A0A087XY85_POEFO Loading...

Phospholipase ABHD3

Phospholipase that may play a role in phospholipids remodeling. May selectively cleave myristate (C14)-containing phosphatidylcholines through its predominant phospholipase 1 activity, cleaving preferentially acyl groups in sn1 position. In parallel, may have a minor phospholipase 2 activity acting on acyl groups in position sn2. In addition to (C14)-containing phosphatidylcholines, may also act on other medium-chain-containing and oxidatively truncated phospholipids.

AlphaFold DB , UniProt , Accession A0A087XY85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 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	43.6	Very low	49	Very low	237 Å²	237	135.2 Å²	135.2	100%	1.167	71%	0.706	S	S	*	*				0	94.9	0	-160.5	177.9	92.3	0	0	108.2
2	I	37.3	Very low	50	Low	160 Å²	160	130.7 Å²	130.7	82%	0.821	69%	0.689	S	S	*	*			trans	-139.4	103.4	157.5	-62.2	-179.5	0	0	0	104
3	S	36.8	Very low	51.3	Low	97 Å²	97	133.2 Å²	133.2	68%	0.678	68%	0.683	S	S	*	*			trans	-79.8	122.1	173.7	-171.3	0	0	0	0	107.6	D5	S3-D5 PolarHBondContact O-N 3.44Å
4	L	45.8	Very low	52.2	Low	154 Å²	154	130.1 Å²	130.1	81%	0.806	67%	0.669	S	S	*	*			trans	-85	96.6	165	-101.1	117.7	0	0	0	107.3	L6	L4-L6 PolarHBondContact O-N 2.95Å; L4-L6 VanDerWaalsContact O-N 3.1Å
5	D	48.2	Very low	52.6	Low	142 Å²	142	128.8 Å²	128.8	76%	0.759	66%	0.663	S	S	*	*			trans	-69.6	101.4	167.6	-80.4	-20.4	0	0	0	108.8	S3 N7	S3-D5 PolarHBondContact O-N 3.44Å; D5-N7 PolarHBondContact O-N 2.74Å
6	L	49.3	Very low	53.2	Low	132 Å²	132	124.9 Å²	124.9	69%	0.691	65%	0.65	S	S	*	*			trans	-70.8	97.1	169.7	-133.4	91	0	0	0	108.1	L4 F8	L4-L6 PolarHBondContact O-N 2.95Å; L4-L6 VanDerWaalsContact O-N 3.1Å; L6-F8 PolarHBondContact O-N 2.9Å
7	N	53.8	Low	53.8	Low	89 Å²	89	123.5 Å²	123.5	48%	0.476	64%	0.639	S	S	.	*			trans	-73.3	93.7	-177.2	-162.2	-15	0	0	0	110	D5 N9 I10	D5-N7 PolarHBondContact O-N 2.74Å; N7-N9 PolarHBondContact O-N 3.22Å; N7-I10 HydrophobicContact CB-CD1 3.89Å; N7-I10 HydrophobicContact CB-CG1 4.05Å; N7-I10 WeakPolarHBondContact O-CB 3.4Å; N7-I10 PolarHBondContact O-N 2.83Å
8	F	51.8	Low	54.2	Low	149 Å²	149	124.8 Å²	124.8	65%	0.654	64%	0.636	S	S	*	*	H	α-helix	trans	-51.6	-28.9	-179.4	-100.8	-94.1	0	0	0	113.5	L6 I10 L11 T12	L6-F8 PolarHBondContact O-N 2.9Å; F8-I10 VanDerWaalsContact C-N 3.29Å; F8-I10 PolarHBondContact O-N 3.46Å; F8-L11 PolarHBondContact O-N 3.15Å; F8-T12 PolarHBondContact O-N 3.46Å; F8-T12 PolarHBondContact O-OG1 3Å; F8-T12 VanDerWaalsContact O-OG1 3.05Å
9	N	55	Low	54.5	Low	124 Å²	124	123.2 Å²	123.2	66%	0.663	63%	0.629	S	S	*	*	H	α-helix	trans	-66.2	-28.9	177.3	-72.5	-32.5	0	0	0	113.3	N7 T12 R13	N7-N9 PolarHBondContact O-N 3.22Å; N9-T12 WeakPolarHBondContact CA-OG1 3.41Å; N9-T12 PolarHBondContact O-OG1 2.92Å; N9-T12 VanDerWaalsContact O-OG1 3.07Å; N9-R13 VanDerWaalsContact O-CB 3.32Å; N9-R13 WeakPolarHBondContact O-CB 3.4Å; N9-R13 PolarHBondContact O-N 3.21Å
10	I	61.2	Low	54.7	Low	88 Å²	88	122.3 Å²	122.3	45%	0.451	62%	0.622	S	S	.	*	H	α-helix	trans	-73.6	-44.5	175.8	-59.8	179.6	0	0	0	109.3	N7 F8 T12 R13 D14	N7-I10 HydrophobicContact CB-CD1 3.89Å; N7-I10 HydrophobicContact CB-CG1 4.05Å; N7-I10 WeakPolarHBondContact O-CB 3.4Å; N7-I10 PolarHBondContact O-N 2.83Å; F8-I10 VanDerWaalsContact C-N 3.29Å; F8-I10 PolarHBondContact O-N 3.46Å; I10-T12 PolarHBondContact O-N 3.43Å; I10-R13 PolarHBondContact O-N 3.34Å; I10-D14 WeakPolarHBondContact O-CB 2.96Å; I10-D14 PolarHBondContact O-N 2.7Å
11	L	55.9	Low	54.8	Low	115 Å²	115	120.9 Å²	120.9	60%	0.602	62%	0.616	S	S	*	*	H	α-helix	trans	-62.3	-41.5	179.1	-154.3	87.3	0	0	0	112	F8 L15	F8-L11 PolarHBondContact O-N 3.15Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.32Å; L11-L15 PolarHBondContact O-N 3.27Å
12	T	60.8	Low	55.3	Low	81 Å²	81	114.5 Å²	114.5	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-68.7	-34.7	176	46.5	0	0	0	0	112.6	F8 N9 I10 S16	F8-T12 PolarHBondContact O-N 3.46Å; F8-T12 PolarHBondContact O-OG1 3Å; F8-T12 VanDerWaalsContact O-OG1 3.05Å; N9-T12 WeakPolarHBondContact CA-OG1 3.41Å; N9-T12 PolarHBondContact O-OG1 2.92Å; N9-T12 VanDerWaalsContact O-OG1 3.07Å; I10-T12 PolarHBondContact O-N 3.43Å; T12-S16 VanDerWaalsContact O-CB 3.25Å; T12-S16 WeakPolarHBondContact O-CB 3.43Å; T12-S16 PolarHBondContact O-N 2.68Å
13	R	66.7	Low	56	Low	164 Å²	164	112.4 Å²	112.4	62%	0.619	58%	0.578	S	S	*	*	H	α-helix	trans	-72.6	-39.5	178.3	-160.4	-179.7	76.1	175.2	5.6	111.5	N9 I10 S16 H17	N9-R13 VanDerWaalsContact O-CB 3.32Å; N9-R13 WeakPolarHBondContact O-CB 3.4Å; N9-R13 PolarHBondContact O-N 3.21Å; I10-R13 PolarHBondContact O-N 3.34Å; R13-S16 PolarHBondContact O-N 3.28Å; R13-H17 WeakPolarHBondContact O-CB 3.08Å; R13-H17 PolarHBondContact O-N 3.17Å
14	D	65	Low	56.7	Low	90 Å²	90	115.6 Å²	115.6	48%	0.481	58%	0.579	S	S	.	*	H	α-helix	trans	-71.2	-37.4	176.9	-71.2	-17.6	0	0	0	111.8	I10 H17 Y18	I10-D14 WeakPolarHBondContact O-CB 2.96Å; I10-D14 PolarHBondContact O-N 2.7Å; D14-H17 PolarHBondContact O-N 3Å; D14-Y18 VanDerWaalsContact O-CB 3.25Å; D14-Y18 WeakPolarHBondContact O-CB 3.41Å; D14-Y18 PolarHBondContact O-N 2.94Å
15	L	58.3	Low	57.2	Low	110 Å²	110	111.4 Å²	111.4	58%	0.576	56%	0.56	S	S	*	*	H	α-helix	trans	-66.5	-40.3	172.8	-165.8	74.7	0	0	0	111.7	L11 Y18 L19	L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.32Å; L11-L15 PolarHBondContact O-N 3.27Å; L15-Y18 PolarHBondContact O-N 3.23Å; L15-L19 HydrophobicContact CG-CD1 4.18Å; L15-L19 WeakPolarHBondContact O-CB 3.1Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.21Å; L15-L19 PolarHBondContact O-N 2.8Å
16	S	61.6	Low	57.4	Low	66 Å²	66	106.5 Å²	106.5	46%	0.462	54%	0.543	S	S	.	.	H	α-helix	trans	-64.1	-42.5	174.5	-168.8	0	0	0	0	111.6	T12 R13 L19 E20	T12-S16 VanDerWaalsContact O-CB 3.25Å; T12-S16 WeakPolarHBondContact O-CB 3.43Å; T12-S16 PolarHBondContact O-N 2.68Å; R13-S16 PolarHBondContact O-N 3.28Å; S16-L19 PolarHBondContact O-N 3.3Å; S16-E20 WeakPolarHBondContact O-CB 3.22Å; S16-E20 PolarHBondContact O-N 3.18Å
17	H	62.9	Low	57.6	Low	101 Å²	101	106 Å²	106	47%	0.468	54%	0.54	S	S	.	.	H	α-helix	trans	-66.8	-37.4	175	-104.7	-59.4	0	0	0	112.8	R13 D14 N21	R13-H17 WeakPolarHBondContact O-CB 3.08Å; R13-H17 PolarHBondContact O-N 3.17Å; D14-H17 PolarHBondContact O-N 3Å; H17-N21 WeakPolarHBondContact O-CB 3.39Å; H17-N21 PolarHBondContact O-N 3.13Å
18	Y	61.9	Low	57.4	Low	147 Å²	147	109.2 Å²	109.2	58%	0.576	55%	0.55	S	S	*	*	H	α-helix	trans	-65.6	-45.2	175.8	-176.1	-95	0	0	0	111.5	D14 L15 N21 Q22	D14-Y18 VanDerWaalsContact O-CB 3.25Å; D14-Y18 WeakPolarHBondContact O-CB 3.41Å; D14-Y18 PolarHBondContact O-N 2.94Å; L15-Y18 PolarHBondContact O-N 3.23Å; Y18-N21 PolarHBondContact O-N 2.96Å; Y18-Q22 HydrophobicContact CD1-CG 4.47Å; Y18-Q22 HydrophobicContact CE1-CG 4.15Å; Y18-Q22 WeakPolarHBondContact O-CG 3.19Å; Y18-Q22 PolarHBondContact O-N 3.44Å
19	L	58.7	Low	57.5	Low	95 Å²	95	104.9 Å²	104.9	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-67	-42.4	175.9	-71.5	168.7	0	0	0	111.6	L15 S16 N21 Q22 V23	L15-L19 HydrophobicContact CG-CD1 4.18Å; L15-L19 WeakPolarHBondContact O-CB 3.1Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.21Å; L15-L19 PolarHBondContact O-N 2.8Å; S16-L19 PolarHBondContact O-N 3.3Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 3.29Å; L19-Q22 PolarHBondContact O-N 3.11Å; L19-V23 VanDerWaalsContact O-CB 3.26Å; L19-V23 WeakPolarHBondContact O-CB 3.21Å; L19-V23 WeakPolarHBondContact O-CG2 3.4Å; L19-V23 PolarHBondContact O-N 2.93Å
20	E	59.7	Low	58	Low	104 Å²	104	101.4 Å²	101.4	49%	0.486	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-36.8	174.7	-85.7	-170.5	145.5	0	0	113	S16 K24	S16-E20 WeakPolarHBondContact O-CB 3.22Å; S16-E20 PolarHBondContact O-N 3.18Å; E20-K24 WeakPolarHBondContact O-CB 3.45Å; E20-K24 WeakPolarHBondContact O-CG 3.5Å; E20-K24 PolarHBondContact O-N 3.41Å
21	N	57.1	Low	58	Low	94 Å²	94	99 Å²	99	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-72.4	-37.5	177	-82.9	-17.7	0	0	0	112.6	H17 Y18 L19 V25	H17-N21 WeakPolarHBondContact O-CB 3.39Å; H17-N21 PolarHBondContact O-N 3.13Å; Y18-N21 PolarHBondContact O-N 2.96Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 3.29Å; N21-V25 PolarHBondContact O-N 2.98Å
22	Q	53.7	Low	58.6	Low	103 Å²	103	97.5 Å²	97.5	48%	0.481	53%	0.525	S	S	.	.	H	α-helix	trans	-71.9	-32	173.6	-72.2	-69.5	-32.5	0	0	112.2	Y18 L19 V25	Y18-Q22 HydrophobicContact CD1-CG 4.47Å; Y18-Q22 HydrophobicContact CE1-CG 4.15Å; Y18-Q22 WeakPolarHBondContact O-CG 3.19Å; Y18-Q22 PolarHBondContact O-N 3.44Å; L19-Q22 PolarHBondContact O-N 3.11Å; Q22-V25 CarbonylContact O-C 3.39Å
23	V	52.7	Low	59.3	Low	116 Å²	116	93.7 Å²	93.7	70%	0.703	50%	0.502	S	S	*	.	H	α-helix	trans	-73.8	-31.7	176	171.5	0	0	0	0	111.6	L19	L19-V23 VanDerWaalsContact O-CB 3.26Å; L19-V23 WeakPolarHBondContact O-CB 3.21Å; L19-V23 WeakPolarHBondContact O-CG2 3.4Å; L19-V23 PolarHBondContact O-N 2.93Å
24	K	50.9	Low	59.8	Low	163 Å²	163	90.6 Å²	90.6	71%	0.709	50%	0.497	S	S	*	.	H	α-helix	trans	-68.1	-32.9	173.7	-83.9	177.1	-179.5	171.6	0	113.3	E20 G26	E20-K24 WeakPolarHBondContact O-CB 3.45Å; E20-K24 WeakPolarHBondContact O-CG 3.5Å; E20-K24 PolarHBondContact O-N 3.41Å; K24-G26 PolarHBondContact O-N 3.38Å
25	V	55.2	Low	60.6	Low	67 Å²	67	90 Å²	90	41%	0.406	50%	0.501	S	S	.	.	S	Bend	trans	-96.8	72.4	172.8	-171.9	0	0	0	0	107	N21 Q22 G29	N21-V25 PolarHBondContact O-N 2.98Å; Q22-V25 CarbonylContact O-C 3.39Å; V25-G29 VanDerWaalsContact CG1-O 3.25Å; V25-G29 WeakPolarHBondContact CG1-O 3.32Å
26	G	52.3	Low	62	Low	39 Å²	39	89 Å²	89	40%	0.402	50%	0.495	S	S	.	.			trans	-48.1	163.1	-179.6	0	0	0	0	0	112.3	K24 F28 G29	K24-G26 PolarHBondContact O-N 3.38Å; G26-F28 CarbonylContact O-C 3.53Å; G26-F28 PolarHBondContact O-N 3.47Å; G26-G29 WeakPolarHBondContact O-CA 3.5Å; G26-G29 PolarHBondContact O-N 3.34Å
27	L	53.6	Low	63.2	Low	121 Å²	121	89.1 Å²	89.1	63%	0.634	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.7	-31.3	-171.8	-150.2	89.6	0	0	0	115.3	S30 G33	L27-S30 PolarHBondContact O-OG 3.22Å; L27-G33 WeakPolarHBondContact O-CA 3.47Å; L27-G33 PolarHBondContact O-N 3.09Å
28	F	50.3	Low	64.5	Low	156 Å²	156	89.4 Å²	89.4	68%	0.684	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-26.2	176.2	-72.8	-80.2	0	0	0	115.8	G26 V37	G26-F28 CarbonylContact O-C 3.53Å; G26-F28 PolarHBondContact O-N 3.47Å; F28-V37 HydrophobicContact CE1-CG2 4.48Å
29	G	54.7	Low	65.9	Low	59 Å²	59	84.4 Å²	84.4	61%	0.608	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.7	177.8	0	0	0	0	0	114.3	V25 G26	V25-G29 VanDerWaalsContact CG1-O 3.25Å; V25-G29 WeakPolarHBondContact CG1-O 3.32Å; G26-G29 WeakPolarHBondContact O-CA 3.5Å; G26-G29 PolarHBondContact O-N 3.34Å
30	S	64.3	Low	67.5	Low	50 Å²	50	86.9 Å²	86.9	35%	0.35	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2	-175.8	64.2	0	0	0	0	114	L27 V32	L27-S30 PolarHBondContact O-OG 3.22Å; S30-V32 PolarHBondContact O-N 3.45Å
31	G	61.3	Low	69.1	Low	37 Å²	37	84.8 Å²	84.8	38%	0.381	49%	0.494	S	S	.	.	S	Bend	trans	71	-16.5	-173	0	0	0	0	0	114.8	S35	G31-S35 PolarHBondContact O-N 3.45Å; G31-S35 VanDerWaalsContact O-N 3.11Å; G31-S35 PolarHBondContact O-OG 2.87Å
32	V	69.6	Low	70.8	Confident	84 Å²	84	83 Å²	83	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-69.2	-43	176.8	-179.7	0	0	0	0	111	S30 L34 S35 L36	S30-V32 PolarHBondContact O-N 3.45Å; V32-L34 VanDerWaalsContact C-N 3.35Å; V32-L34 PolarHBondContact O-N 3.36Å; V32-S35 PolarHBondContact O-N 3.4Å; V32-L36 HydrophobicContact CG1-CD1 4.12Å; V32-L36 HydrophobicContact CG1-CG 4.47Å; V32-L36 WeakPolarHBondContact O-CG 3.25Å; V32-L36 PolarHBondContact O-N 2.91Å
33	G	74.5	Confident	72.8	Confident	1 Å²	1	81 Å²	81	1%	0.01	49%	0.493	C	S	.	.	H	α-helix	trans	-62.8	-39.6	176.7	0	0	0	0	0	112.9	L27 L36 V37	L27-G33 WeakPolarHBondContact O-CA 3.47Å; L27-G33 PolarHBondContact O-N 3.09Å; G33-L36 PolarHBondContact O-N 3.15Å; G33-V37 WeakPolarHBondContact O-CB 3.16Å; G33-V37 WeakPolarHBondContact O-CG2 3.3Å; G33-V37 PolarHBondContact O-N 3.18Å
34	L	77.9	Confident	74.8	Confident	99 Å²	99	79 Å²	79	52%	0.518	47%	0.474	S	S	.	.	H	α-helix	trans	-65.8	-43.8	176.1	-174.7	64.9	0	0	0	111.3	V32 L36 V37 L38	V32-L34 VanDerWaalsContact C-N 3.35Å; V32-L34 PolarHBondContact O-N 3.36Å; L34-L36 PolarHBondContact O-N 3.34Å; L34-V37 PolarHBondContact O-N 3.31Å; L34-L38 HydrophobicContact CD1-CD1 4.4Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 2.87Å; L34-L38 PolarHBondContact O-N 3.41Å
35	S	81.9	Confident	76.9	Confident	79 Å²	79	74 Å²	74	55%	0.552	46%	0.457	S	S	*	.	H	α-helix	trans	-62.1	-41.3	177	-59.3	0	0	0	0	112.5	G31 V32 G39	G31-S35 PolarHBondContact O-N 3.45Å; G31-S35 VanDerWaalsContact O-N 3.11Å; G31-S35 PolarHBondContact O-OG 2.87Å; V32-S35 PolarHBondContact O-N 3.4Å; S35-G39 PolarHBondContact O-N 3.34Å
36	L	86.3	Confident	78.8	Confident	88 Å²	88	74.2 Å²	74.2	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-46.8	175.6	-73.8	171.6	0	0	0	111.6	V32 G33 L34 L38 G39 F40	V32-L36 HydrophobicContact CG1-CD1 4.12Å; V32-L36 HydrophobicContact CG1-CG 4.47Å; V32-L36 WeakPolarHBondContact O-CG 3.25Å; V32-L36 PolarHBondContact O-N 2.91Å; G33-L36 PolarHBondContact O-N 3.15Å; L34-L36 PolarHBondContact O-N 3.34Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 2.96Å; L36-G39 PolarHBondContact O-N 2.99Å; L36-F40 HydrophobicContact CB-CD2 4.43Å; L36-F40 HydrophobicContact CB-CE2 4.43Å; L36-F40 HydrophobicContact CD2-CE2 4.29Å; L36-F40 WeakPolarHBondContact O-CD2 3.37Å; L36-F40 PolarHBondContact O-N 3.14Å
37	V	87.5	Confident	80.9	Confident	69 Å²	69	77.1 Å²	77.1	42%	0.418	46%	0.46	S	S	.	.	H	α-helix	trans	-58.7	-45.4	177.3	170.4	0	0	0	0	110.7	F28 G33 L34 S41	F28-V37 HydrophobicContact CE1-CG2 4.48Å; G33-V37 WeakPolarHBondContact O-CB 3.16Å; G33-V37 WeakPolarHBondContact O-CG2 3.3Å; G33-V37 PolarHBondContact O-N 3.18Å; L34-V37 PolarHBondContact O-N 3.31Å; V37-S41 WeakPolarHBondContact O-CB 3.43Å; V37-S41 PolarHBondContact O-N 3.28Å; V37-S41 PolarHBondContact O-OG 3.26Å
38	L	90.4	Very high	82.9	Confident	107 Å²	107	72.1 Å²	72.1	56%	0.56	43%	0.433	S	S	*	.	H	α-helix	trans	-64.6	-43.5	177.2	-69.9	168.7	0	0	0	111.7	L34 L36 S41 A42	L34-L38 HydrophobicContact CD1-CD1 4.4Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 2.87Å; L34-L38 PolarHBondContact O-N 3.41Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 2.96Å; L38-S41 PolarHBondContact O-N 3.43Å; L38-A42 VanDerWaalsContact O-CB 3.31Å; L38-A42 WeakPolarHBondContact O-CB 3.27Å; L38-A42 PolarHBondContact O-N 3.04Å
39	G	91.8	Very high	85.1	Confident	41 Å²	41	69.3 Å²	69.3	42%	0.423	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-49.7	177.2	0	0	0	0	0	112.7	S35 L36 A42 A43	S35-G39 PolarHBondContact O-N 3.34Å; L36-G39 PolarHBondContact O-N 2.99Å; G39-A42 PolarHBondContact O-N 2.91Å; G39-A43 VanDerWaalsContact O-CB 3.32Å; G39-A43 WeakPolarHBondContact O-CB 3.35Å; G39-A43 PolarHBondContact O-N 3.28Å
40	F	92.6	Very high	87	Confident	147 Å²	147	72.4 Å²	72.4	65%	0.645	43%	0.426	S	S	*	.	H	α-helix	trans	-64.3	-39.7	175.9	-76.7	-64.1	0	0	0	112.2	L36 A43 Y44	L36-F40 HydrophobicContact CB-CD2 4.43Å; L36-F40 HydrophobicContact CB-CE2 4.43Å; L36-F40 HydrophobicContact CD2-CE2 4.29Å; L36-F40 WeakPolarHBondContact O-CD2 3.37Å; L36-F40 PolarHBondContact O-N 3.14Å; F40-A43 PolarHBondContact O-N 3.34Å; F40-Y44 VanDerWaalsContact O-CB 3.22Å; F40-Y44 WeakPolarHBondContact O-CB 3.43Å; F40-Y44 PolarHBondContact O-N 2.95Å
41	S	91.6	Very high	88.3	Confident	61 Å²	61	71.9 Å²	71.9	43%	0.427	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-42.5	177.6	-60	0	0	0	0	111.6	V37 L38 T45	V37-S41 WeakPolarHBondContact O-CB 3.43Å; V37-S41 PolarHBondContact O-N 3.28Å; V37-S41 PolarHBondContact O-OG 3.26Å; L38-S41 PolarHBondContact O-N 3.43Å; S41-T45 VanDerWaalsContact O-CB 3.3Å; S41-T45 WeakPolarHBondContact O-CB 3.45Å; S41-T45 PolarHBondContact O-N 3.15Å; S41-T45 PolarHBondContact O-OG1 3.39Å
42	A	94.3	Very high	90	Very high	55 Å²	55	70.2 Å²	70.2	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-47.7	175.9	0	0	0	0	0	111.3	L38 G39 Y44 T45 C46	L38-A42 VanDerWaalsContact O-CB 3.31Å; L38-A42 WeakPolarHBondContact O-CB 3.27Å; L38-A42 PolarHBondContact O-N 3.04Å; G39-A42 PolarHBondContact O-N 2.91Å; A42-Y44 VanDerWaalsContact C-N 3.35Å; A42-Y44 PolarHBondContact O-N 3.21Å; A42-T45 PolarHBondContact O-N 3.42Å; A42-C46 WeakPolarHBondContact O-CB 3.5Å; A42-C46 PolarHBondContact O-N 2.94Å; A42-C46 PolarHBondContact O-SG 3.37Å; A42-C46 VanDerWaalsContact O-SG 3.34Å
43	A	95.5	Very high	91.3	Very high	61 Å²	61	66.6 Å²	66.6	50%	0.504	38%	0.384	S	S	.	.	H	α-helix	trans	-59	-44.9	176.4	0	0	0	0	0	112	G39 F40 C46 Y47	G39-A43 VanDerWaalsContact O-CB 3.32Å; G39-A43 WeakPolarHBondContact O-CB 3.35Å; G39-A43 PolarHBondContact O-N 3.28Å; F40-A43 PolarHBondContact O-N 3.34Å; A43-C46 PolarHBondContact O-N 2.74Å; A43-Y47 WeakPolarHBondContact O-CB 3.45Å; A43-Y47 PolarHBondContact O-N 3.49Å
44	Y	94.4	Very high	92.3	Very high	75 Å²	75	70.9 Å²	70.9	29%	0.294	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-42.2	176.8	-177.4	-103.5	0	0	0	112.2	F40 A42 C46 Y47 Y48 F84 W87	F40-Y44 VanDerWaalsContact O-CB 3.22Å; F40-Y44 WeakPolarHBondContact O-CB 3.43Å; F40-Y44 PolarHBondContact O-N 2.95Å; A42-Y44 VanDerWaalsContact C-N 3.35Å; A42-Y44 PolarHBondContact O-N 3.21Å; Y44-C46 PolarHBondContact O-N 3.47Å; Y44-Y47 HydrophobicContact CD2-CD1 4.46Å; Y44-Y47 HydrophobicContact CE2-CD1 4.44Å; Y44-Y47 WeakPolarHBondContact O-CB 3.32Å; Y44-Y47 PolarHBondContact O-N 3.44Å; Y44-Y48 VanDerWaalsContact O-CB 3.3Å; Y44-Y48 WeakPolarHBondContact O-CB 3.44Å; Y44-Y48 PolarHBondContact O-N 2.83Å; Y44-F84 AromaticContact CD1-CE1 3.65Å; Y44-F84 HydrophobicContact CD1-CE1 3.65Å; Y44-F84 AromaticContact CD1-CE2 3.87Å; Y44-F84 HydrophobicContact CD1-CE2 3.87Å; Y44-F84 AromaticContact CD1-CZ 3.27Å; Y44-F84 HydrophobicContact CD1-CZ 3.27Å; Y44-F84 AromaticContact CE1-CD1 3.84Å; Y44-F84 HydrophobicContact CE1-CD1 3.84Å; Y44-F84 HydrophobicContact CE1-CD2 4.05Å; Y44-F84 AromaticContact CE1-CE1 3.38Å; Y44-F84 HydrophobicContact CE1-CE1 3.38Å; Y44-F84 AromaticContact CE1-CE2 3.61Å; Y44-F84 HydrophobicContact CE1-CE2 3.61Å; Y44-F84 HydrophobicContact CE1-CG 4.18Å; Y44-F84 AromaticContact CE1-CZ 3.28Å; Y44-F84 HydrophobicContact CE1-CZ 3.28Å; Y44-F84 PolarHBondContact OH-O 3.2Å; Y44-W87 AromaticContact CZ-NE1 3.91Å; Y44-W87 PolarHBondContact OH-NE1 3.21Å
45	T	94.6	Very high	93.3	Very high	57 Å²	57	72.8 Å²	72.8	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-62.2	-44.2	176.6	-58.7	0	0	0	0	111.1	S41 A42 Y48 L49	S41-T45 VanDerWaalsContact O-CB 3.3Å; S41-T45 WeakPolarHBondContact O-CB 3.45Å; S41-T45 PolarHBondContact O-N 3.15Å; S41-T45 PolarHBondContact O-OG1 3.39Å; A42-T45 PolarHBondContact O-N 3.42Å; T45-Y48 PolarHBondContact O-N 2.95Å; T45-L49 HydrophobicContact CG2-CD1 4Å; T45-L49 HydrophobicContact CG2-CG 4.46Å; T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 WeakPolarHBondContact O-CG 3.21Å; T45-L49 PolarHBondContact O-N 3.45Å
46	C	96.1	Very high	94	Very high	72 Å²	72	69.7 Å²	69.7	49%	0.486	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-47.5	173.8	-72.1	0	0	0	0	111.5	A42 A43 Y44 Y48 L49 I50	A42-C46 WeakPolarHBondContact O-CB 3.5Å; A42-C46 PolarHBondContact O-N 2.94Å; A42-C46 PolarHBondContact O-SG 3.37Å; A42-C46 VanDerWaalsContact O-SG 3.34Å; A43-C46 PolarHBondContact O-N 2.74Å; Y44-C46 PolarHBondContact O-N 3.47Å; C46-Y48 VanDerWaalsContact C-N 3.34Å; C46-Y48 PolarHBondContact O-N 3.38Å; C46-L49 PolarHBondContact O-N 2.96Å; C46-I50 WeakPolarHBondContact O-CB 3.41Å; C46-I50 WeakPolarHBondContact O-CD1 3.15Å; C46-I50 VanDerWaalsContact O-CG1 3.24Å; C46-I50 WeakPolarHBondContact O-CG1 3.38Å; C46-I50 PolarHBondContact O-N 2.84Å
47	Y	95.7	Very high	94.6	Very high	101 Å²	101	71.1 Å²	71.1	40%	0.396	39%	0.388	S	S	.	.	H	α-helix	trans	-57	-48	175.6	169.5	-99.3	0	0	0	111.6	A43 Y44 I50 S51 V52 W87	A43-Y47 WeakPolarHBondContact O-CB 3.45Å; A43-Y47 PolarHBondContact O-N 3.49Å; Y44-Y47 HydrophobicContact CD2-CD1 4.46Å; Y44-Y47 HydrophobicContact CE2-CD1 4.44Å; Y44-Y47 WeakPolarHBondContact O-CB 3.32Å; Y44-Y47 PolarHBondContact O-N 3.44Å; Y47-I50 PolarHBondContact O-N 2.93Å; Y47-S51 WeakPolarHBondContact O-CA 3.35Å; Y47-S51 WeakPolarHBondContact O-CB 3.49Å; Y47-S51 PolarHBondContact O-N 2.83Å; Y47-S51 PolarHBondContact O-OG 2.92Å; Y47-V52 HydrophobicContact CD1-CG2 4.2Å; Y47-V52 HydrophobicContact CE1-CG2 3.62Å; Y47-W87 HydrophobicContact CE1-CH2 4.29Å; Y47-W87 AromaticContact CE1-CZ2 3.88Å; Y47-W87 HydrophobicContact CE1-CZ2 3.88Å
48	Y	96.2	Very high	95.1	Very high	16 Å²	16	68.8 Å²	68.8	6%	0.063	37%	0.373	C	S	.	.	I	π-helix	trans	-59.7	-49.9	-179.7	175.7	-91.7	0	0	0	111.4	Y44 T45 C46 I50 V52 A53 Y81 P82 F84	Y44-Y48 VanDerWaalsContact O-CB 3.3Å; Y44-Y48 WeakPolarHBondContact O-CB 3.44Å; Y44-Y48 PolarHBondContact O-N 2.83Å; T45-Y48 PolarHBondContact O-N 2.95Å; C46-Y48 VanDerWaalsContact C-N 3.34Å; C46-Y48 PolarHBondContact O-N 3.38Å; Y48-I50 VanDerWaalsContact C-N 3.33Å; Y48-I50 PolarHBondContact O-N 3.24Å; Y48-V52 HydrophobicContact CD2-CB 3.83Å; Y48-V52 HydrophobicContact CD2-CG1 3.76Å; Y48-V52 HydrophobicContact CD2-CG2 4.33Å; Y48-V52 HydrophobicContact CE2-CB 4.23Å; Y48-V52 HydrophobicContact CE2-CG1 3.73Å; Y48-V52 HydrophobicContact CG-CB 4.37Å; Y48-V52 WeakPolarHBondContact O-CA 3.47Å; Y48-V52 WeakPolarHBondContact O-CB 3.33Å; Y48-V52 PolarHBondContact O-N 2.89Å; Y48-A53 HydrophobicContact CD1-CB 4.37Å; Y48-A53 HydrophobicContact CE1-CB 3.92Å; Y48-A53 PolarHBondContact O-N 3.26Å; Y48-Y81 HydrophobicContact CE1-CD1 4.2Å; Y48-P82 VanDerWaalsContact CE2-O 3.27Å; Y48-P82 WeakPolarHBondContact CE2-O 3.43Å; Y48-P82 VanDerWaalsContact CZ-O 3.31Å; Y48-P82 PolarHBondContact OH-O 3.02Å; Y48-F84 AromaticContact CD1-CD2 3.85Å; Y48-F84 HydrophobicContact CD1-CD2 3.85Å; Y48-F84 HydrophobicContact CD1-CE2 4.03Å; Y48-F84 AromaticContact CD2-CD2 3.8Å; Y48-F84 HydrophobicContact CD2-CD2 3.8Å; Y48-F84 HydrophobicContact CD2-CE2 4.32Å; Y48-F84 HydrophobicContact CE1-CD2 4.03Å; Y48-F84 AromaticContact CE2-CD2 3.99Å; Y48-F84 HydrophobicContact CE2-CD2 3.99Å; Y48-F84 AromaticContact CG-CD2 3.74Å; Y48-F84 HydrophobicContact CG-CD2 3.74Å; Y48-F84 AromaticContact CG-CE2 3.87Å; Y48-F84 HydrophobicContact CG-CE2 3.87Å
49	L	95.5	Very high	95.5	Very high	96 Å²	96	64.4 Å²	64.4	50%	0.503	35%	0.351	S	S	.	.	I	π-helix	trans	-68.5	-29.5	-178.3	-68	174.7	0	0	0	113.6	T45 C46 Y81	T45-L49 HydrophobicContact CG2-CD1 4Å; T45-L49 HydrophobicContact CG2-CG 4.46Å; T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 WeakPolarHBondContact O-CG 3.21Å; T45-L49 PolarHBondContact O-N 3.45Å; C46-L49 PolarHBondContact O-N 2.96Å; L49-Y81 HydrophobicContact CD2-CE1 4.35Å
50	I	94.3	Very high	95.8	Very high	124 Å²	124	63.6 Å²	63.6	64%	0.636	34%	0.338	S	S	*	.	I	π-helix	trans	-89.5	-38.2	-177.9	-65.5	168.9	0	0	0	111.7	C46 Y47 Y48 K54	C46-I50 WeakPolarHBondContact O-CB 3.41Å; C46-I50 WeakPolarHBondContact O-CD1 3.15Å; C46-I50 VanDerWaalsContact O-CG1 3.24Å; C46-I50 WeakPolarHBondContact O-CG1 3.38Å; C46-I50 PolarHBondContact O-N 2.84Å; Y47-I50 PolarHBondContact O-N 2.93Å; Y48-I50 VanDerWaalsContact C-N 3.33Å; Y48-I50 PolarHBondContact O-N 3.24Å; I50-K54 VanDerWaalsContact O-CE 3.25Å; I50-K54 WeakPolarHBondContact O-CE 3.48Å
51	S	93.4	Very high	95.9	Very high	39 Å²	39	57.7 Å²	57.7	27%	0.273	32%	0.319	S	S	.	.	I	π-helix	trans	-109.5	-33.5	-166.3	-54	0	0	0	0	113.7	Y47 K54	Y47-S51 WeakPolarHBondContact O-CA 3.35Å; Y47-S51 WeakPolarHBondContact O-CB 3.49Å; Y47-S51 PolarHBondContact O-N 2.83Å; Y47-S51 PolarHBondContact O-OG 2.92Å; S51-K54 WeakPolarHBondContact O-CE 3.39Å; S51-K54 PolarHBondContact O-NZ 2.92Å
52	V	95.3	Very high	96	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	30%	0.304	C	S	.	.	I	π-helix	trans	-100.5	-54	-171.6	179.2	0	0	0	0	111.5	Y47 Y48 K54 P82 W87	Y47-V52 HydrophobicContact CD1-CG2 4.2Å; Y47-V52 HydrophobicContact CE1-CG2 3.62Å; Y48-V52 HydrophobicContact CD2-CB 3.83Å; Y48-V52 HydrophobicContact CD2-CG1 3.76Å; Y48-V52 HydrophobicContact CD2-CG2 4.33Å; Y48-V52 HydrophobicContact CE2-CB 4.23Å; Y48-V52 HydrophobicContact CE2-CG1 3.73Å; Y48-V52 HydrophobicContact CG-CB 4.37Å; Y48-V52 WeakPolarHBondContact O-CA 3.47Å; Y48-V52 WeakPolarHBondContact O-CB 3.33Å; Y48-V52 PolarHBondContact O-N 2.89Å; V52-K54 PolarHBondContact O-N 3.15Å; V52-K54 VanDerWaalsContact O-N 3.07Å; V52-P82 HydrophobicContact CG1-CB 4Å; V52-P82 HydrophobicContact CG1-CG 3.75Å; V52-W87 HydrophobicContact CG1-CB 3.7Å; V52-W87 HydrophobicContact CG1-CD2 4.2Å; V52-W87 HydrophobicContact CG1-CG 3.78Å; V52-W87 HydrophobicContact CG2-CD2 4.11Å; V52-W87 HydrophobicContact CG2-CE3 4.4Å; V52-W87 HydrophobicContact CG2-CG 4.41Å
53	A	96.6	Very high	96.1	Very high	9 Å²	9	61 Å²	61	7%	0.074	32%	0.319	C	S	.	.	S	Bend	trans	-78.1	93.1	-179.2	0	0	0	0	0	110.6	Y48 T79 Y80 Y81	Y48-A53 HydrophobicContact CD1-CB 4.37Å; Y48-A53 HydrophobicContact CE1-CB 3.92Å; Y48-A53 PolarHBondContact O-N 3.26Å; A53-T79 HydrophobicContact CB-CG2 4.17Å; A53-Y80 WeakPolarHBondContact CA-O 3.19Å; A53-Y81 HydrophobicContact CB-CD1 3.53Å; A53-Y81 HydrophobicContact CB-CE1 3.75Å; A53-Y81 HydrophobicContact CB-CG 4.36Å
54	K	97.4	Very high	96.1	Very high	90 Å²	90	63 Å²	63	39%	0.391	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-125.6	152.2	-175.2	-72.8	-179.3	173.2	166.7	0	111.6	I50 S51 V52 Y80 C371	I50-K54 VanDerWaalsContact O-CE 3.25Å; I50-K54 WeakPolarHBondContact O-CE 3.48Å; S51-K54 WeakPolarHBondContact O-CE 3.39Å; S51-K54 PolarHBondContact O-NZ 2.92Å; V52-K54 PolarHBondContact O-N 3.15Å; V52-K54 VanDerWaalsContact O-N 3.07Å; K54-Y80 PolarHBondContact N-O 3.38Å; K54-Y80 PolarHBondContact O-N 3.16Å; K54-C371 HydrophobicContact CD-CB 4.45Å; K54-C371 VanDerWaalsContact CD-SG 3.51Å
55	K	97.4	Very high	96.3	Very high	140 Å²	140	59.4 Å²	59.4	61%	0.609	30%	0.302	S	S	*	.			trans	-66.4	138	166.4	-68.1	-176.9	177.1	-176.4	0	109	S77	K55-S77 WeakPolarHBondContact CD-O 3.43Å
56	P	97.9	Very high	96.4	Very high	13 Å²	13	60.7 Å²	60.7	8%	0.084	30%	0.301	C	S	.	.			trans	-66.7	153.8	173.4	34.9	-40.9	0	0	0	110.3	E78 L368 I369 T370 Y389	P56-E78 WeakPolarHBondContact CD-O 3.4Å; P56-L368 HydrophobicContact CB-CD1 3.55Å; P56-L368 HydrophobicContact CB-CG 3.91Å; P56-L368 HydrophobicContact CG-CD1 3.57Å; P56-L368 HydrophobicContact CG-CG 4.25Å; P56-I369 CarbonylContact C-O 3.55Å; P56-I369 VanDerWaalsContact CA-O 3.23Å; P56-I369 WeakPolarHBondContact CA-O 3.3Å; P56-I369 WeakPolarHBondContact CB-O 3.36Å; P56-T370 HydrophobicContact CB-CG2 4.03Å; P56-Y389 WeakPolarHBondContact CG-OH 3.36Å
57	Q	98.3	Very high	96.5	Very high	118 Å²	118	61.5 Å²	61.5	55%	0.551	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.8	170.6	-170.4	-178.6	14.3	0	0	109.2	I59 L368 I369	Q57-I59 HydrophobicContact CG-CD1 4.21Å; Q57-I59 HydrophobicContact CG-CG1 3.93Å; Q57-L368 WeakPolarHBondContact O-CA 3.49Å; Q57-I369 HydrophobicContact CB-CB 4.35Å; Q57-I369 PolarHBondContact N-O 3.32Å; Q57-I369 PolarHBondContact O-N 3.48Å
58	L	98.6	Very high	96.6	Very high	20 Å²	20	57 Å²	57	11%	0.105	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.5	170.3	-179.9	65.5	0	0	0	110	Y66 L69 K70 V76 A366 L368	L58-Y66 HydrophobicContact CB-CE2 4.2Å; L58-Y66 HydrophobicContact CD2-CD2 3.75Å; L58-Y66 HydrophobicContact CD2-CE2 3.64Å; L58-Y66 HydrophobicContact CD2-CG 4.43Å; L58-Y66 HydrophobicContact CG-CD2 3.95Å; L58-Y66 HydrophobicContact CG-CE2 3.8Å; L58-L69 HydrophobicContact CD1-CD1 4.02Å; L58-L69 HydrophobicContact CD2-CB 4.29Å; L58-K70 HydrophobicContact CD2-CD 4.27Å; L58-K70 HydrophobicContact CD2-CG 4.34Å; L58-V76 HydrophobicContact CD2-CB 4.32Å; L58-V76 HydrophobicContact CD2-CG2 3.82Å; L58-A366 HydrophobicContact CD1-CB 4.4Å; L58-L368 HydrophobicContact CB-CD1 4.16Å; L58-L368 HydrophobicContact CD1-CD1 4.23Å
59	I	98.3	Very high	96.7	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.082	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.3	176.3	-52.9	176.7	0	0	0	107	Q57 V356 V359 K360 A366 L367 I369	Q57-I59 HydrophobicContact CG-CD1 4.21Å; Q57-I59 HydrophobicContact CG-CG1 3.93Å; I59-V356 HydrophobicContact CD1-CB 4.5Å; I59-V356 HydrophobicContact CD1-CG1 3.77Å; I59-V356 HydrophobicContact CD1-CG2 4.03Å; I59-V359 HydrophobicContact CG2-CG1 4.45Å; I59-K360 HydrophobicContact CG2-CG 3.82Å; I59-A366 CarbonylContact O-C 3.59Å; I59-A366 VanDerWaalsContact O-CA 3.25Å; I59-A366 WeakPolarHBondContact O-CA 3.41Å; I59-L367 HydrophobicContact CB-CB 4.42Å; I59-L367 PolarHBondContact N-O 2.82Å; I59-L367 PolarHBondContact O-N 2.91Å; I59-I369 HydrophobicContact CD1-CD1 4.01Å
60	S	97.4	Very high	96.8	Very high	23 Å²	23	54.7 Å²	54.7	16%	0.161	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.7	174	179.5	0	0	0	0	109.9	G62 L365	S60-G62 PolarHBondContact OG-N 3.14Å; S60-G62 PolarHBondContact OG-O 3.14Å; S60-L365 WeakPolarHBondContact CA-O 3.37Å; S60-L365 PolarHBondContact OG-O 3.02Å
61	G	95.6	Very high	96.9	Very high	24 Å²	24	53.6 Å²	53.6	25%	0.247	26%	0.258	C	S	.	.	S	Bend	trans	-76.9	-9.8	173.2	0	0	0	0	0	114	V359 K360 N362 L365	G61-V359 WeakPolarHBondContact CA-O 3.5Å; G61-V359 PolarHBondContact N-O 3.2Å; G61-K360 VanDerWaalsContact CA-O 3.28Å; G61-K360 WeakPolarHBondContact CA-O 3.5Å; G61-N362 WeakPolarHBondContact CA-O 3.42Å; G61-L365 PolarHBondContact N-O 3.17Å; G61-L365 VanDerWaalsContact N-O 3.11Å
62	G	94.4	Very high	97.1	Very high	11 Å²	11	54.6 Å²	54.6	11%	0.113	26%	0.259	C	S	.	.			trans	-134.6	128.7	-175.2	0	0	0	0	0	112.4	S60 K64 F65 Y66	S60-G62 PolarHBondContact OG-N 3.14Å; S60-G62 PolarHBondContact OG-O 3.14Å; G62-K64 PolarHBondContact O-N 2.79Å; G62-F65 PolarHBondContact O-N 2.9Å; G62-Y66 WeakPolarHBondContact O-CB 3.3Å; G62-Y66 PolarHBondContact O-N 3.5Å
63	K	95.4	Very high	97.2	Very high	175 Å²	175	54.5 Å²	54.5	76%	0.761	26%	0.258	S	S	*	.	H	α-helix	trans	-59.1	-36.2	178.8	-173.5	177.7	179.9	-178.8	0	112.4	Q67	K63-Q67 WeakPolarHBondContact O-CG 3.34Å; K63-Q67 PolarHBondContact O-N 3.46Å
64	K	96.4	Very high	97.3	Very high	101 Å²	101	57 Å²	57	44%	0.439	27%	0.273	S	S	.	.	H	α-helix	trans	-67.2	-45.7	179.9	-171.4	172.7	177.3	-165.7	0	111.7	G62 Q67 F68 R407 K409 L411	G62-K64 PolarHBondContact O-N 2.79Å; K64-Q67 PolarHBondContact O-N 3.25Å; K64-F68 WeakPolarHBondContact O-CB 3.43Å; K64-F68 PolarHBondContact O-N 3.08Å; K64-R407 WeakPolarHBondContact CE-O 3.43Å; K64-R407 PolarHBondContact NZ-O 3.48Å; K64-K409 PolarHBondContact NZ-O 3.41Å; K64-L411 HydrophobicContact CB-CD2 3.97Å; K64-L411 HydrophobicContact CD-CD2 3.98Å; K64-L411 HydrophobicContact CG-CD2 3.89Å
65	F	97.3	Very high	97.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-38.5	177.4	-169.6	-152.7	0	0	0	111.7	G62 Q67 F68 L69 P337 N364 A366 F397 L408 L411	G62-F65 PolarHBondContact O-N 2.9Å; F65-Q67 PolarHBondContact O-N 2.84Å; F65-F68 HydrophobicContact CD2-CD1 4.22Å; F65-F68 HydrophobicContact CE2-CD1 4.26Å; F65-F68 WeakPolarHBondContact O-CB 3.41Å; F65-F68 PolarHBondContact O-N 3.25Å; F65-L69 HydrophobicContact CD2-CD1 4.2Å; F65-L69 HydrophobicContact CD2-CG 4.03Å; F65-L69 HydrophobicContact CE1-CD1 4.31Å; F65-L69 HydrophobicContact CE2-CD1 3.99Å; F65-L69 HydrophobicContact CE2-CD2 3.89Å; F65-L69 HydrophobicContact CE2-CG 3.82Å; F65-L69 HydrophobicContact CG-CD1 4.46Å; F65-L69 HydrophobicContact CZ-CD1 4.05Å; F65-L69 HydrophobicContact CZ-CD2 4.3Å; F65-L69 HydrophobicContact CZ-CG 4.33Å; F65-L69 WeakPolarHBondContact O-CG 3.44Å; F65-L69 PolarHBondContact O-N 3.3Å; F65-P337 HydrophobicContact CE1-CB 4.45Å; F65-P337 HydrophobicContact CE2-CB 3.95Å; F65-P337 HydrophobicContact CZ-CB 3.89Å; F65-N364 VanDerWaalsContact CE1-O 3.28Å; F65-N364 WeakPolarHBondContact CE1-O 3.3Å; F65-A366 HydrophobicContact CD1-CB 3.79Å; F65-A366 HydrophobicContact CE1-CB 3.49Å; F65-A366 VanDerWaalsContact CE1-CB 3.49Å; F65-A366 HydrophobicContact CZ-CB 4.2Å; F65-F397 HydrophobicContact CE2-CE2 4.04Å; F65-F397 AromaticContact CZ-CE2 3.95Å; F65-F397 HydrophobicContact CZ-CE2 3.95Å; F65-F397 HydrophobicContact CZ-CZ 4.35Å; F65-L408 HydrophobicContact CD2-CD2 3.72Å; F65-L408 HydrophobicContact CE2-CD1 4.48Å; F65-L408 HydrophobicContact CE2-CD2 4.27Å; F65-L411 HydrophobicContact CB-CD1 4.12Å; F65-L411 HydrophobicContact CB-CD2 4.06Å; F65-L411 HydrophobicContact CG-CD1 4.26Å
66	Y	97.4	Very high	97.3	Very high	84 Å²	84	46 Å²	46	33%	0.329	23%	0.226	S	C	.	.	H	α-helix	trans	-54.9	-51	171.8	-175.9	-86.8	0	0	0	112.5	L58 G62 L69 K70	L58-Y66 HydrophobicContact CB-CE2 4.2Å; L58-Y66 HydrophobicContact CD2-CD2 3.75Å; L58-Y66 HydrophobicContact CD2-CE2 3.64Å; L58-Y66 HydrophobicContact CD2-CG 4.43Å; L58-Y66 HydrophobicContact CG-CD2 3.95Å; L58-Y66 HydrophobicContact CG-CE2 3.8Å; G62-Y66 WeakPolarHBondContact O-CB 3.3Å; G62-Y66 PolarHBondContact O-N 3.5Å; Y66-L69 PolarHBondContact O-N 3.3Å; Y66-K70 HydrophobicContact CD1-CG 4.1Å; Y66-K70 HydrophobicContact CE1-CD 4.43Å; Y66-K70 HydrophobicContact CE1-CG 3.72Å; Y66-K70 WeakPolarHBondContact O-CG 3.36Å; Y66-K70 PolarHBondContact O-N 2.9Å; Y66-K70 WeakPolarHBondContact OH-CE 3.44Å
67	Q	97.3	Very high	97.3	Very high	90 Å²	90	47.1 Å²	47.1	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-42.8	179.4	-75.5	-72.8	34.3	0	0	111.9	K63 K64 F65 L69 K70 E71	K63-Q67 WeakPolarHBondContact O-CG 3.34Å; K63-Q67 PolarHBondContact O-N 3.46Å; K64-Q67 PolarHBondContact O-N 3.25Å; F65-Q67 PolarHBondContact O-N 2.84Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 2.92Å; Q67-K70 PolarHBondContact O-N 3.49Å; Q67-K70 VanDerWaalsContact O-N 3.14Å; Q67-E71 WeakPolarHBondContact O-CG 3.33Å; Q67-E71 PolarHBondContact O-N 3.04Å
68	F	97.7	Very high	97.2	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-54.2	-47.1	175.1	175.9	-89	0	0	0	111.8	K64 F65 E71 Q72 A400 E404 R407 L408	K64-F68 WeakPolarHBondContact O-CB 3.43Å; K64-F68 PolarHBondContact O-N 3.08Å; F65-F68 HydrophobicContact CD2-CD1 4.22Å; F65-F68 HydrophobicContact CE2-CD1 4.26Å; F65-F68 WeakPolarHBondContact O-CB 3.41Å; F65-F68 PolarHBondContact O-N 3.25Å; F68-E71 PolarHBondContact O-N 2.88Å; F68-Q72 HydrophobicContact CD2-CG 3.99Å; F68-Q72 HydrophobicContact CE1-CB 4.38Å; F68-Q72 HydrophobicContact CE2-CG 3.85Å; F68-Q72 HydrophobicContact CG-CG 4.42Å; F68-Q72 HydrophobicContact CZ-CB 4.32Å; F68-Q72 HydrophobicContact CZ-CG 4.14Å; F68-Q72 WeakPolarHBondContact O-CB 3.41Å; F68-Q72 WeakPolarHBondContact O-CG 3.3Å; F68-Q72 PolarHBondContact O-N 3.46Å; F68-A400 HydrophobicContact CE1-CB 3.78Å; F68-A400 HydrophobicContact CZ-CB 3.66Å; F68-A400 WeakPolarHBondContact CZ-O 3.39Å; F68-E404 HydrophobicContact CE2-CB 3.74Å; F68-E404 HydrophobicContact CZ-CB 4.17Å; F68-R407 HydrophobicContact CD2-CB 4.36Å; F68-R407 HydrophobicContact CE2-CB 4.48Å; F68-L408 HydrophobicContact CB-CD2 3.87Å; F68-L408 HydrophobicContact CD1-CD1 4.08Å; F68-L408 HydrophobicContact CD1-CD2 3.73Å; F68-L408 HydrophobicContact CD1-CG 4.24Å; F68-L408 HydrophobicContact CD2-CD1 4.5Å; F68-L408 HydrophobicContact CD2-CD2 3.75Å; F68-L408 HydrophobicContact CD2-CG 3.98Å; F68-L408 HydrophobicContact CE1-CD1 3.67Å; F68-L408 HydrophobicContact CE1-CD2 4.17Å; F68-L408 HydrophobicContact CE1-CG 4.18Å; F68-L408 HydrophobicContact CE2-CD1 4.1Å; F68-L408 HydrophobicContact CE2-CD2 4.17Å; F68-L408 HydrophobicContact CE2-CG 3.89Å; F68-L408 HydrophobicContact CG-CD1 4.47Å; F68-L408 HydrophobicContact CG-CD2 3.5Å; F68-L408 VanDerWaalsContact CG-CD2 3.5Å; F68-L408 HydrophobicContact CG-CG 4.14Å; F68-L408 HydrophobicContact CZ-CD1 3.67Å; F68-L408 HydrophobicContact CZ-CD2 4.36Å; F68-L408 HydrophobicContact CZ-CG 3.99Å
69	L	98.3	Very high	97.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-40.1	178.4	-69.3	171.9	0	0	0	112.1	L58 F65 Y66 Q67 E71 C73 V76 L339 A366 F397	L58-L69 HydrophobicContact CD1-CD1 4.02Å; L58-L69 HydrophobicContact CD2-CB 4.29Å; F65-L69 HydrophobicContact CD2-CD1 4.2Å; F65-L69 HydrophobicContact CD2-CG 4.03Å; F65-L69 HydrophobicContact CE1-CD1 4.31Å; F65-L69 HydrophobicContact CE2-CD1 3.99Å; F65-L69 HydrophobicContact CE2-CD2 3.89Å; F65-L69 HydrophobicContact CE2-CG 3.82Å; F65-L69 HydrophobicContact CG-CD1 4.46Å; F65-L69 HydrophobicContact CZ-CD1 4.05Å; F65-L69 HydrophobicContact CZ-CD2 4.3Å; F65-L69 HydrophobicContact CZ-CG 4.33Å; F65-L69 WeakPolarHBondContact O-CG 3.44Å; F65-L69 PolarHBondContact O-N 3.3Å; Y66-L69 PolarHBondContact O-N 3.3Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 2.92Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.87Å; L69-C73 CarbonylContact O-C 3.49Å; L69-C73 VanDerWaalsContact O-C 3.28Å; L69-C73 VanDerWaalsContact O-CA 3.26Å; L69-C73 WeakPolarHBondContact O-CA 3.41Å; L69-C73 VanDerWaalsContact O-CB 3.25Å; L69-C73 WeakPolarHBondContact O-CB 3.5Å; L69-C73 PolarHBondContact O-N 2.83Å; L69-C73 VanDerWaalsContact O-O 3.12Å; L69-V76 HydrophobicContact CB-CG2 4.38Å; L69-L339 HydrophobicContact CD1-CD1 4.02Å; L69-L339 HydrophobicContact CD2-CD2 4.07Å; L69-A366 HydrophobicContact CD1-CB 3.33Å; L69-F397 HydrophobicContact CD2-CD2 3.74Å; L69-F397 HydrophobicContact CD2-CE2 3.9Å
70	K	97.4	Very high	97.1	Very high	64 Å²	64	44.8 Å²	44.8	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-40.2	176.7	-74.2	-64.8	-168.6	-171.4	0	112.7	L58 Y66 Q67 V76 S77	L58-K70 HydrophobicContact CD2-CD 4.27Å; L58-K70 HydrophobicContact CD2-CG 4.34Å; Y66-K70 HydrophobicContact CD1-CG 4.1Å; Y66-K70 HydrophobicContact CE1-CD 4.43Å; Y66-K70 HydrophobicContact CE1-CG 3.72Å; Y66-K70 WeakPolarHBondContact O-CG 3.36Å; Y66-K70 PolarHBondContact O-N 2.9Å; Y66-K70 WeakPolarHBondContact OH-CE 3.44Å; Q67-K70 PolarHBondContact O-N 3.49Å; Q67-K70 VanDerWaalsContact O-N 3.14Å; K70-V76 HydrophobicContact CD-CG2 4.12Å; K70-S77 WeakPolarHBondContact CD-OG 3.34Å; K70-S77 WeakPolarHBondContact CE-OG 3.26Å; K70-S77 PolarHBondContact NZ-OG 3.47Å
71	E	97.1	Very high	97	Very high	100 Å²	100	48.7 Å²	48.7	47%	0.467	24%	0.237	S	C	.	.	H	α-helix	trans	-80.2	-45.3	-177.1	-68.9	172	-165.2	0	0	112.6	Q67 F68 L69 R407	Q67-E71 WeakPolarHBondContact O-CG 3.33Å; Q67-E71 PolarHBondContact O-N 3.04Å; F68-E71 PolarHBondContact O-N 2.88Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.87Å; E71-R407 IonicContact OE2-CZ 3.7Å; E71-R407 IonicContact OE2-NH1 3.91Å; E71-R407 IonicContact OE2-NH2 2.68Å; E71-R407 PolarHBondContact OE2-NH2 3.1Å
72	Q	97.8	Very high	97.1	Very high	60 Å²	60	47.6 Å²	47.6	28%	0.28	23%	0.225	S	C	.	.	H	α-helix	trans	-95.5	-18.1	-171.3	-55.5	-53.4	-49.4	0	0	113.3	F68 A400 R407	F68-Q72 HydrophobicContact CD2-CG 3.99Å; F68-Q72 HydrophobicContact CE1-CB 4.38Å; F68-Q72 HydrophobicContact CE2-CG 3.85Å; F68-Q72 HydrophobicContact CG-CG 4.42Å; F68-Q72 HydrophobicContact CZ-CB 4.32Å; F68-Q72 HydrophobicContact CZ-CG 4.14Å; F68-Q72 WeakPolarHBondContact O-CB 3.41Å; F68-Q72 WeakPolarHBondContact O-CG 3.3Å; F68-Q72 PolarHBondContact O-N 3.46Å; Q72-A400 HydrophobicContact CB-CB 3.6Å; Q72-A400 HydrophobicContact CG-CB 4.48Å; Q72-R407 VanDerWaalsContact NE2-NH1 3.13Å
73	C	98.1	Very high	97.1	Very high	1 Å²	1	47 Å²	47	1%	0.007	22%	0.219	C	C	.	.			trans	-127.7	68.2	179.1	-55.2	0	0	0	0	111.4	L69 V75 V76 Q396	L69-C73 CarbonylContact O-C 3.49Å; L69-C73 VanDerWaalsContact O-C 3.28Å; L69-C73 VanDerWaalsContact O-CA 3.26Å; L69-C73 WeakPolarHBondContact O-CA 3.41Å; L69-C73 VanDerWaalsContact O-CB 3.25Å; L69-C73 WeakPolarHBondContact O-CB 3.5Å; L69-C73 PolarHBondContact O-N 2.83Å; L69-C73 VanDerWaalsContact O-O 3.12Å; C73-V75 HydrophobicContact CB-CG1 4.36Å; C73-V75 PolarHBondContact O-N 3.47Å; C73-V76 HydrophobicContact CB-CG1 3.97Å; C73-V76 WeakPolarHBondContact O-CG1 3.36Å; C73-V76 VanDerWaalsContact O-CG2 3.24Å; C73-V76 WeakPolarHBondContact O-CG2 3.4Å; C73-V76 PolarHBondContact O-N 3.44Å; C73-Q396 HydrophobicContact CB-CB 4.15Å
74	P	97.2	Very high	97	Very high	60 Å²	60	41.9 Å²	41.9	39%	0.39	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-47.1	-30.6	-179.3	-29.8	35	0	0	0	115.3	V76 S77 E78 Q396	P74-V76 PolarHBondContact O-N 3.14Å; P74-S77 PolarHBondContact O-N 3.17Å; P74-E78 PolarHBondContact O-N 2.99Å; P74-Q396 VanDerWaalsContact CD-OE1 3.23Å
75	V	97.9	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-51.4	-28.5	176.1	67	0	0	0	0	113.9	C73 S77 E78 Y389 R392 V393 Q396	C73-V75 HydrophobicContact CB-CG1 4.36Å; C73-V75 PolarHBondContact O-N 3.47Å; V75-S77 PolarHBondContact O-N 2.84Å; V75-E78 PolarHBondContact O-N 2.86Å; V75-Y389 HydrophobicContact CG2-CD2 4.07Å; V75-Y389 HydrophobicContact CG2-CE2 3.46Å; V75-Y389 VanDerWaalsContact CG2-CE2 3.46Å; V75-Y389 PolarHBondContact O-OH 2.9Å; V75-R392 HydrophobicContact CG2-CB 3.96Å; V75-V393 HydrophobicContact CG1-CB 4.33Å; V75-V393 HydrophobicContact CG1-CG2 3.91Å; V75-V393 HydrophobicContact CG2-CG2 3.72Å; V75-Q396 HydrophobicContact CG1-CB 4.3Å; V75-Q396 HydrophobicContact CG1-CG 4.42Å
76	V	98.1	Very high	96.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-72.1	-6.5	177.6	-49.4	0	0	0	0	113.7	L58 L69 K70 C73 P74 L368	L58-V76 HydrophobicContact CD2-CB 4.32Å; L58-V76 HydrophobicContact CD2-CG2 3.82Å; L69-V76 HydrophobicContact CB-CG2 4.38Å; K70-V76 HydrophobicContact CD-CG2 4.12Å; C73-V76 HydrophobicContact CB-CG1 3.97Å; C73-V76 WeakPolarHBondContact O-CG1 3.36Å; C73-V76 VanDerWaalsContact O-CG2 3.24Å; C73-V76 WeakPolarHBondContact O-CG2 3.4Å; C73-V76 PolarHBondContact O-N 3.44Å; P74-V76 PolarHBondContact O-N 3.14Å; V76-L368 HydrophobicContact CB-CD1 3.93Å; V76-L368 HydrophobicContact CB-CD2 4.4Å; V76-L368 HydrophobicContact CG1-CD1 4.38Å; V76-L368 HydrophobicContact CG1-CD2 4.09Å
77	S	97.4	Very high	96.3	Very high	36 Å²	36	41.2 Å²	41.2	25%	0.252	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-13	180	-53.6	0	0	0	0	113.6	K55 K70 P74 V75	K55-S77 WeakPolarHBondContact CD-O 3.43Å; K70-S77 WeakPolarHBondContact CD-OG 3.34Å; K70-S77 WeakPolarHBondContact CE-OG 3.26Å; K70-S77 PolarHBondContact NZ-OG 3.47Å; P74-S77 PolarHBondContact O-N 3.17Å; V75-S77 PolarHBondContact O-N 2.84Å
78	E	96.9	Very high	96.1	Very high	68 Å²	68	39.5 Å²	39.5	32%	0.318	18%	0.183	S	C	.	.	S	Bend	trans	-75.4	150.2	179.4	-71.2	171.8	-156	0	0	110.6	P56 P74 V75 Y80 R392	P56-E78 WeakPolarHBondContact CD-O 3.4Å; P74-E78 PolarHBondContact O-N 2.99Å; V75-E78 PolarHBondContact O-N 2.86Å; E78-Y80 PolarHBondContact O-N 3.05Å; E78-R392 IonicContact OE2-CZ 3.63Å; E78-R392 IonicContact OE2-NH1 2.97Å; E78-R392 PolarHBondContact OE2-NH1 3.46Å; E78-R392 IonicContact OE2-NH2 3.72Å; E78-R392 PolarHBondContact OE2-NH2 3.33Å
79	T	97	Very high	95.9	Very high	35 Å²	35	39.3 Å²	39.3	22%	0.215	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-66.3	125.6	169.9	-59.7	0	0	0	0	108.2	A53 Y81	A53-T79 HydrophobicContact CB-CG2 4.17Å; T79-Y81 HydrophobicContact CG2-CD1 4.43Å; T79-Y81 HydrophobicContact CG2-CD2 4.05Å; T79-Y81 HydrophobicContact CG2-CE1 3.99Å; T79-Y81 HydrophobicContact CG2-CE2 3.58Å; T79-Y81 HydrophobicContact CG2-CG 4.45Å; T79-Y81 VanDerWaalsContact O-CD2 3.27Å; T79-Y81 WeakPolarHBondContact O-CD2 3.32Å; T79-Y81 WeakPolarHBondContact O-CE2 3.43Å
80	Y	96.6	Very high	95.8	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.012	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-80.6	128.1	168.4	168.9	-133.4	0	0	0	108.2	A53 K54 E78 P82 Q92 T370 H372 F378 L379 E380 Y389	A53-Y80 WeakPolarHBondContact CA-O 3.19Å; K54-Y80 PolarHBondContact N-O 3.38Å; K54-Y80 PolarHBondContact O-N 3.16Å; E78-Y80 PolarHBondContact O-N 3.05Å; Y80-P82 HydrophobicContact CD1-CG 3.9Å; Y80-P82 HydrophobicContact CE1-CB 4.24Å; Y80-P82 HydrophobicContact CE1-CG 3.52Å; Y80-P82 WeakPolarHBondContact O-CD 3.25Å; Y80-Q92 PolarHBondContact OH-OE1 2.98Å; Y80-T370 HydrophobicContact CD1-CG2 3.89Å; Y80-T370 HydrophobicContact CG-CG2 4.44Å; Y80-H372 WeakPolarHBondContact CE1-O 3.26Å; Y80-F378 VanDerWaalsContact OH-CA 3.22Å; Y80-F378 WeakPolarHBondContact OH-CA 3.4Å; Y80-L379 PolarHBondContact OH-N 3.2Å; Y80-L379 PolarHBondContact OH-O 3.29Å; Y80-E380 HydrophobicContact CD2-CB 4.41Å; Y80-E380 HydrophobicContact CD2-CG 4.29Å; Y80-E380 HydrophobicContact CE2-CB 3.97Å; Y80-E380 HydrophobicContact CE2-CG 4.31Å; Y80-Y389 VanDerWaalsContact CD2-CB 3.44Å; Y80-Y389 HydrophobicContact CD2-CD1 4.25Å; Y80-Y389 AromaticContact CD2-CD2 3.53Å; Y80-Y389 HydrophobicContact CD2-CD2 3.53Å; Y80-Y389 HydrophobicContact CD2-CE2 4.37Å; Y80-Y389 AromaticContact CD2-CG 3.47Å; Y80-Y389 HydrophobicContact CD2-CG 3.47Å; Y80-Y389 VanDerWaalsContact CD2-CG 3.47Å; Y80-Y389 VanDerWaalsContact CE2-CB 3.41Å; Y80-Y389 HydrophobicContact CE2-CD2 4.39Å; Y80-Y389 AromaticContact CE2-CG 3.95Å; Y80-Y389 HydrophobicContact CE2-CG 3.95Å; Y80-Y389 HydrophobicContact CG-CD1 4.37Å; Y80-Y389 AromaticContact CG-CD2 3.96Å; Y80-Y389 HydrophobicContact CG-CD2 3.96Å; Y80-Y389 HydrophobicContact CG-CE2 4.4Å; Y80-Y389 AromaticContact CG-CG 3.97Å; Y80-Y389 HydrophobicContact CG-CG 3.97Å
81	Y	96.3	Very high	95.7	Very high	105 Å²	105	43 Å²	43	41%	0.412	20%	0.2	S	C	.	.			trans	-109.2	85.3	178.3	-69.4	-88.7	0	0	0	110.2	Y48 L49 A53 T79 T83 E380 G381	Y48-Y81 HydrophobicContact CE1-CD1 4.2Å; L49-Y81 HydrophobicContact CD2-CE1 4.35Å; A53-Y81 HydrophobicContact CB-CD1 3.53Å; A53-Y81 HydrophobicContact CB-CE1 3.75Å; A53-Y81 HydrophobicContact CB-CG 4.36Å; T79-Y81 HydrophobicContact CG2-CD1 4.43Å; T79-Y81 HydrophobicContact CG2-CD2 4.05Å; T79-Y81 HydrophobicContact CG2-CE1 3.99Å; T79-Y81 HydrophobicContact CG2-CE2 3.58Å; T79-Y81 HydrophobicContact CG2-CG 4.45Å; T79-Y81 VanDerWaalsContact O-CD2 3.27Å; T79-Y81 WeakPolarHBondContact O-CD2 3.32Å; T79-Y81 WeakPolarHBondContact O-CE2 3.43Å; Y81-T83 PolarHBondContact O-N 3.25Å; Y81-E380 PolarHBondContact N-OE1 3.5Å; Y81-E380 WeakPolarHBondContact O-CA 3.31Å; Y81-G381 PolarHBondContact O-N 3.15Å
82	P	96.3	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-48.5	142.2	174.6	-26.4	31.2	0	0	0	111.3	Y48 V52 Y80 F84 W87 H372 L379	Y48-P82 VanDerWaalsContact CE2-O 3.27Å; Y48-P82 WeakPolarHBondContact CE2-O 3.43Å; Y48-P82 VanDerWaalsContact CZ-O 3.31Å; Y48-P82 PolarHBondContact OH-O 3.02Å; V52-P82 HydrophobicContact CG1-CB 4Å; V52-P82 HydrophobicContact CG1-CG 3.75Å; Y80-P82 HydrophobicContact CD1-CG 3.9Å; Y80-P82 HydrophobicContact CE1-CB 4.24Å; Y80-P82 HydrophobicContact CE1-CG 3.52Å; Y80-P82 WeakPolarHBondContact O-CD 3.25Å; P82-F84 PolarHBondContact O-N 3.11Å; P82-F84 VanDerWaalsContact O-N 3.13Å; P82-W87 HydrophobicContact CB-CB 3.54Å; P82-W87 HydrophobicContact CG-CB 4.44Å; P82-H372 HydrophobicContact CB-CB 4.46Å; P82-H372 HydrophobicContact CG-CB 3.87Å; P82-L379 CarbonylContact C-O 3.54Å; P82-L379 VanDerWaalsContact CA-O 3.26Å; P82-L379 WeakPolarHBondContact CA-O 3.21Å
83	T	95.4	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.			trans	-51.8	125.8	-179	-70.7	0	0	0	0	111.7	Y81 W85 C86 W87 L379 G381 P384	Y81-T83 PolarHBondContact O-N 3.25Å; T83-W85 HydrophobicContact CG2-CD2 3.83Å; T83-W85 HydrophobicContact CG2-CG 4.09Å; T83-W85 HydrophobicContact CG2-CH2 4.43Å; T83-W85 HydrophobicContact CG2-CZ2 3.62Å; T83-W85 PolarHBondContact O-N 2.97Å; T83-C86 HydrophobicContact CG2-CB 4.1Å; T83-C86 CarbonylContact O-C 3.44Å; T83-C86 PolarHBondContact O-N 2.79Å; T83-W87 PolarHBondContact O-N 3.24Å; T83-L379 PolarHBondContact N-O 2.77Å; T83-L379 WeakPolarHBondContact OG1-CB 3.22Å; T83-L379 PolarHBondContact OG1-O 2.98Å; T83-G381 WeakPolarHBondContact CA-O 3.25Å; T83-G381 WeakPolarHBondContact CB-O 3.32Å; T83-G381 WeakPolarHBondContact CG2-O 3.18Å; T83-G381 PolarHBondContact OG1-O 3.17Å; T83-P384 HydrophobicContact CG2-CG 4.06Å; T83-P384 WeakPolarHBondContact OG1-CB 3.29Å; T83-P384 WeakPolarHBondContact OG1-CG 3.48Å
84	F	92.4	Very high	95.1	Very high	66 Å²	66	39.4 Å²	39.4	29%	0.289	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.6	-163.1	-174.6	-103.4	0	0	0	114.2	Y44 Y48 P82 L382	Y44-F84 AromaticContact CD1-CE1 3.65Å; Y44-F84 HydrophobicContact CD1-CE1 3.65Å; Y44-F84 AromaticContact CD1-CE2 3.87Å; Y44-F84 HydrophobicContact CD1-CE2 3.87Å; Y44-F84 AromaticContact CD1-CZ 3.27Å; Y44-F84 HydrophobicContact CD1-CZ 3.27Å; Y44-F84 AromaticContact CE1-CD1 3.84Å; Y44-F84 HydrophobicContact CE1-CD1 3.84Å; Y44-F84 HydrophobicContact CE1-CD2 4.05Å; Y44-F84 AromaticContact CE1-CE1 3.38Å; Y44-F84 HydrophobicContact CE1-CE1 3.38Å; Y44-F84 AromaticContact CE1-CE2 3.61Å; Y44-F84 HydrophobicContact CE1-CE2 3.61Å; Y44-F84 HydrophobicContact CE1-CG 4.18Å; Y44-F84 AromaticContact CE1-CZ 3.28Å; Y44-F84 HydrophobicContact CE1-CZ 3.28Å; Y44-F84 PolarHBondContact OH-O 3.2Å; Y48-F84 AromaticContact CD1-CD2 3.85Å; Y48-F84 HydrophobicContact CD1-CD2 3.85Å; Y48-F84 HydrophobicContact CD1-CE2 4.03Å; Y48-F84 AromaticContact CD2-CD2 3.8Å; Y48-F84 HydrophobicContact CD2-CD2 3.8Å; Y48-F84 HydrophobicContact CD2-CE2 4.32Å; Y48-F84 HydrophobicContact CE1-CD2 4.03Å; Y48-F84 AromaticContact CE2-CD2 3.99Å; Y48-F84 HydrophobicContact CE2-CD2 3.99Å; Y48-F84 AromaticContact CG-CD2 3.74Å; Y48-F84 HydrophobicContact CG-CD2 3.74Å; Y48-F84 AromaticContact CG-CE2 3.87Å; Y48-F84 HydrophobicContact CG-CE2 3.87Å; P82-F84 PolarHBondContact O-N 3.11Å; P82-F84 VanDerWaalsContact O-N 3.13Å; F84-L382 HydrophobicContact CB-CD1 4.2Å
85	W	91.7	Very high	94.9	Very high	113 Å²	113	39.6 Å²	39.6	43%	0.428	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	1.1	-179.8	51.6	-89	0	0	0	113.3	T83 L95 V99 L382 W383	T83-W85 HydrophobicContact CG2-CD2 3.83Å; T83-W85 HydrophobicContact CG2-CG 4.09Å; T83-W85 HydrophobicContact CG2-CH2 4.43Å; T83-W85 HydrophobicContact CG2-CZ2 3.62Å; T83-W85 PolarHBondContact O-N 2.97Å; W85-L95 HydrophobicContact CZ3-CD1 4.34Å; W85-V99 HydrophobicContact CH2-CG1 3.85Å; W85-V99 HydrophobicContact CH2-CG2 3.83Å; W85-V99 HydrophobicContact CZ2-CG1 4.16Å; W85-L382 PolarHBondContact NE1-O 3Å; W85-W383 AromaticContact CD1-CZ3 3.66Å; W85-W383 HydrophobicContact CZ2-CE3 4.43Å; W85-W383 AromaticContact NE1-CE3 3.52Å; W85-W383 AromaticContact NE1-CZ3 3.17Å
86	C	92.8	Very high	94.5	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	18%	0.184	C	C	.	.			trans	-149.9	69.9	-173.9	-171.5	0	0	0	0	110.2	T83 Q92	T83-C86 HydrophobicContact CG2-CB 4.1Å; T83-C86 CarbonylContact O-C 3.44Å; T83-C86 PolarHBondContact O-N 2.79Å; C86-Q92 VanDerWaalsContact O-CD 3.3Å; C86-Q92 WeakPolarHBondContact O-CG 3.49Å
87	W	92.3	Very high	94	Very high	57 Å²	57	42.2 Å²	42.2	22%	0.216	20%	0.2	C	C	.	.			trans	-109.9	-13.7	178.4	57.4	-100.4	0	0	0	113.6	Y44 Y47 V52 P82 T83 Q92 H372	Y44-W87 AromaticContact CZ-NE1 3.91Å; Y44-W87 PolarHBondContact OH-NE1 3.21Å; Y47-W87 HydrophobicContact CE1-CH2 4.29Å; Y47-W87 AromaticContact CE1-CZ2 3.88Å; Y47-W87 HydrophobicContact CE1-CZ2 3.88Å; V52-W87 HydrophobicContact CG1-CB 3.7Å; V52-W87 HydrophobicContact CG1-CD2 4.2Å; V52-W87 HydrophobicContact CG1-CG 3.78Å; V52-W87 HydrophobicContact CG2-CD2 4.11Å; V52-W87 HydrophobicContact CG2-CE3 4.4Å; V52-W87 HydrophobicContact CG2-CG 4.41Å; P82-W87 HydrophobicContact CB-CB 3.54Å; P82-W87 HydrophobicContact CG-CB 4.44Å; T83-W87 PolarHBondContact O-N 3.24Å; W87-Q92 PolarHBondContact O-NE2 3.35Å; W87-H372 AromaticContact CE3-CE1 3.62Å; W87-H372 AromaticContact CE3-ND1 3.86Å; W87-H372 AromaticContact CZ3-CE1 3.81Å
88	E	94.4	Very high	93.7	Very high	53 Å²	53	48.7 Å²	48.7	25%	0.248	22%	0.224	C	C	.	.	S	Bend	trans	-72.6	138.7	177.2	-164.2	-78.1	154.4	0	0	111.4	R90 I91 Q92	E88-R90 PolarHBondContact O-N 3.23Å; E88-R90 IonicContact OE1-NH1 3.75Å; E88-R90 PolarHBondContact OE1-NH1 2.91Å; E88-R90 WeakPolarHBondContact OE2-CA 3.42Å; E88-R90 WeakPolarHBondContact OE2-CB 3.44Å; E88-R90 PolarHBondContact OE2-N 2.86Å; E88-I91 HydrophobicContact CB-CD1 4.25Å; E88-I91 HydrophobicContact CB-CG1 4.46Å; E88-I91 PolarHBondContact O-N 2.98Å; E88-I91 PolarHBondContact OE2-N 2.83Å; E88-Q92 WeakPolarHBondContact O-CB 3.34Å; E88-Q92 WeakPolarHBondContact O-CG 3.46Å; E88-Q92 PolarHBondContact O-N 3.44Å
89	S	93.5	Very high	93.4	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-43.9	-58.2	-176.1	178.5	0	0	0	0	115.7	T93 D345 G374	S89-T93 WeakPolarHBondContact O-CB 3.45Å; S89-T93 PolarHBondContact O-N 3.37Å; S89-T93 PolarHBondContact O-OG1 3.49Å; S89-D345 WeakPolarHBondContact CB-O 3.45Å; S89-D345 PolarHBondContact N-OD2 2.73Å; S89-D345 PolarHBondContact OG-O 2.69Å; S89-G374 WeakPolarHBondContact O-CA 3.15Å; S89-G374 WeakPolarHBondContact OG-CA 3.26Å
90	R	95.3	Very high	93.1	Very high	59 Å²	59	45.5 Å²	45.5	22%	0.223	21%	0.209	C	C	.	.	H	α-helix	trans	-70	-43.3	-172.9	-55.9	175.8	172.7	75.3	4.5	110.2	E88 T93 L94 D263 L266 F267 V347	E88-R90 PolarHBondContact O-N 3.23Å; E88-R90 IonicContact OE1-NH1 3.75Å; E88-R90 PolarHBondContact OE1-NH1 2.91Å; E88-R90 WeakPolarHBondContact OE2-CA 3.42Å; E88-R90 WeakPolarHBondContact OE2-CB 3.44Å; E88-R90 PolarHBondContact OE2-N 2.86Å; R90-T93 PolarHBondContact O-N 2.94Å; R90-L94 WeakPolarHBondContact O-CB 3.42Å; R90-L94 WeakPolarHBondContact O-CG 3.44Å; R90-L94 PolarHBondContact O-N 3.23Å; R90-D263 IonicContact CZ-OD1 3.6Å; R90-D263 VanDerWaalsContact CZ-OD1 3.26Å; R90-D263 IonicContact CZ-OD2 2.86Å; R90-D263 IonicContact NE-OD1 3.87Å; R90-D263 PolarHBondContact NE-OD1 2.99Å; R90-D263 IonicContact NH2-OD1 2.85Å; R90-D263 PolarHBondContact NH2-OD1 2.92Å; R90-D263 IonicContact NH2-OD2 2.74Å; R90-D263 PolarHBondContact NH2-OD2 3.36Å; R90-L266 HydrophobicContact CB-CD1 4.41Å; R90-F267 HydrophobicContact CB-CE2 4.16Å; R90-F267 HydrophobicContact CB-CZ 3.95Å; R90-F267 HydrophobicContact CG-CE2 3.95Å; R90-F267 HydrophobicContact CG-CZ 4.23Å; R90-V347 HydrophobicContact CG-CG1 4.35Å
91	I	94.4	Very high	92.8	Very high	82 Å²	82	47.5 Å²	47.5	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-47.1	179.6	-58.9	178.1	0	0	0	110	E88 T93 L94 L95	E88-I91 HydrophobicContact CB-CD1 4.25Å; E88-I91 HydrophobicContact CB-CG1 4.46Å; E88-I91 PolarHBondContact O-N 2.98Å; E88-I91 PolarHBondContact OE2-N 2.83Å; I91-T93 VanDerWaalsContact C-N 3.3Å; I91-T93 PolarHBondContact O-N 3.02Å; I91-L94 PolarHBondContact O-N 2.81Å; I91-L95 HydrophobicContact CG2-CD1 3.49Å; I91-L95 VanDerWaalsContact CG2-CD1 3.49Å; I91-L95 HydrophobicContact CG2-CG 3.97Å; I91-L95 VanDerWaalsContact O-CB 3.25Å; I91-L95 WeakPolarHBondContact O-CB 3.4Å; I91-L95 WeakPolarHBondContact O-CG 3.28Å; I91-L95 PolarHBondContact O-N 3.42Å
92	Q	93.9	Very high	92.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-44.2	175.7	-77.6	-165.7	74	0	0	112.1	Y80 C86 W87 E88 R96 L379	Y80-Q92 PolarHBondContact OH-OE1 2.98Å; C86-Q92 VanDerWaalsContact O-CD 3.3Å; C86-Q92 WeakPolarHBondContact O-CG 3.49Å; W87-Q92 PolarHBondContact O-NE2 3.35Å; E88-Q92 WeakPolarHBondContact O-CB 3.34Å; E88-Q92 WeakPolarHBondContact O-CG 3.46Å; E88-Q92 PolarHBondContact O-N 3.44Å; Q92-R96 VanDerWaalsContact O-CB 3.29Å; Q92-R96 WeakPolarHBondContact O-CB 3.38Å; Q92-R96 PolarHBondContact O-N 2.89Å; Q92-R96 VanDerWaalsContact O-N 3.09Å; Q92-L379 HydrophobicContact CG-CD1 4.33Å; Q92-L379 VanDerWaalsContact OE1-N 3.1Å
93	T	93.7	Very high	92.4	Very high	14 Å²	14	49.9 Å²	49.9	9%	0.086	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-45.2	-179.5	-56.9	0	0	0	0	111.7	S89 R90 I91 F267 F348 H375 I376	S89-T93 WeakPolarHBondContact O-CB 3.45Å; S89-T93 PolarHBondContact O-N 3.37Å; S89-T93 PolarHBondContact O-OG1 3.49Å; R90-T93 PolarHBondContact O-N 2.94Å; I91-T93 VanDerWaalsContact C-N 3.3Å; I91-T93 PolarHBondContact O-N 3.02Å; T93-F267 HydrophobicContact CG2-CE1 3.9Å; T93-F267 HydrophobicContact CG2-CZ 4.36Å; T93-F348 HydrophobicContact CG2-CE2 4.2Å; T93-H375 HydrophobicContact CG2-CB 3.84Å; T93-H375 PolarHBondContact OG1-N 2.86Å; T93-I376 HydrophobicContact CG2-CG1 4.36Å
94	L	93.8	Very high	92.2	Very high	73 Å²	73	53 Å²	53	38%	0.382	27%	0.273	S	S	.	.	H	α-helix	trans	-74.7	-38.9	-178.7	-70	170.2	0	0	0	112.9	R90 I91 P97 F98 L266 F267	R90-L94 WeakPolarHBondContact O-CB 3.42Å; R90-L94 WeakPolarHBondContact O-CG 3.44Å; R90-L94 PolarHBondContact O-N 3.23Å; I91-L94 PolarHBondContact O-N 2.81Å; L94-P97 WeakPolarHBondContact O-CD 3.35Å; L94-F98 WeakPolarHBondContact O-CD2 3.46Å; L94-F98 WeakPolarHBondContact O-CE2 3.48Å; L94-L266 HydrophobicContact CD1-CD2 4.27Å; L94-F267 HydrophobicContact CD1-CE1 4.38Å; L94-F267 HydrophobicContact CD1-CZ 4.3Å; L94-F267 HydrophobicContact CD2-CD1 4.27Å; L94-F267 HydrophobicContact CD2-CE1 3.58Å; L94-F267 HydrophobicContact CD2-CZ 4.31Å; L94-F267 HydrophobicContact CG-CE1 3.74Å; L94-F267 HydrophobicContact CG-CZ 4.02Å
95	L	92.1	Very high	92.4	Very high	64 Å²	64	51.1 Å²	51.1	34%	0.335	27%	0.267	S	S	.	.	H	α-helix	trans	-83.6	-21.8	-173.9	-68	-171.8	0	0	0	113.6	W85 I91 P97 F98 V99	W85-L95 HydrophobicContact CZ3-CD1 4.34Å; I91-L95 HydrophobicContact CG2-CD1 3.49Å; I91-L95 VanDerWaalsContact CG2-CD1 3.49Å; I91-L95 HydrophobicContact CG2-CG 3.97Å; I91-L95 VanDerWaalsContact O-CB 3.25Å; I91-L95 WeakPolarHBondContact O-CB 3.4Å; I91-L95 WeakPolarHBondContact O-CG 3.28Å; I91-L95 PolarHBondContact O-N 3.42Å; L95-P97 VanDerWaalsContact C-CD 3.48Å; L95-F98 WeakPolarHBondContact O-CB 3.33Å; L95-F98 PolarHBondContact O-N 2.93Å; L95-V99 HydrophobicContact CB-CG2 4.02Å; L95-V99 WeakPolarHBondContact O-CG2 3.49Å; L95-V99 PolarHBondContact O-N 3.41Å
96	R	90.9	Very high	92.5	Very high	3 Å²	3	52 Å²	52	1%	0.011	29%	0.285	C	S	.	.	H	α-helix	trans	-48.5	-48.1	-176.4	172.7	174.7	-169.4	-76.6	-10.9	114.4	Q92 F98 V99 T100 Y156 I376 L379	Q92-R96 VanDerWaalsContact O-CB 3.29Å; Q92-R96 WeakPolarHBondContact O-CB 3.38Å; Q92-R96 PolarHBondContact O-N 2.89Å; Q92-R96 VanDerWaalsContact O-N 3.09Å; R96-F98 PolarHBondContact O-N 3.35Å; R96-F98 VanDerWaalsContact O-N 3.12Å; R96-V99 PolarHBondContact O-N 2.83Å; R96-T100 HydrophobicContact CG-CG2 3.95Å; R96-T100 WeakPolarHBondContact O-CB 3.49Å; R96-T100 PolarHBondContact O-N 3.4Å; R96-T100 PolarHBondContact O-OG1 2.83Å; R96-Y156 VanDerWaalsContact NH1-N 3.15Å; R96-I376 WeakPolarHBondContact CD-O 3.25Å; R96-I376 PolarHBondContact NE-O 3.31Å; R96-L379 HydrophobicContact CB-CD2 4.35Å; R96-L379 HydrophobicContact CG-CD2 4.28Å
97	P	87.6	Confident	92.7	Very high	51 Å²	51	54.3 Å²	54.3	33%	0.331	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-20	-179.5	-22.9	35.1	0	0	0	114.5	L94 L95	L94-P97 WeakPolarHBondContact O-CD 3.35Å; L95-P97 VanDerWaalsContact C-CD 3.48Å
98	F	89.5	Confident	92.9	Very high	172 Å²	172	56.7 Å²	56.7	75%	0.754	30%	0.302	S	S	*	.	H	α-helix	trans	-98.1	-28	-178.9	-54.9	-75.7	0	0	0	113.1	L94 L95 R96	L94-F98 WeakPolarHBondContact O-CD2 3.46Å; L94-F98 WeakPolarHBondContact O-CE2 3.48Å; L95-F98 WeakPolarHBondContact O-CB 3.33Å; L95-F98 PolarHBondContact O-N 2.93Å; R96-F98 PolarHBondContact O-N 3.35Å; R96-F98 VanDerWaalsContact O-N 3.12Å
99	V	90.6	Very high	93	Very high	28 Å²	28	57.9 Å²	57.9	17%	0.17	31%	0.31	C	S	.	.	H	α-helix	trans	-92.1	-38.2	-176.4	-176.1	0	0	0	0	111.7	W85 L95 R96 P384	W85-V99 HydrophobicContact CH2-CG1 3.85Å; W85-V99 HydrophobicContact CH2-CG2 3.83Å; W85-V99 HydrophobicContact CZ2-CG1 4.16Å; L95-V99 HydrophobicContact CB-CG2 4.02Å; L95-V99 WeakPolarHBondContact O-CG2 3.49Å; L95-V99 PolarHBondContact O-N 3.41Å; R96-V99 PolarHBondContact O-N 2.83Å; V99-P384 HydrophobicContact CG1-CG 3.56Å
100	T	91.4	Very high	93.2	Very high	8 Å²	8	60.2 Å²	60.2	5%	0.049	32%	0.321	C	S	.	.	S	Bend	trans	-78.8	145.7	178.2	60.5	0	0	0	0	111.1	R96 S155 L379 P384 T388	R96-T100 HydrophobicContact CG-CG2 3.95Å; R96-T100 WeakPolarHBondContact O-CB 3.49Å; R96-T100 PolarHBondContact O-N 3.4Å; R96-T100 PolarHBondContact O-OG1 2.83Å; T100-S155 PolarHBondContact OG1-OG 3.22Å; T100-L379 HydrophobicContact CG2-CD2 3.7Å; T100-P384 WeakPolarHBondContact CG2-O 3.47Å; T100-T388 HydrophobicContact CG2-CG2 4.02Å
101	A	90.9	Very high	93.3	Very high	46 Å²	46	61.5 Å²	61.5	38%	0.38	33%	0.332	S	S	.	.			trans	-65.3	161.4	173.4	0	0	0	0	0	110.7	P103 H159 R385	A101-P103 WeakPolarHBondContact O-CD 3.24Å; A101-H159 PolarHBondContact O-CE1 3.41Å; A101-H159 PolarHBondContact O-NE2 3.01Å; A101-R385 VanDerWaalsContact CB-O 3.26Å; A101-R385 WeakPolarHBondContact CB-O 3.33Å; A101-R385 PolarHBondContact N-O 3.46Å
102	K	92.1	Very high	93.4	Very high	138 Å²	138	58.1 Å²	58.1	60%	0.6	32%	0.315	S	S	*	.			trans	-112.2	98	167.9	-68.7	-173.9	-178.3	-175.8	0	108	L158	K102-L158 HydrophobicContact CB-CD1 4.1Å; K102-L158 HydrophobicContact CG-CD1 4.5Å
103	P	91.6	Very high	93.5	Very high	16 Å²	16	66.3 Å²	66.3	10%	0.104	35%	0.35	C	S	.	.			trans	-53.7	140	178.3	-28.9	36.1	0	0	0	112.5	A101 V105 L158 Q162	A101-P103 WeakPolarHBondContact O-CD 3.24Å; P103-V105 PolarHBondContact O-N 2.92Å; P103-L158 HydrophobicContact CB-CB 4.35Å; P103-L158 HydrophobicContact CG-CB 4.28Å; P103-Q162 HydrophobicContact CB-CB 4.31Å; P103-Q162 HydrophobicContact CG-CB 4.39Å
104	G	92.1	Very high	93.6	Very high	66 Å²	66	65.9 Å²	65.9	68%	0.68	35%	0.348	S	S	*	.			trans	-71.9	116.6	173.4	0	0	0	0	0	111	R165	G104-R165 PolarHBondContact O-NH2 2.89Å
105	V	94.8	Very high	93.6	Very high	27 Å²	27	67.7 Å²	67.7	16%	0.164	37%	0.373	C	S	.	.			trans	-130.2	128.8	176.2	-173.6	0	0	0	0	109.1	P103 Y107 F125 L158 V161	P103-V105 PolarHBondContact O-N 2.92Å; V105-Y107 HydrophobicContact CB-CE1 4.44Å; V105-Y107 HydrophobicContact CB-CE2 4.07Å; V105-Y107 HydrophobicContact CG1-CD1 3.83Å; V105-Y107 HydrophobicContact CG1-CD2 4.2Å; V105-Y107 HydrophobicContact CG1-CE1 3.41Å; V105-Y107 VanDerWaalsContact CG1-CE1 3.41Å; V105-Y107 HydrophobicContact CG1-CE2 3.83Å; V105-Y107 HydrophobicContact CG1-CG 4.21Å; V105-Y107 VanDerWaalsContact CG1-CZ 3.43Å; V105-F125 HydrophobicContact CG1-CB 4.44Å; V105-F125 HydrophobicContact CG1-CD2 3.89Å; V105-F125 HydrophobicContact CG1-CG 4.36Å; V105-L158 HydrophobicContact CB-CD2 3.96Å; V105-L158 HydrophobicContact CG2-CD2 3.73Å; V105-V161 HydrophobicContact CG1-CG1 3.86Å; V105-V161 HydrophobicContact CG2-CB 4.42Å; V105-V161 HydrophobicContact CG2-CG1 4.08Å
106	V	94.8	Very high	93.8	Very high	132 Å²	132	67.9 Å²	67.9	80%	0.8	38%	0.375	S	S	*	.			trans	-100.7	122.4	170.7	-178.9	0	0	0	0	106.9
107	Y	97.1	Very high	94	Very high	50 Å²	50	69.5 Å²	69.5	20%	0.196	39%	0.392	C	S	.	.			trans	-106.8	144.7	179.5	-64.6	-68.8	0	0	0	111	V105 D123 W124 F125 S152 L158 V161 V173	V105-Y107 HydrophobicContact CB-CE1 4.44Å; V105-Y107 HydrophobicContact CB-CE2 4.07Å; V105-Y107 HydrophobicContact CG1-CD1 3.83Å; V105-Y107 HydrophobicContact CG1-CD2 4.2Å; V105-Y107 HydrophobicContact CG1-CE1 3.41Å; V105-Y107 VanDerWaalsContact CG1-CE1 3.41Å; V105-Y107 HydrophobicContact CG1-CE2 3.83Å; V105-Y107 HydrophobicContact CG1-CG 4.21Å; V105-Y107 VanDerWaalsContact CG1-CZ 3.43Å; Y107-D123 HydrophobicContact CD1-CB 3.87Å; Y107-D123 HydrophobicContact CD2-CB 4.3Å; Y107-D123 HydrophobicContact CE1-CB 4.43Å; Y107-D123 HydrophobicContact CG-CB 3.78Å; Y107-W124 CarbonylContact C-O 3.58Å; Y107-W124 VanDerWaalsContact CA-O 3.3Å; Y107-W124 WeakPolarHBondContact CA-O 3.34Å; Y107-F125 HydrophobicContact CD1-CB 4.14Å; Y107-F125 HydrophobicContact CE1-CB 4.12Å; Y107-S152 PolarHBondContact OH-O 2.9Å; Y107-S152 VanDerWaalsContact OH-O 3.13Å; Y107-L158 HydrophobicContact CE2-CD2 4.23Å; Y107-V161 HydrophobicContact CE1-CG2 4.26Å; Y107-V173 HydrophobicContact CE1-CG2 4.11Å
108	R	96.6	Very high	94.4	Very high	106 Å²	106	67.1 Å²	67.1	40%	0.4	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.1	159.6	176.5	179.7	61.7	79.2	0.9	107.9	E110 W124 D126	R108-E110 IonicContact NH1-OE2 2.79Å; R108-W124 HydrophobicContact CB-CB 4.32Å; R108-W124 PolarHBondContact N-O 2.81Å; R108-W124 VanDerWaalsContact NH2-CG 3.28Å; R108-W124 WeakPolarHBondContact O-CB 3.15Å; R108-W124 PolarHBondContact O-N 3.24Å; R108-D126 IonicContact CZ-OD2 2.91Å; R108-D126 IonicContact NE-OD2 3.24Å; R108-D126 PolarHBondContact NE-OD2 2.69Å; R108-D126 IonicContact NH2-OD1 3.95Å; R108-D126 PolarHBondContact NH2-OD1 2.77Å; R108-D126 IonicContact NH2-OD2 3.68Å; R108-D126 PolarHBondContact NH2-OD2 3.01Å
109	N	97.1	Very high	94.7	Very high	78 Å²	78	60.7 Å²	60.7	42%	0.417	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.5	176.8	-175	-101.1	0	0	0	110.9	S121 V122 D123	N109-S121 PolarHBondContact ND2-OG 3.38Å; N109-V122 WeakPolarHBondContact CA-O 3.44Å; N109-V122 PolarHBondContact ND2-O 2.99Å; N109-D123 PolarHBondContact ND2-OD1 3.4Å
110	E	97.3	Very high	94.9	Very high	52 Å²	52	59.4 Å²	59.4	24%	0.243	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.9	171.5	177.6	-176.4	-178.1	0	0	109.8	R108 I112 V122 W124 H204	R108-E110 IonicContact NH1-OE2 2.79Å; E110-I112 HydrophobicContact CG-CG1 4.42Å; E110-V122 HydrophobicContact CB-CG2 3.85Å; E110-V122 HydrophobicContact CG-CG2 4.39Å; E110-V122 PolarHBondContact N-O 3.06Å; E110-V122 WeakPolarHBondContact O-CG2 2.93Å; E110-V122 PolarHBondContact O-N 2.7Å; E110-W124 VanDerWaalsContact OE2-CE2 3.29Å; E110-W124 WeakPolarHBondContact OE2-CZ2 3.46Å; E110-W124 PolarHBondContact OE2-NE1 2.84Å; E110-H204 IonicContact OE1-CD2 2.81Å; E110-H204 IonicContact OE1-CE1 3.29Å; E110-H204 PolarHBondContact OE1-CE1 3.46Å; E110-H204 VanDerWaalsContact OE1-CE1 3.24Å; E110-H204 IonicContact OE1-NE2 3.77Å; E110-H204 PolarHBondContact OE1-NE2 2.91Å; E110-H204 IonicContact OE2-NE2 3.97Å
111	L	97.1	Very high	95.2	Very high	85 Å²	85	59.1 Å²	59.1	45%	0.445	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	104.9	175.8	-63.1	174.3	0	0	0	109.3	I120 E182	L111-I120 CarbonylContact C-O 3.58Å; L111-I120 WeakPolarHBondContact CA-O 3.3Å; L111-E182 HydrophobicContact CD2-CB 4.37Å
112	I	96.9	Very high	95.6	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.056	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127	177.7	-61.4	169.6	0	0	0	108.6	E110 A114 Q119 I120 V122 T200 V201 H204	E110-I112 HydrophobicContact CG-CG1 4.42Å; I112-A114 PolarHBondContact O-N 3.15Å; I112-Q119 CarbonylContact O-C 3.51Å; I112-Q119 WeakPolarHBondContact O-CA 3.48Å; I112-I120 HydrophobicContact CB-CB 4.4Å; I112-I120 PolarHBondContact N-O 3.12Å; I112-I120 PolarHBondContact O-N 3.37Å; I112-V122 HydrophobicContact CD1-CG1 3.87Å; I112-V122 HydrophobicContact CD1-CG2 3.79Å; I112-V122 HydrophobicContact CG1-CG2 4.15Å; I112-T200 HydrophobicContact CG2-CG2 4.03Å; I112-V201 HydrophobicContact CD1-CG2 4Å; I112-H204 HydrophobicContact CD1-CB 4.08Å; I112-H204 VanDerWaalsContact CD1-CD2 3.42Å; I112-H204 WeakPolarHBondContact CD1-CD2 3.42Å
113	K	95.9	Very high	95.9	Very high	172 Å²	172	50.9 Å²	50.9	75%	0.748	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	128.2	175.9	-173.1	176.7	-178.9	179.8	0	110.3
114	A	95.5	Very high	96.2	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.041	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-92.1	161	176.1	0	0	0	0	0	112.7	I112 D116 G117 G118 I120	I112-A114 PolarHBondContact O-N 3.15Å; A114-D116 VanDerWaalsContact C-N 3.26Å; A114-D116 VanDerWaalsContact CB-OD1 3.24Å; A114-D116 WeakPolarHBondContact CB-OD1 3.45Å; A114-D116 PolarHBondContact O-N 3.4Å; A114-G117 PolarHBondContact O-N 2.97Å; A114-G118 PolarHBondContact N-O 3.42Å; A114-I120 HydrophobicContact CB-CD1 4.11Å; A114-I120 HydrophobicContact CB-CG1 4.32Å
115	A	94.5	Very high	96.5	Very high	111 Å²	111	48.3 Å²	48.3	92%	0.917	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.2	-176.4	0	0	0	0	0	113.7	G117	A115-G117 PolarHBondContact O-N 2.87Å
116	D	95.1	Very high	96.6	Very high	68 Å²	68	48 Å²	48	36%	0.364	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	1.1	176.3	69.4	-33.4	0	0	0	113.3	A114 G118 R177 T186 R188	A114-D116 VanDerWaalsContact C-N 3.26Å; A114-D116 VanDerWaalsContact CB-OD1 3.24Å; A114-D116 WeakPolarHBondContact CB-OD1 3.45Å; A114-D116 PolarHBondContact O-N 3.4Å; D116-G118 VanDerWaalsContact C-N 3.28Å; D116-G118 PolarHBondContact OD1-N 2.94Å; D116-G118 VanDerWaalsContact OD1-N 3.13Å; D116-R177 VanDerWaalsContact CG-NH1 3.29Å; D116-R177 IonicContact OD1-CZ 3.43Å; D116-R177 IonicContact OD1-NH1 2.87Å; D116-R177 PolarHBondContact OD1-NH1 2.81Å; D116-R177 IonicContact OD1-NH2 3.2Å; D116-R177 PolarHBondContact OD1-NH2 2.89Å; D116-R177 IonicContact OD2-CZ 3.74Å; D116-R177 IonicContact OD2-NH1 3.72Å; D116-R177 PolarHBondContact OD2-NH1 3.44Å; D116-R177 IonicContact OD2-NH2 2.69Å; D116-T186 VanDerWaalsContact O-CG2 3.28Å; D116-T186 WeakPolarHBondContact O-CG2 3.18Å; D116-T186 PolarHBondContact OD2-OG1 3.49Å; D116-R188 WeakPolarHBondContact OD2-CD 3.33Å
117	G	95.1	Very high	96.7	Very high	37 Å²	37	42.6 Å²	42.6	38%	0.381	23%	0.229	S	C	.	.	S	Bend	trans	84.4	0.7	-173.3	0	0	0	0	0	113.8	A114 A115	A114-G117 PolarHBondContact O-N 2.97Å; A115-G117 PolarHBondContact O-N 2.87Å
118	G	95.7	Very high	96.5	Very high	2 Å²	2	45 Å²	45	2%	0.021	25%	0.245	C	C	.	.			trans	-74.3	-173.3	171.8	0	0	0	0	0	113	A114 D116	A114-G118 PolarHBondContact N-O 3.42Å; D116-G118 VanDerWaalsContact C-N 3.28Å; D116-G118 PolarHBondContact OD1-N 2.94Å; D116-G118 VanDerWaalsContact OD1-N 3.13Å
119	Q	95.6	Very high	96.3	Very high	37 Å²	37	47.3 Å²	47.3	17%	0.173	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.1	177.9	63.2	-173.1	-2.4	0	0	111.1	I112 T183 L185	I112-Q119 CarbonylContact O-C 3.51Å; I112-Q119 WeakPolarHBondContact O-CA 3.48Å; Q119-T183 PolarHBondContact NE2-O 2.9Å; Q119-L185 HydrophobicContact CB-CD1 4.36Å; Q119-L185 HydrophobicContact CG-CD1 4.06Å; Q119-L185 HydrophobicContact CG-CG 4.2Å
120	I	96.7	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.2	180	-58.1	162.1	0	0	0	107.5	L111 I112 A114 V122 F174 R177 D197 T200 V201	L111-I120 CarbonylContact C-O 3.58Å; L111-I120 WeakPolarHBondContact CA-O 3.3Å; I112-I120 HydrophobicContact CB-CB 4.4Å; I112-I120 PolarHBondContact N-O 3.12Å; I112-I120 PolarHBondContact O-N 3.37Å; A114-I120 HydrophobicContact CB-CD1 4.11Å; A114-I120 HydrophobicContact CB-CG1 4.32Å; I120-V122 HydrophobicContact CG2-CG1 4.49Å; I120-F174 HydrophobicContact CG2-CD2 3.97Å; I120-F174 HydrophobicContact CG2-CE2 3.57Å; I120-R177 HydrophobicContact CG1-CG 4.49Å; I120-D197 HydrophobicContact CD1-CB 3.69Å; I120-D197 HydrophobicContact CG1-CB 4.21Å; I120-T200 HydrophobicContact CD1-CG2 4.23Å; I120-V201 HydrophobicContact CD1-CG2 4.38Å; I120-V201 HydrophobicContact CG2-CG2 3.73Å
121	S	97.2	Very high	96.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127	179.5	179.6	0	0	0	0	110.6	N109 N175	N109-S121 PolarHBondContact ND2-OG 3.38Å; S121-N175 WeakPolarHBondContact O-CB 3.44Å; S121-N175 PolarHBondContact O-N 2.77Å
122	V	98	Very high	96	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.2	172.4	-62.3	0	0	0	0	110.7	N109 E110 I112 I120 V172 V173 V201	N109-V122 WeakPolarHBondContact CA-O 3.44Å; N109-V122 PolarHBondContact ND2-O 2.99Å; E110-V122 HydrophobicContact CB-CG2 3.85Å; E110-V122 HydrophobicContact CG-CG2 4.39Å; E110-V122 PolarHBondContact N-O 3.06Å; E110-V122 WeakPolarHBondContact O-CG2 2.93Å; E110-V122 PolarHBondContact O-N 2.7Å; I112-V122 HydrophobicContact CD1-CG1 3.87Å; I112-V122 HydrophobicContact CD1-CG2 3.79Å; I112-V122 HydrophobicContact CG1-CG2 4.15Å; I120-V122 HydrophobicContact CG2-CG1 4.49Å; V122-V172 HydrophobicContact CB-CG1 3.98Å; V122-V172 HydrophobicContact CG1-CG1 4.45Å; V122-V173 VanDerWaalsContact CA-O 3.3Å; V122-V173 WeakPolarHBondContact CA-O 3.24Å; V122-V201 HydrophobicContact CG1-CG1 3.97Å; V122-V201 HydrophobicContact CG1-CG2 4.03Å
123	D	98.4	Very high	95.9	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.064	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.4	178.8	-72.6	-40.4	0	0	0	110.4	Y107 N109 S152 V172 V173 N175	Y107-D123 HydrophobicContact CD1-CB 3.87Å; Y107-D123 HydrophobicContact CD2-CB 4.3Å; Y107-D123 HydrophobicContact CE1-CB 4.43Å; Y107-D123 HydrophobicContact CG-CB 3.78Å; N109-D123 PolarHBondContact ND2-OD1 3.4Å; D123-S152 WeakPolarHBondContact OD2-CB 3.29Å; D123-S152 PolarHBondContact OD2-OG 2.83Å; D123-V172 WeakPolarHBondContact O-CA 3.24Å; D123-V173 HydrophobicContact CB-CB 4.26Å; D123-V173 PolarHBondContact N-O 3.21Å; D123-V173 PolarHBondContact O-N 3.44Å; D123-N175 PolarHBondContact OD2-ND2 2.8Å
124	W	98.5	Very high	95.9	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.011	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.5	-178.1	-62.4	85.1	0	0	0	111.2	Y107 R108 E110 R170 V172 I205 Y209	Y107-W124 CarbonylContact C-O 3.58Å; Y107-W124 VanDerWaalsContact CA-O 3.3Å; Y107-W124 WeakPolarHBondContact CA-O 3.34Å; R108-W124 HydrophobicContact CB-CB 4.32Å; R108-W124 PolarHBondContact N-O 2.81Å; R108-W124 VanDerWaalsContact NH2-CG 3.28Å; R108-W124 WeakPolarHBondContact O-CB 3.15Å; R108-W124 PolarHBondContact O-N 3.24Å; E110-W124 VanDerWaalsContact OE2-CE2 3.29Å; E110-W124 WeakPolarHBondContact OE2-CZ2 3.46Å; E110-W124 PolarHBondContact OE2-NE1 2.84Å; W124-R170 HydrophobicContact CE3-CG 4.44Å; W124-V172 HydrophobicContact CD2-CG1 4.18Å; W124-V172 HydrophobicContact CD2-CG2 4.01Å; W124-V172 HydrophobicContact CE3-CB 4.44Å; W124-V172 HydrophobicContact CE3-CG1 4.39Å; W124-V172 HydrophobicContact CE3-CG2 3.38Å; W124-V172 HydrophobicContact CH2-CG1 4.49Å; W124-V172 HydrophobicContact CH2-CG2 3.87Å; W124-V172 HydrophobicContact CZ2-CG1 4.3Å; W124-V172 HydrophobicContact CZ2-CG2 4.44Å; W124-V172 HydrophobicContact CZ3-CG2 3.28Å; W124-I205 HydrophobicContact CH2-CB 4.39Å; W124-I205 HydrophobicContact CH2-CG1 3.79Å; W124-I205 HydrophobicContact CH2-CG2 4.23Å; W124-I205 HydrophobicContact CZ2-CG1 4.3Å; W124-I205 HydrophobicContact CZ3-CG2 4.49Å; W124-Y209 HydrophobicContact CH2-CE2 4.04Å; W124-Y209 HydrophobicContact CZ3-CD2 4.26Å; W124-Y209 AromaticContact CZ3-CE2 3.64Å; W124-Y209 HydrophobicContact CZ3-CE2 3.64Å
125	F	98.4	Very high	95.9	Very high	24 Å²	24	53.9 Å²	53.9	11%	0.105	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	95.8	159.2	176.7	-100.2	0	0	0	107.4	V105 Y107 N127 V161 R165 R170 C171	V105-F125 HydrophobicContact CG1-CB 4.44Å; V105-F125 HydrophobicContact CG1-CD2 3.89Å; V105-F125 HydrophobicContact CG1-CG 4.36Å; Y107-F125 HydrophobicContact CD1-CB 4.14Å; Y107-F125 HydrophobicContact CE1-CB 4.12Å; F125-N127 VanDerWaalsContact C-N 3.33Å; F125-N127 HydrophobicContact CD1-CB 4.09Å; F125-N127 HydrophobicContact CE1-CB 3.52Å; F125-N127 HydrophobicContact CZ-CB 4.08Å; F125-N127 PolarHBondContact O-N 3.32Å; F125-V161 HydrophobicContact CB-CG1 3.89Å; F125-V161 HydrophobicContact CD1-CG1 3.72Å; F125-V161 HydrophobicContact CD2-CG1 4.32Å; F125-V161 HydrophobicContact CE1-CG1 4.43Å; F125-V161 HydrophobicContact CG-CG1 3.68Å; F125-R165 HydrophobicContact CE1-CB 3.7Å; F125-R165 HydrophobicContact CE1-CG 3.87Å; F125-R165 VanDerWaalsContact CE2-NH2 3.26Å; F125-R165 HydrophobicContact CZ-CB 4.07Å; F125-R165 HydrophobicContact CZ-CG 3.77Å; F125-R170 WeakPolarHBondContact O-CA 3.19Å; F125-C171 HydrophobicContact CB-CB 4.21Å; F125-C171 PolarHBondContact N-O 3.33Å; F125-C171 PolarHBondContact O-N 2.96Å
126	D	96.6	Very high	95.9	Very high	22 Å²	22	51.3 Å²	51.3	12%	0.118	28%	0.278	C	S	.	.			trans	-71.7	-25.9	-168.3	-71.9	-56.9	0	0	0	113.5	R108 R139 R170	R108-D126 IonicContact CZ-OD2 2.91Å; R108-D126 IonicContact NE-OD2 3.24Å; R108-D126 PolarHBondContact NE-OD2 2.69Å; R108-D126 IonicContact NH2-OD1 3.95Å; R108-D126 PolarHBondContact NH2-OD1 2.77Å; R108-D126 IonicContact NH2-OD2 3.68Å; R108-D126 PolarHBondContact NH2-OD2 3.01Å; D126-R139 WeakPolarHBondContact O-CD 3.48Å; D126-R139 PolarHBondContact O-NH1 2.81Å; D126-R170 IonicContact OD1-NE 3.84Å
127	N	96.4	Very high	95.9	Very high	18 Å²	18	51.7 Å²	51.7	10%	0.096	28%	0.283	C	S	.	.			trans	55.1	47.9	-178.9	-157.3	15.7	0	0	0	113.3	F125 D129 S130 R139 R165 G168 Y169	F125-N127 VanDerWaalsContact C-N 3.33Å; F125-N127 HydrophobicContact CD1-CB 4.09Å; F125-N127 HydrophobicContact CE1-CB 3.52Å; F125-N127 HydrophobicContact CZ-CB 4.08Å; F125-N127 PolarHBondContact O-N 3.32Å; N127-D129 PolarHBondContact O-N 3.23Å; N127-S130 WeakPolarHBondContact O-CB 3.29Å; N127-S130 PolarHBondContact O-N 3.47Å; N127-S130 VanDerWaalsContact O-N 3.15Å; N127-R139 VanDerWaalsContact O-CZ 3.28Å; N127-R139 PolarHBondContact O-NE 3.49Å; N127-R139 PolarHBondContact O-NH1 2.89Å; N127-R165 PolarHBondContact ND2-O 2.75Å; N127-G168 VanDerWaalsContact ND2-CA 3.35Å; N127-G168 WeakPolarHBondContact ND2-CA 3.44Å; N127-Y169 WeakPolarHBondContact CB-O 3.49Å; N127-Y169 PolarHBondContact ND2-N 2.88Å; N127-Y169 PolarHBondContact ND2-O 3.2Å
128	D	94.2	Very high	96	Very high	100 Å²	100	52.8 Å²	52.8	54%	0.535	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.3	-173	-66.7	-38.2	0	0	0	114.2	S130 R139	D128-S130 PolarHBondContact O-N 3.03Å; D128-R139 IonicContact OD1-CZ 2.93Å; D128-R139 IonicContact OD1-NH1 3.11Å; D128-R139 PolarHBondContact OD1-NH1 2.97Å
129	D	92.8	Very high	96.1	Very high	155 Å²	155	52.8 Å²	52.8	83%	0.829	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	14.3	177.2	-56.3	-40.8	0	0	0	113.2	N127 L131	N127-D129 PolarHBondContact O-N 3.23Å; D129-L131 PolarHBondContact O-N 2.85Å
130	S	95.3	Very high	96.2	Very high	8 Å²	8	51 Å²	51	6%	0.056	27%	0.274	C	S	.	.			trans	-64.7	116	-179.2	178.6	0	0	0	0	112.1	N127 D128 F132 Y133 P134 G168	N127-S130 WeakPolarHBondContact O-CB 3.29Å; N127-S130 PolarHBondContact O-N 3.47Å; N127-S130 VanDerWaalsContact O-N 3.15Å; D128-S130 PolarHBondContact O-N 3.03Å; S130-F132 VanDerWaalsContact C-N 3.34Å; S130-Y133 CarbonylContact O-C 3.57Å; S130-Y133 PolarHBondContact OG-N 3.49Å; S130-Y133 VanDerWaalsContact OG-N 3.11Å; S130-P134 WeakPolarHBondContact O-CA 3.33Å; S130-G168 WeakPolarHBondContact OG-CA 3.39Å; S130-G168 PolarHBondContact OG-O 3.17Å
131	L	94.1	Very high	96.3	Very high	165 Å²	165	51.1 Å²	51.1	86%	0.864	27%	0.274	S	S	*	.	S	Bend	trans	-74.8	-23.7	174.2	-60.7	179	0	0	0	113	D129	D129-L131 PolarHBondContact O-N 2.85Å
132	F	95.1	Very high	96.4	Very high	149 Å²	149	51 Å²	51	65%	0.654	27%	0.274	S	S	*	.	S	Bend	trans	-81.5	-33.6	179.3	-58.7	-71.7	0	0	0	112.1	S130	S130-F132 VanDerWaalsContact C-N 3.34Å
133	Y	95.8	Very high	96.4	Very high	58 Å²	58	51 Å²	51	23%	0.227	27%	0.274	C	S	.	.			trans	-135.7	74.4	-179.2	-61.7	-82.8	0	0	0	110.5	S130 D135 R139 P140 L167 G168 Y169	S130-Y133 CarbonylContact O-C 3.57Å; S130-Y133 PolarHBondContact OG-N 3.49Å; S130-Y133 VanDerWaalsContact OG-N 3.11Å; Y133-D135 VanDerWaalsContact C-N 3.32Å; Y133-D135 PolarHBondContact O-N 3Å; Y133-R139 PolarHBondContact O-NE 2.82Å; Y133-R139 PolarHBondContact O-NH2 2.98Å; Y133-R139 VanDerWaalsContact O-NH2 3.13Å; Y133-P140 HydrophobicContact CD1-CG 3.99Å; Y133-P140 HydrophobicContact CD2-CG 4.34Å; Y133-P140 HydrophobicContact CE1-CG 3.67Å; Y133-P140 HydrophobicContact CE2-CG 4.07Å; Y133-P140 VanDerWaalsContact CG-CD 3.5Å; Y133-P140 HydrophobicContact CG-CG 4.3Å; Y133-L167 WeakPolarHBondContact CE2-O 3.48Å; Y133-G168 WeakPolarHBondContact CD2-O 3.49Å; Y133-Y169 HydrophobicContact CD2-CD1 4.13Å; Y133-Y169 HydrophobicContact CD2-CE1 4.28Å; Y133-Y169 AromaticContact CE2-CD1 3.83Å; Y133-Y169 HydrophobicContact CE2-CD1 3.83Å; Y133-Y169 AromaticContact CE2-CE1 3.51Å; Y133-Y169 HydrophobicContact CE2-CE1 3.51Å
134	P	94.5	Very high	96.4	Very high	97 Å²	97	50.4 Å²	50.4	63%	0.63	27%	0.271	S	S	*	.			trans	-69.5	-30	-175.9	27.4	-34.8	0	0	0	112.5	S130 P136 R139	S130-P134 WeakPolarHBondContact O-CA 3.33Å; P134-P136 VanDerWaalsContact O-CD 3.32Å; P134-P136 WeakPolarHBondContact O-CD 3.27Å; P134-R139 PolarHBondContact O-NH2 3.11Å
135	D	96.3	Very high	96.5	Very high	64 Å²	64	50.3 Å²	50.3	34%	0.342	27%	0.27	S	S	.	.			trans	-77.8	113.7	176.4	171.4	16.3	0	0	0	110.9	Y133 T137 T138 R139	Y133-D135 VanDerWaalsContact C-N 3.32Å; Y133-D135 PolarHBondContact O-N 3Å; D135-T137 PolarHBondContact O-N 2.87Å; D135-T137 WeakPolarHBondContact OD1-CB 3.3Å; D135-T137 PolarHBondContact OD1-N 3.22Å; D135-T137 PolarHBondContact OD1-OG1 2.84Å; D135-T137 PolarHBondContact OD2-OG1 2.92Å; D135-T138 PolarHBondContact O-N 3.02Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.21Å; D135-T138 PolarHBondContact OD2-OG1 3.14Å; D135-R139 PolarHBondContact O-N 3.23Å
136	P	94.4	Very high	96.4	Very high	56 Å²	56	49.2 Å²	49.2	36%	0.364	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.7	-178.5	28.7	-35.6	0	0	0	113.3	P134 R170 Y209	P134-P136 VanDerWaalsContact O-CD 3.32Å; P134-P136 WeakPolarHBondContact O-CD 3.27Å; P136-R170 PolarHBondContact O-NH1 2.75Å; P136-R170 PolarHBondContact O-NH2 3.08Å; P136-Y209 WeakPolarHBondContact O-CD1 3.47Å
137	T	95.6	Very high	96.4	Very high	76 Å²	76	48.3 Å²	48.3	47%	0.466	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-26.9	-177.1	71.5	0	0	0	0	112.8	D135 A212	D135-T137 PolarHBondContact O-N 2.87Å; D135-T137 WeakPolarHBondContact OD1-CB 3.3Å; D135-T137 PolarHBondContact OD1-N 3.22Å; D135-T137 PolarHBondContact OD1-OG1 2.84Å; D135-T137 PolarHBondContact OD2-OG1 2.92Å; T137-A212 PolarHBondContact O-N 2.93Å
138	T	96.4	Very high	96.2	Very high	60 Å²	60	49.7 Å²	49.7	37%	0.368	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-5.4	-179.6	52.6	0	0	0	0	113	D135 P140 A211	D135-T138 PolarHBondContact O-N 3.02Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.21Å; D135-T138 PolarHBondContact OD2-OG1 3.14Å; T138-P140 WeakPolarHBondContact O-CD 3.12Å; T138-A211 HydrophobicContact CG2-CB 4.1Å
139	R	97.8	Very high	96	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.008	25%	0.253	C	S	.	.			trans	-56.9	120.1	-179.5	-172.7	174.7	-57.8	136.8	4.2	111.7	D126 N127 D128 Y133 P134 D135 T141 R170 A212	D126-R139 WeakPolarHBondContact O-CD 3.48Å; D126-R139 PolarHBondContact O-NH1 2.81Å; N127-R139 VanDerWaalsContact O-CZ 3.28Å; N127-R139 PolarHBondContact O-NE 3.49Å; N127-R139 PolarHBondContact O-NH1 2.89Å; D128-R139 IonicContact OD1-CZ 2.93Å; D128-R139 IonicContact OD1-NH1 3.11Å; D128-R139 PolarHBondContact OD1-NH1 2.97Å; Y133-R139 PolarHBondContact O-NE 2.82Å; Y133-R139 PolarHBondContact O-NH2 2.98Å; Y133-R139 VanDerWaalsContact O-NH2 3.13Å; P134-R139 PolarHBondContact O-NH2 3.11Å; D135-R139 PolarHBondContact O-N 3.23Å; R139-T141 PolarHBondContact O-N 3.29Å; R139-T141 PolarHBondContact O-OG1 2.9Å; R139-R170 HydrophobicContact CG-CB 4.28Å; R139-A212 WeakPolarHBondContact O-CB 3.26Å
140	P	98.3	Very high	96	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.215	C	C	.	.			trans	-53.6	139.1	178	-26.4	33.9	0	0	0	111.9	Y133 T138 Y169 R170 P213 I402	Y133-P140 HydrophobicContact CD1-CG 3.99Å; Y133-P140 HydrophobicContact CD2-CG 4.34Å; Y133-P140 HydrophobicContact CE1-CG 3.67Å; Y133-P140 HydrophobicContact CE2-CG 4.07Å; Y133-P140 VanDerWaalsContact CG-CD 3.5Å; Y133-P140 HydrophobicContact CG-CG 4.3Å; T138-P140 WeakPolarHBondContact O-CD 3.12Å; P140-Y169 HydrophobicContact CB-CD1 3.61Å; P140-Y169 HydrophobicContact CB-CE1 3.93Å; P140-Y169 HydrophobicContact CB-CG 3.98Å; P140-Y169 HydrophobicContact CG-CD1 3.79Å; P140-Y169 HydrophobicContact CG-CE1 3.85Å; P140-Y169 WeakPolarHBondContact O-CA 3.49Å; P140-R170 PolarHBondContact O-N 2.84Å; P140-P213 WeakPolarHBondContact CA-O 3.49Å; P140-P213 HydrophobicContact CB-CG 4.01Å; P140-P213 HydrophobicContact CG-CG 3.97Å; P140-I402 HydrophobicContact CB-CD1 4.16Å; P140-I402 HydrophobicContact CB-CG1 4.24Å; P140-I402 HydrophobicContact CB-CG2 3.64Å; P140-I402 HydrophobicContact CG-CG2 3.52Å
141	T	98.5	Very high	96	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.6	-175.7	-61.1	0	0	0	0	111	R139 R170 V172 I205 P213 M214 M215	R139-T141 PolarHBondContact O-N 3.29Å; R139-T141 PolarHBondContact O-OG1 2.9Å; T141-R170 CarbonylContact C-O 3.44Å; T141-R170 WeakPolarHBondContact CA-O 3.25Å; T141-R170 HydrophobicContact CG2-CG 4.28Å; T141-V172 HydrophobicContact CG2-CG2 3.82Å; T141-I205 HydrophobicContact CG2-CG2 3.84Å; T141-P213 PolarHBondContact N-O 3.13Å; T141-M214 VanDerWaalsContact O-CA 3.3Å; T141-M214 WeakPolarHBondContact O-CA 3.26Å; T141-M215 PolarHBondContact O-N 2.94Å
142	V	98.8	Very high	96.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.7	174.2	-171.9	0	0	0	0	109.8	L144 Y169 R170 C171 V172 M215 F394	V142-L144 HydrophobicContact CG1-CD2 3.59Å; V142-L144 HydrophobicContact CG1-CG 4.28Å; V142-Y169 HydrophobicContact CG2-CD2 3.9Å; V142-R170 PolarHBondContact N-O 3.31Å; V142-C171 WeakPolarHBondContact O-CA 3.24Å; V142-V172 PolarHBondContact O-N 3.4Å; V142-M215 WeakPolarHBondContact CA-O 3.31Å; V142-M215 HydrophobicContact CB-CG 4.33Å; V142-M215 HydrophobicContact CG1-CG 4.1Å; V142-M215 HydrophobicContact CG1-SD 4.47Å; V142-M215 HydrophobicContact CG2-CG 3.87Å; V142-M215 HydrophobicContact CG2-SD 4.15Å; V142-F394 HydrophobicContact CG1-CE2 4.05Å; V142-F394 HydrophobicContact CG1-CZ 3.99Å
143	L	98.9	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.3	171.2	178.1	60.5	0	0	0	110	L145 V172 F174 L198 V201 I202 I205 M215 A216 A217	L143-L145 HydrophobicContact CD2-CD1 4.15Å; L143-L145 HydrophobicContact CG-CD1 3.8Å; L143-V172 CarbonylContact C-O 3.28Å; L143-V172 WeakPolarHBondContact CA-O 3.45Å; L143-V172 HydrophobicContact CD1-CB 4.14Å; L143-V172 HydrophobicContact CD1-CG1 4.33Å; L143-V172 WeakPolarHBondContact CD1-O 3.4Å; L143-F174 HydrophobicContact CD1-CB 4.03Å; L143-L198 HydrophobicContact CD2-CD1 3.84Å; L143-V201 HydrophobicContact CD1-CG1 4.1Å; L143-I202 HydrophobicContact CD2-CD1 4.12Å; L143-I202 HydrophobicContact CD2-CG1 3.48Å; L143-I202 VanDerWaalsContact CD2-CG1 3.48Å; L143-I205 HydrophobicContact CD1-CD1 3.88Å; L143-I205 HydrophobicContact CD2-CD1 4.46Å; L143-M215 PolarHBondContact N-O 3.06Å; L143-A216 HydrophobicContact CB-CB 4.11Å; L143-A216 CarbonylContact O-C 3.57Å; L143-A216 WeakPolarHBondContact O-CA 3.24Å; L143-A217 PolarHBondContact O-N 2.92Å
144	L	98.9	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.8	-177.1	-58.2	178.8	0	0	0	110.6	V142 I157 M160 V161 C171 V172 V173 F174 A217 F394	V142-L144 HydrophobicContact CG1-CD2 3.59Å; V142-L144 HydrophobicContact CG1-CG 4.28Å; L144-I157 HydrophobicContact CB-CD1 4.16Å; L144-I157 HydrophobicContact CD1-CG2 4.19Å; L144-M160 HydrophobicContact CD1-CB 3.91Å; L144-M160 HydrophobicContact CD2-CB 4.06Å; L144-M160 HydrophobicContact CD2-SD 3.98Å; L144-V161 HydrophobicContact CD1-CG2 3.5Å; L144-V161 VanDerWaalsContact CD1-CG2 3.5Å; L144-C171 HydrophobicContact CD1-CB 4.31Å; L144-V172 PolarHBondContact N-O 2.98Å; L144-V173 HydrophobicContact CB-CG2 4.34Å; L144-V173 HydrophobicContact CD1-CG2 4.38Å; L144-V173 WeakPolarHBondContact O-CA 3.49Å; L144-F174 PolarHBondContact O-N 3.21Å; L144-A217 CarbonylContact C-O 3.58Å; L144-A217 WeakPolarHBondContact CA-O 3.4Å; L144-A217 HydrophobicContact CD2-CB 3.84Å; L144-F394 HydrophobicContact CD2-CE2 4.07Å; L144-F394 HydrophobicContact CD2-CZ 4.16Å
145	L	98.6	Very high	96	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.3	178.1	-76	80	0	0	0	110.6	L143 F174 L198 A217 G218 V219 M225 L226	L143-L145 HydrophobicContact CD2-CD1 4.15Å; L143-L145 HydrophobicContact CG-CD1 3.8Å; L145-F174 HydrophobicContact CD2-CD1 4.07Å; L145-F174 HydrophobicContact CG-CB 4.24Å; L145-F174 HydrophobicContact CG-CD1 3.95Å; L145-F174 HydrophobicContact CG-CG 4.48Å; L145-L198 HydrophobicContact CD1-CD1 4.14Å; L145-L198 HydrophobicContact CD2-CD1 3.9Å; L145-L198 HydrophobicContact CD2-CD2 3.98Å; L145-L198 HydrophobicContact CG-CD1 4.44Å; L145-A217 PolarHBondContact N-O 2.87Å; L145-G218 WeakPolarHBondContact O-CA 3.45Å; L145-V219 PolarHBondContact O-N 3.5Å; L145-M225 HydrophobicContact CD2-CB 4.06Å; L145-L226 HydrophobicContact CD1-CD1 4.1Å; L145-L226 HydrophobicContact CD1-CD2 3.92Å; L145-L226 HydrophobicContact CD1-CG 4.03Å; L145-L226 HydrophobicContact CD2-CD2 4.34Å; L145-L226 HydrophobicContact CD2-CG 4.03Å
146	P	97.7	Very high	95.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	14%	0.143	C	C	.	.			trans	-62.8	163	170.5	-17.2	30.5	0	0	0	113.1	I157 V173 F174 G222	P146-I157 HydrophobicContact CB-CD1 4.38Å; P146-I157 HydrophobicContact CB-CG1 4.3Å; P146-I157 HydrophobicContact CG-CD1 4.09Å; P146-I157 HydrophobicContact CG-CG1 4.07Å; P146-V173 HydrophobicContact CG-CG1 3.8Å; P146-F174 WeakPolarHBondContact CD-O 3.39Å; P146-G222 WeakPolarHBondContact O-CA 3.44Å; P146-G222 PolarHBondContact O-N 2.78Å
147	G	95.4	Very high	96.1	Very high	3 Å²	3	25.1 Å²	25.1	3%	0.031	13%	0.126	C	C	.	.			trans	-73.9	-172.7	172.2	0	0	0	0	0	113.7	T149 G150 Y156 V219	G147-T149 PolarHBondContact O-N 3.44Å; G147-G150 PolarHBondContact O-N 3.47Å; G147-Y156 PolarHBondContact N-OH 3.4Å; G147-V219 WeakPolarHBondContact CA-O 2.98Å; G147-V219 PolarHBondContact N-O 2.85Å
148	L	93.5	Very high	96.1	Very high	46 Å²	46	22.2 Å²	22.2	24%	0.241	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	126.6	178.1	-178	65.9	0	0	0	110.4	G150 Y190 M221 L275	L148-G150 PolarHBondContact O-N 3.35Å; L148-Y190 HydrophobicContact CD1-CE2 4.15Å; L148-M221 HydrophobicContact CB-CB 4.18Å; L148-M221 HydrophobicContact CB-SD 4.06Å; L148-M221 HydrophobicContact CD1-SD 3.52Å; L148-M221 VanDerWaalsContact CD1-SD 3.52Å; L148-M221 HydrophobicContact CG-SD 4.41Å; L148-L275 HydrophobicContact CD1-CD2 3.73Å; L148-L275 HydrophobicContact CD1-CG 4.5Å; L148-L275 HydrophobicContact CD2-CD1 4.21Å; L148-L275 HydrophobicContact CG-CD2 4.33Å
149	T	89	Confident	96.1	Very high	35 Å²	35	19.4 Å²	19.4	22%	0.215	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	4.9	-175.3	68.4	0	0	0	0	116.3	G147 V179 Y190 C274 L275	G147-T149 PolarHBondContact O-N 3.44Å; T149-V179 WeakPolarHBondContact O-CG1 3.17Å; T149-Y190 PolarHBondContact N-OH 3.01Å; T149-C274 HydrophobicContact CG2-CB 3.95Å; T149-L275 HydrophobicContact CG2-CD2 3.97Å; T149-L275 HydrophobicContact CG2-CG 4.24Å
150	G	93	Very high	96.1	Very high	3 Å²	3	19.3 Å²	19.3	3%	0.031	9%	0.09	C	C	.	.			trans	-79.3	160.6	178.4	0	0	0	0	0	113.4	G147 L148	G147-G150 PolarHBondContact O-N 3.47Å; L148-G150 PolarHBondContact O-N 3.35Å
151	T	95.8	Very high	96.1	Very high	18 Å²	18	19.3 Å²	19.3	11%	0.11	9%	0.089	C	C	.	.			trans	-136.4	-178.2	177.4	63.4	0	0	0	0	111.2	R153 E154 N175 V179	T151-R153 PolarHBondContact O-N 2.82Å; T151-R153 PolarHBondContact OG1-N 3.24Å; T151-E154 WeakPolarHBondContact O-CG 3.38Å; T151-E154 PolarHBondContact O-N 3.14Å; T151-E154 VanDerWaalsContact O-N 3.13Å; T151-N175 WeakPolarHBondContact CA-OD1 3.35Å; T151-V179 HydrophobicContact CG2-CB 4.44Å; T151-V179 HydrophobicContact CG2-CG1 3.65Å
152	S	96.8	Very high	96.1	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.021	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-11.9	169.3	63.1	0	0	0	0	116.1	Y107 D123 L158 N175	Y107-S152 PolarHBondContact OH-O 2.9Å; Y107-S152 VanDerWaalsContact OH-O 3.13Å; D123-S152 WeakPolarHBondContact OD2-CB 3.29Å; D123-S152 PolarHBondContact OD2-OG 2.83Å; S152-L158 WeakPolarHBondContact O-CD2 3.16Å; S152-N175 PolarHBondContact N-OD1 2.87Å
153	R	94.7	Very high	96	Very high	193 Å²	193	23 Å²	23	73%	0.728	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.9	179.6	-57.6	-176.5	179.3	-172.4	-0.3	113.8	T151	T151-R153 PolarHBondContact O-N 2.82Å; T151-R153 PolarHBondContact OG1-N 3.24Å
154	E	94.6	Very high	95.9	Very high	68 Å²	68	23 Å²	23	32%	0.318	11%	0.107	S	C	.	.	S	Bend	trans	-66	137.9	179.2	-66.4	-52.9	143.5	0	0	111.4	T151 Y156 I157 L158	T151-E154 WeakPolarHBondContact O-CG 3.38Å; T151-E154 PolarHBondContact O-N 3.14Å; T151-E154 VanDerWaalsContact O-N 3.13Å; E154-Y156 VanDerWaalsContact C-N 3.26Å; E154-Y156 HydrophobicContact CB-CD1 4.09Å; E154-Y156 HydrophobicContact CB-CD2 4.47Å; E154-Y156 HydrophobicContact CB-CE1 3.62Å; E154-Y156 HydrophobicContact CB-CE2 4.08Å; E154-Y156 HydrophobicContact CB-CG 4.47Å; E154-Y156 HydrophobicContact CG-CE1 4.01Å; E154-Y156 PolarHBondContact O-N 3.14Å; E154-I157 HydrophobicContact CB-CB 4.44Å; E154-I157 HydrophobicContact CB-CG1 4.08Å; E154-I157 WeakPolarHBondContact O-CB 3.38Å; E154-I157 PolarHBondContact O-N 2.95Å; E154-L158 WeakPolarHBondContact O-CG 3.18Å; E154-L158 PolarHBondContact O-N 3.02Å
155	S	93.6	Very high	95.9	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.028	12%	0.121	C	C	.	.	H	α-helix	trans	-54.6	-40.9	-176.7	155.3	0	0	0	0	112	T100 I157 L158 H159	T100-S155 PolarHBondContact OG1-OG 3.22Å; S155-I157 VanDerWaalsContact C-N 3.34Å; S155-I157 PolarHBondContact O-N 3.42Å; S155-L158 PolarHBondContact O-N 3.01Å; S155-H159 PolarHBondContact O-N 2.85Å; S155-H159 PolarHBondContact O-ND1 2.87Å; S155-H159 PolarHBondContact OG-CE1 3.46Å; S155-H159 VanDerWaalsContact OG-CE1 3.31Å; S155-H159 PolarHBondContact OG-ND1 3.16Å
156	Y	94.6	Very high	95.7	Very high	12 Å²	12	30.4 Å²	30.4	5%	0.047	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-35.1	178.1	52.9	-96	0	0	0	112.7	R96 G147 E154 M160 V219 I376	R96-Y156 VanDerWaalsContact NH1-N 3.15Å; G147-Y156 PolarHBondContact N-OH 3.4Å; E154-Y156 VanDerWaalsContact C-N 3.26Å; E154-Y156 HydrophobicContact CB-CD1 4.09Å; E154-Y156 HydrophobicContact CB-CD2 4.47Å; E154-Y156 HydrophobicContact CB-CE1 3.62Å; E154-Y156 HydrophobicContact CB-CE2 4.08Å; E154-Y156 HydrophobicContact CB-CG 4.47Å; E154-Y156 HydrophobicContact CG-CE1 4.01Å; E154-Y156 PolarHBondContact O-N 3.14Å; Y156-M160 WeakPolarHBondContact O-CG 3.33Å; Y156-M160 PolarHBondContact O-N 3.45Å; Y156-V219 HydrophobicContact CD2-CB 3.93Å; Y156-V219 HydrophobicContact CD2-CG1 4.12Å; Y156-V219 HydrophobicContact CD2-CG2 3.49Å; Y156-V219 VanDerWaalsContact CD2-CG2 3.49Å; Y156-V219 HydrophobicContact CE2-CB 3.66Å; Y156-V219 HydrophobicContact CE2-CG1 3.99Å; Y156-V219 HydrophobicContact CE2-CG2 3.7Å; Y156-V219 HydrophobicContact CG-CG1 4.41Å; Y156-V219 HydrophobicContact CG-CG2 4.31Å; Y156-I376 HydrophobicContact CD1-CD1 4.14Å; Y156-I376 HydrophobicContact CE1-CD1 4.14Å
157	I	97.4	Very high	95.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-67.6	-46.2	175.7	-61.7	-62.2	0	0	0	109.9	L144 P146 E154 S155 H159 M160 V161 V173	L144-I157 HydrophobicContact CB-CD1 4.16Å; L144-I157 HydrophobicContact CD1-CG2 4.19Å; P146-I157 HydrophobicContact CB-CD1 4.38Å; P146-I157 HydrophobicContact CB-CG1 4.3Å; P146-I157 HydrophobicContact CG-CD1 4.09Å; P146-I157 HydrophobicContact CG-CG1 4.07Å; E154-I157 HydrophobicContact CB-CB 4.44Å; E154-I157 HydrophobicContact CB-CG1 4.08Å; E154-I157 WeakPolarHBondContact O-CB 3.38Å; E154-I157 PolarHBondContact O-N 2.95Å; S155-I157 VanDerWaalsContact C-N 3.34Å; S155-I157 PolarHBondContact O-N 3.42Å; I157-H159 VanDerWaalsContact C-N 3.31Å; I157-H159 PolarHBondContact O-N 3.06Å; I157-M160 PolarHBondContact O-N 2.83Å; I157-M160 VanDerWaalsContact O-N 3.14Å; I157-V161 HydrophobicContact CG2-CG2 4.33Å; I157-V161 WeakPolarHBondContact O-CG2 3.28Å; I157-V161 PolarHBondContact O-N 2.9Å; I157-V173 HydrophobicContact CG2-CB 4.46Å; I157-V173 HydrophobicContact CG2-CG1 3.97Å; I157-V173 HydrophobicContact CG2-CG2 3.6Å
158	L	96.9	Very high	95.9	Very high	15 Å²	15	31.2 Å²	31.2	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-40	179	-64.4	173	0	0	0	112.2	K102 P103 V105 Y107 S152 E154 S155 V161 Q162	K102-L158 HydrophobicContact CB-CD1 4.1Å; K102-L158 HydrophobicContact CG-CD1 4.5Å; P103-L158 HydrophobicContact CB-CB 4.35Å; P103-L158 HydrophobicContact CG-CB 4.28Å; V105-L158 HydrophobicContact CB-CD2 3.96Å; V105-L158 HydrophobicContact CG2-CD2 3.73Å; Y107-L158 HydrophobicContact CE2-CD2 4.23Å; S152-L158 WeakPolarHBondContact O-CD2 3.16Å; E154-L158 WeakPolarHBondContact O-CG 3.18Å; E154-L158 PolarHBondContact O-N 3.02Å; S155-L158 PolarHBondContact O-N 3.01Å; L158-V161 PolarHBondContact O-N 3.4Å; L158-Q162 PolarHBondContact O-N 3.35Å
159	H	96.4	Very high	96.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-42.4	174.1	-70.2	98.4	0	0	0	112	A101 S155 I157 V161 Q162 Q163 Q386 D391	A101-H159 PolarHBondContact O-CE1 3.41Å; A101-H159 PolarHBondContact O-NE2 3.01Å; S155-H159 PolarHBondContact O-N 2.85Å; S155-H159 PolarHBondContact O-ND1 2.87Å; S155-H159 PolarHBondContact OG-CE1 3.46Å; S155-H159 VanDerWaalsContact OG-CE1 3.31Å; S155-H159 PolarHBondContact OG-ND1 3.16Å; I157-H159 VanDerWaalsContact C-N 3.31Å; I157-H159 PolarHBondContact O-N 3.06Å; H159-V161 VanDerWaalsContact C-N 3.34Å; H159-V161 PolarHBondContact O-N 3.03Å; H159-Q162 PolarHBondContact O-N 3.34Å; H159-Q162 VanDerWaalsContact O-N 3.14Å; H159-Q163 WeakPolarHBondContact O-CG 3.46Å; H159-Q163 PolarHBondContact O-N 3.18Å; H159-Q386 PolarHBondContact CD2-O 3.44Å; H159-D391 VanDerWaalsContact CB-OD1 3.31Å; H159-D391 WeakPolarHBondContact CB-OD1 3.35Å
160	M	97.8	Very high	96.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-43.4	174	-73.8	178.2	-173.1	0	0	111.9	L144 Y156 I157 Q162 Q163 S164 A217 V219 F245 M390 F394	L144-M160 HydrophobicContact CD1-CB 3.91Å; L144-M160 HydrophobicContact CD2-CB 4.06Å; L144-M160 HydrophobicContact CD2-SD 3.98Å; Y156-M160 WeakPolarHBondContact O-CG 3.33Å; Y156-M160 PolarHBondContact O-N 3.45Å; I157-M160 PolarHBondContact O-N 2.83Å; I157-M160 VanDerWaalsContact O-N 3.14Å; M160-Q162 VanDerWaalsContact C-N 3.31Å; M160-Q162 PolarHBondContact O-N 3.17Å; M160-Q163 PolarHBondContact O-N 2.97Å; M160-S164 WeakPolarHBondContact O-CB 3.44Å; M160-S164 PolarHBondContact O-N 3.26Å; M160-S164 PolarHBondContact O-OG 2.88Å; M160-A217 HydrophobicContact SD-CB 4.27Å; M160-V219 HydrophobicContact CE-CG2 3.77Å; M160-V219 HydrophobicContact SD-CG2 4.47Å; M160-F245 HydrophobicContact CE-CD2 3.48Å; M160-F245 VanDerWaalsContact CE-CD2 3.48Å; M160-F245 HydrophobicContact CE-CE2 3.31Å; M160-F245 HydrophobicContact CE-CG 4.37Å; M160-F245 HydrophobicContact CE-CZ 4.11Å; M160-M390 HydrophobicContact CE-CE 3.23Å; M160-M390 HydrophobicContact CE-CG 4.47Å; M160-F394 HydrophobicContact CB-CD1 4.16Å; M160-F394 HydrophobicContact CB-CE1 3.84Å; M160-F394 HydrophobicContact CB-CE2 4.31Å; M160-F394 HydrophobicContact CB-CZ 3.9Å; M160-F394 HydrophobicContact CE-CD2 4.49Å; M160-F394 HydrophobicContact CG-CD1 3.94Å; M160-F394 HydrophobicContact CG-CD2 4.02Å; M160-F394 HydrophobicContact CG-CE1 4.1Å; M160-F394 HydrophobicContact CG-CE2 4.16Å; M160-F394 HydrophobicContact CG-CG 3.9Å; M160-F394 HydrophobicContact CG-CZ 4.19Å; M160-F394 VanDerWaalsContact O-CE1 3.24Å; M160-F394 WeakPolarHBondContact O-CE1 3.2Å; M160-F394 HydrophobicContact SD-CD2 4.17Å; M160-F394 HydrophobicContact SD-CE2 4.27Å
161	V	98.2	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-41	174.5	175.3	0	0	0	0	111.1	V105 Y107 F125 L144 I157 L158 H159 S164 R165 C171 V173	V105-V161 HydrophobicContact CG1-CG1 3.86Å; V105-V161 HydrophobicContact CG2-CB 4.42Å; V105-V161 HydrophobicContact CG2-CG1 4.08Å; Y107-V161 HydrophobicContact CE1-CG2 4.26Å; F125-V161 HydrophobicContact CB-CG1 3.89Å; F125-V161 HydrophobicContact CD1-CG1 3.72Å; F125-V161 HydrophobicContact CD2-CG1 4.32Å; F125-V161 HydrophobicContact CE1-CG1 4.43Å; F125-V161 HydrophobicContact CG-CG1 3.68Å; L144-V161 HydrophobicContact CD1-CG2 3.5Å; L144-V161 VanDerWaalsContact CD1-CG2 3.5Å; I157-V161 HydrophobicContact CG2-CG2 4.33Å; I157-V161 WeakPolarHBondContact O-CG2 3.28Å; I157-V161 PolarHBondContact O-N 2.9Å; L158-V161 PolarHBondContact O-N 3.4Å; H159-V161 VanDerWaalsContact C-N 3.34Å; H159-V161 PolarHBondContact O-N 3.03Å; V161-S164 PolarHBondContact O-N 2.74Å; V161-R165 WeakPolarHBondContact O-CB 3.46Å; V161-R165 PolarHBondContact O-N 2.97Å; V161-C171 HydrophobicContact CG1-CB 4.41Å; V161-C171 HydrophobicContact CG2-CB 3.98Å; V161-V173 HydrophobicContact CG2-CG2 4.4Å
162	Q	96.9	Very high	96.9	Very high	65 Å²	65	26.4 Å²	26.4	30%	0.304	12%	0.116	S	C	.	.	H	α-helix	trans	-65.1	-43	175.2	-174.9	161.4	22.9	0	0	112.4	P103 L158 H159 M160 S164 R165 D166	P103-Q162 HydrophobicContact CB-CB 4.31Å; P103-Q162 HydrophobicContact CG-CB 4.39Å; L158-Q162 PolarHBondContact O-N 3.35Å; H159-Q162 PolarHBondContact O-N 3.34Å; H159-Q162 VanDerWaalsContact O-N 3.14Å; M160-Q162 VanDerWaalsContact C-N 3.31Å; M160-Q162 PolarHBondContact O-N 3.17Å; Q162-S164 VanDerWaalsContact C-N 3.31Å; Q162-S164 PolarHBondContact O-N 3.3Å; Q162-R165 WeakPolarHBondContact O-CB 3.41Å; Q162-R165 PolarHBondContact O-N 3.28Å; Q162-D166 PolarHBondContact O-N 2.85Å
163	Q	97.4	Very high	97	Very high	15 Å²	15	26.3 Å²	26.3	7%	0.07	12%	0.115	C	C	.	.	H	α-helix	trans	-62.7	-38.9	176.1	-65	-44.5	-46.4	0	0	111.9	H159 M160 D166 L167 D391 F394 K395	H159-Q163 WeakPolarHBondContact O-CG 3.46Å; H159-Q163 PolarHBondContact O-N 3.18Å; M160-Q163 PolarHBondContact O-N 2.97Å; Q163-D166 PolarHBondContact O-N 3.27Å; Q163-L167 WeakPolarHBondContact O-CG 3.36Å; Q163-L167 PolarHBondContact O-N 3.19Å; Q163-D391 HydrophobicContact CG-CB 4.16Å; Q163-F394 HydrophobicContact CB-CD1 3.75Å; Q163-F394 HydrophobicContact CB-CE1 3.84Å; Q163-F394 HydrophobicContact CG-CD1 4.26Å; Q163-K395 HydrophobicContact CB-CB 4.14Å; Q163-K395 HydrophobicContact CB-CG 4.25Å; Q163-K395 HydrophobicContact CG-CB 4.31Å
164	S	97.8	Very high	97.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.7	-36.6	174.6	-70.5	0	0	0	0	112.8	M160 V161 Q162 D166 L167 G168 Y169 C171 F394	M160-S164 WeakPolarHBondContact O-CB 3.44Å; M160-S164 PolarHBondContact O-N 3.26Å; M160-S164 PolarHBondContact O-OG 2.88Å; V161-S164 PolarHBondContact O-N 2.74Å; Q162-S164 VanDerWaalsContact C-N 3.31Å; Q162-S164 PolarHBondContact O-N 3.3Å; S164-D166 VanDerWaalsContact C-N 3.33Å; S164-D166 PolarHBondContact O-N 3.49Å; S164-L167 CarbonylContact O-C 3.55Å; S164-L167 PolarHBondContact O-N 2.88Å; S164-L167 VanDerWaalsContact O-N 3.16Å; S164-G168 PolarHBondContact O-N 3.05Å; S164-G168 VanDerWaalsContact O-N 3.15Å; S164-Y169 PolarHBondContact O-N 2.73Å; S164-C171 WeakPolarHBondContact CB-SG 3.24Å; S164-F394 WeakPolarHBondContact OG-CE1 3.33Å; S164-F394 WeakPolarHBondContact OG-CZ 3.47Å
165	R	97.1	Very high	97.3	Very high	79 Å²	79	13.9 Å²	13.9	30%	0.298	7%	0.065	S	C	.	.	H	α-helix	trans	-57.1	-47.9	172	179.6	-172.6	-61.8	172.4	-1	110.8	G104 F125 N127 V161 Q162 L167 G168	G104-R165 PolarHBondContact O-NH2 2.89Å; F125-R165 HydrophobicContact CE1-CB 3.7Å; F125-R165 HydrophobicContact CE1-CG 3.87Å; F125-R165 VanDerWaalsContact CE2-NH2 3.26Å; F125-R165 HydrophobicContact CZ-CB 4.07Å; F125-R165 HydrophobicContact CZ-CG 3.77Å; N127-R165 PolarHBondContact ND2-O 2.75Å; V161-R165 WeakPolarHBondContact O-CB 3.46Å; V161-R165 PolarHBondContact O-N 2.97Å; Q162-R165 WeakPolarHBondContact O-CB 3.41Å; Q162-R165 PolarHBondContact O-N 3.28Å; R165-L167 PolarHBondContact O-N 3.4Å; R165-G168 WeakPolarHBondContact O-CA 3.46Å; R165-G168 PolarHBondContact O-N 2.73Å
166	D	96.1	Very high	97.4	Very high	77 Å²	77	13.8 Å²	13.8	41%	0.412	6%	0.064	S	C	.	.	H	α-helix	trans	-61.3	-28.6	178.7	-66.1	-8.3	0	0	0	112.9	Q162 Q163 S164 G168 K395	Q162-D166 PolarHBondContact O-N 2.85Å; Q163-D166 PolarHBondContact O-N 3.27Å; S164-D166 VanDerWaalsContact C-N 3.33Å; S164-D166 PolarHBondContact O-N 3.49Å; D166-G168 VanDerWaalsContact C-N 3.31Å; D166-K395 IonicContact OD2-NZ 3.76Å; D166-K395 PolarHBondContact OD2-NZ 3Å
167	L	97.6	Very high	97.5	Very high	20 Å²	20	13.4 Å²	13.4	11%	0.105	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.1	174.7	-65	173.2	0	0	0	112.8	Y133 Q163 S164 R165 Y169 K395 A398 K399	Y133-L167 WeakPolarHBondContact CE2-O 3.48Å; Q163-L167 WeakPolarHBondContact O-CG 3.36Å; Q163-L167 PolarHBondContact O-N 3.19Å; S164-L167 CarbonylContact O-C 3.55Å; S164-L167 PolarHBondContact O-N 2.88Å; S164-L167 VanDerWaalsContact O-N 3.16Å; R165-L167 PolarHBondContact O-N 3.4Å; L167-Y169 HydrophobicContact CB-CD1 4.01Å; L167-Y169 HydrophobicContact CB-CD2 3.85Å; L167-Y169 HydrophobicContact CB-CE1 3.84Å; L167-Y169 HydrophobicContact CB-CE2 3.69Å; L167-Y169 HydrophobicContact CB-CG 4Å; L167-Y169 HydrophobicContact CD1-CD2 4.05Å; L167-Y169 HydrophobicContact CD1-CE2 3.5Å; L167-Y169 VanDerWaalsContact CD1-CE2 3.5Å; L167-Y169 HydrophobicContact CG-CE2 4.21Å; L167-Y169 WeakPolarHBondContact O-CD1 3.3Å; L167-Y169 VanDerWaalsContact O-CE1 3.3Å; L167-Y169 WeakPolarHBondContact O-CE1 3.3Å; L167-K395 HydrophobicContact CD1-CG 3.9Å; L167-K395 HydrophobicContact CD2-CG 4.28Å; L167-K395 HydrophobicContact CG-CG 4.15Å; L167-A398 HydrophobicContact CD1-CB 4.37Å; L167-K399 HydrophobicContact CD1-CB 4.16Å; L167-K399 HydrophobicContact CD2-CB 4.09Å; L167-K399 HydrophobicContact CD2-CD 4.09Å; L167-K399 HydrophobicContact CD2-CG 4.15Å
168	G	98.1	Very high	97.1	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	16	-178	0	0	0	0	0	114.8	N127 S130 Y133 S164 R165 D166	N127-G168 VanDerWaalsContact ND2-CA 3.35Å; N127-G168 WeakPolarHBondContact ND2-CA 3.44Å; S130-G168 WeakPolarHBondContact OG-CA 3.39Å; S130-G168 PolarHBondContact OG-O 3.17Å; Y133-G168 WeakPolarHBondContact CD2-O 3.49Å; S164-G168 PolarHBondContact O-N 3.05Å; S164-G168 VanDerWaalsContact O-N 3.15Å; R165-G168 WeakPolarHBondContact O-CA 3.46Å; R165-G168 PolarHBondContact O-N 2.73Å; D166-G168 VanDerWaalsContact C-N 3.31Å
169	Y	98.4	Very high	96.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.			trans	-89	156.6	-175.4	-57	-14.1	0	0	0	112.3	N127 Y133 P140 V142 S164 L167 A398 K399 I402	N127-Y169 WeakPolarHBondContact CB-O 3.49Å; N127-Y169 PolarHBondContact ND2-N 2.88Å; N127-Y169 PolarHBondContact ND2-O 3.2Å; Y133-Y169 HydrophobicContact CD2-CD1 4.13Å; Y133-Y169 HydrophobicContact CD2-CE1 4.28Å; Y133-Y169 AromaticContact CE2-CD1 3.83Å; Y133-Y169 HydrophobicContact CE2-CD1 3.83Å; Y133-Y169 AromaticContact CE2-CE1 3.51Å; Y133-Y169 HydrophobicContact CE2-CE1 3.51Å; P140-Y169 HydrophobicContact CB-CD1 3.61Å; P140-Y169 HydrophobicContact CB-CE1 3.93Å; P140-Y169 HydrophobicContact CB-CG 3.98Å; P140-Y169 HydrophobicContact CG-CD1 3.79Å; P140-Y169 HydrophobicContact CG-CE1 3.85Å; P140-Y169 WeakPolarHBondContact O-CA 3.49Å; V142-Y169 HydrophobicContact CG2-CD2 3.9Å; S164-Y169 PolarHBondContact O-N 2.73Å; L167-Y169 HydrophobicContact CB-CD1 4.01Å; L167-Y169 HydrophobicContact CB-CD2 3.85Å; L167-Y169 HydrophobicContact CB-CE1 3.84Å; L167-Y169 HydrophobicContact CB-CE2 3.69Å; L167-Y169 HydrophobicContact CB-CG 4Å; L167-Y169 HydrophobicContact CD1-CD2 4.05Å; L167-Y169 HydrophobicContact CD1-CE2 3.5Å; L167-Y169 VanDerWaalsContact CD1-CE2 3.5Å; L167-Y169 HydrophobicContact CG-CE2 4.21Å; L167-Y169 WeakPolarHBondContact O-CD1 3.3Å; L167-Y169 VanDerWaalsContact O-CE1 3.3Å; L167-Y169 WeakPolarHBondContact O-CE1 3.3Å; Y169-A398 HydrophobicContact CE2-CB 4.4Å; Y169-K399 WeakPolarHBondContact OH-CA 3.5Å; Y169-I402 HydrophobicContact CE1-CG2 4.19Å; Y169-I402 HydrophobicContact CE2-CB 4.46Å; Y169-I402 HydrophobicContact CE2-CG1 4.14Å
170	R	98.3	Very high	96.2	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	143.1	164.5	175.8	-179.7	-63.1	124.3	-0.6	109.5	W124 F125 D126 P136 R139 P140 T141 V142 Y209	W124-R170 HydrophobicContact CE3-CG 4.44Å; F125-R170 WeakPolarHBondContact O-CA 3.19Å; D126-R170 IonicContact OD1-NE 3.84Å; P136-R170 PolarHBondContact O-NH1 2.75Å; P136-R170 PolarHBondContact O-NH2 3.08Å; R139-R170 HydrophobicContact CG-CB 4.28Å; P140-R170 PolarHBondContact O-N 2.84Å; T141-R170 CarbonylContact C-O 3.44Å; T141-R170 WeakPolarHBondContact CA-O 3.25Å; T141-R170 HydrophobicContact CG2-CG 4.28Å; V142-R170 PolarHBondContact N-O 3.31Å; R170-Y209 VanDerWaalsContact CZ-CE2 3.5Å; R170-Y209 VanDerWaalsContact NH1-CD2 3.26Å; R170-Y209 VanDerWaalsContact NH1-CE1 3.31Å; R170-Y209 VanDerWaalsContact NH2-CZ 3.33Å; R170-Y209 PolarHBondContact NH2-OH 2.64Å
171	C	98.6	Very high	95.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.3	169	-61.3	0	0	0	0	111.7	F125 V142 L144 V161 S164	F125-C171 HydrophobicContact CB-CB 4.21Å; F125-C171 PolarHBondContact N-O 3.33Å; F125-C171 PolarHBondContact O-N 2.96Å; V142-C171 WeakPolarHBondContact O-CA 3.24Å; L144-C171 HydrophobicContact CD1-CB 4.31Å; V161-C171 HydrophobicContact CG1-CB 4.41Å; V161-C171 HydrophobicContact CG2-CB 3.98Å; S164-C171 WeakPolarHBondContact CB-SG 3.24Å
172	V	98.7	Very high	95.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.9	169.3	-168.1	0	0	0	0	107.3	V122 D123 W124 T141 V142 L143 L144 I205	V122-V172 HydrophobicContact CB-CG1 3.98Å; V122-V172 HydrophobicContact CG1-CG1 4.45Å; D123-V172 WeakPolarHBondContact O-CA 3.24Å; W124-V172 HydrophobicContact CD2-CG1 4.18Å; W124-V172 HydrophobicContact CD2-CG2 4.01Å; W124-V172 HydrophobicContact CE3-CB 4.44Å; W124-V172 HydrophobicContact CE3-CG1 4.39Å; W124-V172 HydrophobicContact CE3-CG2 3.38Å; W124-V172 HydrophobicContact CH2-CG1 4.49Å; W124-V172 HydrophobicContact CH2-CG2 3.87Å; W124-V172 HydrophobicContact CZ2-CG1 4.3Å; W124-V172 HydrophobicContact CZ2-CG2 4.44Å; W124-V172 HydrophobicContact CZ3-CG2 3.28Å; T141-V172 HydrophobicContact CG2-CG2 3.82Å; V142-V172 PolarHBondContact O-N 3.4Å; L143-V172 CarbonylContact C-O 3.28Å; L143-V172 WeakPolarHBondContact CA-O 3.45Å; L143-V172 HydrophobicContact CD1-CB 4.14Å; L143-V172 HydrophobicContact CD1-CG1 4.33Å; L143-V172 WeakPolarHBondContact CD1-O 3.4Å; L144-V172 PolarHBondContact N-O 2.98Å; V172-I205 HydrophobicContact CB-CD1 3.96Å; V172-I205 HydrophobicContact CG1-CD1 3.92Å; V172-I205 HydrophobicContact CG1-CG1 4.45Å; V172-I205 HydrophobicContact CG2-CD1 3.97Å; V172-I205 HydrophobicContact CG2-CG1 4.32Å
173	V	98.8	Very high	94.8	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.8	172.9	-169.4	0	0	0	0	108.9	Y107 V122 D123 L144 P146 I157 V161 N175	Y107-V173 HydrophobicContact CE1-CG2 4.11Å; V122-V173 VanDerWaalsContact CA-O 3.3Å; V122-V173 WeakPolarHBondContact CA-O 3.24Å; D123-V173 HydrophobicContact CB-CB 4.26Å; D123-V173 PolarHBondContact N-O 3.21Å; D123-V173 PolarHBondContact O-N 3.44Å; L144-V173 HydrophobicContact CB-CG2 4.34Å; L144-V173 HydrophobicContact CD1-CG2 4.38Å; L144-V173 WeakPolarHBondContact O-CA 3.49Å; P146-V173 HydrophobicContact CG-CG1 3.8Å; I157-V173 HydrophobicContact CG2-CB 4.46Å; I157-V173 HydrophobicContact CG2-CG1 3.97Å; I157-V173 HydrophobicContact CG2-CG2 3.6Å; V161-V173 HydrophobicContact CG2-CG2 4.4Å; V173-N175 PolarHBondContact O-N 3.27Å
174	F	98.3	Very high	94.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111.3	172.8	169.7	-105.4	0	0	0	109.8	I120 L143 L144 L145 P146 N176 D197 V201 M225	I120-F174 HydrophobicContact CG2-CD2 3.97Å; I120-F174 HydrophobicContact CG2-CE2 3.57Å; L143-F174 HydrophobicContact CD1-CB 4.03Å; L144-F174 PolarHBondContact O-N 3.21Å; L145-F174 HydrophobicContact CD2-CD1 4.07Å; L145-F174 HydrophobicContact CG-CB 4.24Å; L145-F174 HydrophobicContact CG-CD1 3.95Å; L145-F174 HydrophobicContact CG-CG 4.48Å; P146-F174 WeakPolarHBondContact CD-O 3.39Å; F174-N176 VanDerWaalsContact CE1-OD1 3.26Å; F174-N176 WeakPolarHBondContact CE1-OD1 3.4Å; F174-D197 HydrophobicContact CE2-CB 4.05Å; F174-D197 HydrophobicContact CZ-CB 3.92Å; F174-V201 HydrophobicContact CD2-CB 4.23Å; F174-V201 HydrophobicContact CD2-CG1 4.29Å; F174-V201 HydrophobicContact CD2-CG2 3.68Å; F174-V201 HydrophobicContact CE2-CG2 3.86Å; F174-M225 HydrophobicContact CE1-CE 3.76Å; F174-M225 HydrophobicContact CE1-SD 4.44Å; F174-M225 HydrophobicContact CZ-CE 4.26Å
175	N	97.4	Very high	94.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.5	173.5	-61.3	-66.3	0	0	0	110.1	S121 D123 T151 S152 V173	S121-N175 WeakPolarHBondContact O-CB 3.44Å; S121-N175 PolarHBondContact O-N 2.77Å; D123-N175 PolarHBondContact OD2-ND2 2.8Å; T151-N175 WeakPolarHBondContact CA-OD1 3.35Å; S152-N175 PolarHBondContact N-OD1 2.87Å; V173-N175 PolarHBondContact O-N 3.27Å
176	N	95.8	Very high	94.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-60.3	144.7	175.2	-76.7	-58.1	0	0	0	111.7	F174 G178 V179 Y190 M221	F174-N176 VanDerWaalsContact CE1-OD1 3.26Å; F174-N176 WeakPolarHBondContact CE1-OD1 3.4Å; N176-G178 PolarHBondContact O-N 2.9Å; N176-V179 HydrophobicContact CB-CG2 4.07Å; N176-V179 WeakPolarHBondContact O-CB 3.46Å; N176-V179 WeakPolarHBondContact O-CG2 3.43Å; N176-V179 PolarHBondContact O-N 3.4Å; N176-Y190 HydrophobicContact CB-CD1 3.52Å; N176-Y190 HydrophobicContact CB-CD2 3.79Å; N176-Y190 HydrophobicContact CB-CE1 3.78Å; N176-Y190 HydrophobicContact CB-CE2 4.05Å; N176-Y190 HydrophobicContact CB-CG 3.5Å; N176-M221 VanDerWaalsContact ND2-CE 3.31Å; N176-M221 WeakPolarHBondContact ND2-CE 3.5Å
177	R	94.8	Very high	94.6	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.019	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	132.4	-176.7	-61.2	-171.6	-172.9	-157	6.1	112.6	D116 I120 V179 L184 T186 Y190 D197	D116-R177 VanDerWaalsContact CG-NH1 3.29Å; D116-R177 IonicContact OD1-CZ 3.43Å; D116-R177 IonicContact OD1-NH1 2.87Å; D116-R177 PolarHBondContact OD1-NH1 2.81Å; D116-R177 IonicContact OD1-NH2 3.2Å; D116-R177 PolarHBondContact OD1-NH2 2.89Å; D116-R177 IonicContact OD2-CZ 3.74Å; D116-R177 IonicContact OD2-NH1 3.72Å; D116-R177 PolarHBondContact OD2-NH1 3.44Å; D116-R177 IonicContact OD2-NH2 2.69Å; I120-R177 HydrophobicContact CG1-CG 4.49Å; R177-V179 VanDerWaalsContact C-N 3.32Å; R177-L184 HydrophobicContact CB-CD2 3.8Å; R177-T186 PolarHBondContact NH1-OG1 2.76Å; R177-Y190 WeakPolarHBondContact O-CD1 3.32Å; R177-D197 WeakPolarHBondContact CD-OD2 3.49Å; R177-D197 WeakPolarHBondContact CG-OD2 3.42Å; R177-D197 IonicContact CZ-OD1 3.18Å; R177-D197 IonicContact CZ-OD2 2.88Å; R177-D197 IonicContact NE-OD1 3.92Å; R177-D197 PolarHBondContact NE-OD1 2.92Å; R177-D197 IonicContact NE-OD2 3.12Å; R177-D197 PolarHBondContact NE-OD2 3.31Å; R177-D197 IonicContact NH2-OD1 2.7Å; R177-D197 PolarHBondContact NH2-OD1 2.79Å; R177-D197 IonicContact NH2-OD2 2.77Å
178	G	90.4	Very high	94.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	5.1	176	0	0	0	0	0	114.4	N176 E182 H282	N176-G178 PolarHBondContact O-N 2.9Å; G178-E182 WeakPolarHBondContact CA-OE1 3.35Å; G178-E182 PolarHBondContact N-OE1 2.82Å; G178-H282 WeakPolarHBondContact CA-NE2 3.29Å; G178-H282 PolarHBondContact O-NE2 2.94Å
179	V	89.4	Confident	94.4	Very high	17 Å²	17	21.8 Å²	21.8	10%	0.103	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-39.2	-174.3	-170.6	0	0	0	0	112.2	T149 T151 N176 R177 G181 E182 Y190 R281	T149-V179 WeakPolarHBondContact O-CG1 3.17Å; T151-V179 HydrophobicContact CG2-CB 4.44Å; T151-V179 HydrophobicContact CG2-CG1 3.65Å; N176-V179 HydrophobicContact CB-CG2 4.07Å; N176-V179 WeakPolarHBondContact O-CB 3.46Å; N176-V179 WeakPolarHBondContact O-CG2 3.43Å; N176-V179 PolarHBondContact O-N 3.4Å; R177-V179 VanDerWaalsContact C-N 3.32Å; V179-G181 VanDerWaalsContact C-N 3.32Å; V179-G181 PolarHBondContact O-N 3.13Å; V179-E182 PolarHBondContact N-OE1 2.56Å; V179-Y190 HydrophobicContact CG2-CD1 4.24Å; V179-Y190 HydrophobicContact CG2-CE1 3.33Å; V179-R281 PolarHBondContact O-NH1 3.29Å
180	S	84.8	Confident	94.3	Very high	34 Å²	34	22.6 Å²	22.6	24%	0.238	14%	0.139	C	C	.	.	S	Bend	trans	-91.3	20	-167.7	-168.8	0	0	0	0	115.1	E182	S180-E182 WeakPolarHBondContact CA-OE2 3.45Å; S180-E182 VanDerWaalsContact CB-OE2 3.29Å; S180-E182 WeakPolarHBondContact CB-OE2 3.41Å; S180-E182 PolarHBondContact N-OE2 3.35Å; S180-E182 VanDerWaalsContact N-OE2 3.09Å
181	G	83.4	Confident	94.2	Very high	60 Å²	60	22.8 Å²	22.8	62%	0.619	14%	0.14	S	C	*	.	S	Bend	trans	96.1	-10.4	175.5	0	0	0	0	0	114.4	V179	V179-G181 VanDerWaalsContact C-N 3.32Å; V179-G181 PolarHBondContact O-N 3.13Å
182	E	89.3	Confident	94.1	Very high	18 Å²	18	23 Å²	23	8%	0.084	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-67.6	147	168.6	76.2	-69.3	171.7	0	0	111.4	L111 G178 V179 S180 H282	L111-E182 HydrophobicContact CD2-CB 4.37Å; G178-E182 WeakPolarHBondContact CA-OE1 3.35Å; G178-E182 PolarHBondContact N-OE1 2.82Å; V179-E182 PolarHBondContact N-OE1 2.56Å; S180-E182 WeakPolarHBondContact CA-OE2 3.45Å; S180-E182 VanDerWaalsContact CB-OE2 3.29Å; S180-E182 WeakPolarHBondContact CB-OE2 3.41Å; S180-E182 PolarHBondContact N-OE2 3.35Å; S180-E182 VanDerWaalsContact N-OE2 3.09Å; E182-H282 PolarHBondContact O-CE1 2.99Å
183	T	90.6	Very high	94	Very high	90 Å²	90	23 Å²	23	55%	0.552	14%	0.142	S	C	*	.	P	Polyproline II helix	trans	-83.7	138.2	171.7	-56.8	0	0	0	0	109.5	Q119 L185	Q119-T183 PolarHBondContact NE2-O 2.9Å; T183-L185 PolarHBondContact O-N 3Å
184	L	96.1	Very high	93.9	Very high	7 Å²	7	24 Å²	24	4%	0.037	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-64.8	135	172.5	-69.1	179.8	0	0	0	110.5	R177 R188 T189 H282 V285 L286	R177-L184 HydrophobicContact CB-CD2 3.8Å; L184-R188 WeakPolarHBondContact CD2-O 3.47Å; L184-T189 HydrophobicContact CD1-CG2 3.79Å; L184-H282 HydrophobicContact CB-CB 4.27Å; L184-H282 HydrophobicContact CD1-CB 3.61Å; L184-H282 HydrophobicContact CG-CB 4.03Å; L184-H282 PolarHBondContact N-ND1 2.7Å; L184-V285 HydrophobicContact CB-CG1 4.35Å; L184-V285 WeakPolarHBondContact O-CG2 3.46Å; L184-L286 HydrophobicContact CD1-CD1 4.23Å; L184-L286 HydrophobicContact CD1-CD2 4.16Å; L184-L286 HydrophobicContact CD1-CG 4.28Å
185	L	96	Very high	93.8	Very high	106 Å²	106	24.1 Å²	24.1	56%	0.555	15%	0.148	S	C	*	.	S	Bend	trans	-98.3	-22.4	174	-57.3	-178.3	0	0	0	112.1	Q119 T183	Q119-L185 HydrophobicContact CB-CD1 4.36Å; Q119-L185 HydrophobicContact CG-CD1 4.06Å; Q119-L185 HydrophobicContact CG-CG 4.2Å; T183-L185 PolarHBondContact O-N 3Å
186	T	96.6	Very high	93.8	Very high	18 Å²	18	29 Å²	29	11%	0.11	17%	0.171	C	C	.	.	S	Bend	trans	-121.7	154.7	176.8	58.8	0	0	0	0	109.3	D116 R177 R188 V285	D116-T186 VanDerWaalsContact O-CG2 3.28Å; D116-T186 WeakPolarHBondContact O-CG2 3.18Å; D116-T186 PolarHBondContact OD2-OG1 3.49Å; R177-T186 PolarHBondContact NH1-OG1 2.76Å; T186-R188 PolarHBondContact O-N 2.82Å; T186-V285 WeakPolarHBondContact O-CG1 3.31Å
187	P	95.7	Very high	93.8	Very high	45 Å²	45	29.3 Å²	29.3	29%	0.292	17%	0.172	S	C	.	.	S	Bend	trans	-76.1	53.6	177.8	34.2	-36.9	0	0	0	110.9	V285 L286 C289 Y290	P187-V285 HydrophobicContact CB-CG1 4.45Å; P187-L286 HydrophobicContact CB-CD2 4.3Å; P187-C289 HydrophobicContact CB-CB 4.16Å; P187-C289 HydrophobicContact CG-CB 4.46Å; P187-Y290 HydrophobicContact CB-CE2 4.14Å; P187-Y290 WeakPolarHBondContact O-CE2 3.41Å; P187-Y290 PolarHBondContact O-OH 2.94Å
188	R	94.9	Very high	94	Very high	44 Å²	44	29 Å²	29	17%	0.166	17%	0.172	C	C	.	.			trans	-139.5	129	-175.4	-176.7	-179.8	175.8	105.7	-16	110.6	D116 L184 T186 N194 E196	D116-R188 WeakPolarHBondContact OD2-CD 3.33Å; L184-R188 WeakPolarHBondContact CD2-O 3.47Å; T186-R188 PolarHBondContact O-N 2.82Å; R188-N194 VanDerWaalsContact NH2-CG 3.3Å; R188-N194 PolarHBondContact NH2-ND2 3.35Å; R188-N194 PolarHBondContact NH2-OD1 2.81Å; R188-E196 IonicContact CZ-OE2 2.74Å; R188-E196 VanDerWaalsContact NH2-CD 3.29Å; R188-E196 IonicContact NH2-OE1 2.97Å; R188-E196 PolarHBondContact NH2-OE1 2.72Å; R188-E196 IonicContact NH2-OE2 3.66Å; R188-E196 PolarHBondContact NH2-OE2 2.95Å
189	T	95.5	Very high	94.4	Very high	10 Å²	10	31 Å²	31	6%	0.061	18%	0.181	C	C	.	.			trans	-107.7	-130.5	172.9	71.5	0	0	0	0	110.2	L184 L286 F308 M312	L184-T189 HydrophobicContact CD1-CG2 3.79Å; T189-L286 HydrophobicContact CG2-CD1 4.4Å; T189-L286 HydrophobicContact CG2-CD2 4.37Å; T189-F308 HydrophobicContact CG2-CE1 4.11Å; T189-F308 HydrophobicContact CG2-CZ 4.17Å; T189-M312 HydrophobicContact CG2-SD 4.15Å; T189-M312 PolarHBondContact N-SD 3.3Å; T189-M312 WeakPolarHBondContact OG1-CE 3.21Å; T189-M312 PolarHBondContact OG1-SD 3.04Å; T189-M312 VanDerWaalsContact OG1-SD 3.39Å
190	Y	96.4	Very high	94.8	Very high	18 Å²	18	32.4 Å²	32.4	7%	0.071	19%	0.19	C	C	.	.			trans	-143.5	161.5	-174	64.5	-82.4	0	0	0	110.5	L148 T149 N176 R177 V179 M221	L148-Y190 HydrophobicContact CD1-CE2 4.15Å; T149-Y190 PolarHBondContact N-OH 3.01Å; N176-Y190 HydrophobicContact CB-CD1 3.52Å; N176-Y190 HydrophobicContact CB-CD2 3.79Å; N176-Y190 HydrophobicContact CB-CE1 3.78Å; N176-Y190 HydrophobicContact CB-CE2 4.05Å; N176-Y190 HydrophobicContact CB-CG 3.5Å; R177-Y190 WeakPolarHBondContact O-CD1 3.32Å; V179-Y190 HydrophobicContact CG2-CD1 4.24Å; V179-Y190 HydrophobicContact CG2-CE1 3.33Å; Y190-M221 HydrophobicContact CD2-CE 3.55Å; Y190-M221 HydrophobicContact CD2-SD 4.07Å; Y190-M221 HydrophobicContact CE2-CE 3.33Å; Y190-M221 HydrophobicContact CE2-SD 3.77Å
191	C	96.8	Very high	95.4	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.027	18%	0.178	C	C	.	.			trans	-152.3	171.1	169.8	71	0	0	0	0	110.3	A193 N194 T309 F313 Y321	C191-A193 VanDerWaalsContact C-N 3.25Å; C191-A193 PolarHBondContact O-N 3Å; C191-N194 PolarHBondContact SG-N 3.32Å; C191-T309 HydrophobicContact CB-CG2 3.54Å; C191-F313 HydrophobicContact CB-CD2 3.84Å; C191-F313 HydrophobicContact CB-CE2 3.39Å; C191-F313 HydrophobicContact CB-CZ 4.09Å; C191-F313 VanDerWaalsContact SG-CD2 3.53Å; C191-F313 WeakPolarHBondContact SG-CE2 3.35Å; C191-Y321 HydrophobicContact CB-CE2 3.8Å
192	A	96.1	Very high	96.2	Very high	4 Å²	4	28 Å²	28	3%	0.033	15%	0.149	C	C	.	.	S	Bend	trans	-68.8	-23.3	-178.9	0	0	0	0	0	113.7	M221 M224 N228 A325	A192-M221 HydrophobicContact CB-CG 3.97Å; A192-M224 HydrophobicContact CB-CB 4.25Å; A192-M224 HydrophobicContact CB-CE 3.69Å; A192-M224 HydrophobicContact CB-SD 4.27Å; A192-N228 PolarHBondContact O-ND2 2.79Å; A192-A325 HydrophobicContact CB-CB 4.19Å
193	A	97.3	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-87.1	-33.7	-176.9	0	0	0	0	0	113.3	C191 R232 Y315 Y321 D324 A325	C191-A193 VanDerWaalsContact C-N 3.25Å; C191-A193 PolarHBondContact O-N 3Å; A193-R232 VanDerWaalsContact O-CZ 3.22Å; A193-R232 PolarHBondContact O-NH1 3.19Å; A193-R232 PolarHBondContact O-NH2 2.96Å; A193-Y315 WeakPolarHBondContact CB-OH 3.42Å; A193-Y321 HydrophobicContact CB-CD2 4.29Å; A193-Y321 HydrophobicContact CB-CE2 4.02Å; A193-D324 HydrophobicContact CB-CB 4.33Å; A193-A325 HydrophobicContact CB-CB 4.1Å
194	N	95.9	Very high	96.9	Very high	21 Å²	21	28.7 Å²	28.7	11%	0.112	15%	0.148	C	C	.	.			trans	-79.6	130.8	-175	-167.9	-79.6	0	0	0	111.4	R188 C191 E196 F313	R188-N194 VanDerWaalsContact NH2-CG 3.3Å; R188-N194 PolarHBondContact NH2-ND2 3.35Å; R188-N194 PolarHBondContact NH2-OD1 2.81Å; C191-N194 PolarHBondContact SG-N 3.32Å; N194-E196 PolarHBondContact ND2-OE1 3.36Å; N194-E196 WeakPolarHBondContact OD1-CB 3.4Å; N194-E196 PolarHBondContact OD1-N 2.96Å; N194-F313 HydrophobicContact CB-CD1 4.12Å; N194-F313 HydrophobicContact CB-CE1 3.54Å; N194-F313 HydrophobicContact CB-CZ 3.99Å
195	T	96.7	Very high	97	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.147	C	C	.	.			trans	-116.5	0	-176.2	55.7	0	0	0	0	113.3	D197 L198 E199 N228 R232	T195-D197 PolarHBondContact O-N 3.17Å; T195-L198 WeakPolarHBondContact O-CB 3.41Å; T195-L198 PolarHBondContact O-N 3.39Å; T195-E199 WeakPolarHBondContact O-CB 3.08Å; T195-E199 VanDerWaalsContact O-CG 3.24Å; T195-E199 WeakPolarHBondContact O-CG 3.27Å; T195-E199 PolarHBondContact O-N 3.02Å; T195-E199 PolarHBondContact OG1-OE1 2.86Å; T195-N228 HydrophobicContact CG2-CB 4.15Å; T195-R232 PolarHBondContact OG1-NH1 3.13Å
196	E	96.7	Very high	97.1	Very high	102 Å²	102	25.6 Å²	25.6	48%	0.477	13%	0.131	S	C	.	.	H	α-helix	trans	-62.3	-43.4	-171.7	-69.3	161.9	-136	0	0	112.6	R188 N194 E199 T200	R188-E196 IonicContact CZ-OE2 2.74Å; R188-E196 VanDerWaalsContact NH2-CD 3.29Å; R188-E196 IonicContact NH2-OE1 2.97Å; R188-E196 PolarHBondContact NH2-OE1 2.72Å; R188-E196 IonicContact NH2-OE2 3.66Å; R188-E196 PolarHBondContact NH2-OE2 2.95Å; N194-E196 PolarHBondContact ND2-OE1 3.36Å; N194-E196 WeakPolarHBondContact OD1-CB 3.4Å; N194-E196 PolarHBondContact OD1-N 2.96Å; E196-E199 PolarHBondContact O-N 2.71Å; E196-T200 WeakPolarHBondContact O-CB 3.47Å; E196-T200 PolarHBondContact O-N 3.42Å; E196-T200 PolarHBondContact O-OG1 3.05Å
197	D	97.4	Very high	97.2	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.048	16%	0.161	C	C	.	.	H	α-helix	trans	-67.5	-40.1	178.2	-73.2	-11.2	0	0	0	111.5	I120 F174 R177 T195 T200 V201	I120-D197 HydrophobicContact CD1-CB 3.69Å; I120-D197 HydrophobicContact CG1-CB 4.21Å; F174-D197 HydrophobicContact CE2-CB 4.05Å; F174-D197 HydrophobicContact CZ-CB 3.92Å; R177-D197 WeakPolarHBondContact CD-OD2 3.49Å; R177-D197 WeakPolarHBondContact CG-OD2 3.42Å; R177-D197 IonicContact CZ-OD1 3.18Å; R177-D197 IonicContact CZ-OD2 2.88Å; R177-D197 IonicContact NE-OD1 3.92Å; R177-D197 PolarHBondContact NE-OD1 2.92Å; R177-D197 IonicContact NE-OD2 3.12Å; R177-D197 PolarHBondContact NE-OD2 3.31Å; R177-D197 IonicContact NH2-OD1 2.7Å; R177-D197 PolarHBondContact NH2-OD1 2.79Å; R177-D197 IonicContact NH2-OD2 2.77Å; T195-D197 PolarHBondContact O-N 3.17Å; D197-T200 WeakPolarHBondContact O-CB 3.37Å; D197-T200 PolarHBondContact O-N 3.35Å; D197-V201 VanDerWaalsContact O-CG2 3.24Å; D197-V201 WeakPolarHBondContact O-CG2 3.28Å; D197-V201 PolarHBondContact O-N 3.21Å
198	L	98.2	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-42.3	176.1	176.3	57.2	0	0	0	111.3	L143 L145 T195 V201 I202 M225 L226 Y229	L143-L198 HydrophobicContact CD2-CD1 3.84Å; L145-L198 HydrophobicContact CD1-CD1 4.14Å; L145-L198 HydrophobicContact CD2-CD1 3.9Å; L145-L198 HydrophobicContact CD2-CD2 3.98Å; L145-L198 HydrophobicContact CG-CD1 4.44Å; T195-L198 WeakPolarHBondContact O-CB 3.41Å; T195-L198 PolarHBondContact O-N 3.39Å; L198-V201 PolarHBondContact O-N 3.35Å; L198-I202 HydrophobicContact CD1-CD1 3.76Å; L198-I202 HydrophobicContact CD1-CG1 4.09Å; L198-I202 HydrophobicContact CG-CD1 3.87Å; L198-I202 WeakPolarHBondContact O-CB 3.35Å; L198-I202 VanDerWaalsContact O-CG1 3.3Å; L198-I202 WeakPolarHBondContact O-CG1 3.08Å; L198-I202 PolarHBondContact O-N 2.77Å; L198-M225 HydrophobicContact CD2-CB 4.3Å; L198-L226 HydrophobicContact CD2-CD2 4.16Å; L198-Y229 HydrophobicContact CD2-CD2 4.34Å; L198-Y229 HydrophobicContact CD2-CG 4.07Å; L198-Y229 HydrophobicContact CG-CD2 4.34Å
199	E	97.9	Very high	97.3	Very high	41 Å²	41	33.7 Å²	33.7	19%	0.192	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-46.5	173.6	-73.1	175	-142.1	0	0	111.2	T195 E196 V201 I202 D203 Y229 K233	T195-E199 WeakPolarHBondContact O-CB 3.08Å; T195-E199 VanDerWaalsContact O-CG 3.24Å; T195-E199 WeakPolarHBondContact O-CG 3.27Å; T195-E199 PolarHBondContact O-N 3.02Å; T195-E199 PolarHBondContact OG1-OE1 2.86Å; E196-E199 PolarHBondContact O-N 2.71Å; E199-V201 VanDerWaalsContact C-N 3.3Å; E199-V201 PolarHBondContact O-N 3.06Å; E199-I202 PolarHBondContact O-N 3.45Å; E199-D203 WeakPolarHBondContact O-CB 3.42Å; E199-D203 VanDerWaalsContact O-CG 3.29Å; E199-D203 PolarHBondContact O-N 3.31Å; E199-Y229 HydrophobicContact CG-CD2 3.63Å; E199-Y229 HydrophobicContact CG-CE2 3.59Å; E199-K233 VanDerWaalsContact CG-CE 3.5Å; E199-K233 WeakPolarHBondContact OE2-CE 3.26Å; E199-K233 IonicContact OE2-NZ 3.56Å; E199-K233 PolarHBondContact OE2-NZ 2.92Å
200	T	98.2	Very high	97.3	Very high	47 Å²	47	40.9 Å²	40.9	29%	0.288	20%	0.199	S	C	.	.	H	α-helix	trans	-58.1	-43.3	177.8	-58.4	0	0	0	0	111.5	I112 I120 E196 D197 H204	I112-T200 HydrophobicContact CG2-CG2 4.03Å; I120-T200 HydrophobicContact CD1-CG2 4.23Å; E196-T200 WeakPolarHBondContact O-CB 3.47Å; E196-T200 PolarHBondContact O-N 3.42Å; E196-T200 PolarHBondContact O-OG1 3.05Å; D197-T200 WeakPolarHBondContact O-CB 3.37Å; D197-T200 PolarHBondContact O-N 3.35Å; T200-H204 WeakPolarHBondContact O-CB 3.23Å; T200-H204 PolarHBondContact O-N 2.85Å
201	V	98.5	Very high	97.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70.8	-44.6	-179.7	170.3	0	0	0	0	111.5	I112 I120 V122 L143 F174 D197 L198 E199 D203 H204 I205	I112-V201 HydrophobicContact CD1-CG2 4Å; I120-V201 HydrophobicContact CD1-CG2 4.38Å; I120-V201 HydrophobicContact CG2-CG2 3.73Å; V122-V201 HydrophobicContact CG1-CG1 3.97Å; V122-V201 HydrophobicContact CG1-CG2 4.03Å; L143-V201 HydrophobicContact CD1-CG1 4.1Å; F174-V201 HydrophobicContact CD2-CB 4.23Å; F174-V201 HydrophobicContact CD2-CG1 4.29Å; F174-V201 HydrophobicContact CD2-CG2 3.68Å; F174-V201 HydrophobicContact CE2-CG2 3.86Å; D197-V201 VanDerWaalsContact O-CG2 3.24Å; D197-V201 WeakPolarHBondContact O-CG2 3.28Å; D197-V201 PolarHBondContact O-N 3.21Å; L198-V201 PolarHBondContact O-N 3.35Å; E199-V201 VanDerWaalsContact C-N 3.3Å; E199-V201 PolarHBondContact O-N 3.06Å; V201-D203 VanDerWaalsContact C-N 3.32Å; V201-D203 PolarHBondContact O-N 2.64Å; V201-H204 WeakPolarHBondContact O-CB 3.49Å; V201-H204 PolarHBondContact O-N 3.31Å; V201-I205 HydrophobicContact CG1-CD1 3.77Å; V201-I205 HydrophobicContact CG1-CG1 4.39Å; V201-I205 VanDerWaalsContact O-CG1 3.24Å; V201-I205 WeakPolarHBondContact O-CG1 3.4Å; V201-I205 PolarHBondContact O-N 3.34Å
202	I	98.6	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-45.4	176.5	-71.3	168.3	0	0	0	110.3	L143 L198 E199 H204 I205 Q206 Y229 C238 L239	L143-I202 HydrophobicContact CD2-CD1 4.12Å; L143-I202 HydrophobicContact CD2-CG1 3.48Å; L143-I202 VanDerWaalsContact CD2-CG1 3.48Å; L198-I202 HydrophobicContact CD1-CD1 3.76Å; L198-I202 HydrophobicContact CD1-CG1 4.09Å; L198-I202 HydrophobicContact CG-CD1 3.87Å; L198-I202 WeakPolarHBondContact O-CB 3.35Å; L198-I202 VanDerWaalsContact O-CG1 3.3Å; L198-I202 WeakPolarHBondContact O-CG1 3.08Å; L198-I202 PolarHBondContact O-N 2.77Å; E199-I202 PolarHBondContact O-N 3.45Å; I202-H204 VanDerWaalsContact C-N 3.33Å; I202-H204 PolarHBondContact O-N 2.93Å; I202-I205 PolarHBondContact O-N 3.38Å; I202-Q206 WeakPolarHBondContact O-CB 3.48Å; I202-Q206 PolarHBondContact O-N 2.92Å; I202-Y229 HydrophobicContact CD1-CD1 4.23Å; I202-Y229 HydrophobicContact CD1-CD2 4.17Å; I202-Y229 HydrophobicContact CD1-CE1 3.73Å; I202-Y229 HydrophobicContact CD1-CE2 3.61Å; I202-Y229 HydrophobicContact CD1-CG 4.46Å; I202-Y229 VanDerWaalsContact CD1-CZ 3.4Å; I202-C238 VanDerWaalsContact CG2-SG 3.56Å; I202-L239 HydrophobicContact CD1-CD1 4.18Å
203	D	97.9	Very high	97.3	Very high	73 Å²	73	45 Å²	45	39%	0.39	23%	0.233	S	C	.	.	H	α-helix	trans	-63.9	-38.7	178.2	-73.7	-7.9	0	0	0	111.7	E199 V201 K207	E199-D203 WeakPolarHBondContact O-CB 3.42Å; E199-D203 VanDerWaalsContact O-CG 3.29Å; E199-D203 PolarHBondContact O-N 3.31Å; V201-D203 VanDerWaalsContact C-N 3.32Å; V201-D203 PolarHBondContact O-N 2.64Å; D203-K207 WeakPolarHBondContact O-CB 3.33Å; D203-K207 WeakPolarHBondContact O-CD 3.36Å; D203-K207 VanDerWaalsContact O-CG 3.22Å; D203-K207 WeakPolarHBondContact O-CG 3.08Å; D203-K207 PolarHBondContact O-N 2.8Å
204	H	98.4	Very high	97.4	Very high	51 Å²	51	45.1 Å²	45.1	24%	0.236	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-48.7	175.6	-179.3	74.8	0	0	0	112.1	E110 I112 T200 V201 I202 Q206 K207 T208	E110-H204 IonicContact OE1-CD2 2.81Å; E110-H204 IonicContact OE1-CE1 3.29Å; E110-H204 PolarHBondContact OE1-CE1 3.46Å; E110-H204 VanDerWaalsContact OE1-CE1 3.24Å; E110-H204 IonicContact OE1-NE2 3.77Å; E110-H204 PolarHBondContact OE1-NE2 2.91Å; E110-H204 IonicContact OE2-NE2 3.97Å; I112-H204 HydrophobicContact CD1-CB 4.08Å; I112-H204 VanDerWaalsContact CD1-CD2 3.42Å; I112-H204 WeakPolarHBondContact CD1-CD2 3.42Å; T200-H204 WeakPolarHBondContact O-CB 3.23Å; T200-H204 PolarHBondContact O-N 2.85Å; V201-H204 WeakPolarHBondContact O-CB 3.49Å; V201-H204 PolarHBondContact O-N 3.31Å; I202-H204 VanDerWaalsContact C-N 3.33Å; I202-H204 PolarHBondContact O-N 2.93Å; H204-Q206 PolarHBondContact O-N 3.24Å; H204-K207 PolarHBondContact O-N 3.2Å; H204-T208 WeakPolarHBondContact O-CB 3.49Å; H204-T208 PolarHBondContact O-N 3.41Å; H204-T208 PolarHBondContact O-OG1 3.4Å
205	I	98.3	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-44.5	178.9	-58.6	162.5	0	0	0	109.9	W124 T141 L143 V172 V201 I202 K207 T208 Y209 M214	W124-I205 HydrophobicContact CH2-CB 4.39Å; W124-I205 HydrophobicContact CH2-CG1 3.79Å; W124-I205 HydrophobicContact CH2-CG2 4.23Å; W124-I205 HydrophobicContact CZ2-CG1 4.3Å; W124-I205 HydrophobicContact CZ3-CG2 4.49Å; T141-I205 HydrophobicContact CG2-CG2 3.84Å; L143-I205 HydrophobicContact CD1-CD1 3.88Å; L143-I205 HydrophobicContact CD2-CD1 4.46Å; V172-I205 HydrophobicContact CB-CD1 3.96Å; V172-I205 HydrophobicContact CG1-CD1 3.92Å; V172-I205 HydrophobicContact CG1-CG1 4.45Å; V172-I205 HydrophobicContact CG2-CD1 3.97Å; V172-I205 HydrophobicContact CG2-CG1 4.32Å; V201-I205 HydrophobicContact CG1-CD1 3.77Å; V201-I205 HydrophobicContact CG1-CG1 4.39Å; V201-I205 VanDerWaalsContact O-CG1 3.24Å; V201-I205 WeakPolarHBondContact O-CG1 3.4Å; V201-I205 PolarHBondContact O-N 3.34Å; I202-I205 PolarHBondContact O-N 3.38Å; I205-K207 VanDerWaalsContact C-N 3.33Å; I205-K207 PolarHBondContact O-N 2.88Å; I205-T208 PolarHBondContact O-N 2.93Å; I205-Y209 PolarHBondContact O-N 3.02Å; I205-M214 HydrophobicContact CB-CE 3.65Å; I205-M214 HydrophobicContact CB-SD 4.32Å; I205-M214 HydrophobicContact CG2-CE 3.26Å; I205-M214 HydrophobicContact CG2-SD 4.09Å
206	Q	97.5	Very high	97.6	Very high	48 Å²	48	44 Å²	44	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-37.7	-179.9	-178.2	60	45.7	0	0	112.2	I202 H204 Y209 E210 M214 C238	I202-Q206 WeakPolarHBondContact O-CB 3.48Å; I202-Q206 PolarHBondContact O-N 2.92Å; H204-Q206 PolarHBondContact O-N 3.24Å; Q206-Y209 CarbonylContact O-C 3.5Å; Q206-E210 PolarHBondContact NE2-O 3.11Å; Q206-E210 VanDerWaalsContact NE2-O 3.15Å; Q206-E210 WeakPolarHBondContact O-CA 3.43Å; Q206-E210 PolarHBondContact O-N 2.91Å; Q206-M214 HydrophobicContact CB-CE 4.2Å; Q206-C238 HydrophobicContact CG-CB 4.1Å; Q206-C238 VanDerWaalsContact OE1-CB 3.28Å; Q206-C238 PolarHBondContact OE1-SG 3.08Å; Q206-C238 VanDerWaalsContact OE1-SG 3.36Å
207	K	97.4	Very high	97.7	Very high	169 Å²	169	39.1 Å²	39.1	74%	0.735	21%	0.206	S	C	*	.	H	α-helix	trans	-70.3	-34.2	175	-74.5	169.3	-175.8	169.1	0	112.5	D203 H204 I205	D203-K207 WeakPolarHBondContact O-CB 3.33Å; D203-K207 WeakPolarHBondContact O-CD 3.36Å; D203-K207 VanDerWaalsContact O-CG 3.22Å; D203-K207 WeakPolarHBondContact O-CG 3.08Å; D203-K207 PolarHBondContact O-N 2.8Å; H204-K207 PolarHBondContact O-N 3.2Å; I205-K207 VanDerWaalsContact C-N 3.33Å; I205-K207 PolarHBondContact O-N 2.88Å
208	T	97.1	Very high	97.7	Very high	67 Å²	67	38.7 Å²	38.7	41%	0.411	20%	0.203	S	C	.	.	H	α-helix	trans	-72.7	-37.8	180	-53.8	0	0	0	0	111.4	H204 I205	H204-T208 WeakPolarHBondContact O-CB 3.49Å; H204-T208 PolarHBondContact O-N 3.41Å; H204-T208 PolarHBondContact O-OG1 3.4Å; I205-T208 PolarHBondContact O-N 2.93Å
209	Y	96.9	Very high	97.8	Very high	41 Å²	41	38.8 Å²	38.8	16%	0.161	20%	0.204	C	C	.	.	S	Bend	trans	-131.9	66.9	-176.6	-58.2	-70.9	0	0	0	111.6	W124 P136 R170 I205 Q206 A211 A212	W124-Y209 HydrophobicContact CH2-CE2 4.04Å; W124-Y209 HydrophobicContact CZ3-CD2 4.26Å; W124-Y209 AromaticContact CZ3-CE2 3.64Å; W124-Y209 HydrophobicContact CZ3-CE2 3.64Å; P136-Y209 WeakPolarHBondContact O-CD1 3.47Å; R170-Y209 VanDerWaalsContact CZ-CE2 3.5Å; R170-Y209 VanDerWaalsContact NH1-CD2 3.26Å; R170-Y209 VanDerWaalsContact NH1-CE1 3.31Å; R170-Y209 VanDerWaalsContact NH2-CZ 3.33Å; R170-Y209 PolarHBondContact NH2-OH 2.64Å; I205-Y209 PolarHBondContact O-N 3.02Å; Q206-Y209 CarbonylContact O-C 3.5Å; Y209-A211 VanDerWaalsContact C-N 3.27Å; Y209-A211 PolarHBondContact O-N 3.11Å; Y209-A212 PolarHBondContact O-N 2.57Å; Y209-A212 VanDerWaalsContact O-N 3.09Å
210	E	95.8	Very high	97.7	Very high	161 Å²	161	37.8 Å²	37.8	75%	0.752	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.2	-171.6	-171.1	175.3	-175.9	0	0	113.9	Q206	Q206-E210 PolarHBondContact NE2-O 3.11Å; Q206-E210 VanDerWaalsContact NE2-O 3.15Å; Q206-E210 WeakPolarHBondContact O-CA 3.43Å; Q206-E210 PolarHBondContact O-N 2.91Å
211	A	95.9	Very high	97.7	Very high	70 Å²	70	36 Å²	36	58%	0.579	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.1	-179.1	0	0	0	0	0	114	T138 Y209	T138-A211 HydrophobicContact CG2-CB 4.1Å; Y209-A211 VanDerWaalsContact C-N 3.27Å; Y209-A211 PolarHBondContact O-N 3.11Å
212	A	97	Very high	97.7	Very high	6 Å²	6	36 Å²	36	5%	0.05	19%	0.19	C	C	.	.	S	Bend	trans	-80.7	129.6	-177.1	0	0	0	0	0	111.5	T137 R139 Y209 M214	T137-A212 PolarHBondContact O-N 2.93Å; R139-A212 WeakPolarHBondContact O-CB 3.26Å; Y209-A212 PolarHBondContact O-N 2.57Å; Y209-A212 VanDerWaalsContact O-N 3.09Å; A212-M214 PolarHBondContact O-N 2.98Å
213	P	96.8	Very high	97.7	Very high	35 Å²	35	36 Å²	36	23%	0.227	19%	0.19	C	C	.	.			trans	-67.3	134.6	170.6	29.1	-33.2	0	0	0	109.8	P140 T141 K240 I402	P140-P213 WeakPolarHBondContact CA-O 3.49Å; P140-P213 HydrophobicContact CB-CG 4.01Å; P140-P213 HydrophobicContact CG-CG 3.97Å; T141-P213 PolarHBondContact N-O 3.13Å; P213-K240 HydrophobicContact CB-CG 4.32Å; P213-I402 HydrophobicContact CB-CD1 3.94Å; P213-I402 HydrophobicContact CG-CD1 4.2Å; P213-I402 HydrophobicContact CG-CG2 4.17Å
214	M	97.9	Very high	97.7	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.3	-177.8	-165.8	-176.4	-49.5	0	0	111.6	T141 I205 Q206 A212 L239 K240	T141-M214 VanDerWaalsContact O-CA 3.3Å; T141-M214 WeakPolarHBondContact O-CA 3.26Å; I205-M214 HydrophobicContact CB-CE 3.65Å; I205-M214 HydrophobicContact CB-SD 4.32Å; I205-M214 HydrophobicContact CG2-CE 3.26Å; I205-M214 HydrophobicContact CG2-SD 4.09Å; Q206-M214 HydrophobicContact CB-CE 4.2Å; A212-M214 PolarHBondContact O-N 2.98Å; M214-L239 HydrophobicContact CB-CD2 4.23Å; M214-L239 HydrophobicContact CG-CD2 3.71Å; M214-L239 CarbonylContact O-C 3.6Å; M214-L239 WeakPolarHBondContact O-CA 3.17Å; M214-L239 HydrophobicContact SD-CD2 3.74Å; M214-K240 PolarHBondContact O-N 3.08Å
215	M	98.2	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	168	166.5	66.4	164.5	-68.7	0	0	110	T141 V142 L143 G241 I243 F397 A398 V401 I402	T141-M215 PolarHBondContact O-N 2.94Å; V142-M215 WeakPolarHBondContact CA-O 3.31Å; V142-M215 HydrophobicContact CB-CG 4.33Å; V142-M215 HydrophobicContact CG1-CG 4.1Å; V142-M215 HydrophobicContact CG1-SD 4.47Å; V142-M215 HydrophobicContact CG2-CG 3.87Å; V142-M215 HydrophobicContact CG2-SD 4.15Å; L143-M215 PolarHBondContact N-O 3.06Å; M215-G241 WeakPolarHBondContact CA-O 3.16Å; M215-G241 VanDerWaalsContact CB-O 3.3Å; M215-G241 WeakPolarHBondContact CB-O 3.43Å; M215-I243 HydrophobicContact CE-CG2 4Å; M215-F397 HydrophobicContact CE-CD1 4.24Å; M215-F397 HydrophobicContact CE-CE1 4.5Å; M215-A398 HydrophobicContact CE-CB 3.97Å; M215-A398 WeakPolarHBondContact SD-CA 3.17Å; M215-A398 HydrophobicContact SD-CB 3.43Å; M215-A398 WeakPolarHBondContact SD-CB 3.34Å; M215-V401 HydrophobicContact CB-CG1 4.36Å; M215-I402 HydrophobicContact CB-CD1 4.44Å; M215-I402 HydrophobicContact CG-CD1 4.27Å; M215-I402 HydrophobicContact SD-CG1 4.41Å
216	A	98.8	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.3	175	0	0	0	0	0	112.6	L143 L226 L239 G241 V242 I243	L143-A216 HydrophobicContact CB-CB 4.11Å; L143-A216 CarbonylContact O-C 3.57Å; L143-A216 WeakPolarHBondContact O-CA 3.24Å; A216-L226 HydrophobicContact CB-CD1 3.95Å; A216-L226 HydrophobicContact CB-CD2 3.58Å; A216-L226 HydrophobicContact CB-CG 4.45Å; A216-L239 HydrophobicContact CB-CD1 3.85Å; A216-L239 HydrophobicContact CB-CD2 4.22Å; A216-G241 PolarHBondContact N-O 3.48Å; A216-V242 HydrophobicContact CB-CG2 4.23Å; A216-V242 VanDerWaalsContact O-CA 3.29Å; A216-V242 WeakPolarHBondContact O-CA 3.48Å; A216-I243 PolarHBondContact O-N 3.33Å
217	A	98.9	Very high	97.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.9	170	0	0	0	0	0	111	L143 L144 L145 M160 L226 I243 F394	L143-A217 PolarHBondContact O-N 2.92Å; L144-A217 CarbonylContact C-O 3.58Å; L144-A217 WeakPolarHBondContact CA-O 3.4Å; L144-A217 HydrophobicContact CD2-CB 3.84Å; L145-A217 PolarHBondContact N-O 2.87Å; M160-A217 HydrophobicContact SD-CB 4.27Å; A217-L226 VanDerWaalsContact C-CD1 3.48Å; A217-I243 CarbonylContact C-O 3.47Å; A217-I243 WeakPolarHBondContact CA-O 3.37Å; A217-I243 HydrophobicContact CB-CG2 3.52Å; A217-F394 HydrophobicContact CB-CD2 3.98Å; A217-F394 HydrophobicContact CB-CE2 3.69Å
218	G	98.6	Very high	97.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.7	-178.4	0	0	0	0	0	112.2	L145 I243 V244 F245	L145-G218 WeakPolarHBondContact O-CA 3.45Å; G218-I243 PolarHBondContact N-O 3.11Å; G218-V244 CarbonylContact O-C 3.55Å; G218-V244 VanDerWaalsContact O-CA 3.31Å; G218-V244 WeakPolarHBondContact O-CA 3.31Å; G218-F245 PolarHBondContact O-N 3.09Å
219	V	98.5	Very high	97.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.1	179.6	-174.4	0	0	0	0	109.8	L145 G147 Y156 M160 M221 G222 F245 I376 M390	L145-V219 PolarHBondContact O-N 3.5Å; G147-V219 WeakPolarHBondContact CA-O 2.98Å; G147-V219 PolarHBondContact N-O 2.85Å; Y156-V219 HydrophobicContact CD2-CB 3.93Å; Y156-V219 HydrophobicContact CD2-CG1 4.12Å; Y156-V219 HydrophobicContact CD2-CG2 3.49Å; Y156-V219 VanDerWaalsContact CD2-CG2 3.49Å; Y156-V219 HydrophobicContact CE2-CB 3.66Å; Y156-V219 HydrophobicContact CE2-CG1 3.99Å; Y156-V219 HydrophobicContact CE2-CG2 3.7Å; Y156-V219 HydrophobicContact CG-CG1 4.41Å; Y156-V219 HydrophobicContact CG-CG2 4.31Å; M160-V219 HydrophobicContact CE-CG2 3.77Å; M160-V219 HydrophobicContact SD-CG2 4.47Å; V219-M221 PolarHBondContact O-N 3.14Å; V219-G222 PolarHBondContact O-N 3.11Å; V219-F245 CarbonylContact C-O 3.45Å; V219-F245 WeakPolarHBondContact CA-O 3.42Å; V219-F245 HydrophobicContact CG1-CB 4.41Å; V219-F245 HydrophobicContact CG2-CB 4.26Å; V219-F245 HydrophobicContact CG2-CD2 4.23Å; V219-I376 HydrophobicContact CG1-CG2 3.62Å; V219-M390 HydrophobicContact CB-CE 4.36Å; V219-M390 HydrophobicContact CG1-CE 4.01Å; V219-M390 HydrophobicContact CG2-CE 3.42Å; V219-M390 VanDerWaalsContact CG2-CE 3.42Å
220	S	97.3	Very high	98	Very high	20 Å²	20	16 Å²	16	14%	0.14	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-121.3	179.1	-175.1	0	0	0	0	111	G222 G223 M224 F245 S246 H375	S220-G222 PolarHBondContact O-N 2.94Å; S220-G223 WeakPolarHBondContact O-CA 3.31Å; S220-G223 PolarHBondContact O-N 3.32Å; S220-M224 PolarHBondContact O-N 3.19Å; S220-M224 VanDerWaalsContact O-N 3.09Å; S220-F245 PolarHBondContact N-O 2.76Å; S220-S246 WeakPolarHBondContact CA-O 3.38Å; S220-H375 VanDerWaalsContact CB-NE2 3.28Å; S220-H375 WeakPolarHBondContact CB-NE2 3.35Å; S220-H375 PolarHBondContact OG-CE1 3.34Å; S220-H375 PolarHBondContact OG-NE2 3.33Å
221	M	97.8	Very high	98	Very high	11 Å²	11	8.9 Å²	8.9	5%	0.054	6%	0.064	C	C	.	.	H	α-helix	trans	-54.5	-35.3	174.5	-170.1	-165.8	75.2	0	0	113.6	L148 N176 Y190 A192 V219 G223 M224 M225	L148-M221 HydrophobicContact CB-CB 4.18Å; L148-M221 HydrophobicContact CB-SD 4.06Å; L148-M221 HydrophobicContact CD1-SD 3.52Å; L148-M221 VanDerWaalsContact CD1-SD 3.52Å; L148-M221 HydrophobicContact CG-SD 4.41Å; N176-M221 VanDerWaalsContact ND2-CE 3.31Å; N176-M221 WeakPolarHBondContact ND2-CE 3.5Å; Y190-M221 HydrophobicContact CD2-CE 3.55Å; Y190-M221 HydrophobicContact CD2-SD 4.07Å; Y190-M221 HydrophobicContact CE2-CE 3.33Å; Y190-M221 HydrophobicContact CE2-SD 3.77Å; A192-M221 HydrophobicContact CB-CG 3.97Å; V219-M221 PolarHBondContact O-N 3.14Å; M221-G223 VanDerWaalsContact C-N 3.26Å; M221-G223 PolarHBondContact O-N 3.21Å; M221-M224 WeakPolarHBondContact O-CB 3.48Å; M221-M224 PolarHBondContact O-N 3.23Å; M221-M224 VanDerWaalsContact O-N 3.08Å; M221-M225 HydrophobicContact CE-SD 4.11Å; M221-M225 WeakPolarHBondContact O-CG 3.36Å; M221-M225 PolarHBondContact O-N 3.33Å
222	G	98.4	Very high	98	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63	-34.2	174	0	0	0	0	0	112.6	P146 V219 S220 L226	P146-G222 WeakPolarHBondContact O-CA 3.44Å; P146-G222 PolarHBondContact O-N 2.78Å; V219-G222 PolarHBondContact O-N 3.11Å; S220-G222 PolarHBondContact O-N 2.94Å; G222-L226 PolarHBondContact O-N 3.05Å; G222-L226 VanDerWaalsContact O-N 3.16Å
223	G	98.4	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.9	-38	171	0	0	0	0	0	112.6	S220 M221 L226 A227	S220-G223 WeakPolarHBondContact O-CA 3.31Å; S220-G223 PolarHBondContact O-N 3.32Å; M221-G223 VanDerWaalsContact C-N 3.26Å; M221-G223 PolarHBondContact O-N 3.21Å; G223-L226 PolarHBondContact O-N 3.05Å; G223-A227 WeakPolarHBondContact O-CB 3.34Å; G223-A227 PolarHBondContact O-N 3.06Å
224	M	98.6	Very high	97.7	Very high	18 Å²	18	11.7 Å²	11.7	9%	0.089	6%	0.059	C	C	.	.	H	α-helix	trans	-62.6	-45.4	174.6	-59.3	169.8	66.7	0	0	111.7	A192 S220 M221 L226 A227 N228 A247 G248 V251 P327	A192-M224 HydrophobicContact CB-CB 4.25Å; A192-M224 HydrophobicContact CB-CE 3.69Å; A192-M224 HydrophobicContact CB-SD 4.27Å; S220-M224 PolarHBondContact O-N 3.19Å; S220-M224 VanDerWaalsContact O-N 3.09Å; M221-M224 WeakPolarHBondContact O-CB 3.48Å; M221-M224 PolarHBondContact O-N 3.23Å; M221-M224 VanDerWaalsContact O-N 3.08Å; M224-L226 PolarHBondContact O-N 2.67Å; M224-A227 PolarHBondContact O-N 3.42Å; M224-N228 WeakPolarHBondContact O-CB 3.28Å; M224-N228 PolarHBondContact O-N 2.84Å; M224-N228 PolarHBondContact O-ND2 3.32Å; M224-A247 HydrophobicContact CG-CB 4.42Å; M224-G248 WeakPolarHBondContact CE-O 3.44Å; M224-G248 WeakPolarHBondContact CG-O 3.29Å; M224-V251 HydrophobicContact CE-CG2 3.45Å; M224-V251 VanDerWaalsContact CE-CG2 3.45Å; M224-P327 HydrophobicContact CB-CG 3.76Å; M224-P327 HydrophobicContact CG-CG 3.96Å
225	M	98.6	Very high	97.3	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.02	9%	0.09	C	C	.	.	H	α-helix	trans	-59.8	-44.3	177	-67.7	177.1	75.8	0	0	111.6	L145 F174 L198 M221 N228 Y229	L145-M225 HydrophobicContact CD2-CB 4.06Å; F174-M225 HydrophobicContact CE1-CE 3.76Å; F174-M225 HydrophobicContact CE1-SD 4.44Å; F174-M225 HydrophobicContact CZ-CE 4.26Å; L198-M225 HydrophobicContact CD2-CB 4.3Å; M221-M225 HydrophobicContact CE-SD 4.11Å; M221-M225 WeakPolarHBondContact O-CG 3.36Å; M221-M225 PolarHBondContact O-N 3.33Å; M225-N228 PolarHBondContact O-N 3.22Å; M225-Y229 VanDerWaalsContact O-CB 3.29Å; M225-Y229 WeakPolarHBondContact O-CB 3.31Å; M225-Y229 PolarHBondContact O-N 3.44Å
226	L	98.6	Very high	97.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-45.4	175.6	-76.3	173.8	0	0	0	112.3	L145 L198 A216 A217 G222 G223 M224 N228 Y229 L230 V242 V244	L145-L226 HydrophobicContact CD1-CD1 4.1Å; L145-L226 HydrophobicContact CD1-CD2 3.92Å; L145-L226 HydrophobicContact CD1-CG 4.03Å; L145-L226 HydrophobicContact CD2-CD2 4.34Å; L145-L226 HydrophobicContact CD2-CG 4.03Å; L198-L226 HydrophobicContact CD2-CD2 4.16Å; A216-L226 HydrophobicContact CB-CD1 3.95Å; A216-L226 HydrophobicContact CB-CD2 3.58Å; A216-L226 HydrophobicContact CB-CG 4.45Å; A217-L226 VanDerWaalsContact C-CD1 3.48Å; G222-L226 PolarHBondContact O-N 3.05Å; G222-L226 VanDerWaalsContact O-N 3.16Å; G223-L226 PolarHBondContact O-N 3.05Å; M224-L226 PolarHBondContact O-N 2.67Å; L226-N228 PolarHBondContact O-N 3.5Å; L226-Y229 PolarHBondContact O-N 3.38Å; L226-L230 WeakPolarHBondContact O-CB 3.33Å; L226-L230 WeakPolarHBondContact O-CG 3.47Å; L226-L230 PolarHBondContact O-N 2.69Å; L226-V242 HydrophobicContact CB-CG1 4.13Å; L226-V242 HydrophobicContact CD1-CG1 3.87Å; L226-V242 HydrophobicContact CG-CG1 4.48Å; L226-V244 HydrophobicContact CB-CG1 4.34Å; L226-V244 HydrophobicContact CD1-CG1 4.43Å
227	A	98.4	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-41.1	178.7	0	0	0	0	0	111.8	G223 M224 L230 G231 W249 P327 L331 M338	G223-A227 WeakPolarHBondContact O-CB 3.34Å; G223-A227 PolarHBondContact O-N 3.06Å; M224-A227 PolarHBondContact O-N 3.42Å; A227-L230 PolarHBondContact O-N 3.12Å; A227-G231 PolarHBondContact O-N 3.28Å; A227-W249 HydrophobicContact CB-CZ3 4.34Å; A227-P327 HydrophobicContact CB-CB 3.67Å; A227-P327 HydrophobicContact CB-CG 4.34Å; A227-L331 HydrophobicContact CB-CD2 4.41Å; A227-M338 HydrophobicContact CB-CE 4.2Å
228	N	98.5	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-42.7	174.1	-78.3	-38.6	0	0	0	111.9	A192 T195 M224 M225 L226 G231 R232 A325 K330	A192-N228 PolarHBondContact O-ND2 2.79Å; T195-N228 HydrophobicContact CG2-CB 4.15Å; M224-N228 WeakPolarHBondContact O-CB 3.28Å; M224-N228 PolarHBondContact O-N 2.84Å; M224-N228 PolarHBondContact O-ND2 3.32Å; M225-N228 PolarHBondContact O-N 3.22Å; L226-N228 PolarHBondContact O-N 3.5Å; N228-G231 PolarHBondContact O-N 3.46Å; N228-R232 WeakPolarHBondContact O-CG 3.32Å; N228-R232 PolarHBondContact O-N 3.25Å; N228-R232 VanDerWaalsContact O-N 3.12Å; N228-A325 PolarHBondContact ND2-O 2.96Å; N228-K330 HydrophobicContact CB-CD 4.41Å; N228-K330 VanDerWaalsContact OD1-CD 3.31Å; N228-K330 WeakPolarHBondContact OD1-CD 3.08Å; N228-K330 PolarHBondContact OD1-NZ 3.09Å
229	Y	98.6	Very high	96.8	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-59.2	-49.9	174.7	164.7	-91.3	0	0	0	111.6	L198 E199 I202 M225 L226 G231 R232 K233 T237 L239	L198-Y229 HydrophobicContact CD2-CD2 4.34Å; L198-Y229 HydrophobicContact CD2-CG 4.07Å; L198-Y229 HydrophobicContact CG-CD2 4.34Å; E199-Y229 HydrophobicContact CG-CD2 3.63Å; E199-Y229 HydrophobicContact CG-CE2 3.59Å; I202-Y229 HydrophobicContact CD1-CD1 4.23Å; I202-Y229 HydrophobicContact CD1-CD2 4.17Å; I202-Y229 HydrophobicContact CD1-CE1 3.73Å; I202-Y229 HydrophobicContact CD1-CE2 3.61Å; I202-Y229 HydrophobicContact CD1-CG 4.46Å; I202-Y229 VanDerWaalsContact CD1-CZ 3.4Å; M225-Y229 VanDerWaalsContact O-CB 3.29Å; M225-Y229 WeakPolarHBondContact O-CB 3.31Å; M225-Y229 PolarHBondContact O-N 3.44Å; L226-Y229 PolarHBondContact O-N 3.38Å; Y229-G231 VanDerWaalsContact C-N 3.32Å; Y229-G231 PolarHBondContact O-N 3.44Å; Y229-R232 PolarHBondContact O-N 3.23Å; Y229-R232 VanDerWaalsContact O-N 3.15Å; Y229-K233 HydrophobicContact CD2-CG 3.96Å; Y229-K233 HydrophobicContact CE1-CB 4.49Å; Y229-K233 HydrophobicContact CE1-CG 4.37Å; Y229-K233 HydrophobicContact CE2-CD 4.44Å; Y229-K233 HydrophobicContact CE2-CG 3.57Å; Y229-K233 WeakPolarHBondContact O-CB 3.3Å; Y229-K233 PolarHBondContact O-N 3.06Å; Y229-T237 WeakPolarHBondContact CE1-OG1 3.4Å; Y229-T237 PolarHBondContact OH-OG1 3.01Å; Y229-L239 HydrophobicContact CD1-CD1 4.5Å; Y229-L239 HydrophobicContact CE1-CD1 3.92Å
230	L	98.2	Very high	96.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-39.1	179.8	-71.2	-176.1	0	0	0	112	L226 A227 R232 G234 T237 L239 V242 V334 V336 M338	L226-L230 WeakPolarHBondContact O-CB 3.33Å; L226-L230 WeakPolarHBondContact O-CG 3.47Å; L226-L230 PolarHBondContact O-N 2.69Å; A227-L230 PolarHBondContact O-N 3.12Å; L230-R232 PolarHBondContact O-N 3.4Å; L230-G234 WeakPolarHBondContact O-CA 3.31Å; L230-G234 PolarHBondContact O-N 3.4Å; L230-T237 HydrophobicContact CD2-CG2 4.08Å; L230-L239 HydrophobicContact CD2-CD1 4.48Å; L230-V242 HydrophobicContact CD1-CB 3.88Å; L230-V242 HydrophobicContact CD1-CG1 4.22Å; L230-V242 HydrophobicContact CD1-CG2 3.74Å; L230-V242 HydrophobicContact CD2-CG2 4.28Å; L230-V242 HydrophobicContact CG-CG2 4.34Å; L230-V334 HydrophobicContact CB-CG1 4.27Å; L230-V334 HydrophobicContact CB-CG2 3.91Å; L230-V334 HydrophobicContact CD1-CG1 4.03Å; L230-V336 HydrophobicContact CD1-CG2 3.92Å; L230-V336 HydrophobicContact CD2-CG2 3.55Å; L230-V336 HydrophobicContact CG-CG2 4.35Å; L230-M338 HydrophobicContact CD1-CB 4.45Å; L230-M338 HydrophobicContact CD1-CG 4.45Å; L230-M338 HydrophobicContact CD1-SD 3.78Å
231	G	96.8	Very high	96.7	Very high	13 Å²	13	35.9 Å²	35.9	13%	0.134	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-26.9	176.3	0	0	0	0	0	113.8	A227 N228 Y229 S333	A227-G231 PolarHBondContact O-N 3.28Å; N228-G231 PolarHBondContact O-N 3.46Å; Y229-G231 VanDerWaalsContact C-N 3.32Å; Y229-G231 PolarHBondContact O-N 3.44Å; G231-S333 WeakPolarHBondContact O-CB 3.3Å
232	R	95.9	Very high	96.7	Very high	101 Å²	101	35.3 Å²	35.3	38%	0.381	16%	0.159	S	C	.	.	H	α-helix	trans	-87.4	-44.8	175.2	-71	178.8	179.9	154.7	4.7	113	A193 T195 N228 Y229 L230 D324	A193-R232 VanDerWaalsContact O-CZ 3.22Å; A193-R232 PolarHBondContact O-NH1 3.19Å; A193-R232 PolarHBondContact O-NH2 2.96Å; T195-R232 PolarHBondContact OG1-NH1 3.13Å; N228-R232 WeakPolarHBondContact O-CG 3.32Å; N228-R232 PolarHBondContact O-N 3.25Å; N228-R232 VanDerWaalsContact O-N 3.12Å; Y229-R232 PolarHBondContact O-N 3.23Å; Y229-R232 VanDerWaalsContact O-N 3.15Å; L230-R232 PolarHBondContact O-N 3.4Å; R232-D324 IonicContact NH2-OD1 3.26Å; R232-D324 PolarHBondContact NH2-OD1 3.31Å; R232-D324 VanDerWaalsContact NH2-OD1 3.11Å; R232-D324 IonicContact NH2-OD2 2.93Å; R232-D324 PolarHBondContact NH2-OD2 2.99Å; R232-D324 VanDerWaalsContact NH2-OD2 3.11Å
233	K	94.9	Very high	96.8	Very high	56 Å²	56	35.3 Å²	35.3	24%	0.243	16%	0.159	C	C	.	.	H	α-helix	trans	-79.1	-32.2	-176.8	-73.5	-68.7	-177.2	-177.6	0	113.5	E199 Y229 R235 K236	E199-K233 VanDerWaalsContact CG-CE 3.5Å; E199-K233 WeakPolarHBondContact OE2-CE 3.26Å; E199-K233 IonicContact OE2-NZ 3.56Å; E199-K233 PolarHBondContact OE2-NZ 2.92Å; Y229-K233 HydrophobicContact CD2-CG 3.96Å; Y229-K233 HydrophobicContact CE1-CB 4.49Å; Y229-K233 HydrophobicContact CE1-CG 4.37Å; Y229-K233 HydrophobicContact CE2-CD 4.44Å; Y229-K233 HydrophobicContact CE2-CG 3.57Å; Y229-K233 WeakPolarHBondContact O-CB 3.3Å; Y229-K233 PolarHBondContact O-N 3.06Å; K233-R235 PolarHBondContact O-N 3.29Å; K233-K236 WeakPolarHBondContact O-CB 3.36Å; K233-K236 PolarHBondContact O-N 2.87Å; K233-K236 VanDerWaalsContact O-N 3.08Å
234	G	91.6	Very high	96.8	Very high	12 Å²	12	35.3 Å²	35.3	12%	0.124	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	52.6	-127.2	-175	0	0	0	0	0	111.4	L230 K236 T237	L230-G234 WeakPolarHBondContact O-CA 3.31Å; L230-G234 PolarHBondContact O-N 3.4Å; G234-K236 PolarHBondContact O-N 2.69Å; G234-T237 WeakPolarHBondContact O-CG2 3.43Å
235	R	89.4	Confident	96.8	Very high	175 Å²	175	34.5 Å²	34.5	66%	0.66	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-71	-8.6	-179	-66.8	-174.4	-178	-167.9	-4.4	115	K233 T237 Q335	K233-R235 PolarHBondContact O-N 3.29Å; R235-T237 VanDerWaalsContact C-N 3.26Å; R235-T237 PolarHBondContact O-N 2.9Å; R235-Q335 HydrophobicContact CB-CB 4.49Å; R235-Q335 HydrophobicContact CG-CB 3.52Å; R235-Q335 HydrophobicContact CG-CG 3.92Å
236	K	94.3	Very high	96.7	Very high	186 Å²	186	34.3 Å²	34.3	81%	0.809	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-78.5	-9.5	-179.4	-62.6	-179.5	178.7	178	0	113.4	K233 G234	K233-K236 WeakPolarHBondContact O-CB 3.36Å; K233-K236 PolarHBondContact O-N 2.87Å; K233-K236 VanDerWaalsContact O-N 3.08Å; G234-K236 PolarHBondContact O-N 2.69Å
237	T	96.1	Very high	96.7	Very high	15 Å²	15	34.3 Å²	34.3	9%	0.092	15%	0.154	C	C	.	.			trans	-68.9	145.1	175.8	-176.5	0	0	0	0	111.6	Y229 L230 G234 R235 L239 V336	Y229-T237 WeakPolarHBondContact CE1-OG1 3.4Å; Y229-T237 PolarHBondContact OH-OG1 3.01Å; L230-T237 HydrophobicContact CD2-CG2 4.08Å; G234-T237 WeakPolarHBondContact O-CG2 3.43Å; R235-T237 VanDerWaalsContact C-N 3.26Å; R235-T237 PolarHBondContact O-N 2.9Å; T237-L239 VanDerWaalsContact C-N 3.33Å; T237-L239 HydrophobicContact CG2-CB 4.48Å; T237-L239 WeakPolarHBondContact OG1-CB 3.31Å; T237-L239 WeakPolarHBondContact OG1-CG 3.48Å; T237-L239 PolarHBondContact OG1-N 2.85Å; T237-L239 VanDerWaalsContact OG1-N 3.14Å; T237-V336 HydrophobicContact CG2-CB 4.47Å; T237-V336 HydrophobicContact CG2-CG1 3.51Å; T237-V336 HydrophobicContact CG2-CG2 4.15Å
238	C	95.9	Very high	96.6	Very high	34 Å²	34	34.6 Å²	34.6	23%	0.23	16%	0.157	C	C	.	.			trans	-82.3	-12.6	170	64	0	0	0	0	113.2	I202 Q206 K240	I202-C238 VanDerWaalsContact CG2-SG 3.56Å; Q206-C238 HydrophobicContact CG-CB 4.1Å; Q206-C238 VanDerWaalsContact OE1-CB 3.28Å; Q206-C238 PolarHBondContact OE1-SG 3.08Å; Q206-C238 VanDerWaalsContact OE1-SG 3.36Å; C238-K240 PolarHBondContact O-N 3.03Å
239	L	97.6	Very high	96.6	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	16%	0.157	C	C	.	.			trans	-65	127.1	-176.7	-58.6	177.9	0	0	0	111.3	I202 M214 A216 Y229 L230 T237 G241 V242	I202-L239 HydrophobicContact CD1-CD1 4.18Å; M214-L239 HydrophobicContact CB-CD2 4.23Å; M214-L239 HydrophobicContact CG-CD2 3.71Å; M214-L239 CarbonylContact O-C 3.6Å; M214-L239 WeakPolarHBondContact O-CA 3.17Å; M214-L239 HydrophobicContact SD-CD2 3.74Å; A216-L239 HydrophobicContact CB-CD1 3.85Å; A216-L239 HydrophobicContact CB-CD2 4.22Å; Y229-L239 HydrophobicContact CD1-CD1 4.5Å; Y229-L239 HydrophobicContact CE1-CD1 3.92Å; L230-L239 HydrophobicContact CD2-CD1 4.48Å; T237-L239 VanDerWaalsContact C-N 3.33Å; T237-L239 HydrophobicContact CG2-CB 4.48Å; T237-L239 WeakPolarHBondContact OG1-CB 3.31Å; T237-L239 WeakPolarHBondContact OG1-CG 3.48Å; T237-L239 PolarHBondContact OG1-N 2.85Å; T237-L239 VanDerWaalsContact OG1-N 3.14Å; L239-G241 VanDerWaalsContact C-N 3.33Å; L239-V242 HydrophobicContact CB-CG2 4.44Å; L239-V242 HydrophobicContact CD1-CG2 3.81Å
240	K	96.8	Very high	96.6	Very high	119 Å²	119	36 Å²	36	52%	0.517	17%	0.165	S	C	.	.	S	Bend	trans	-75	-23.7	177.4	-60.3	-53.6	-175.6	-167	0	113.3	P213 M214 C238 V401	P213-K240 HydrophobicContact CB-CG 4.32Å; M214-K240 PolarHBondContact O-N 3.08Å; C238-K240 PolarHBondContact O-N 3.03Å; K240-V401 HydrophobicContact CB-CG1 3.74Å
241	G	97.4	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.			trans	-176.5	165	175.6	0	0	0	0	0	111	M215 A216 L239 P337	M215-G241 WeakPolarHBondContact CA-O 3.16Å; M215-G241 VanDerWaalsContact CB-O 3.3Å; M215-G241 WeakPolarHBondContact CB-O 3.43Å; A216-G241 PolarHBondContact N-O 3.48Å; L239-G241 VanDerWaalsContact C-N 3.33Å; G241-P337 CarbonylContact C-O 3.59Å; G241-P337 WeakPolarHBondContact CA-O 3.33Å
242	V	98.6	Very high	96.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.5	-178.2	171.1	0	0	0	0	110.5	A216 L226 L230 L239 V244 P337 M338 L339 F397	A216-V242 HydrophobicContact CB-CG2 4.23Å; A216-V242 VanDerWaalsContact O-CA 3.29Å; A216-V242 WeakPolarHBondContact O-CA 3.48Å; L226-V242 HydrophobicContact CB-CG1 4.13Å; L226-V242 HydrophobicContact CD1-CG1 3.87Å; L226-V242 HydrophobicContact CG-CG1 4.48Å; L230-V242 HydrophobicContact CD1-CB 3.88Å; L230-V242 HydrophobicContact CD1-CG1 4.22Å; L230-V242 HydrophobicContact CD1-CG2 3.74Å; L230-V242 HydrophobicContact CD2-CG2 4.28Å; L230-V242 HydrophobicContact CG-CG2 4.34Å; L239-V242 HydrophobicContact CB-CG2 4.44Å; L239-V242 HydrophobicContact CD1-CG2 3.81Å; V242-V244 HydrophobicContact CG1-CG1 3.91Å; V242-P337 PolarHBondContact N-O 2.88Å; V242-M338 HydrophobicContact CB-CG 4.27Å; V242-M338 HydrophobicContact CG1-CG 4.22Å; V242-M338 CarbonylContact O-C 3.57Å; V242-M338 WeakPolarHBondContact O-CA 3.47Å; V242-L339 PolarHBondContact O-N 3.12Å; V242-F397 VanDerWaalsContact O-CE1 3.3Å; V242-F397 WeakPolarHBondContact O-CE1 3.46Å
243	I	98.8	Very high	96.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.6	168.7	-174.9	166.7	0	0	0	110.7	M215 A216 A217 G218 F245 L339 V393 F394 F397	M215-I243 HydrophobicContact CE-CG2 4Å; A216-I243 PolarHBondContact O-N 3.33Å; A217-I243 CarbonylContact C-O 3.47Å; A217-I243 WeakPolarHBondContact CA-O 3.37Å; A217-I243 HydrophobicContact CB-CG2 3.52Å; G218-I243 PolarHBondContact N-O 3.11Å; I243-F245 HydrophobicContact CB-CE2 4.41Å; I243-F245 HydrophobicContact CD1-CE1 3.82Å; I243-F245 HydrophobicContact CD1-CE2 3.94Å; I243-F245 HydrophobicContact CD1-CZ 3.29Å; I243-F245 HydrophobicContact CG1-CD2 4.43Å; I243-F245 HydrophobicContact CG1-CE1 4.14Å; I243-F245 HydrophobicContact CG1-CE2 3.74Å; I243-F245 HydrophobicContact CG1-CZ 3.59Å; I243-F245 HydrophobicContact CG2-CE2 3.94Å; I243-F245 HydrophobicContact CG2-CZ 4.33Å; I243-L339 CarbonylContact C-O 3.55Å; I243-L339 VanDerWaalsContact CA-O 3.27Å; I243-L339 WeakPolarHBondContact CA-O 3.49Å; I243-L339 HydrophobicContact CD1-CD2 4.01Å; I243-L339 HydrophobicContact CD1-CG 4.35Å; I243-L339 HydrophobicContact CG1-CB 4.33Å; I243-L339 HydrophobicContact CG1-CG 4.47Å; I243-V393 HydrophobicContact CD1-CG1 3.74Å; I243-F394 HydrophobicContact CG2-CD2 4.06Å; I243-F397 HydrophobicContact CB-CD1 3.61Å; I243-F397 HydrophobicContact CB-CE1 3.84Å; I243-F397 HydrophobicContact CB-CG 4.49Å; I243-F397 HydrophobicContact CD1-CB 4.04Å; I243-F397 HydrophobicContact CD1-CD1 4.14Å; I243-F397 HydrophobicContact CD1-CG 4.24Å; I243-F397 HydrophobicContact CG1-CD1 4.37Å; I243-F397 HydrophobicContact CG2-CD1 4.05Å; I243-F397 HydrophobicContact CG2-CE1 4.5Å
244	V	98.6	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.1	177.6	-57.2	0	0	0	0	110.9	G218 L226 V242 A247 W249 M338 L339 C340 L341	G218-V244 CarbonylContact O-C 3.55Å; G218-V244 VanDerWaalsContact O-CA 3.31Å; G218-V244 WeakPolarHBondContact O-CA 3.31Å; L226-V244 HydrophobicContact CB-CG1 4.34Å; L226-V244 HydrophobicContact CD1-CG1 4.43Å; V242-V244 HydrophobicContact CG1-CG1 3.91Å; V244-A247 HydrophobicContact CB-CB 4.49Å; V244-A247 HydrophobicContact CG2-CB 4.34Å; V244-W249 HydrophobicContact CG2-CH2 3.75Å; V244-W249 HydrophobicContact CG2-CZ2 4.13Å; V244-M338 HydrophobicContact CG2-CE 4.08Å; V244-L339 PolarHBondContact N-O 3.18Å; V244-C340 HydrophobicContact CG2-CB 3.88Å; V244-C340 CarbonylContact O-C 3.48Å; V244-C340 WeakPolarHBondContact O-CA 3.46Å; V244-L341 PolarHBondContact O-N 3.32Å
245	F	98.6	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.6	-177.2	-62	-81.2	0	0	0	109.8	M160 G218 V219 S220 I243 A247 L341 M390 V393 F394	M160-F245 HydrophobicContact CE-CD2 3.48Å; M160-F245 VanDerWaalsContact CE-CD2 3.48Å; M160-F245 HydrophobicContact CE-CE2 3.31Å; M160-F245 HydrophobicContact CE-CG 4.37Å; M160-F245 HydrophobicContact CE-CZ 4.11Å; G218-F245 PolarHBondContact O-N 3.09Å; V219-F245 CarbonylContact C-O 3.45Å; V219-F245 WeakPolarHBondContact CA-O 3.42Å; V219-F245 HydrophobicContact CG1-CB 4.41Å; V219-F245 HydrophobicContact CG2-CB 4.26Å; V219-F245 HydrophobicContact CG2-CD2 4.23Å; S220-F245 PolarHBondContact N-O 2.76Å; I243-F245 HydrophobicContact CB-CE2 4.41Å; I243-F245 HydrophobicContact CD1-CE1 3.82Å; I243-F245 HydrophobicContact CD1-CE2 3.94Å; I243-F245 HydrophobicContact CD1-CZ 3.29Å; I243-F245 HydrophobicContact CG1-CD2 4.43Å; I243-F245 HydrophobicContact CG1-CE1 4.14Å; I243-F245 HydrophobicContact CG1-CE2 3.74Å; I243-F245 HydrophobicContact CG1-CZ 3.59Å; I243-F245 HydrophobicContact CG2-CE2 3.94Å; I243-F245 HydrophobicContact CG2-CZ 4.33Å; F245-A247 PolarHBondContact O-N 3.38Å; F245-A247 VanDerWaalsContact O-N 3.14Å; F245-L341 HydrophobicContact CD1-CB 3.77Å; F245-L341 HydrophobicContact CD1-CD2 3.75Å; F245-L341 HydrophobicContact CD1-CG 4.17Å; F245-L341 HydrophobicContact CE1-CB 4.13Å; F245-L341 HydrophobicContact CE1-CD2 3.84Å; F245-M390 HydrophobicContact CB-CE 3.34Å; F245-M390 HydrophobicContact CB-SD 4.15Å; F245-M390 HydrophobicContact CD1-CB 4.41Å; F245-M390 HydrophobicContact CD1-CE 3.8Å; F245-M390 HydrophobicContact CD1-CG 3.52Å; F245-M390 HydrophobicContact CD1-SD 4.04Å; F245-M390 HydrophobicContact CD2-CE 3.54Å; F245-M390 HydrophobicContact CE1-CB 4.35Å; F245-M390 HydrophobicContact CE1-CE 4.45Å; F245-M390 HydrophobicContact CE1-CG 3.58Å; F245-M390 HydrophobicContact CE2-CE 4.21Å; F245-M390 HydrophobicContact CG-CE 3.27Å; F245-M390 HydrophobicContact CG-CG 4.04Å; F245-M390 HydrophobicContact CG-SD 4.09Å; F245-M390 HydrophobicContact CZ-CG 4.12Å; F245-V393 HydrophobicContact CE1-CB 4.44Å; F245-V393 HydrophobicContact CE1-CG1 4.45Å; F245-F394 HydrophobicContact CE2-CB 4.33Å; F245-F394 HydrophobicContact CE2-CD2 4.34Å; F245-F394 HydrophobicContact CZ-CB 3.79Å
246	S	98.1	Very high	97.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	49.6	41.5	176	-53.9	0	0	0	0	113.3	S220 L341 H375 F378	S220-S246 WeakPolarHBondContact CA-O 3.38Å; S246-L341 PolarHBondContact N-O 2.8Å; S246-H375 WeakPolarHBondContact CB-O 3.41Å; S246-H375 PolarHBondContact O-CE1 2.99Å; S246-H375 PolarHBondContact OG-O 3.33Å; S246-F378 VanDerWaalsContact OG-CE2 3.32Å; S246-F378 WeakPolarHBondContact OG-CE2 3.35Å; S246-F378 WeakPolarHBondContact OG-CZ 3.5Å
247	A	97.8	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.			trans	-63.4	137.4	173.7	0	0	0	0	0	109.5	M224 V244 F245 W249 N342 S349	M224-A247 HydrophobicContact CG-CB 4.42Å; V244-A247 HydrophobicContact CB-CB 4.49Å; V244-A247 HydrophobicContact CG2-CB 4.34Å; F245-A247 PolarHBondContact O-N 3.38Å; F245-A247 VanDerWaalsContact O-N 3.14Å; A247-W249 HydrophobicContact CB-CD2 4.4Å; A247-W249 HydrophobicContact CB-CH2 4.06Å; A247-W249 HydrophobicContact CB-CZ2 3.92Å; A247-W249 HydrophobicContact CB-CZ3 4.33Å; A247-W249 VanDerWaalsContact O-CD1 3.3Å; A247-W249 PolarHBondContact O-N 2.98Å; A247-W249 PolarHBondContact O-NE1 3.18Å; A247-N342 PolarHBondContact O-ND2 2.98Å; A247-S349 PolarHBondContact O-OG 3.1Å
248	G	97.1	Very high	97.9	Very high	7 Å²	7	19.9 Å²	19.9	7%	0.072	11%	0.108	C	C	.	.			trans	-78	111.1	168.6	0	0	0	0	0	109.9	M224 C254 P327	M224-G248 WeakPolarHBondContact CE-O 3.44Å; M224-G248 WeakPolarHBondContact CG-O 3.29Å; G248-C254 WeakPolarHBondContact CA-SG 3.21Å; G248-P327 VanDerWaalsContact O-CD 3.3Å; G248-P327 WeakPolarHBondContact O-CD 3.3Å
249	W	98.1	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-83.5	-31.5	-170	-62.1	110.1	0	0	0	114.4	A227 V244 A247 P327 V328 L331 M338 C340 N342 A353 P355	A227-W249 HydrophobicContact CB-CZ3 4.34Å; V244-W249 HydrophobicContact CG2-CH2 3.75Å; V244-W249 HydrophobicContact CG2-CZ2 4.13Å; A247-W249 HydrophobicContact CB-CD2 4.4Å; A247-W249 HydrophobicContact CB-CH2 4.06Å; A247-W249 HydrophobicContact CB-CZ2 3.92Å; A247-W249 HydrophobicContact CB-CZ3 4.33Å; A247-W249 VanDerWaalsContact O-CD1 3.3Å; A247-W249 PolarHBondContact O-N 2.98Å; A247-W249 PolarHBondContact O-NE1 3.18Å; W249-P327 HydrophobicContact CE3-CB 4.16Å; W249-P327 HydrophobicContact CZ3-CB 4.38Å; W249-P327 VanDerWaalsContact O-CD 3.26Å; W249-P327 WeakPolarHBondContact O-CD 3.5Å; W249-V328 WeakPolarHBondContact O-CB 3.22Å; W249-V328 VanDerWaalsContact O-CG1 3.31Å; W249-V328 WeakPolarHBondContact O-CG1 3.42Å; W249-V328 PolarHBondContact O-N 3.37Å; W249-V328 VanDerWaalsContact O-N 3.11Å; W249-L331 HydrophobicContact CE3-CD1 4.06Å; W249-L331 HydrophobicContact CZ3-CD1 4Å; W249-L331 HydrophobicContact CZ3-CD2 3.97Å; W249-L331 HydrophobicContact CZ3-CG 4.42Å; W249-M338 HydrophobicContact CH2-CE 3.73Å; W249-M338 HydrophobicContact CZ3-CE 4.03Å; W249-C340 HydrophobicContact CH2-CB 4.08Å; W249-C340 VanDerWaalsContact CH2-SG 3.58Å; W249-C340 HydrophobicContact CZ2-CB 3.77Å; W249-N342 PolarHBondContact NE1-ND2 3.31Å; W249-N342 PolarHBondContact NE1-OD1 3.38Å; W249-A353 WeakPolarHBondContact CB-O 3.29Å; W249-P355 HydrophobicContact CB-CG 4.2Å; W249-P355 HydrophobicContact CD2-CG 3.58Å; W249-P355 HydrophobicContact CE3-CG 3.92Å; W249-P355 HydrophobicContact CG-CG 3.73Å
250	D	98.4	Very high	97.9	Very high	34 Å²	34	25.6 Å²	25.6	18%	0.182	13%	0.129	C	C	.	.			trans	-131.7	111.4	175.2	-170.8	-45.3	0	0	0	109.1	F252 E253 C254 S326 V328 A353	D250-F252 VanDerWaalsContact C-N 3.27Å; D250-F252 PolarHBondContact O-N 2.88Å; D250-F252 WeakPolarHBondContact OD1-CB 3.37Å; D250-F252 PolarHBondContact OD1-N 3.16Å; D250-E253 HydrophobicContact CB-CB 4.16Å; D250-E253 HydrophobicContact CB-CG 4.08Å; D250-E253 PolarHBondContact O-N 2.88Å; D250-E253 PolarHBondContact OD1-N 2.75Å; D250-C254 WeakPolarHBondContact O-CB 3.21Å; D250-C254 PolarHBondContact O-N 3.44Å; D250-C254 PolarHBondContact O-SG 2.55Å; D250-S326 WeakPolarHBondContact CA-OG 3.03Å; D250-V328 HydrophobicContact CB-CG1 4.48Å; D250-A353 HydrophobicContact CB-CB 4.34Å
251	V	98.2	Very high	98	Very high	12 Å²	12	25.5 Å²	25.5	7%	0.073	14%	0.141	C	C	.	.	H	α-helix	trans	-64.9	-30.5	-174.5	-177.7	0	0	0	0	112.1	M224 T255 Y322 A325 S326	M224-V251 HydrophobicContact CE-CG2 3.45Å; M224-V251 VanDerWaalsContact CE-CG2 3.45Å; V251-T255 HydrophobicContact CG1-CG2 4.07Å; V251-T255 WeakPolarHBondContact O-CB 3.42Å; V251-T255 WeakPolarHBondContact O-CG2 3.38Å; V251-T255 PolarHBondContact O-N 3.22Å; V251-T255 PolarHBondContact O-OG1 3.06Å; V251-Y322 HydrophobicContact CB-CD2 4.36Å; V251-Y322 HydrophobicContact CB-CG 4.14Å; V251-Y322 HydrophobicContact CG1-CD1 3.62Å; V251-Y322 HydrophobicContact CG1-CD2 3.77Å; V251-Y322 HydrophobicContact CG1-CE1 3.78Å; V251-Y322 HydrophobicContact CG1-CE2 3.93Å; V251-Y322 HydrophobicContact CG1-CG 3.6Å; V251-A325 HydrophobicContact CG2-CB 3.74Å; V251-S326 PolarHBondContact N-OG 3.15Å
252	F	98.3	Very high	97.9	Very high	53 Å²	53	29.9 Å²	29.9	23%	0.232	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-47.9	175.4	-64.5	-86.6	0	0	0	110.5	D250 T255 A256 D319 Y322 R323	D250-F252 VanDerWaalsContact C-N 3.27Å; D250-F252 PolarHBondContact O-N 2.88Å; D250-F252 WeakPolarHBondContact OD1-CB 3.37Å; D250-F252 PolarHBondContact OD1-N 3.16Å; F252-T255 PolarHBondContact O-OG1 2.97Å; F252-T255 VanDerWaalsContact O-OG1 3.05Å; F252-A256 VanDerWaalsContact O-CB 3.27Å; F252-A256 WeakPolarHBondContact O-CB 3.47Å; F252-A256 PolarHBondContact O-N 3.37Å; F252-D319 HydrophobicContact CE1-CB 4.04Å; F252-D319 HydrophobicContact CZ-CB 4.08Å; F252-D319 WeakPolarHBondContact CZ-O 3.47Å; F252-Y322 AromaticContact CD1-CD2 3.83Å; F252-Y322 HydrophobicContact CD1-CD2 3.83Å; F252-Y322 AromaticContact CE1-CD2 3.94Å; F252-Y322 HydrophobicContact CE1-CD2 3.94Å; F252-Y322 HydrophobicContact CE1-CG 4.37Å; F252-Y322 HydrophobicContact CG-CD2 4.19Å; F252-Y322 VanDerWaalsContact CZ-CB 3.44Å; F252-Y322 HydrophobicContact CZ-CD2 4.41Å; F252-Y322 HydrophobicContact CZ-CG 4.43Å; F252-R323 HydrophobicContact CE2-CB 4.33Å
253	E	98.3	Very high	97.8	Very high	74 Å²	74	30.1 Å²	30.1	35%	0.346	17%	0.165	S	C	.	.	H	α-helix	trans	-69.2	-39.8	179.9	-62.8	-59.5	154	0	0	112.2	D250 S257 P350 H352 A353	D250-E253 HydrophobicContact CB-CB 4.16Å; D250-E253 HydrophobicContact CB-CG 4.08Å; D250-E253 PolarHBondContact O-N 2.88Å; D250-E253 PolarHBondContact OD1-N 2.75Å; E253-S257 WeakPolarHBondContact O-CB 3.4Å; E253-S257 PolarHBondContact O-N 3.18Å; E253-P350 HydrophobicContact CB-CG 4.23Å; E253-H352 IonicContact OE2-CD2 3.06Å; E253-H352 IonicContact OE2-CE1 3.28Å; E253-H352 IonicContact OE2-NE2 3Å; E253-H352 PolarHBondContact OE2-NE2 2.82Å; E253-A353 HydrophobicContact CB-CB 3.67Å; E253-A353 HydrophobicContact CG-CB 4.06Å
254	C	98	Very high	97.7	Very high	12 Å²	12	34.5 Å²	34.5	8%	0.081	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-47.7	176.9	-64.4	0	0	0	0	111	G248 D250 S257 L258 F348	G248-C254 WeakPolarHBondContact CA-SG 3.21Å; D250-C254 WeakPolarHBondContact O-CB 3.21Å; D250-C254 PolarHBondContact O-N 3.44Å; D250-C254 PolarHBondContact O-SG 2.55Å; C254-S257 PolarHBondContact O-N 3.29Å; C254-L258 WeakPolarHBondContact O-CG 3.41Å; C254-L258 PolarHBondContact O-N 2.81Å; C254-F348 WeakPolarHBondContact CA-O 3.33Å; C254-F348 WeakPolarHBondContact CB-O 3.11Å; C254-F348 PolarHBondContact SG-O 2.9Å
255	T	97.2	Very high	97.6	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.043	22%	0.215	C	C	.	.	H	α-helix	trans	-69.7	-41.9	-179.2	54.8	0	0	0	0	111.7	V251 F252 S257 L258 E259 R302 Y322	V251-T255 HydrophobicContact CG1-CG2 4.07Å; V251-T255 WeakPolarHBondContact O-CB 3.42Å; V251-T255 WeakPolarHBondContact O-CG2 3.38Å; V251-T255 PolarHBondContact O-N 3.22Å; V251-T255 PolarHBondContact O-OG1 3.06Å; F252-T255 PolarHBondContact O-OG1 2.97Å; F252-T255 VanDerWaalsContact O-OG1 3.05Å; T255-S257 VanDerWaalsContact C-N 3.3Å; T255-S257 PolarHBondContact O-N 3.42Å; T255-L258 PolarHBondContact O-N 2.56Å; T255-E259 WeakPolarHBondContact O-CB 3.49Å; T255-E259 VanDerWaalsContact O-CG 3.25Å; T255-E259 WeakPolarHBondContact O-CG 3.48Å; T255-E259 PolarHBondContact O-N 3.26Å; T255-R302 PolarHBondContact OG1-NH2 2.86Å; T255-Y322 HydrophobicContact CG2-CE2 3.83Å; T255-Y322 WeakPolarHBondContact CG2-OH 3.33Å; T255-Y322 WeakPolarHBondContact OG1-CE2 3.27Å
256	A	98.1	Very high	97.5	Very high	44 Å²	44	44.3 Å²	44.3	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-59.8	-39.5	174.1	0	0	0	0	0	112.3	F252 E259	F252-A256 VanDerWaalsContact O-CB 3.27Å; F252-A256 WeakPolarHBondContact O-CB 3.47Å; F252-A256 PolarHBondContact O-N 3.37Å; A256-E259 PolarHBondContact O-N 3.1Å
257	S	97.9	Very high	97.4	Very high	7 Å²	7	44.8 Å²	44.8	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-46.4	175.4	-172	0	0	0	0	111.9	E253 C254 T255 E259 K260 V347	E253-S257 WeakPolarHBondContact O-CB 3.4Å; E253-S257 PolarHBondContact O-N 3.18Å; C254-S257 PolarHBondContact O-N 3.29Å; T255-S257 VanDerWaalsContact C-N 3.3Å; T255-S257 PolarHBondContact O-N 3.42Å; S257-E259 PolarHBondContact O-N 3.49Å; S257-K260 WeakPolarHBondContact O-CB 3.28Å; S257-K260 WeakPolarHBondContact O-CD 3.15Å; S257-K260 WeakPolarHBondContact O-CG 3.42Å; S257-K260 PolarHBondContact O-N 3.48Å; S257-V347 VanDerWaalsContact CB-O 3.28Å; S257-V347 WeakPolarHBondContact CB-O 3.5Å; S257-V347 PolarHBondContact OG-O 3.36Å
258	L	97.4	Very high	97.4	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-70.4	-15.5	178.7	-71	173.8	0	0	0	114.1	C254 T255 D263 R264 F267 N268 I301 V347 F348	C254-L258 WeakPolarHBondContact O-CG 3.41Å; C254-L258 PolarHBondContact O-N 2.81Å; T255-L258 PolarHBondContact O-N 2.56Å; L258-D263 CarbonylContact O-C 3.57Å; L258-R264 WeakPolarHBondContact O-CA 2.8Å; L258-R264 PolarHBondContact O-N 3.13Å; L258-R264 VanDerWaalsContact O-N 3.07Å; L258-F267 HydrophobicContact CD2-CB 4.13Å; L258-N268 HydrophobicContact CB-CB 4.38Å; L258-N268 WeakPolarHBondContact O-CB 3.3Å; L258-N268 PolarHBondContact O-ND2 2.86Å; L258-I301 HydrophobicContact CD1-CD1 4.26Å; L258-V347 HydrophobicContact CD2-CG2 4.41Å; L258-F348 HydrophobicContact CD1-CD1 3.79Å; L258-F348 HydrophobicContact CD1-CE1 4.21Å; L258-F348 HydrophobicContact CD1-CG 4.37Å; L258-F348 HydrophobicContact CD2-CD1 3.88Å; L258-F348 HydrophobicContact CD2-CD2 4.08Å; L258-F348 HydrophobicContact CD2-CE1 4.02Å; L258-F348 HydrophobicContact CD2-CE2 4.21Å; L258-F348 HydrophobicContact CD2-CG 3.92Å; L258-F348 HydrophobicContact CD2-CZ 4.19Å; L258-F348 HydrophobicContact CG-CD1 4.38Å
259	E	97.6	Very high	97.4	Very high	50 Å²	50	46.8 Å²	46.8	23%	0.234	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.4	177.6	-75.4	174.1	162.9	0	0	113.2	T255 A256 S257 T300 R302	T255-E259 WeakPolarHBondContact O-CB 3.49Å; T255-E259 VanDerWaalsContact O-CG 3.25Å; T255-E259 WeakPolarHBondContact O-CG 3.48Å; T255-E259 PolarHBondContact O-N 3.26Å; A256-E259 PolarHBondContact O-N 3.1Å; S257-E259 PolarHBondContact O-N 3.49Å; E259-T300 HydrophobicContact CG-CG2 4.39Å; E259-T300 PolarHBondContact OE1-OG1 2.94Å; E259-R302 VanDerWaalsContact OE1-CB 3.26Å; E259-R302 WeakPolarHBondContact OE1-CB 3.41Å; E259-R302 IonicContact OE1-NE 2.94Å; E259-R302 PolarHBondContact OE1-NE 3.39Å; E259-R302 IonicContact OE2-CZ 3.68Å; E259-R302 IonicContact OE2-NE 2.82Å; E259-R302 PolarHBondContact OE2-NE 2.93Å; E259-R302 VanDerWaalsContact OE2-NE 3.12Å; E259-R302 IonicContact OE2-NH2 2.7Å; E259-R302 PolarHBondContact OE2-NH2 2.74Å
260	K	97.6	Very high	97.3	Very high	108 Å²	108	54.1 Å²	54.1	47%	0.47	27%	0.27	S	S	.	.	S	Bend	trans	-60	148.2	170.8	-68	172.7	-175.8	163.3	0	110.8	S257 L262 D263 R264	S257-K260 WeakPolarHBondContact O-CB 3.28Å; S257-K260 WeakPolarHBondContact O-CD 3.15Å; S257-K260 WeakPolarHBondContact O-CG 3.42Å; S257-K260 PolarHBondContact O-N 3.48Å; K260-L262 PolarHBondContact O-N 3.48Å; K260-D263 PolarHBondContact O-N 2.93Å; K260-D263 VanDerWaalsContact O-N 3.15Å; K260-R264 WeakPolarHBondContact O-CB 3.22Å; K260-R264 PolarHBondContact O-N 2.84Å
261	P	97.1	Very high	97.2	Very high	118 Å²	118	53.6 Å²	53.6	77%	0.766	27%	0.267	S	S	*	.	H	α-helix	trans	-52.3	-48.1	-166.7	-29.9	35.4	0	0	0	115.8	F265	P261-F265 PolarHBondContact O-N 3Å
262	L	96.3	Very high	97.2	Very high	92 Å²	92	53.1 Å²	53.1	48%	0.482	26%	0.264	S	S	.	.	H	α-helix	trans	-70.8	-44.3	-179.1	-177.7	60.2	0	0	0	112	K260 R264 F265 L266	K260-L262 PolarHBondContact O-N 3.48Å; L262-R264 VanDerWaalsContact C-N 3.32Å; L262-R264 PolarHBondContact O-N 2.88Å; L262-F265 PolarHBondContact O-N 3.1Å; L262-L266 HydrophobicContact CD1-CD1 3.77Å; L262-L266 HydrophobicContact CD1-CG 4.06Å; L262-L266 HydrophobicContact CG-CD1 3.82Å; L262-L266 HydrophobicContact CG-CG 4.42Å; L262-L266 WeakPolarHBondContact O-CB 3.43Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 2.9Å
263	D	96.9	Very high	97.1	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-72.1	-30.4	-178.1	-60.4	-45.2	0	0	0	111.7	R90 L258 K260 F267 N268	R90-D263 IonicContact CZ-OD1 3.6Å; R90-D263 VanDerWaalsContact CZ-OD1 3.26Å; R90-D263 IonicContact CZ-OD2 2.86Å; R90-D263 IonicContact NE-OD1 3.87Å; R90-D263 PolarHBondContact NE-OD1 2.99Å; R90-D263 IonicContact NH2-OD1 2.85Å; R90-D263 PolarHBondContact NH2-OD1 2.92Å; R90-D263 IonicContact NH2-OD2 2.74Å; R90-D263 PolarHBondContact NH2-OD2 3.36Å; L258-D263 CarbonylContact O-C 3.57Å; K260-D263 PolarHBondContact O-N 2.93Å; K260-D263 VanDerWaalsContact O-N 3.15Å; D263-F267 HydrophobicContact CB-CD2 4.4Å; D263-F267 WeakPolarHBondContact O-CA 3.46Å; D263-F267 WeakPolarHBondContact O-CB 3.21Å; D263-F267 PolarHBondContact O-N 3.23Å; D263-N268 PolarHBondContact O-N 3.22Å; D263-N268 VanDerWaalsContact O-N 3.14Å
264	R	96.8	Very high	97.1	Very high	93 Å²	93	51.6 Å²	51.6	35%	0.351	27%	0.268	S	S	.	.	I	π-helix	trans	-63.4	-45.1	171.6	-176.8	178.1	178.1	162.9	6	111.4	L258 K260 L262 N268 S269	L258-R264 WeakPolarHBondContact O-CA 2.8Å; L258-R264 PolarHBondContact O-N 3.13Å; L258-R264 VanDerWaalsContact O-N 3.07Å; K260-R264 WeakPolarHBondContact O-CB 3.22Å; K260-R264 PolarHBondContact O-N 2.84Å; L262-R264 VanDerWaalsContact C-N 3.32Å; L262-R264 PolarHBondContact O-N 2.88Å; R264-N268 HydrophobicContact CB-CB 4.46Å; R264-N268 HydrophobicContact CG-CB 4.34Å; R264-S269 WeakPolarHBondContact O-CB 2.82Å; R264-S269 PolarHBondContact O-N 3.07Å; R264-S269 PolarHBondContact O-OG 3.39Å
265	F	96.6	Very high	97	Very high	159 Å²	159	51.6 Å²	51.6	70%	0.697	27%	0.267	S	S	*	.	I	π-helix	trans	-67.4	-47.7	177.5	175	-104.8	0	0	0	111.8	P261 L262	P261-F265 PolarHBondContact O-N 3Å; L262-F265 PolarHBondContact O-N 3.1Å
266	L	95.6	Very high	97	Very high	47 Å²	47	52.7 Å²	52.7	25%	0.246	27%	0.272	C	S	.	.	I	π-helix	trans	-76.1	-37.3	-174.3	-67.7	175.9	0	0	0	114.1	R90 L94 L262	R90-L266 HydrophobicContact CB-CD1 4.41Å; L94-L266 HydrophobicContact CD1-CD2 4.27Å; L262-L266 HydrophobicContact CD1-CD1 3.77Å; L262-L266 HydrophobicContact CD1-CG 4.06Å; L262-L266 HydrophobicContact CG-CD1 3.82Å; L262-L266 HydrophobicContact CG-CG 4.42Å; L262-L266 WeakPolarHBondContact O-CB 3.43Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 2.9Å
267	F	96.6	Very high	96.9	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.044	28%	0.276	C	S	.	.	I	π-helix	trans	-124.3	-55.5	-168	-56.3	-65.4	0	0	0	113.3	R90 T93 L94 L258 D263 S269 Y270 L271 V347 F348	R90-F267 HydrophobicContact CB-CE2 4.16Å; R90-F267 HydrophobicContact CB-CZ 3.95Å; R90-F267 HydrophobicContact CG-CE2 3.95Å; R90-F267 HydrophobicContact CG-CZ 4.23Å; T93-F267 HydrophobicContact CG2-CE1 3.9Å; T93-F267 HydrophobicContact CG2-CZ 4.36Å; L94-F267 HydrophobicContact CD1-CE1 4.38Å; L94-F267 HydrophobicContact CD1-CZ 4.3Å; L94-F267 HydrophobicContact CD2-CD1 4.27Å; L94-F267 HydrophobicContact CD2-CE1 3.58Å; L94-F267 HydrophobicContact CD2-CZ 4.31Å; L94-F267 HydrophobicContact CG-CE1 3.74Å; L94-F267 HydrophobicContact CG-CZ 4.02Å; L258-F267 HydrophobicContact CD2-CB 4.13Å; D263-F267 HydrophobicContact CB-CD2 4.4Å; D263-F267 WeakPolarHBondContact O-CA 3.46Å; D263-F267 WeakPolarHBondContact O-CB 3.21Å; D263-F267 PolarHBondContact O-N 3.23Å; F267-S269 PolarHBondContact O-N 3.34Å; F267-Y270 PolarHBondContact O-N 2.81Å; F267-L271 WeakPolarHBondContact O-CG 3.26Å; F267-L271 PolarHBondContact O-N 2.91Å; F267-V347 HydrophobicContact CD2-CG2 3.98Å; F267-V347 HydrophobicContact CE2-CG2 3.81Å; F267-F348 HydrophobicContact CB-CE1 4.37Å; F267-F348 HydrophobicContact CB-CE2 4.22Å; F267-F348 HydrophobicContact CB-CZ 3.66Å; F267-F348 AromaticContact CD1-CE2 3.81Å; F267-F348 HydrophobicContact CD1-CE2 3.81Å; F267-F348 AromaticContact CD1-CZ 3.62Å; F267-F348 HydrophobicContact CD1-CZ 3.62Å; F267-F348 AromaticContact CD2-CE2 3.99Å; F267-F348 HydrophobicContact CD2-CE2 3.99Å; F267-F348 HydrophobicContact CD2-CZ 4.29Å; F267-F348 HydrophobicContact CE1-CE2 4.13Å; F267-F348 HydrophobicContact CE1-CZ 4.33Å; F267-F348 HydrophobicContact CE2-CE2 4.32Å; F267-F348 AromaticContact CG-CE2 3.73Å; F267-F348 HydrophobicContact CG-CE2 3.73Å; F267-F348 AromaticContact CG-CZ 3.59Å; F267-F348 HydrophobicContact CG-CZ 3.59Å; F267-F348 HydrophobicContact CZ-CE2 4.38Å
268	N	97.5	Very high	96.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.278	C	S	.	.	I	π-helix	trans	-60.5	-46.6	-170.3	-163.8	-47.4	0	0	0	111.9	L258 D263 R264 Y270 L271 T272 T300 I301	L258-N268 HydrophobicContact CB-CB 4.38Å; L258-N268 WeakPolarHBondContact O-CB 3.3Å; L258-N268 PolarHBondContact O-ND2 2.86Å; D263-N268 PolarHBondContact O-N 3.22Å; D263-N268 VanDerWaalsContact O-N 3.14Å; R264-N268 HydrophobicContact CB-CB 4.46Å; R264-N268 HydrophobicContact CG-CB 4.34Å; N268-Y270 PolarHBondContact O-N 3.3Å; N268-L271 PolarHBondContact O-N 3.13Å; N268-T272 WeakPolarHBondContact O-CB 3.46Å; N268-T272 PolarHBondContact O-N 3.28Å; N268-T272 PolarHBondContact O-OG1 3.11Å; N268-T272 PolarHBondContact OD1-OG1 2.79Å; N268-T300 WeakPolarHBondContact OD1-CA 3.39Å; N268-T300 WeakPolarHBondContact OD1-CB 3.29Å; N268-I301 PolarHBondContact OD1-N 2.97Å
269	S	96.4	Very high	96.7	Very high	47 Å²	47	53.1 Å²	53.1	33%	0.329	28%	0.276	S	S	.	.	H	α-helix	trans	-65.4	-39.6	-179.2	-53.3	0	0	0	0	111.9	R264 F267 S273	R264-S269 WeakPolarHBondContact O-CB 2.82Å; R264-S269 PolarHBondContact O-N 3.07Å; R264-S269 PolarHBondContact O-OG 3.39Å; F267-S269 PolarHBondContact O-N 3.34Å; S269-S273 PolarHBondContact O-N 3.02Å; S269-S273 PolarHBondContact O-OG 3.42Å
270	Y	96.3	Very high	96.6	Very high	154 Å²	154	55.6 Å²	55.6	60%	0.604	29%	0.288	S	S	*	.	H	α-helix	trans	-63.4	-49.1	175.6	173.7	-102.4	0	0	0	111.3	F267 N268 T272 S273 C274	F267-Y270 PolarHBondContact O-N 2.81Å; N268-Y270 PolarHBondContact O-N 3.3Å; Y270-T272 PolarHBondContact O-N 3.3Å; Y270-S273 WeakPolarHBondContact O-CA 3.39Å; Y270-S273 WeakPolarHBondContact O-CB 3.22Å; Y270-S273 PolarHBondContact O-N 3.38Å; Y270-S273 VanDerWaalsContact O-N 3.11Å; Y270-C274 VanDerWaalsContact CZ-SG 3.6Å; Y270-C274 PolarHBondContact O-N 2.95Å; Y270-C274 PolarHBondContact O-SG 3.19Å; Y270-C274 VanDerWaalsContact O-SG 3.36Å
271	L	96.5	Very high	96.6	Very high	24 Å²	24	57.3 Å²	57.3	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-39.2	179.3	-71.4	168.3	0	0	0	112.7	F267 N268 S273 C274 L275 I301 F348	F267-L271 WeakPolarHBondContact O-CG 3.26Å; F267-L271 PolarHBondContact O-N 2.91Å; N268-L271 PolarHBondContact O-N 3.13Å; L271-S273 VanDerWaalsContact C-N 3.26Å; L271-S273 PolarHBondContact O-N 3Å; L271-C274 WeakPolarHBondContact O-CB 3.42Å; L271-C274 PolarHBondContact O-N 3.06Å; L271-L275 WeakPolarHBondContact O-CG 3.47Å; L271-L275 PolarHBondContact O-N 3.04Å; L271-I301 HydrophobicContact CB-CD1 3.94Å; L271-I301 HydrophobicContact CB-CG1 4.28Å; L271-I301 HydrophobicContact CD1-CD1 4.08Å; L271-F348 HydrophobicContact CD1-CE1 3.58Å; L271-F348 HydrophobicContact CD1-CZ 4.2Å
272	T	97.9	Very high	96.5	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-43.3	172.3	-54.5	0	0	0	0	110.4	N268 Y270 L275 Q276 A298 T300 I301	N268-T272 WeakPolarHBondContact O-CB 3.46Å; N268-T272 PolarHBondContact O-N 3.28Å; N268-T272 PolarHBondContact O-OG1 3.11Å; N268-T272 PolarHBondContact OD1-OG1 2.79Å; Y270-T272 PolarHBondContact O-N 3.3Å; T272-L275 PolarHBondContact O-N 2.99Å; T272-Q276 WeakPolarHBondContact O-CB 3.2Å; T272-Q276 VanDerWaalsContact O-CG 3.32Å; T272-Q276 WeakPolarHBondContact O-CG 3.27Å; T272-Q276 PolarHBondContact O-N 3.25Å; T272-A298 HydrophobicContact CG2-CB 4.21Å; T272-T300 WeakPolarHBondContact OG1-CA 3.4Å; T272-I301 PolarHBondContact OG1-N 3.4Å
273	S	97.7	Very high	96.6	Very high	66 Å²	66	50 Å²	50	46%	0.462	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-38.9	177	-55.1	0	0	0	0	112.1	S269 Y270 L271 Q276 A277	S269-S273 PolarHBondContact O-N 3.02Å; S269-S273 PolarHBondContact O-OG 3.42Å; Y270-S273 WeakPolarHBondContact O-CA 3.39Å; Y270-S273 WeakPolarHBondContact O-CB 3.22Å; Y270-S273 PolarHBondContact O-N 3.38Å; Y270-S273 VanDerWaalsContact O-N 3.11Å; L271-S273 VanDerWaalsContact C-N 3.26Å; L271-S273 PolarHBondContact O-N 3Å; S273-Q276 PolarHBondContact O-N 3.38Å; S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.12Å
274	C	96.3	Very high	96.5	Very high	29 Å²	29	53.7 Å²	53.7	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-42.1	174.4	-65.8	0	0	0	0	112.2	T149 Y270 L271 A277 S278	T149-C274 HydrophobicContact CG2-CB 3.95Å; Y270-C274 VanDerWaalsContact CZ-SG 3.6Å; Y270-C274 PolarHBondContact O-N 2.95Å; Y270-C274 PolarHBondContact O-SG 3.19Å; Y270-C274 VanDerWaalsContact O-SG 3.36Å; L271-C274 WeakPolarHBondContact O-CB 3.42Å; L271-C274 PolarHBondContact O-N 3.06Å; C274-A277 PolarHBondContact O-N 2.92Å; C274-S278 PolarHBondContact O-N 3.09Å
275	L	97.1	Very high	96.5	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-46.1	175.4	-75.6	167.9	0	0	0	111.5	L148 T149 L271 T272 A277 S278 V279 I301 F304	L148-L275 HydrophobicContact CD1-CD2 3.73Å; L148-L275 HydrophobicContact CD1-CG 4.5Å; L148-L275 HydrophobicContact CD2-CD1 4.21Å; L148-L275 HydrophobicContact CG-CD2 4.33Å; T149-L275 HydrophobicContact CG2-CD2 3.97Å; T149-L275 HydrophobicContact CG2-CG 4.24Å; L271-L275 WeakPolarHBondContact O-CG 3.47Å; L271-L275 PolarHBondContact O-N 3.04Å; T272-L275 PolarHBondContact O-N 2.99Å; L275-A277 PolarHBondContact O-N 3.3Å; L275-S278 WeakPolarHBondContact O-CB 3.33Å; L275-S278 PolarHBondContact O-N 3.02Å; L275-V279 PolarHBondContact O-N 2.82Å; L275-I301 HydrophobicContact CD1-CG1 4.48Å; L275-I301 HydrophobicContact CD1-CG2 4.48Å; L275-F304 HydrophobicContact CB-CD1 4.16Å; L275-F304 HydrophobicContact CB-CD2 3.94Å; L275-F304 HydrophobicContact CB-CE1 3.96Å; L275-F304 HydrophobicContact CB-CE2 3.72Å; L275-F304 HydrophobicContact CB-CG 4.15Å; L275-F304 HydrophobicContact CB-CZ 3.73Å; L275-F304 HydrophobicContact CD1-CD1 3.8Å; L275-F304 HydrophobicContact CD1-CE1 4.1Å; L275-F304 HydrophobicContact CD1-CG 4.16Å; L275-F304 HydrophobicContact CD2-CE1 4Å; L275-F304 HydrophobicContact CD2-CZ 4.28Å; L275-F304 HydrophobicContact CG-CD1 4.39Å; L275-F304 HydrophobicContact CG-CE1 4.24Å; L275-F304 HydrophobicContact CG-CZ 4.45Å
276	Q	97.6	Very high	96.5	Very high	30 Å²	30	43 Å²	43	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-44.3	174.7	-76	174	-27.3	0	0	111.9	T272 S273 S278 V279 H280 V295 M296 A298 F304	T272-Q276 WeakPolarHBondContact O-CB 3.2Å; T272-Q276 VanDerWaalsContact O-CG 3.32Å; T272-Q276 WeakPolarHBondContact O-CG 3.27Å; T272-Q276 PolarHBondContact O-N 3.25Å; S273-Q276 PolarHBondContact O-N 3.38Å; Q276-S278 VanDerWaalsContact C-N 3.31Å; Q276-S278 PolarHBondContact O-N 3.38Å; Q276-V279 PolarHBondContact O-N 3.45Å; Q276-H280 WeakPolarHBondContact O-CB 3.48Å; Q276-H280 PolarHBondContact O-N 3.3Å; Q276-V295 PolarHBondContact NE2-O 2.64Å; Q276-M296 HydrophobicContact CB-CE 3.97Å; Q276-M296 HydrophobicContact CB-SD 3.83Å; Q276-M296 HydrophobicContact CG-CE 4.02Å; Q276-M296 HydrophobicContact CG-SD 4.17Å; Q276-M296 VanDerWaalsContact NE2-C 3.31Å; Q276-M296 PolarHBondContact NE2-O 2.84Å; Q276-A298 PolarHBondContact NE2-O 3.39Å; Q276-F304 HydrophobicContact CG-CD2 4.25Å
277	A	96.4	Very high	96.6	Very high	54 Å²	54	45.7 Å²	45.7	45%	0.446	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-38.3	176.4	0	0	0	0	0	112.3	S273 C274 L275 R281	S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.12Å; C274-A277 PolarHBondContact O-N 2.92Å; L275-A277 PolarHBondContact O-N 3.3Å; A277-R281 WeakPolarHBondContact O-CB 3.42Å; A277-R281 PolarHBondContact O-N 2.85Å
278	S	94.4	Very high	96.6	Very high	13 Å²	13	53 Å²	53	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-47.1	175.5	-178.9	0	0	0	0	111.7	C274 L275 Q276 R281 H282	C274-S278 PolarHBondContact O-N 3.09Å; L275-S278 WeakPolarHBondContact O-CB 3.33Å; L275-S278 PolarHBondContact O-N 3.02Å; Q276-S278 VanDerWaalsContact C-N 3.31Å; Q276-S278 PolarHBondContact O-N 3.38Å; S278-R281 PolarHBondContact O-N 3.43Å; S278-H282 PolarHBondContact O-CD2 3.48Å; S278-H282 VanDerWaalsContact O-CD2 3.25Å
279	V	95.8	Very high	96.6	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-45.6	175.8	168.5	0	0	0	0	111.4	L275 Q276 R281 H282 R283 L286 I292 V295 M296 F304 F308	L275-V279 PolarHBondContact O-N 2.82Å; Q276-V279 PolarHBondContact O-N 3.45Å; V279-R281 VanDerWaalsContact C-N 3.29Å; V279-R281 PolarHBondContact O-N 2.8Å; V279-H282 CarbonylContact O-C 3.4Å; V279-H282 PolarHBondContact O-N 2.67Å; V279-R283 PolarHBondContact O-N 3.35Å; V279-L286 HydrophobicContact CB-CD1 4.36Å; V279-L286 HydrophobicContact CG1-CD1 3.95Å; V279-I292 HydrophobicContact CG1-CD1 3.91Å; V279-I292 HydrophobicContact CG1-CG2 4.05Å; V279-V295 HydrophobicContact CG1-CG1 4.43Å; V279-M296 HydrophobicContact CB-CE 4.03Å; V279-M296 HydrophobicContact CG1-CE 3.82Å; V279-F304 HydrophobicContact CG2-CE2 3.81Å; V279-F304 HydrophobicContact CG2-CZ 3.59Å; V279-F308 HydrophobicContact CG1-CE2 4.4Å; V279-F308 HydrophobicContact CG1-CZ 4.4Å; V279-F308 HydrophobicContact CG2-CD1 3.81Å; V279-F308 HydrophobicContact CG2-CE1 3.46Å; V279-F308 VanDerWaalsContact CG2-CE1 3.46Å; V279-F308 HydrophobicContact CG2-CE2 4.45Å; V279-F308 HydrophobicContact CG2-CG 4.43Å; V279-F308 HydrophobicContact CG2-CZ 3.82Å
280	H	96.3	Very high	96.6	Very high	103 Å²	103	56.6 Å²	56.6	48%	0.477	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-39.1	-179.6	-175.7	-81.4	0	0	0	112.2	Q276 H282 R283 M296	Q276-H280 WeakPolarHBondContact O-CB 3.48Å; Q276-H280 PolarHBondContact O-N 3.3Å; H280-H282 PolarHBondContact O-N 3.15Å; H280-R283 VanDerWaalsContact O-CB 3.26Å; H280-R283 WeakPolarHBondContact O-CB 3.37Å; H280-R283 PolarHBondContact O-N 2.91Å; H280-R283 VanDerWaalsContact O-N 3.13Å; H280-M296 HydrophobicContact CB-SD 4.13Å
281	R	95.7	Very high	96.7	Very high	143 Å²	143	54.3 Å²	54.3	54%	0.54	28%	0.283	S	S	.	.	H	α-helix	trans	-56	-33.8	175.8	-176.6	-175.2	-64.6	161.9	-0.8	112.4	V179 A277 S278 V279	V179-R281 PolarHBondContact O-NH1 3.29Å; A277-R281 WeakPolarHBondContact O-CB 3.42Å; A277-R281 PolarHBondContact O-N 2.85Å; S278-R281 PolarHBondContact O-N 3.43Å; V279-R281 VanDerWaalsContact C-N 3.29Å; V279-R281 PolarHBondContact O-N 2.8Å
282	H	96.8	Very high	96.8	Very high	5 Å²	5	53.3 Å²	53.3	2%	0.023	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	19.9	-178.4	-57.7	-64.5	0	0	0	113.2	G178 E182 L184 S278 V279 H280 P284 V285 L286	G178-H282 WeakPolarHBondContact CA-NE2 3.29Å; G178-H282 PolarHBondContact O-NE2 2.94Å; E182-H282 PolarHBondContact O-CE1 2.99Å; L184-H282 HydrophobicContact CB-CB 4.27Å; L184-H282 HydrophobicContact CD1-CB 3.61Å; L184-H282 HydrophobicContact CG-CB 4.03Å; L184-H282 PolarHBondContact N-ND1 2.7Å; S278-H282 PolarHBondContact O-CD2 3.48Å; S278-H282 VanDerWaalsContact O-CD2 3.25Å; V279-H282 CarbonylContact O-C 3.4Å; V279-H282 PolarHBondContact O-N 2.67Å; H280-H282 PolarHBondContact O-N 3.15Å; H282-P284 VanDerWaalsContact C-N 3.32Å; H282-V285 PolarHBondContact O-N 3.42Å; H282-L286 HydrophobicContact CB-CD1 3.87Å; H282-L286 HydrophobicContact CB-CG 4.23Å; H282-L286 PolarHBondContact O-N 3.36Å
283	R	96.8	Very high	96.8	Very high	52 Å²	52	57.5 Å²	57.5	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-46.9	-45.8	178.5	176	-177.7	-77.8	-100.6	6.9	113.2	V279 H280 V285 L286 E287 I292 D293	V279-R283 PolarHBondContact O-N 3.35Å; H280-R283 VanDerWaalsContact O-CB 3.26Å; H280-R283 WeakPolarHBondContact O-CB 3.37Å; H280-R283 PolarHBondContact O-N 2.91Å; H280-R283 VanDerWaalsContact O-N 3.13Å; R283-V285 PolarHBondContact O-N 3.24Å; R283-L286 PolarHBondContact O-N 3.23Å; R283-E287 HydrophobicContact CG-CB 4.17Å; R283-E287 HydrophobicContact CG-CG 4.44Å; R283-E287 WeakPolarHBondContact CG-OE2 3.35Å; R283-E287 VanDerWaalsContact O-CB 3.29Å; R283-E287 WeakPolarHBondContact O-CB 3.36Å; R283-E287 WeakPolarHBondContact O-CG 3.36Å; R283-E287 PolarHBondContact O-N 3.38Å; R283-I292 HydrophobicContact CG-CG2 4.44Å; R283-D293 IonicContact CZ-OD1 3.45Å; R283-D293 VanDerWaalsContact CZ-OD1 3.28Å; R283-D293 IonicContact NH1-OD1 3.58Å; R283-D293 PolarHBondContact NH1-OD1 3.25Å; R283-D293 IonicContact NH2-OD1 2.72Å; R283-D293 PolarHBondContact NH2-OD1 3.06Å
284	P	96.4	Very high	96.8	Very high	82 Å²	82	58.2 Å²	58.2	53%	0.532	30%	0.296	S	S	.	.	H	α-helix	trans	-59.1	-21.7	-177.8	-26.1	35.7	0	0	0	115.2	H282 K288	H282-P284 VanDerWaalsContact C-N 3.32Å; P284-K288 VanDerWaalsContact O-CE 3.24Å; P284-K288 WeakPolarHBondContact O-CE 3.33Å
285	V	96.4	Very high	96.9	Very high	26 Å²	26	56.9 Å²	56.9	16%	0.158	29%	0.287	C	S	.	.	H	α-helix	trans	-98	-42.8	179.4	179	0	0	0	0	110	L184 T186 P187 H282 R283	L184-V285 HydrophobicContact CB-CG1 4.35Å; L184-V285 WeakPolarHBondContact O-CG2 3.46Å; T186-V285 WeakPolarHBondContact O-CG1 3.31Å; P187-V285 HydrophobicContact CB-CG1 4.45Å; H282-V285 PolarHBondContact O-N 3.42Å; R283-V285 PolarHBondContact O-N 3.24Å
286	L	97.4	Very high	97	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-77.6	-32.9	-174.5	-64.2	171.9	0	0	0	113.5	L184 P187 T189 V279 H282 R283 K288 C289 Y290 I292 F308	L184-L286 HydrophobicContact CD1-CD1 4.23Å; L184-L286 HydrophobicContact CD1-CD2 4.16Å; L184-L286 HydrophobicContact CD1-CG 4.28Å; P187-L286 HydrophobicContact CB-CD2 4.3Å; T189-L286 HydrophobicContact CG2-CD1 4.4Å; T189-L286 HydrophobicContact CG2-CD2 4.37Å; V279-L286 HydrophobicContact CB-CD1 4.36Å; V279-L286 HydrophobicContact CG1-CD1 3.95Å; H282-L286 HydrophobicContact CB-CD1 3.87Å; H282-L286 HydrophobicContact CB-CG 4.23Å; H282-L286 PolarHBondContact O-N 3.36Å; R283-L286 PolarHBondContact O-N 3.23Å; L286-K288 PolarHBondContact O-N 3.35Å; L286-K288 VanDerWaalsContact O-N 3.14Å; L286-C289 PolarHBondContact O-N 2.9Å; L286-Y290 HydrophobicContact CB-CD2 4.45Å; L286-Y290 HydrophobicContact CD2-CD2 4.29Å; L286-Y290 HydrophobicContact CD2-CE2 4.34Å; L286-Y290 WeakPolarHBondContact O-CD2 3.47Å; L286-Y290 PolarHBondContact O-N 2.85Å; L286-I292 HydrophobicContact CB-CD1 3.67Å; L286-I292 HydrophobicContact CB-CG1 4.44Å; L286-F308 HydrophobicContact CD1-CZ 4.01Å; L286-F308 HydrophobicContact CD2-CE2 4.49Å; L286-F308 HydrophobicContact CD2-CZ 4.07Å
287	E	96.9	Very high	97	Very high	104 Å²	104	63.8 Å²	63.8	49%	0.486	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.9	-178.1	77.2	-169.3	164.8	0	0	113.7	R283 C289 Y290 I292	R283-E287 HydrophobicContact CG-CB 4.17Å; R283-E287 HydrophobicContact CG-CG 4.44Å; R283-E287 WeakPolarHBondContact CG-OE2 3.35Å; R283-E287 VanDerWaalsContact O-CB 3.29Å; R283-E287 WeakPolarHBondContact O-CB 3.36Å; R283-E287 WeakPolarHBondContact O-CG 3.36Å; R283-E287 PolarHBondContact O-N 3.38Å; E287-C289 PolarHBondContact O-N 3.49Å; E287-Y290 WeakPolarHBondContact CA-O 3.44Å; E287-I292 HydrophobicContact CB-CG1 3.83Å
288	K	95.9	Very high	97.1	Very high	165 Å²	165	61.5 Å²	61.5	72%	0.717	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.5	172.9	-62.8	176.9	-179.9	170.6	0	112.7	P284 L286	P284-K288 VanDerWaalsContact O-CE 3.24Å; P284-K288 WeakPolarHBondContact O-CE 3.33Å; L286-K288 PolarHBondContact O-N 3.35Å; L286-K288 VanDerWaalsContact O-N 3.14Å
289	C	97.1	Very high	97.2	Very high	75 Å²	75	67.6 Å²	67.6	51%	0.507	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-22	-174.2	-61.5	0	0	0	0	113.4	P187 L286 E287	P187-C289 HydrophobicContact CB-CB 4.16Å; P187-C289 HydrophobicContact CG-CB 4.46Å; L286-C289 PolarHBondContact O-N 2.9Å; E287-C289 PolarHBondContact O-N 3.49Å
290	Y	97.6	Very high	97.3	Very high	48 Å²	48	67.6 Å²	67.6	19%	0.188	32%	0.323	C	S	.	.	S	Bend	trans	-134.3	146.4	-172	-50.2	-67.3	0	0	0	112.2	P187 L286 E287 I292 F308 I311 M312	P187-Y290 HydrophobicContact CB-CE2 4.14Å; P187-Y290 WeakPolarHBondContact O-CE2 3.41Å; P187-Y290 PolarHBondContact O-OH 2.94Å; L286-Y290 HydrophobicContact CB-CD2 4.45Å; L286-Y290 HydrophobicContact CD2-CD2 4.29Å; L286-Y290 HydrophobicContact CD2-CE2 4.34Å; L286-Y290 WeakPolarHBondContact O-CD2 3.47Å; L286-Y290 PolarHBondContact O-N 2.85Å; E287-Y290 WeakPolarHBondContact CA-O 3.44Å; Y290-I292 PolarHBondContact O-N 2.75Å; Y290-F308 AromaticContact CD2-CE2 3.82Å; Y290-F308 HydrophobicContact CD2-CE2 3.82Å; Y290-F308 HydrophobicContact CE2-CE2 4.45Å; Y290-F308 HydrophobicContact CG-CD2 4.42Å; Y290-F308 HydrophobicContact CG-CE2 4.04Å; Y290-I311 HydrophobicContact CD1-CG2 4.23Å; Y290-I311 HydrophobicContact CE1-CG2 4.3Å; Y290-M312 HydrophobicContact CE1-CB 4.1Å; Y290-M312 HydrophobicContact CE1-CG 4.33Å; Y290-M312 HydrophobicContact CE2-CB 4.44Å; Y290-M312 HydrophobicContact CE2-CG 3.94Å; Y290-M312 VanDerWaalsContact OH-CG 3.32Å; Y290-M312 WeakPolarHBondContact OH-CG 3.49Å
291	D	97.7	Very high	97.4	Very high	105 Å²	105	63.4 Å²	63.4	56%	0.561	30%	0.304	S	S	*	.			trans	-75.6	86.6	173.3	-176.8	-13.4	0	0	0	110.5	D293 H294 V295	D291-D293 PolarHBondContact O-N 3.34Å; D291-D293 PolarHBondContact OD1-N 3.37Å; D291-H294 HydrophobicContact CB-CB 4.02Å; D291-H294 VanDerWaalsContact CG-CB 3.44Å; D291-H294 WeakPolarHBondContact O-CB 3.45Å; D291-H294 PolarHBondContact O-N 3.39Å; D291-H294 PolarHBondContact OD1-N 2.8Å; D291-H294 WeakPolarHBondContact OD2-CB 3.44Å; D291-V295 WeakPolarHBondContact O-CG2 3.32Å; D291-V295 PolarHBondContact O-N 2.59Å
292	I	98.1	Very high	97.5	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-32.1	-177.3	-53	-53.5	0	0	0	111.7	V279 R283 L286 E287 Y290 H294 V295 M296 F308	V279-I292 HydrophobicContact CG1-CD1 3.91Å; V279-I292 HydrophobicContact CG1-CG2 4.05Å; R283-I292 HydrophobicContact CG-CG2 4.44Å; L286-I292 HydrophobicContact CB-CD1 3.67Å; L286-I292 HydrophobicContact CB-CG1 4.44Å; E287-I292 HydrophobicContact CB-CG1 3.83Å; Y290-I292 PolarHBondContact O-N 2.75Å; I292-H294 VanDerWaalsContact C-N 3.3Å; I292-H294 PolarHBondContact O-N 3.47Å; I292-V295 PolarHBondContact O-N 3.19Å; I292-M296 HydrophobicContact CG2-CE 4.07Å; I292-M296 HydrophobicContact CG2-CG 4.31Å; I292-M296 VanDerWaalsContact O-CG 3.29Å; I292-M296 WeakPolarHBondContact O-CG 3.27Å; I292-M296 PolarHBondContact O-N 2.93Å; I292-F308 HydrophobicContact CD1-CE2 4.47Å
293	D	98.2	Very high	97.6	Very high	91 Å²	91	61.7 Å²	61.7	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-69	-32.5	179.2	-65.5	-24.3	0	0	0	111.6	R283 D291 K297	R283-D293 IonicContact CZ-OD1 3.45Å; R283-D293 VanDerWaalsContact CZ-OD1 3.28Å; R283-D293 IonicContact NH1-OD1 3.58Å; R283-D293 PolarHBondContact NH1-OD1 3.25Å; R283-D293 IonicContact NH2-OD1 2.72Å; R283-D293 PolarHBondContact NH2-OD1 3.06Å; D291-D293 PolarHBondContact O-N 3.34Å; D291-D293 PolarHBondContact OD1-N 3.37Å; D293-K297 WeakPolarHBondContact O-CG 3.21Å
294	H	98.2	Very high	97.7	Very high	80 Å²	80	59.5 Å²	59.5	37%	0.37	29%	0.291	S	S	.	.	H	α-helix	trans	-67.9	-41.6	170	-171.7	66.7	0	0	0	112.4	D291 I292 M296 K297 R307	D291-H294 HydrophobicContact CB-CB 4.02Å; D291-H294 VanDerWaalsContact CG-CB 3.44Å; D291-H294 WeakPolarHBondContact O-CB 3.45Å; D291-H294 PolarHBondContact O-N 3.39Å; D291-H294 PolarHBondContact OD1-N 2.8Å; D291-H294 WeakPolarHBondContact OD2-CB 3.44Å; I292-H294 VanDerWaalsContact C-N 3.3Å; I292-H294 PolarHBondContact O-N 3.47Å; H294-M296 VanDerWaalsContact C-N 3.34Å; H294-M296 PolarHBondContact O-N 3.05Å; H294-K297 WeakPolarHBondContact O-CB 3.5Å; H294-K297 PolarHBondContact O-N 2.81Å; H294-K297 VanDerWaalsContact O-N 3.17Å; H294-R307 VanDerWaalsContact NE2-CD 3.35Å; H294-R307 WeakPolarHBondContact NE2-CD 3.24Å; H294-R307 WeakPolarHBondContact NE2-CG 3.3Å; H294-R307 WeakPolarHBondContact O-CD 3.25Å; H294-R307 PolarHBondContact O-NH1 2.95Å
295	V	98.3	Very high	97.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-41.1	176.3	-179.3	0	0	0	0	111.6	Q276 V279 D291 I292 K297 A298 F304 R307 F308	Q276-V295 PolarHBondContact NE2-O 2.64Å; V279-V295 HydrophobicContact CG1-CG1 4.43Å; D291-V295 WeakPolarHBondContact O-CG2 3.32Å; D291-V295 PolarHBondContact O-N 2.59Å; I292-V295 PolarHBondContact O-N 3.19Å; V295-K297 PolarHBondContact O-N 3.1Å; V295-K297 VanDerWaalsContact O-N 3.09Å; V295-A298 WeakPolarHBondContact O-CB 3.46Å; V295-A298 PolarHBondContact O-N 3.43Å; V295-F304 HydrophobicContact CG1-CD2 3.78Å; V295-F304 HydrophobicContact CG1-CE2 3.62Å; V295-R307 HydrophobicContact CG2-CB 4.4Å; V295-F308 HydrophobicContact CB-CB 4.47Å; V295-F308 HydrophobicContact CG1-CB 3.79Å; V295-F308 HydrophobicContact CG1-CD2 4.46Å; V295-F308 HydrophobicContact CG1-CG 4.16Å; V295-F308 HydrophobicContact CG2-CB 3.75Å; V295-F308 HydrophobicContact CG2-CD2 3.84Å; V295-F308 HydrophobicContact CG2-CG 4.15Å
296	M	98.4	Very high	97.9	Very high	49 Å²	49	60.2 Å²	60.2	24%	0.241	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.4	178.7	-66.8	-52.2	99.1	0	0	113.7	Q276 V279 H280 I292 H294 A298	Q276-M296 HydrophobicContact CB-CE 3.97Å; Q276-M296 HydrophobicContact CB-SD 3.83Å; Q276-M296 HydrophobicContact CG-CE 4.02Å; Q276-M296 HydrophobicContact CG-SD 4.17Å; Q276-M296 VanDerWaalsContact NE2-C 3.31Å; Q276-M296 PolarHBondContact NE2-O 2.84Å; V279-M296 HydrophobicContact CB-CE 4.03Å; V279-M296 HydrophobicContact CG1-CE 3.82Å; H280-M296 HydrophobicContact CB-SD 4.13Å; I292-M296 HydrophobicContact CG2-CE 4.07Å; I292-M296 HydrophobicContact CG2-CG 4.31Å; I292-M296 VanDerWaalsContact O-CG 3.29Å; I292-M296 WeakPolarHBondContact O-CG 3.27Å; I292-M296 PolarHBondContact O-N 2.93Å; H294-M296 VanDerWaalsContact C-N 3.34Å; H294-M296 PolarHBondContact O-N 3.05Å; M296-A298 VanDerWaalsContact C-N 3.33Å
297	K	98.3	Very high	98	Very high	137 Å²	137	62.5 Å²	62.5	60%	0.596	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.4	174.5	-66.5	168.7	-173	170.3	0	113.2	D293 H294 V295 R307	D293-K297 WeakPolarHBondContact O-CG 3.21Å; H294-K297 WeakPolarHBondContact O-CB 3.5Å; H294-K297 PolarHBondContact O-N 2.81Å; H294-K297 VanDerWaalsContact O-N 3.17Å; V295-K297 PolarHBondContact O-N 3.1Å; V295-K297 VanDerWaalsContact O-N 3.09Å; K297-R307 VanDerWaalsContact CB-NH1 3.28Å; K297-R307 PolarHBondContact O-NH1 3.44Å
298	A	98.4	Very high	98	Very high	6 Å²	6	57.7 Å²	57.7	5%	0.05	27%	0.272	C	S	.	.			trans	-64.1	135.2	-177.9	0	0	0	0	0	111	T272 Q276 V295 M296 E303 F304 R307	T272-A298 HydrophobicContact CG2-CB 4.21Å; Q276-A298 PolarHBondContact NE2-O 3.39Å; V295-A298 WeakPolarHBondContact O-CB 3.46Å; V295-A298 PolarHBondContact O-N 3.43Å; M296-A298 VanDerWaalsContact C-N 3.33Å; A298-E303 HydrophobicContact CB-CB 3.88Å; A298-F304 HydrophobicContact CB-CB 3.97Å; A298-R307 VanDerWaalsContact N-NH1 3.12Å
299	K	97.4	Very high	98.1	Very high	141 Å²	141	50.1 Å²	50.1	61%	0.613	24%	0.24	S	C	*	.			trans	-110.1	-10	178.4	-63.2	-178.1	-179.7	177.8	0	113.7	E303	K299-E303 PolarHBondContact N-OE2 2.74Å
300	T	98.2	Very high	98.2	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.025	22%	0.218	C	C	.	.	S	Bend	trans	-138.1	162.3	175	71.4	0	0	0	0	110.1	E259 N268 T272 R302 E303 F304	E259-T300 HydrophobicContact CG-CG2 4.39Å; E259-T300 PolarHBondContact OE1-OG1 2.94Å; N268-T300 WeakPolarHBondContact OD1-CA 3.39Å; N268-T300 WeakPolarHBondContact OD1-CB 3.29Å; T272-T300 WeakPolarHBondContact OG1-CA 3.4Å; T300-R302 PolarHBondContact O-N 3.43Å; T300-R302 PolarHBondContact OG1-N 3.04Å; T300-E303 PolarHBondContact O-N 2.96Å; T300-E303 VanDerWaalsContact O-N 3.16Å; T300-E303 PolarHBondContact OG1-N 3.3Å; T300-E303 VanDerWaalsContact OG1-N 3.15Å; T300-F304 PolarHBondContact O-N 2.59Å
301	I	97.9	Very high	98.2	Very high	15 Å²	15	49.1 Å²	49.1	8%	0.077	23%	0.232	C	C	.	.	H	α-helix	trans	-56	-39.5	172.8	-62.7	166.6	0	0	0	109.9	L258 N268 L271 T272 L275 F304 D305	L258-I301 HydrophobicContact CD1-CD1 4.26Å; N268-I301 PolarHBondContact OD1-N 2.97Å; L271-I301 HydrophobicContact CB-CD1 3.94Å; L271-I301 HydrophobicContact CB-CG1 4.28Å; L271-I301 HydrophobicContact CD1-CD1 4.08Å; T272-I301 PolarHBondContact OG1-N 3.4Å; L275-I301 HydrophobicContact CD1-CG1 4.48Å; L275-I301 HydrophobicContact CD1-CG2 4.48Å; I301-F304 WeakPolarHBondContact O-CB 3.26Å; I301-F304 PolarHBondContact O-N 2.97Å; I301-F304 VanDerWaalsContact O-N 3.15Å; I301-D305 PolarHBondContact O-N 2.79Å
302	R	98.3	Very high	98.2	Very high	66 Å²	66	45 Å²	45	25%	0.249	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-47.3	176.1	-172.2	-165.4	-58.6	-102.5	0.5	112.8	T255 E259 T300 F304 D305 E306 Y322	T255-R302 PolarHBondContact OG1-NH2 2.86Å; E259-R302 VanDerWaalsContact OE1-CB 3.26Å; E259-R302 WeakPolarHBondContact OE1-CB 3.41Å; E259-R302 IonicContact OE1-NE 2.94Å; E259-R302 PolarHBondContact OE1-NE 3.39Å; E259-R302 IonicContact OE2-CZ 3.68Å; E259-R302 IonicContact OE2-NE 2.82Å; E259-R302 PolarHBondContact OE2-NE 2.93Å; E259-R302 VanDerWaalsContact OE2-NE 3.12Å; E259-R302 IonicContact OE2-NH2 2.7Å; E259-R302 PolarHBondContact OE2-NH2 2.74Å; T300-R302 PolarHBondContact O-N 3.43Å; T300-R302 PolarHBondContact OG1-N 3.04Å; R302-F304 VanDerWaalsContact C-N 3.27Å; R302-F304 PolarHBondContact O-N 2.88Å; R302-D305 PolarHBondContact O-N 3.27Å; R302-E306 WeakPolarHBondContact O-CB 3.43Å; R302-E306 PolarHBondContact O-N 2.89Å; R302-Y322 WeakPolarHBondContact CA-OH 3.35Å; R302-Y322 WeakPolarHBondContact CB-OH 3.14Å; R302-Y322 HydrophobicContact CG-CE2 4.35Å
303	E	98.4	Very high	98.1	Very high	46 Å²	46	46.4 Å²	46.4	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-34.4	175.6	-70.2	179.8	-154.3	0	0	111.8	A298 K299 T300 R307	A298-E303 HydrophobicContact CB-CB 3.88Å; K299-E303 PolarHBondContact N-OE2 2.74Å; T300-E303 PolarHBondContact O-N 2.96Å; T300-E303 VanDerWaalsContact O-N 3.16Å; T300-E303 PolarHBondContact OG1-N 3.3Å; T300-E303 VanDerWaalsContact OG1-N 3.15Å; E303-R307 VanDerWaalsContact O-CB 3.3Å; E303-R307 WeakPolarHBondContact O-CB 3.44Å; E303-R307 WeakPolarHBondContact O-CD 3.38Å; E303-R307 WeakPolarHBondContact O-CG 3.29Å; E303-R307 PolarHBondContact O-N 2.74Å; E303-R307 VanDerWaalsContact O-N 3.09Å; E303-R307 IonicContact OE2-CZ 3.4Å; E303-R307 IonicContact OE2-NH1 3.35Å; E303-R307 IonicContact OE2-NH2 3.3Å; E303-R307 PolarHBondContact OE2-NH2 3.35Å
304	F	98.6	Very high	98.1	Very high	5 Å²	5	45 Å²	45	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-45.6	175.3	178	-86.1	0	0	0	111.2	L275 Q276 V279 V295 A298 T300 I301 R302 R307 F308	L275-F304 HydrophobicContact CB-CD1 4.16Å; L275-F304 HydrophobicContact CB-CD2 3.94Å; L275-F304 HydrophobicContact CB-CE1 3.96Å; L275-F304 HydrophobicContact CB-CE2 3.72Å; L275-F304 HydrophobicContact CB-CG 4.15Å; L275-F304 HydrophobicContact CB-CZ 3.73Å; L275-F304 HydrophobicContact CD1-CD1 3.8Å; L275-F304 HydrophobicContact CD1-CE1 4.1Å; L275-F304 HydrophobicContact CD1-CG 4.16Å; L275-F304 HydrophobicContact CD2-CE1 4Å; L275-F304 HydrophobicContact CD2-CZ 4.28Å; L275-F304 HydrophobicContact CG-CD1 4.39Å; L275-F304 HydrophobicContact CG-CE1 4.24Å; L275-F304 HydrophobicContact CG-CZ 4.45Å; Q276-F304 HydrophobicContact CG-CD2 4.25Å; V279-F304 HydrophobicContact CG2-CE2 3.81Å; V279-F304 HydrophobicContact CG2-CZ 3.59Å; V295-F304 HydrophobicContact CG1-CD2 3.78Å; V295-F304 HydrophobicContact CG1-CE2 3.62Å; A298-F304 HydrophobicContact CB-CB 3.97Å; T300-F304 PolarHBondContact O-N 2.59Å; I301-F304 WeakPolarHBondContact O-CB 3.26Å; I301-F304 PolarHBondContact O-N 2.97Å; I301-F304 VanDerWaalsContact O-N 3.15Å; R302-F304 VanDerWaalsContact C-N 3.27Å; R302-F304 PolarHBondContact O-N 2.88Å; F304-R307 PolarHBondContact O-N 3.39Å; F304-F308 HydrophobicContact CE1-CB 4.37Å; F304-F308 AromaticContact CE1-CD1 3.87Å; F304-F308 HydrophobicContact CE1-CD1 3.87Å; F304-F308 HydrophobicContact CE2-CB 4.48Å; F304-F308 HydrophobicContact CE2-CD1 4.33Å; F304-F308 HydrophobicContact CZ-CB 4.27Å; F304-F308 AromaticContact CZ-CD1 3.54Å; F304-F308 HydrophobicContact CZ-CD1 3.54Å; F304-F308 HydrophobicContact CZ-CE1 4.28Å; F304-F308 HydrophobicContact CZ-CG 4.21Å; F304-F308 WeakPolarHBondContact O-CB 3.4Å; F304-F308 PolarHBondContact O-N 2.89Å
305	D	98.4	Very high	98.1	Very high	14 Å²	14	43.6 Å²	43.6	8%	0.075	22%	0.215	C	C	.	.	I	π-helix	trans	-65.5	-40.9	179.6	-74	-30.4	0	0	0	111.9	I301 R302 R307 T309 S310 N318 Y321 Y322	I301-D305 PolarHBondContact O-N 2.79Å; R302-D305 PolarHBondContact O-N 3.27Å; D305-R307 PolarHBondContact O-N 3.49Å; D305-T309 PolarHBondContact O-N 3.43Å; D305-T309 VanDerWaalsContact O-N 3.15Å; D305-T309 VanDerWaalsContact OD1-CB 3.26Å; D305-T309 WeakPolarHBondContact OD1-CB 3.41Å; D305-T309 PolarHBondContact OD1-OG1 3.34Å; D305-S310 WeakPolarHBondContact O-CB 3.35Å; D305-S310 PolarHBondContact O-N 2.89Å; D305-S310 PolarHBondContact O-OG 2.72Å; D305-N318 VanDerWaalsContact CB-OD1 3.29Å; D305-N318 WeakPolarHBondContact CB-OD1 3.46Å; D305-Y321 HydrophobicContact CB-CD1 4.17Å; D305-Y321 HydrophobicContact CB-CE1 3.93Å; D305-Y322 HydrophobicContact CB-CE1 3.98Å
306	E	98.3	Very high	98	Very high	109 Å²	109	49 Å²	49	51%	0.509	25%	0.25	S	C	.	.	I	π-helix	trans	-61.1	-43.6	173.9	-175.2	-178.8	-172.4	0	0	112.1	R302 S310 N318	R302-E306 WeakPolarHBondContact O-CB 3.43Å; R302-E306 PolarHBondContact O-N 2.89Å; E306-S310 PolarHBondContact O-OG 3.27Å; E306-N318 HydrophobicContact CB-CB 4.06Å; E306-N318 HydrophobicContact CG-CB 4.32Å; E306-N318 PolarHBondContact N-OD1 2.98Å
307	R	98.4	Very high	98	Very high	49 Å²	49	49.8 Å²	49.8	19%	0.185	26%	0.258	C	S	.	.	I	π-helix	trans	-86.3	-17.7	-174.1	-64.2	178.1	-167.6	165.9	17.8	114.4	H294 V295 K297 A298 E303 F304 D305 I311	H294-R307 VanDerWaalsContact NE2-CD 3.35Å; H294-R307 WeakPolarHBondContact NE2-CD 3.24Å; H294-R307 WeakPolarHBondContact NE2-CG 3.3Å; H294-R307 WeakPolarHBondContact O-CD 3.25Å; H294-R307 PolarHBondContact O-NH1 2.95Å; V295-R307 HydrophobicContact CG2-CB 4.4Å; K297-R307 VanDerWaalsContact CB-NH1 3.28Å; K297-R307 PolarHBondContact O-NH1 3.44Å; A298-R307 VanDerWaalsContact N-NH1 3.12Å; E303-R307 VanDerWaalsContact O-CB 3.3Å; E303-R307 WeakPolarHBondContact O-CB 3.44Å; E303-R307 WeakPolarHBondContact O-CD 3.38Å; E303-R307 WeakPolarHBondContact O-CG 3.29Å; E303-R307 PolarHBondContact O-N 2.74Å; E303-R307 VanDerWaalsContact O-N 3.09Å; E303-R307 IonicContact OE2-CZ 3.4Å; E303-R307 IonicContact OE2-NH1 3.35Å; E303-R307 IonicContact OE2-NH2 3.3Å; E303-R307 PolarHBondContact OE2-NH2 3.35Å; F304-R307 PolarHBondContact O-N 3.39Å; D305-R307 PolarHBondContact O-N 3.49Å; R307-I311 WeakPolarHBondContact O-CD1 3.29Å
308	F	98.3	Very high	98	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	23%	0.233	C	C	.	.	I	π-helix	trans	-133.3	-65.2	-174.7	-171	-114.2	0	0	0	112.6	T189 V279 L286 Y290 I292 V295 F304 S310 I311 M312	T189-F308 HydrophobicContact CG2-CE1 4.11Å; T189-F308 HydrophobicContact CG2-CZ 4.17Å; V279-F308 HydrophobicContact CG1-CE2 4.4Å; V279-F308 HydrophobicContact CG1-CZ 4.4Å; V279-F308 HydrophobicContact CG2-CD1 3.81Å; V279-F308 HydrophobicContact CG2-CE1 3.46Å; V279-F308 VanDerWaalsContact CG2-CE1 3.46Å; V279-F308 HydrophobicContact CG2-CE2 4.45Å; V279-F308 HydrophobicContact CG2-CG 4.43Å; V279-F308 HydrophobicContact CG2-CZ 3.82Å; L286-F308 HydrophobicContact CD1-CZ 4.01Å; L286-F308 HydrophobicContact CD2-CE2 4.49Å; L286-F308 HydrophobicContact CD2-CZ 4.07Å; Y290-F308 AromaticContact CD2-CE2 3.82Å; Y290-F308 HydrophobicContact CD2-CE2 3.82Å; Y290-F308 HydrophobicContact CE2-CE2 4.45Å; Y290-F308 HydrophobicContact CG-CD2 4.42Å; Y290-F308 HydrophobicContact CG-CE2 4.04Å; I292-F308 HydrophobicContact CD1-CE2 4.47Å; V295-F308 HydrophobicContact CB-CB 4.47Å; V295-F308 HydrophobicContact CG1-CB 3.79Å; V295-F308 HydrophobicContact CG1-CD2 4.46Å; V295-F308 HydrophobicContact CG1-CG 4.16Å; V295-F308 HydrophobicContact CG2-CB 3.75Å; V295-F308 HydrophobicContact CG2-CD2 3.84Å; V295-F308 HydrophobicContact CG2-CG 4.15Å; F304-F308 HydrophobicContact CE1-CB 4.37Å; F304-F308 AromaticContact CE1-CD1 3.87Å; F304-F308 HydrophobicContact CE1-CD1 3.87Å; F304-F308 HydrophobicContact CE2-CB 4.48Å; F304-F308 HydrophobicContact CE2-CD1 4.33Å; F304-F308 HydrophobicContact CZ-CB 4.27Å; F304-F308 AromaticContact CZ-CD1 3.54Å; F304-F308 HydrophobicContact CZ-CD1 3.54Å; F304-F308 HydrophobicContact CZ-CE1 4.28Å; F304-F308 HydrophobicContact CZ-CG 4.21Å; F304-F308 WeakPolarHBondContact O-CB 3.4Å; F304-F308 PolarHBondContact O-N 2.89Å; F308-S310 PolarHBondContact O-N 3.44Å; F308-I311 PolarHBondContact O-N 2.86Å; F308-M312 HydrophobicContact CE1-SD 4Å; F308-M312 HydrophobicContact CZ-SD 3.84Å; F308-M312 VanDerWaalsContact O-CB 3.27Å; F308-M312 WeakPolarHBondContact O-CB 3.36Å; F308-M312 PolarHBondContact O-N 3.18Å
309	T	98	Very high	98	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.037	25%	0.251	C	S	.	.	I	π-helix	trans	-59.5	-51.2	-169.7	-52.3	0	0	0	0	112.3	C191 D305 I311 M312 F313 Y321	C191-T309 HydrophobicContact CB-CG2 3.54Å; D305-T309 PolarHBondContact O-N 3.43Å; D305-T309 VanDerWaalsContact O-N 3.15Å; D305-T309 VanDerWaalsContact OD1-CB 3.26Å; D305-T309 WeakPolarHBondContact OD1-CB 3.41Å; D305-T309 PolarHBondContact OD1-OG1 3.34Å; T309-I311 VanDerWaalsContact C-N 3.35Å; T309-I311 PolarHBondContact O-N 3.13Å; T309-M312 PolarHBondContact O-N 3.21Å; T309-F313 HydrophobicContact CG2-CD2 4.09Å; T309-F313 HydrophobicContact CG2-CE2 4.38Å; T309-F313 WeakPolarHBondContact O-CD2 3.34Å; T309-F313 PolarHBondContact O-N 3.02Å; T309-F313 VanDerWaalsContact O-N 3.11Å; T309-Y321 HydrophobicContact CG2-CD1 4.29Å; T309-Y321 HydrophobicContact CG2-CE1 3.72Å; T309-Y321 HydrophobicContact CG2-CE2 3.99Å
310	S	98.1	Very high	98	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-43.5	-179.5	64.8	0	0	0	0	111.6	D305 E306 F308 G314 Y315	D305-S310 WeakPolarHBondContact O-CB 3.35Å; D305-S310 PolarHBondContact O-N 2.89Å; D305-S310 PolarHBondContact O-OG 2.72Å; E306-S310 PolarHBondContact O-OG 3.27Å; F308-S310 PolarHBondContact O-N 3.44Å; S310-G314 PolarHBondContact O-N 2.99Å; S310-G314 VanDerWaalsContact O-N 3.08Å; S310-Y315 PolarHBondContact O-N 3.14Å
311	I	97.9	Very high	98.1	Very high	96 Å²	96	43.6 Å²	43.6	49%	0.492	24%	0.236	S	C	.	.	H	α-helix	trans	-65.5	-48.1	177.9	-56.3	-177.5	0	0	0	111	Y290 R307 F308 T309 F313 G314	Y290-I311 HydrophobicContact CD1-CG2 4.23Å; Y290-I311 HydrophobicContact CE1-CG2 4.3Å; R307-I311 WeakPolarHBondContact O-CD1 3.29Å; F308-I311 PolarHBondContact O-N 2.86Å; T309-I311 VanDerWaalsContact C-N 3.35Å; T309-I311 PolarHBondContact O-N 3.13Å; I311-F313 VanDerWaalsContact C-N 3.27Å; I311-F313 PolarHBondContact O-N 3.46Å; I311-G314 PolarHBondContact O-N 2.96Å
312	M	97.3	Very high	98.1	Very high	18 Å²	18	42.9 Å²	42.9	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-37.3	-177.2	-173.4	-172.3	68.5	0	0	112	T189 Y290 F308 T309	T189-M312 HydrophobicContact CG2-SD 4.15Å; T189-M312 PolarHBondContact N-SD 3.3Å; T189-M312 WeakPolarHBondContact OG1-CE 3.21Å; T189-M312 PolarHBondContact OG1-SD 3.04Å; T189-M312 VanDerWaalsContact OG1-SD 3.39Å; Y290-M312 HydrophobicContact CE1-CB 4.1Å; Y290-M312 HydrophobicContact CE1-CG 4.33Å; Y290-M312 HydrophobicContact CE2-CB 4.44Å; Y290-M312 HydrophobicContact CE2-CG 3.94Å; Y290-M312 VanDerWaalsContact OH-CG 3.32Å; Y290-M312 WeakPolarHBondContact OH-CG 3.49Å; F308-M312 HydrophobicContact CE1-SD 4Å; F308-M312 HydrophobicContact CZ-SD 3.84Å; F308-M312 VanDerWaalsContact O-CB 3.27Å; F308-M312 WeakPolarHBondContact O-CB 3.36Å; F308-M312 PolarHBondContact O-N 3.18Å; T309-M312 PolarHBondContact O-N 3.21Å
313	F	97.3	Very high	98.1	Very high	34 Å²	34	46.6 Å²	46.6	15%	0.149	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	5.5	176.9	-73.5	-75.5	0	0	0	114	C191 N194 T309 I311 Y315	C191-F313 HydrophobicContact CB-CD2 3.84Å; C191-F313 HydrophobicContact CB-CE2 3.39Å; C191-F313 HydrophobicContact CB-CZ 4.09Å; C191-F313 VanDerWaalsContact SG-CD2 3.53Å; C191-F313 WeakPolarHBondContact SG-CE2 3.35Å; N194-F313 HydrophobicContact CB-CD1 4.12Å; N194-F313 HydrophobicContact CB-CE1 3.54Å; N194-F313 HydrophobicContact CB-CZ 3.99Å; T309-F313 HydrophobicContact CG2-CD2 4.09Å; T309-F313 HydrophobicContact CG2-CE2 4.38Å; T309-F313 WeakPolarHBondContact O-CD2 3.34Å; T309-F313 PolarHBondContact O-N 3.02Å; T309-F313 VanDerWaalsContact O-N 3.11Å; I311-F313 VanDerWaalsContact C-N 3.27Å; I311-F313 PolarHBondContact O-N 3.46Å; F313-Y315 HydrophobicContact CB-CD2 3.67Å; F313-Y315 HydrophobicContact CB-CE2 3.49Å; F313-Y315 VanDerWaalsContact CB-CE2 3.49Å; F313-Y315 HydrophobicContact CG-CE2 4.42Å; F313-Y315 PolarHBondContact O-N 3.33Å
314	G	97.3	Very high	98.1	Very high	62 Å²	62	46.5 Å²	46.5	64%	0.639	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	25.9	173.1	0	0	0	0	0	114.9	S310 I311	S310-G314 PolarHBondContact O-N 2.99Å; S310-G314 VanDerWaalsContact O-N 3.08Å; I311-G314 PolarHBondContact O-N 2.96Å
315	Y	98.4	Very high	98.1	Very high	49 Å²	49	46.2 Å²	46.2	19%	0.192	25%	0.246	C	C	.	.			trans	-74.1	138.8	173.6	-69.6	-84.1	0	0	0	110.6	A193 S310 F313 T317 D320 Y321 D324	A193-Y315 WeakPolarHBondContact CB-OH 3.42Å; S310-Y315 PolarHBondContact O-N 3.14Å; F313-Y315 HydrophobicContact CB-CD2 3.67Å; F313-Y315 HydrophobicContact CB-CE2 3.49Å; F313-Y315 VanDerWaalsContact CB-CE2 3.49Å; F313-Y315 HydrophobicContact CG-CE2 4.42Å; F313-Y315 PolarHBondContact O-N 3.33Å; Y315-T317 VanDerWaalsContact C-N 3.3Å; Y315-T317 PolarHBondContact O-N 3.4Å; Y315-D320 HydrophobicContact CD1-CB 4.18Å; Y315-Y321 HydrophobicContact CD2-CD2 4.02Å; Y315-Y321 HydrophobicContact CD2-CG 4.19Å; Y315-Y321 AromaticContact CE2-CD2 3.6Å; Y315-Y321 HydrophobicContact CE2-CD2 3.6Å; Y315-Y321 HydrophobicContact CE2-CG 4.23Å; Y315-D324 HydrophobicContact CE1-CB 3.86Å; Y315-D324 PolarHBondContact OH-OD2 3.32Å
316	P	97.4	Very high	98.1	Very high	114 Å²	114	45.6 Å²	45.6	74%	0.74	24%	0.243	S	C	*	.	S	Bend	trans	-63	-36.8	177.8	-21.9	32.6	0	0	0	113.1
317	T	97.9	Very high	98.1	Very high	66 Å²	66	40.4 Å²	40.4	41%	0.405	22%	0.218	S	C	.	.	S	Bend	trans	-139.6	161.3	176.9	69.9	0	0	0	0	110.8	Y315 D319 D320 Y321	Y315-T317 VanDerWaalsContact C-N 3.3Å; Y315-T317 PolarHBondContact O-N 3.4Å; T317-D319 PolarHBondContact O-N 3.04Å; T317-D319 PolarHBondContact OG1-N 3.42Å; T317-D320 WeakPolarHBondContact CB-OD2 3.43Å; T317-D320 PolarHBondContact N-OD2 3.39Å; T317-D320 PolarHBondContact O-N 2.79Å; T317-D320 PolarHBondContact OG1-N 3.2Å; T317-D320 VanDerWaalsContact OG1-N 3.1Å; T317-D320 PolarHBondContact OG1-OD2 2.87Å; T317-Y321 PolarHBondContact O-N 3.32Å
318	N	97.8	Very high	98.1	Very high	13 Å²	13	39.3 Å²	39.3	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-31	171.6	-169.5	55.9	0	0	0	112.4	D305 E306 D320 Y321 Y322	D305-N318 VanDerWaalsContact CB-OD1 3.29Å; D305-N318 WeakPolarHBondContact CB-OD1 3.46Å; E306-N318 HydrophobicContact CB-CB 4.06Å; E306-N318 HydrophobicContact CG-CB 4.32Å; E306-N318 PolarHBondContact N-OD1 2.98Å; N318-D320 VanDerWaalsContact C-N 3.35Å; N318-Y321 WeakPolarHBondContact O-CB 3Å; N318-Y321 PolarHBondContact O-N 3.45Å; N318-Y322 VanDerWaalsContact ND2-CE1 3.3Å; N318-Y322 WeakPolarHBondContact ND2-CE1 3.46Å; N318-Y322 VanDerWaalsContact ND2-CZ 3.28Å; N318-Y322 WeakPolarHBondContact O-CD1 3.38Å; N318-Y322 PolarHBondContact O-N 2.91Å
319	D	98.4	Very high	98	Very high	80 Å²	80	44.4 Å²	44.4	43%	0.428	24%	0.241	S	C	.	.	H	α-helix	trans	-68.1	-35.5	177.2	-72.6	4.1	0	0	0	111.6	F252 T317 Y321 Y322 R323	F252-D319 HydrophobicContact CE1-CB 4.04Å; F252-D319 HydrophobicContact CZ-CB 4.08Å; F252-D319 WeakPolarHBondContact CZ-O 3.47Å; T317-D319 PolarHBondContact O-N 3.04Å; T317-D319 PolarHBondContact OG1-N 3.42Å; D319-Y321 VanDerWaalsContact C-N 3.35Å; D319-Y322 PolarHBondContact O-N 3.36Å; D319-R323 WeakPolarHBondContact O-CB 3.44Å; D319-R323 PolarHBondContact O-N 3.41Å
320	D	98.4	Very high	97.9	Very high	54 Å²	54	45.5 Å²	45.5	29%	0.289	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-42	172.4	-63.9	-55.6	0	0	0	111	Y315 T317 N318 R323 D324	Y315-D320 HydrophobicContact CD1-CB 4.18Å; T317-D320 WeakPolarHBondContact CB-OD2 3.43Å; T317-D320 PolarHBondContact N-OD2 3.39Å; T317-D320 PolarHBondContact O-N 2.79Å; T317-D320 PolarHBondContact OG1-N 3.2Å; T317-D320 VanDerWaalsContact OG1-N 3.1Å; T317-D320 PolarHBondContact OG1-OD2 2.87Å; N318-D320 VanDerWaalsContact C-N 3.35Å; D320-R323 PolarHBondContact O-N 2.96Å; D320-D324 PolarHBondContact O-N 3.47Å; D320-D324 VanDerWaalsContact O-N 3.1Å
321	Y	98.6	Very high	97.9	Very high	12 Å²	12	45.2 Å²	45.2	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-49.2	172.2	166.1	-124.3	0	0	0	111.2	C191 A193 D305 T309 Y315 T317 N318 D319 R323 D324 A325	C191-Y321 HydrophobicContact CB-CE2 3.8Å; A193-Y321 HydrophobicContact CB-CD2 4.29Å; A193-Y321 HydrophobicContact CB-CE2 4.02Å; D305-Y321 HydrophobicContact CB-CD1 4.17Å; D305-Y321 HydrophobicContact CB-CE1 3.93Å; T309-Y321 HydrophobicContact CG2-CD1 4.29Å; T309-Y321 HydrophobicContact CG2-CE1 3.72Å; T309-Y321 HydrophobicContact CG2-CE2 3.99Å; Y315-Y321 HydrophobicContact CD2-CD2 4.02Å; Y315-Y321 HydrophobicContact CD2-CG 4.19Å; Y315-Y321 AromaticContact CE2-CD2 3.6Å; Y315-Y321 HydrophobicContact CE2-CD2 3.6Å; Y315-Y321 HydrophobicContact CE2-CG 4.23Å; T317-Y321 PolarHBondContact O-N 3.32Å; N318-Y321 WeakPolarHBondContact O-CB 3Å; N318-Y321 PolarHBondContact O-N 3.45Å; D319-Y321 VanDerWaalsContact C-N 3.35Å; Y321-R323 VanDerWaalsContact C-N 3.32Å; Y321-R323 PolarHBondContact O-N 2.9Å; Y321-D324 CarbonylContact O-C 3.56Å; Y321-D324 PolarHBondContact O-N 3.32Å; Y321-D324 VanDerWaalsContact O-N 3.16Å; Y321-A325 HydrophobicContact CD2-CB 4.27Å; Y321-A325 HydrophobicContact CE2-CB 3.81Å; Y321-A325 VanDerWaalsContact O-CB 3.3Å; Y321-A325 WeakPolarHBondContact O-CB 3.28Å; Y321-A325 PolarHBondContact O-N 2.83Å
322	Y	98.5	Very high	97.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-41.1	-178.4	-81.7	17.7	0	0	0	112	V251 F252 T255 R302 D305 N318 D319 D324 A325 S326	V251-Y322 HydrophobicContact CB-CD2 4.36Å; V251-Y322 HydrophobicContact CB-CG 4.14Å; V251-Y322 HydrophobicContact CG1-CD1 3.62Å; V251-Y322 HydrophobicContact CG1-CD2 3.77Å; V251-Y322 HydrophobicContact CG1-CE1 3.78Å; V251-Y322 HydrophobicContact CG1-CE2 3.93Å; V251-Y322 HydrophobicContact CG1-CG 3.6Å; F252-Y322 AromaticContact CD1-CD2 3.83Å; F252-Y322 HydrophobicContact CD1-CD2 3.83Å; F252-Y322 AromaticContact CE1-CD2 3.94Å; F252-Y322 HydrophobicContact CE1-CD2 3.94Å; F252-Y322 HydrophobicContact CE1-CG 4.37Å; F252-Y322 HydrophobicContact CG-CD2 4.19Å; F252-Y322 VanDerWaalsContact CZ-CB 3.44Å; F252-Y322 HydrophobicContact CZ-CD2 4.41Å; F252-Y322 HydrophobicContact CZ-CG 4.43Å; T255-Y322 HydrophobicContact CG2-CE2 3.83Å; T255-Y322 WeakPolarHBondContact CG2-OH 3.33Å; T255-Y322 WeakPolarHBondContact OG1-CE2 3.27Å; R302-Y322 WeakPolarHBondContact CA-OH 3.35Å; R302-Y322 WeakPolarHBondContact CB-OH 3.14Å; R302-Y322 HydrophobicContact CG-CE2 4.35Å; D305-Y322 HydrophobicContact CB-CE1 3.98Å; N318-Y322 VanDerWaalsContact ND2-CE1 3.3Å; N318-Y322 WeakPolarHBondContact ND2-CE1 3.46Å; N318-Y322 VanDerWaalsContact ND2-CZ 3.28Å; N318-Y322 WeakPolarHBondContact O-CD1 3.38Å; N318-Y322 PolarHBondContact O-N 2.91Å; D319-Y322 PolarHBondContact O-N 3.36Å; Y322-D324 PolarHBondContact O-N 3.46Å; Y322-A325 PolarHBondContact O-N 3.42Å; Y322-S326 WeakPolarHBondContact O-CB 3.48Å; Y322-S326 PolarHBondContact O-N 3.19Å; Y322-S326 PolarHBondContact O-OG 2.94Å
323	R	98.4	Very high	97.8	Very high	143 Å²	143	49 Å²	49	54%	0.54	26%	0.263	S	S	.	.	H	α-helix	trans	-63	-40.2	175.9	-168.5	177.3	-58.9	152.5	9.2	112.3	F252 D319 D320 Y321 H329	F252-R323 HydrophobicContact CE2-CB 4.33Å; D319-R323 WeakPolarHBondContact O-CB 3.44Å; D319-R323 PolarHBondContact O-N 3.41Å; D320-R323 PolarHBondContact O-N 2.96Å; Y321-R323 VanDerWaalsContact C-N 3.32Å; Y321-R323 PolarHBondContact O-N 2.9Å; R323-H329 PolarHBondContact O-CD2 3.11Å
324	D	98.4	Very high	97.8	Very high	44 Å²	44	47.4 Å²	47.4	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-76.3	-27.2	174.4	-171.1	29.3	0	0	0	112.7	A193 R232 Y315 D320 Y321 Y322 K330	A193-D324 HydrophobicContact CB-CB 4.33Å; R232-D324 IonicContact NH2-OD1 3.26Å; R232-D324 PolarHBondContact NH2-OD1 3.31Å; R232-D324 VanDerWaalsContact NH2-OD1 3.11Å; R232-D324 IonicContact NH2-OD2 2.93Å; R232-D324 PolarHBondContact NH2-OD2 2.99Å; R232-D324 VanDerWaalsContact NH2-OD2 3.11Å; Y315-D324 HydrophobicContact CE1-CB 3.86Å; Y315-D324 PolarHBondContact OH-OD2 3.32Å; D320-D324 PolarHBondContact O-N 3.47Å; D320-D324 VanDerWaalsContact O-N 3.1Å; Y321-D324 CarbonylContact O-C 3.56Å; Y321-D324 PolarHBondContact O-N 3.32Å; Y321-D324 VanDerWaalsContact O-N 3.16Å; Y322-D324 PolarHBondContact O-N 3.46Å; D324-K330 PolarHBondContact O-NZ 2.87Å; D324-K330 VanDerWaalsContact OD1-CE 3.28Å; D324-K330 WeakPolarHBondContact OD1-CE 3.32Å; D324-K330 IonicContact OD1-NZ 3.01Å; D324-K330 PolarHBondContact OD1-NZ 3.09Å
325	A	98.3	Very high	97.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-74	-33.4	176.7	0	0	0	0	0	112.5	A192 A193 N228 V251 Y321 Y322 P327	A192-A325 HydrophobicContact CB-CB 4.19Å; A193-A325 HydrophobicContact CB-CB 4.1Å; N228-A325 PolarHBondContact ND2-O 2.96Å; V251-A325 HydrophobicContact CG2-CB 3.74Å; Y321-A325 HydrophobicContact CD2-CB 4.27Å; Y321-A325 HydrophobicContact CE2-CB 3.81Å; Y321-A325 VanDerWaalsContact O-CB 3.3Å; Y321-A325 WeakPolarHBondContact O-CB 3.28Å; Y321-A325 PolarHBondContact O-N 2.83Å; Y322-A325 PolarHBondContact O-N 3.42Å; A325-P327 WeakPolarHBondContact O-CD 3.48Å
326	S	98.6	Very high	97.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.			trans	-61.4	107.1	-179.9	-73.5	0	0	0	0	112.8	D250 V251 Y322 V328	D250-S326 WeakPolarHBondContact CA-OG 3.03Å; V251-S326 PolarHBondContact N-OG 3.15Å; Y322-S326 WeakPolarHBondContact O-CB 3.48Å; Y322-S326 PolarHBondContact O-N 3.19Å; Y322-S326 PolarHBondContact O-OG 2.94Å; S326-V328 PolarHBondContact O-N 2.91Å
327	P	98.1	Very high	97.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-67.4	-22.9	-176.1	-20.7	33.7	0	0	0	113.9	M224 A227 G248 W249 A325 H329 K330 L331	M224-P327 HydrophobicContact CB-CG 3.76Å; M224-P327 HydrophobicContact CG-CG 3.96Å; A227-P327 HydrophobicContact CB-CB 3.67Å; A227-P327 HydrophobicContact CB-CG 4.34Å; G248-P327 VanDerWaalsContact O-CD 3.3Å; G248-P327 WeakPolarHBondContact O-CD 3.3Å; W249-P327 HydrophobicContact CE3-CB 4.16Å; W249-P327 HydrophobicContact CZ3-CB 4.38Å; W249-P327 VanDerWaalsContact O-CD 3.26Å; W249-P327 WeakPolarHBondContact O-CD 3.5Å; A325-P327 WeakPolarHBondContact O-CD 3.48Å; P327-H329 PolarHBondContact O-N 2.87Å; P327-K330 PolarHBondContact O-N 2.71Å; P327-L331 PolarHBondContact O-N 3.36Å
328	V	97.9	Very high	97.6	Very high	26 Å²	26	37.9 Å²	37.9	16%	0.158	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-51.9	-33.1	-179.2	65.3	0	0	0	0	112.9	W249 D250 S326 K330 P355 V358	W249-V328 WeakPolarHBondContact O-CB 3.22Å; W249-V328 VanDerWaalsContact O-CG1 3.31Å; W249-V328 WeakPolarHBondContact O-CG1 3.42Å; W249-V328 PolarHBondContact O-N 3.37Å; W249-V328 VanDerWaalsContact O-N 3.11Å; D250-V328 HydrophobicContact CB-CG1 4.48Å; S326-V328 PolarHBondContact O-N 2.91Å; V328-K330 VanDerWaalsContact C-N 3.29Å; V328-K330 PolarHBondContact O-N 3.46Å; V328-P355 HydrophobicContact CB-CB 4.45Å; V328-P355 HydrophobicContact CG2-CB 3.77Å; V328-V358 HydrophobicContact CG2-CG2 4.12Å
329	H	97	Very high	97.7	Very high	110 Å²	110	37.3 Å²	37.3	51%	0.509	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-74.7	-16.3	-179.8	-54.8	-53.3	0	0	0	113.9	R323 P327	R323-H329 PolarHBondContact O-CD2 3.11Å; P327-H329 PolarHBondContact O-N 2.87Å
330	K	96.8	Very high	97.7	Very high	28 Å²	28	33.5 Å²	33.5	12%	0.122	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-10.3	-175.2	-55.1	-169.1	-175	66.1	0	113.8	N228 D324 P327 V328 K332 S333	N228-K330 HydrophobicContact CB-CD 4.41Å; N228-K330 VanDerWaalsContact OD1-CD 3.31Å; N228-K330 WeakPolarHBondContact OD1-CD 3.08Å; N228-K330 PolarHBondContact OD1-NZ 3.09Å; D324-K330 PolarHBondContact O-NZ 2.87Å; D324-K330 VanDerWaalsContact OD1-CE 3.28Å; D324-K330 WeakPolarHBondContact OD1-CE 3.32Å; D324-K330 IonicContact OD1-NZ 3.01Å; D324-K330 PolarHBondContact OD1-NZ 3.09Å; P327-K330 PolarHBondContact O-N 2.71Å; V328-K330 VanDerWaalsContact C-N 3.29Å; V328-K330 PolarHBondContact O-N 3.46Å; K330-K332 PolarHBondContact O-N 3.14Å; K330-S333 WeakPolarHBondContact O-CB 3.2Å; K330-S333 PolarHBondContact O-N 3.24Å
331	L	97.2	Very high	97.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-58.8	-30.4	-177.2	-75.5	-176.4	0	0	0	114.4	A227 W249 P327 S333 V334 M338 P355 V358 N362 L365	A227-L331 HydrophobicContact CB-CD2 4.41Å; W249-L331 HydrophobicContact CE3-CD1 4.06Å; W249-L331 HydrophobicContact CZ3-CD1 4Å; W249-L331 HydrophobicContact CZ3-CD2 3.97Å; W249-L331 HydrophobicContact CZ3-CG 4.42Å; P327-L331 PolarHBondContact O-N 3.36Å; L331-S333 PolarHBondContact O-N 2.92Å; L331-V334 HydrophobicContact CD2-CG2 4.26Å; L331-V334 WeakPolarHBondContact O-CB 3.42Å; L331-V334 PolarHBondContact O-N 3.15Å; L331-M338 HydrophobicContact CD2-CE 3.67Å; L331-P355 HydrophobicContact CD1-CB 3.85Å; L331-P355 HydrophobicContact CD1-CG 3.61Å; L331-V358 HydrophobicContact CB-CG1 3.62Å; L331-V358 HydrophobicContact CD1-CG1 4.42Å; L331-N362 PolarHBondContact O-ND2 2.85Å; L331-L365 HydrophobicContact CB-CD1 3.88Å; L331-L365 HydrophobicContact CD1-CD1 4.44Å; L331-L365 HydrophobicContact CD2-CD1 4.15Å; L331-L365 HydrophobicContact CG-CD1 4.38Å
332	K	96.4	Very high	97.7	Very high	131 Å²	131	30.3 Å²	30.3	57%	0.57	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-61.5	-26.8	175.9	-66.9	-173.7	176.3	-176.3	0	113	K330 V358	K330-K332 PolarHBondContact O-N 3.14Å; K332-V358 HydrophobicContact CG-CG1 3.85Å
333	S	96.6	Very high	97.7	Very high	62 Å²	62	30.3 Å²	30.3	43%	0.434	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-90.1	-2.8	-178	-57.5	0	0	0	0	113.6	G231 K330 L331 Q335	G231-S333 WeakPolarHBondContact O-CB 3.3Å; K330-S333 WeakPolarHBondContact O-CB 3.2Å; K330-S333 PolarHBondContact O-N 3.24Å; L331-S333 PolarHBondContact O-N 2.92Å; S333-Q335 WeakPolarHBondContact O-CG 3.46Å; S333-Q335 PolarHBondContact O-N 3.04Å
334	V	97.1	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.			trans	-68.3	129.8	176.6	176.1	0	0	0	0	109.7	L230 L331 V336 M338 N362 N364 L365	L230-V334 HydrophobicContact CB-CG1 4.27Å; L230-V334 HydrophobicContact CB-CG2 3.91Å; L230-V334 HydrophobicContact CD1-CG1 4.03Å; L331-V334 HydrophobicContact CD2-CG2 4.26Å; L331-V334 WeakPolarHBondContact O-CB 3.42Å; L331-V334 PolarHBondContact O-N 3.15Å; V334-V336 WeakPolarHBondContact CG1-O 3.24Å; V334-M338 HydrophobicContact CG1-CB 4.31Å; V334-M338 HydrophobicContact CG1-SD 4.5Å; V334-N362 PolarHBondContact O-ND2 3.4Å; V334-N362 PolarHBondContact O-OD1 2.92Å; V334-N364 PolarHBondContact O-ND2 3.36Å; V334-L365 HydrophobicContact CB-CD2 3.93Å; V334-L365 HydrophobicContact CG1-CD2 3.68Å; V334-L365 HydrophobicContact CG2-CD2 4.36Å
335	Q	95.8	Very high	97.6	Very high	66 Å²	66	24.9 Å²	24.9	31%	0.308	13%	0.132	S	C	.	.			trans	-126.2	11.1	-172.6	-67	-73.2	-48.3	0	0	113.5	R235 S333	R235-Q335 HydrophobicContact CB-CB 4.49Å; R235-Q335 HydrophobicContact CG-CB 3.52Å; R235-Q335 HydrophobicContact CG-CG 3.92Å; S333-Q335 WeakPolarHBondContact O-CG 3.46Å; S333-Q335 PolarHBondContact O-N 3.04Å
336	V	95.6	Very high	97.6	Very high	17 Å²	17	25 Å²	25	10%	0.103	13%	0.133	C	C	.	.	S	Bend	trans	-129.1	153.5	175.3	-62.1	0	0	0	0	109.7	L230 T237 V334 M338 N364	L230-V336 HydrophobicContact CD1-CG2 3.92Å; L230-V336 HydrophobicContact CD2-CG2 3.55Å; L230-V336 HydrophobicContact CG-CG2 4.35Å; T237-V336 HydrophobicContact CG2-CB 4.47Å; T237-V336 HydrophobicContact CG2-CG1 3.51Å; T237-V336 HydrophobicContact CG2-CG2 4.15Å; V334-V336 WeakPolarHBondContact CG1-O 3.24Å; V336-M338 PolarHBondContact O-N 2.76Å; V336-N364 WeakPolarHBondContact O-CB 3.48Å
337	P	97.5	Very high	97.5	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.058	14%	0.136	C	C	.	.			trans	-55.8	121.1	-178.2	-23	32.3	0	0	0	111.6	F65 G241 V242 N364 L408 L411	F65-P337 HydrophobicContact CE1-CB 4.45Å; F65-P337 HydrophobicContact CE2-CB 3.95Å; F65-P337 HydrophobicContact CZ-CB 3.89Å; G241-P337 CarbonylContact C-O 3.59Å; G241-P337 WeakPolarHBondContact CA-O 3.33Å; V242-P337 PolarHBondContact N-O 2.88Å; P337-N364 CarbonylContact C-O 3.55Å; P337-N364 WeakPolarHBondContact CA-O 3.43Å; P337-L408 HydrophobicContact CB-CD1 3.81Å; P337-L408 HydrophobicContact CG-CB 3.69Å; P337-L408 HydrophobicContact CG-CD1 3.62Å; P337-L408 HydrophobicContact CG-CG 4.17Å; P337-L411 HydrophobicContact CB-CD1 4.39Å; P337-L411 HydrophobicContact CG-CD1 3.93Å
338	M	98.4	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.9	179.1	-177.6	177	123.3	0	0	110.8	A227 L230 V242 V244 W249 L331 V334 V336 C340 N364 L365 A366	A227-M338 HydrophobicContact CB-CE 4.2Å; L230-M338 HydrophobicContact CD1-CB 4.45Å; L230-M338 HydrophobicContact CD1-CG 4.45Å; L230-M338 HydrophobicContact CD1-SD 3.78Å; V242-M338 HydrophobicContact CB-CG 4.27Å; V242-M338 HydrophobicContact CG1-CG 4.22Å; V242-M338 CarbonylContact O-C 3.57Å; V242-M338 WeakPolarHBondContact O-CA 3.47Å; V244-M338 HydrophobicContact CG2-CE 4.08Å; W249-M338 HydrophobicContact CH2-CE 3.73Å; W249-M338 HydrophobicContact CZ3-CE 4.03Å; L331-M338 HydrophobicContact CD2-CE 3.67Å; V334-M338 HydrophobicContact CG1-CB 4.31Å; V334-M338 HydrophobicContact CG1-SD 4.5Å; V336-M338 PolarHBondContact O-N 2.76Å; M338-C340 WeakPolarHBondContact CE-SG 3.21Å; M338-N364 PolarHBondContact N-O 3.09Å; M338-L365 HydrophobicContact CB-CD2 3.72Å; M338-L365 HydrophobicContact CE-CD2 4.28Å; M338-L365 HydrophobicContact CG-CD2 4.29Å; M338-L365 HydrophobicContact SD-CD2 4.2Å; M338-A366 PolarHBondContact O-N 3.46Å
339	L	98.8	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.3	173.2	178.8	60	0	0	0	110	L69 V242 I243 V244 A366 L368 V393 F397	L69-L339 HydrophobicContact CD1-CD1 4.02Å; L69-L339 HydrophobicContact CD2-CD2 4.07Å; V242-L339 PolarHBondContact O-N 3.12Å; I243-L339 CarbonylContact C-O 3.55Å; I243-L339 VanDerWaalsContact CA-O 3.27Å; I243-L339 WeakPolarHBondContact CA-O 3.49Å; I243-L339 HydrophobicContact CD1-CD2 4.01Å; I243-L339 HydrophobicContact CD1-CG 4.35Å; I243-L339 HydrophobicContact CG1-CB 4.33Å; I243-L339 HydrophobicContact CG1-CG 4.47Å; V244-L339 PolarHBondContact N-O 3.18Å; L339-A366 CarbonylContact C-O 3.52Å; L339-A366 HydrophobicContact CD1-CB 3.92Å; L339-L368 HydrophobicContact CD1-CB 4.34Å; L339-V393 HydrophobicContact CD2-CG1 3.91Å; L339-F397 HydrophobicContact CB-CD2 3.91Å; L339-F397 HydrophobicContact CB-CE1 4.27Å; L339-F397 HydrophobicContact CB-CE2 3.66Å; L339-F397 HydrophobicContact CB-CG 4.31Å; L339-F397 HydrophobicContact CB-CZ 3.84Å; L339-F397 HydrophobicContact CD2-CB 4.15Å; L339-F397 HydrophobicContact CD2-CD2 3.7Å; L339-F397 HydrophobicContact CD2-CE2 4.29Å; L339-F397 HydrophobicContact CD2-CG 3.97Å; L339-F397 HydrophobicContact CG-CD2 4.47Å
340	C	98.7	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.6	179.9	-49.2	0	0	0	0	109.5	V244 W249 M338 A366 L367 L368	V244-C340 HydrophobicContact CG2-CB 3.88Å; V244-C340 CarbonylContact O-C 3.48Å; V244-C340 WeakPolarHBondContact O-CA 3.46Å; W249-C340 HydrophobicContact CH2-CB 4.08Å; W249-C340 VanDerWaalsContact CH2-SG 3.58Å; W249-C340 HydrophobicContact CZ2-CB 3.77Å; M338-C340 WeakPolarHBondContact CE-SG 3.21Å; C340-A366 WeakPolarHBondContact CB-O 3.46Å; C340-A366 PolarHBondContact N-O 2.87Å; C340-A366 PolarHBondContact SG-O 3.04Å; C340-L367 HydrophobicContact CB-CD1 3.66Å; C340-L367 CarbonylContact O-C 3.6Å; C340-L367 WeakPolarHBondContact O-CA 3.29Å; C340-L368 PolarHBondContact O-N 3.04Å
341	L	98.8	Very high	97.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.8	170.5	173.4	57.8	0	0	0	109.4	V244 F245 S246 L368 T370 F378 Y389 M390 V393	V244-L341 PolarHBondContact O-N 3.32Å; F245-L341 HydrophobicContact CD1-CB 3.77Å; F245-L341 HydrophobicContact CD1-CD2 3.75Å; F245-L341 HydrophobicContact CD1-CG 4.17Å; F245-L341 HydrophobicContact CE1-CB 4.13Å; F245-L341 HydrophobicContact CE1-CD2 3.84Å; S246-L341 PolarHBondContact N-O 2.8Å; L341-L368 WeakPolarHBondContact CA-O 3.26Å; L341-L368 HydrophobicContact CD1-CB 4.2Å; L341-L368 HydrophobicContact CD1-CD2 4.09Å; L341-L368 HydrophobicContact CD1-CG 4.1Å; L341-L368 WeakPolarHBondContact CD1-O 3.34Å; L341-T370 HydrophobicContact CD1-CG2 4.04Å; L341-F378 HydrophobicContact CD1-CE1 3.88Å; L341-F378 HydrophobicContact CD1-CZ 4.36Å; L341-F378 HydrophobicContact CD2-CD1 4.07Å; L341-F378 HydrophobicContact CD2-CE1 3.88Å; L341-F378 HydrophobicContact CD2-CE2 4.47Å; L341-F378 HydrophobicContact CD2-CG 4.46Å; L341-F378 HydrophobicContact CD2-CZ 4.1Å; L341-F378 HydrophobicContact CG-CD1 4.43Å; L341-F378 HydrophobicContact CG-CE1 3.75Å; L341-F378 HydrophobicContact CG-CZ 3.81Å; L341-Y389 HydrophobicContact CD1-CE1 4.33Å; L341-Y389 HydrophobicContact CD2-CD1 4.23Å; L341-Y389 HydrophobicContact CD2-CE1 4.36Å; L341-M390 HydrophobicContact CD2-CB 4.4Å; L341-V393 HydrophobicContact CD2-CB 4.48Å; L341-V393 HydrophobicContact CD2-CG2 4.23Å
342	N	98.4	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.1	172.1	-74.3	88.6	0	0	0	109.9	A247 W249 S349 I354 L368 I369 T370	A247-N342 PolarHBondContact O-ND2 2.98Å; W249-N342 PolarHBondContact NE1-ND2 3.31Å; W249-N342 PolarHBondContact NE1-OD1 3.38Å; N342-S349 PolarHBondContact ND2-OG 3.24Å; N342-I354 HydrophobicContact CB-CD1 3.94Å; N342-L368 PolarHBondContact N-O 2.85Å; N342-I369 VanDerWaalsContact O-CA 3.31Å; N342-I369 WeakPolarHBondContact O-CA 3.46Å; N342-T370 PolarHBondContact O-N 3.41Å
343	A	98.3	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.6	168.8	0	0	0	0	0	110.3	D345 D346 T370 F378	A343-D345 WeakPolarHBondContact CB-OD1 3.49Å; A343-D345 PolarHBondContact O-N 3.31Å; A343-D346 HydrophobicContact CB-CB 4.39Å; A343-D346 WeakPolarHBondContact O-CB 3.2Å; A343-D346 PolarHBondContact O-N 2.93Å; A343-T370 WeakPolarHBondContact CA-OG1 3.25Å; A343-F378 HydrophobicContact CB-CE1 4.07Å; A343-F378 HydrophobicContact CB-CZ 4.23Å
344	A	97.9	Very high	97.5	Very high	40 Å²	40	20.6 Å²	20.6	33%	0.331	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.4	178.1	0	0	0	0	0	112.9	S351 I369 T370	A344-S351 WeakPolarHBondContact O-CB 3.36Å; A344-I369 HydrophobicContact CB-CG2 4.14Å; A344-T370 WeakPolarHBondContact CB-O 3.35Å; A344-T370 PolarHBondContact N-O 3.01Å
345	D	97.2	Very high	97.5	Very high	33 Å²	33	21 Å²	21	18%	0.176	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.5	176.5	70.4	-13.9	0	0	0	113.8	S89 A343 V347 H372 G373 G374	S89-D345 WeakPolarHBondContact CB-O 3.45Å; S89-D345 PolarHBondContact N-OD2 2.73Å; S89-D345 PolarHBondContact OG-O 2.69Å; A343-D345 WeakPolarHBondContact CB-OD1 3.49Å; A343-D345 PolarHBondContact O-N 3.31Å; D345-V347 PolarHBondContact O-N 2.67Å; D345-H372 WeakPolarHBondContact OD1-CA 3.36Å; D345-H372 WeakPolarHBondContact OD2-CA 3.39Å; D345-H372 IonicContact OD2-CG 3.81Å; D345-H372 IonicContact OD2-ND1 2.69Å; D345-H372 PolarHBondContact OD2-ND1 3.06Å; D345-G373 PolarHBondContact OD1-N 3.31Å; D345-G373 VanDerWaalsContact OD1-N 3.11Å; D345-G374 PolarHBondContact OD1-N 3.16Å
346	D	97.9	Very high	97.6	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	12%	0.115	C	C	.	.			trans	-64.9	120	179.4	-173.8	-1.5	0	0	0	112.1	A343 F348 S349 P350 H375	A343-D346 HydrophobicContact CB-CB 4.39Å; A343-D346 WeakPolarHBondContact O-CB 3.2Å; A343-D346 PolarHBondContact O-N 2.93Å; D346-F348 VanDerWaalsContact C-N 3.34Å; D346-F348 WeakPolarHBondContact OD1-CB 3.41Å; D346-F348 PolarHBondContact OD1-N 3.41Å; D346-S349 CarbonylContact O-C 3.16Å; D346-S349 PolarHBondContact OD1-N 2.86Å; D346-P350 WeakPolarHBondContact O-CA 3.33Å; D346-H375 WeakPolarHBondContact OD1-CA 3.45Å; D346-H375 WeakPolarHBondContact OD1-CB 3.18Å; D346-H375 IonicContact OD1-CG 2.76Å; D346-H375 IonicContact OD1-ND1 3.59Å; D346-H375 PolarHBondContact OD1-ND1 3.04Å; D346-H375 IonicContact OD2-CE1 3.59Å; D346-H375 IonicContact OD2-CG 3.66Å; D346-H375 IonicContact OD2-ND1 3.83Å; D346-H375 PolarHBondContact OD2-ND1 2.73Å
347	V	96.9	Very high	97.7	Very high	12 Å²	12	24 Å²	24	7%	0.073	14%	0.135	C	C	.	.	S	Bend	trans	-77.9	-18.9	179.4	-59.3	0	0	0	0	113.4	R90 S257 L258 F267 D345	R90-V347 HydrophobicContact CG-CG1 4.35Å; S257-V347 VanDerWaalsContact CB-O 3.28Å; S257-V347 WeakPolarHBondContact CB-O 3.5Å; S257-V347 PolarHBondContact OG-O 3.36Å; L258-V347 HydrophobicContact CD2-CG2 4.41Å; F267-V347 HydrophobicContact CD2-CG2 3.98Å; F267-V347 HydrophobicContact CE2-CG2 3.81Å; D345-V347 PolarHBondContact O-N 2.67Å
348	F	97.4	Very high	97.6	Very high	24 Å²	24	24.8 Å²	24.8	11%	0.105	14%	0.14	C	C	.	.	S	Bend	trans	-84.4	-34.3	177	-69.1	-109.5	0	0	0	111.7	T93 C254 L258 F267 L271 D346 H375	T93-F348 HydrophobicContact CG2-CE2 4.2Å; C254-F348 WeakPolarHBondContact CA-O 3.33Å; C254-F348 WeakPolarHBondContact CB-O 3.11Å; C254-F348 PolarHBondContact SG-O 2.9Å; L258-F348 HydrophobicContact CD1-CD1 3.79Å; L258-F348 HydrophobicContact CD1-CE1 4.21Å; L258-F348 HydrophobicContact CD1-CG 4.37Å; L258-F348 HydrophobicContact CD2-CD1 3.88Å; L258-F348 HydrophobicContact CD2-CD2 4.08Å; L258-F348 HydrophobicContact CD2-CE1 4.02Å; L258-F348 HydrophobicContact CD2-CE2 4.21Å; L258-F348 HydrophobicContact CD2-CG 3.92Å; L258-F348 HydrophobicContact CD2-CZ 4.19Å; L258-F348 HydrophobicContact CG-CD1 4.38Å; F267-F348 HydrophobicContact CB-CE1 4.37Å; F267-F348 HydrophobicContact CB-CE2 4.22Å; F267-F348 HydrophobicContact CB-CZ 3.66Å; F267-F348 AromaticContact CD1-CE2 3.81Å; F267-F348 HydrophobicContact CD1-CE2 3.81Å; F267-F348 AromaticContact CD1-CZ 3.62Å; F267-F348 HydrophobicContact CD1-CZ 3.62Å; F267-F348 AromaticContact CD2-CE2 3.99Å; F267-F348 HydrophobicContact CD2-CE2 3.99Å; F267-F348 HydrophobicContact CD2-CZ 4.29Å; F267-F348 HydrophobicContact CE1-CE2 4.13Å; F267-F348 HydrophobicContact CE1-CZ 4.33Å; F267-F348 HydrophobicContact CE2-CE2 4.32Å; F267-F348 AromaticContact CG-CE2 3.73Å; F267-F348 HydrophobicContact CG-CE2 3.73Å; F267-F348 AromaticContact CG-CZ 3.59Å; F267-F348 HydrophobicContact CG-CZ 3.59Å; F267-F348 HydrophobicContact CZ-CE2 4.38Å; L271-F348 HydrophobicContact CD1-CE1 3.58Å; L271-F348 HydrophobicContact CD1-CZ 4.2Å; D346-F348 VanDerWaalsContact C-N 3.34Å; D346-F348 WeakPolarHBondContact OD1-CB 3.41Å; D346-F348 PolarHBondContact OD1-N 3.41Å; F348-H375 HydrophobicContact CB-CB 4.41Å; F348-H375 WeakPolarHBondContact CB-CE1 3.41Å; F348-H375 VanDerWaalsContact CB-ND1 3.29Å; F348-H375 WeakPolarHBondContact CB-ND1 3.32Å; F348-H375 AromaticContact CD1-CD2 3.67Å; F348-H375 AromaticContact CD1-NE2 3.68Å; F348-H375 HydrophobicContact CD2-CB 3.43Å; F348-H375 VanDerWaalsContact CD2-CB 3.43Å; F348-H375 AromaticContact CD2-CD2 3.76Å; F348-H375 AromaticContact CD2-CG 3.44Å; F348-H375 VanDerWaalsContact CD2-CG 3.44Å; F348-H375 AromaticContact CD2-ND1 3.96Å; F348-H375 AromaticContact CE1-CD2 3.97Å; F348-H375 HydrophobicContact CE2-CB 3.84Å; F348-H375 HydrophobicContact CG-CB 4.02Å; F348-H375 AromaticContact CG-CD2 3.55Å; F348-H375 AromaticContact CG-CE1 3.77Å; F348-H375 AromaticContact CG-CG 3.47Å; F348-H375 VanDerWaalsContact CG-CG 3.47Å; F348-H375 AromaticContact CG-ND1 3.63Å; F348-H375 AromaticContact CG-NE2 3.75Å
349	S	96.8	Very high	97.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-122.4	78.3	176.2	172.5	0	0	0	0	109	A247 N342 D346	A247-S349 PolarHBondContact O-OG 3.1Å; N342-S349 PolarHBondContact ND2-OG 3.24Å; D346-S349 CarbonylContact O-C 3.16Å; D346-S349 PolarHBondContact OD1-N 2.86Å
350	P	96.8	Very high	97.5	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.058	16%	0.161	C	C	.	.			trans	-60.8	145.4	-172.3	28.2	-37	0	0	0	111.9	E253 D346 H352 A353	E253-P350 HydrophobicContact CB-CG 4.23Å; D346-P350 WeakPolarHBondContact O-CA 3.33Å; P350-H352 VanDerWaalsContact C-N 3.27Å; P350-H352 PolarHBondContact O-N 2.89Å; P350-H352 VanDerWaalsContact O-N 3.13Å; P350-A353 HydrophobicContact CG-CB 4.03Å; P350-A353 WeakPolarHBondContact O-CB 3.32Å; P350-A353 PolarHBondContact O-N 3.46Å
351	S	96.8	Very high	97.5	Very high	72 Å²	72	35.4 Å²	35.4	50%	0.503	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-56.1	-35.1	-169.6	58.8	0	0	0	0	114.8	A344 A353 I354	A344-S351 WeakPolarHBondContact O-CB 3.36Å; S351-A353 PolarHBondContact O-N 2.86Å; S351-I354 WeakPolarHBondContact O-CB 3.45Å; S351-I354 PolarHBondContact O-N 3.24Å
352	H	96.6	Very high	97.4	Very high	123 Å²	123	35.7 Å²	35.7	57%	0.569	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-70.7	-19.4	178.6	66.3	-85.5	0	0	0	113.6	E253 P350	E253-H352 IonicContact OE2-CD2 3.06Å; E253-H352 IonicContact OE2-CE1 3.28Å; E253-H352 IonicContact OE2-NE2 3Å; E253-H352 PolarHBondContact OE2-NE2 2.82Å; P350-H352 VanDerWaalsContact C-N 3.27Å; P350-H352 PolarHBondContact O-N 2.89Å; P350-H352 VanDerWaalsContact O-N 3.13Å
353	A	97	Very high	97.4	Very high	12 Å²	12	37 Å²	37	10%	0.099	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-91.1	-6	177.1	0	0	0	0	0	113	W249 D250 E253 P350 S351	W249-A353 WeakPolarHBondContact CB-O 3.29Å; D250-A353 HydrophobicContact CB-CB 4.34Å; E253-A353 HydrophobicContact CB-CB 3.67Å; E253-A353 HydrophobicContact CG-CB 4.06Å; P350-A353 HydrophobicContact CG-CB 4.03Å; P350-A353 WeakPolarHBondContact O-CB 3.32Å; P350-A353 PolarHBondContact O-N 3.46Å; S351-A353 PolarHBondContact O-N 2.86Å
354	I	98.1	Very high	97.3	Very high	13 Å²	13	37.5 Å²	37.5	7%	0.067	20%	0.201	C	C	.	.	S	Bend	trans	-67.8	128.6	177.7	-61.6	178.4	0	0	0	109.4	N342 S351 V356 L367 I369	N342-I354 HydrophobicContact CB-CD1 3.94Å; S351-I354 WeakPolarHBondContact O-CB 3.45Å; S351-I354 PolarHBondContact O-N 3.24Å; I354-V356 HydrophobicContact CG2-CG2 4.24Å; I354-V356 PolarHBondContact O-N 2.87Å; I354-L367 HydrophobicContact CG2-CD1 4.07Å; I354-L367 HydrophobicContact CG2-CD2 3.44Å; I354-L367 VanDerWaalsContact CG2-CD2 3.44Å; I354-L367 HydrophobicContact CG2-CG 4.31Å; I354-I369 HydrophobicContact CG2-CD1 4.16Å
355	P	97.5	Very high	97.4	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.052	19%	0.185	C	C	.	.			trans	-85	52	-163	35.9	-40.5	0	0	0	112.9	W249 V328 L331 E357 V358 V359	W249-P355 HydrophobicContact CB-CG 4.2Å; W249-P355 HydrophobicContact CD2-CG 3.58Å; W249-P355 HydrophobicContact CE3-CG 3.92Å; W249-P355 HydrophobicContact CG-CG 3.73Å; V328-P355 HydrophobicContact CB-CB 4.45Å; V328-P355 HydrophobicContact CG2-CB 3.77Å; L331-P355 HydrophobicContact CD1-CB 3.85Å; L331-P355 HydrophobicContact CD1-CG 3.61Å; P355-E357 VanDerWaalsContact C-N 3.31Å; P355-E357 PolarHBondContact O-N 3.42Å; P355-V358 HydrophobicContact CB-CB 4.39Å; P355-V358 PolarHBondContact O-N 2.94Å; P355-V359 HydrophobicContact CG-CG2 4.35Å; P355-V359 WeakPolarHBondContact O-CG2 3.34Å; P355-V359 PolarHBondContact O-N 3.32Å
356	V	98.1	Very high	97.4	Very high	35 Å²	35	34 Å²	34	21%	0.212	18%	0.177	C	C	.	.	H	α-helix	trans	-53.2	-46.8	-175.7	172.4	0	0	0	0	111.9	I59 I354 V359 K360 L367 I369	I59-V356 HydrophobicContact CD1-CB 4.5Å; I59-V356 HydrophobicContact CD1-CG1 3.77Å; I59-V356 HydrophobicContact CD1-CG2 4.03Å; I354-V356 HydrophobicContact CG2-CG2 4.24Å; I354-V356 PolarHBondContact O-N 2.87Å; V356-V359 PolarHBondContact O-N 2.74Å; V356-K360 HydrophobicContact CG1-CD 4.36Å; V356-K360 WeakPolarHBondContact O-CG 3.49Å; V356-K360 PolarHBondContact O-N 2.92Å; V356-K360 VanDerWaalsContact O-N 3.08Å; V356-L367 HydrophobicContact CG2-CD2 3.92Å; V356-I369 HydrophobicContact CG2-CD1 4.08Å
357	E	97.3	Very high	97.4	Very high	111 Å²	111	33.9 Å²	33.9	52%	0.519	18%	0.176	S	C	.	.	H	α-helix	trans	-70.6	-34.5	-176	-62.6	-50.4	126.2	0	0	112.9	P355 K360 Q361	P355-E357 VanDerWaalsContact C-N 3.31Å; P355-E357 PolarHBondContact O-N 3.42Å; E357-K360 IonicContact OE1-NZ 2.83Å; E357-K360 PolarHBondContact OE1-NZ 3.19Å; E357-K360 IonicContact OE2-NZ 3.54Å; E357-Q361 WeakPolarHBondContact O-CG 3.49Å; E357-Q361 PolarHBondContact O-NE2 2.91Å
358	V	96.4	Very high	97.5	Very high	26 Å²	26	33.3 Å²	33.3	16%	0.158	17%	0.172	C	C	.	.	H	α-helix	trans	-71.8	-38.4	176.2	-174.9	0	0	0	0	110.7	V328 L331 K332 P355 K360 Q361	V328-V358 HydrophobicContact CG2-CG2 4.12Å; L331-V358 HydrophobicContact CB-CG1 3.62Å; L331-V358 HydrophobicContact CD1-CG1 4.42Å; K332-V358 HydrophobicContact CG-CG1 3.85Å; P355-V358 HydrophobicContact CB-CB 4.39Å; P355-V358 PolarHBondContact O-N 2.94Å; V358-K360 PolarHBondContact O-N 2.86Å; V358-Q361 PolarHBondContact O-N 3.2Å; V358-Q361 VanDerWaalsContact O-N 3.17Å
359	V	97.9	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-43	175.9	168.5	0	0	0	0	111.4	I59 G61 P355 V356 Q361 N362 L365 L367	I59-V359 HydrophobicContact CG2-CG1 4.45Å; G61-V359 WeakPolarHBondContact CA-O 3.5Å; G61-V359 PolarHBondContact N-O 3.2Å; P355-V359 HydrophobicContact CG-CG2 4.35Å; P355-V359 WeakPolarHBondContact O-CG2 3.34Å; P355-V359 PolarHBondContact O-N 3.32Å; V356-V359 PolarHBondContact O-N 2.74Å; V359-Q361 PolarHBondContact O-N 3.17Å; V359-Q361 VanDerWaalsContact O-N 3.14Å; V359-N362 PolarHBondContact O-N 3.45Å; V359-L365 HydrophobicContact CB-CB 4.37Å; V359-L365 HydrophobicContact CG1-CB 3.95Å; V359-L365 HydrophobicContact CG2-CB 4.3Å; V359-L365 HydrophobicContact CG2-CD1 4.26Å; V359-L367 HydrophobicContact CB-CB 4.48Å; V359-L367 HydrophobicContact CG1-CB 3.93Å; V359-L367 HydrophobicContact CG2-CB 4.22Å
360	K	97.7	Very high	97.7	Very high	101 Å²	101	33.3 Å²	33.3	44%	0.439	17%	0.173	S	C	.	.	H	α-helix	trans	-60.1	-22.4	176.8	-74.1	172.9	-176.6	165.7	0	113.8	I59 G61 V356 E357 V358	I59-K360 HydrophobicContact CG2-CG 3.82Å; G61-K360 VanDerWaalsContact CA-O 3.28Å; G61-K360 WeakPolarHBondContact CA-O 3.5Å; V356-K360 HydrophobicContact CG1-CD 4.36Å; V356-K360 WeakPolarHBondContact O-CG 3.49Å; V356-K360 PolarHBondContact O-N 2.92Å; V356-K360 VanDerWaalsContact O-N 3.08Å; E357-K360 IonicContact OE1-NZ 2.83Å; E357-K360 PolarHBondContact OE1-NZ 3.19Å; E357-K360 IonicContact OE2-NZ 3.54Å; V358-K360 PolarHBondContact O-N 2.86Å
361	Q	97.3	Very high	97.7	Very high	121 Å²	121	35.2 Å²	35.2	57%	0.565	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.9	-177	-67.6	170.3	19.6	0	0	113.6	E357 V358 V359	E357-Q361 WeakPolarHBondContact O-CG 3.49Å; E357-Q361 PolarHBondContact O-NE2 2.91Å; V358-Q361 PolarHBondContact O-N 3.2Å; V358-Q361 VanDerWaalsContact O-N 3.17Å; V359-Q361 PolarHBondContact O-N 3.17Å; V359-Q361 VanDerWaalsContact O-N 3.14Å
362	N	97.5	Very high	97.7	Very high	6 Å²	6	33 Å²	33	3%	0.032	17%	0.168	C	C	.	.			trans	-118.4	115.2	-179	-174.1	-17.7	0	0	0	110.7	G61 L331 V334 V359 N364 L365	G61-N362 WeakPolarHBondContact CA-O 3.42Å; L331-N362 PolarHBondContact O-ND2 2.85Å; V334-N362 PolarHBondContact O-ND2 3.4Å; V334-N362 PolarHBondContact O-OD1 2.92Å; V359-N362 PolarHBondContact O-N 3.45Å; N362-N364 PolarHBondContact O-N 2.92Å; N362-N364 VanDerWaalsContact O-N 3.11Å; N362-N364 WeakPolarHBondContact OD1-CB 3.12Å; N362-N364 PolarHBondContact OD1-N 3.46Å; N362-N364 PolarHBondContact OD1-ND2 3.06Å; N362-N364 VanDerWaalsContact OD1-ND2 3.14Å; N362-L365 HydrophobicContact CB-CB 4.32Å; N362-L365 HydrophobicContact CB-CD1 3.78Å; N362-L365 HydrophobicContact CB-CG 3.78Å; N362-L365 PolarHBondContact O-N 3.28Å
363	P	97.4	Very high	97.7	Very high	28 Å²	28	27.2 Å²	27.2	18%	0.182	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.8	-175.9	27.2	-34.6	0	0	0	114.7	L365 L411	P363-L365 VanDerWaalsContact C-N 3.32Å; P363-L411 HydrophobicContact CB-CB 4.39Å; P363-L411 WeakPolarHBondContact CB-O 3.32Å
364	N	97.5	Very high	97.6	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.059	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.2	175.1	-58.1	-70.9	0	0	0	113.2	F65 V334 V336 P337 M338 N362 L411	F65-N364 VanDerWaalsContact CE1-O 3.28Å; F65-N364 WeakPolarHBondContact CE1-O 3.3Å; V334-N364 PolarHBondContact O-ND2 3.36Å; V336-N364 WeakPolarHBondContact O-CB 3.48Å; P337-N364 CarbonylContact C-O 3.55Å; P337-N364 WeakPolarHBondContact CA-O 3.43Å; M338-N364 PolarHBondContact N-O 3.09Å; N362-N364 PolarHBondContact O-N 2.92Å; N362-N364 VanDerWaalsContact O-N 3.11Å; N362-N364 WeakPolarHBondContact OD1-CB 3.12Å; N362-N364 PolarHBondContact OD1-N 3.46Å; N362-N364 PolarHBondContact OD1-ND2 3.06Å; N362-N364 VanDerWaalsContact OD1-ND2 3.14Å; N364-L411 HydrophobicContact CB-CD1 4.49Å
365	L	98.4	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141	-175.7	-59	-174.5	0	0	0	111.8	S60 G61 L331 V334 M338 V359 N362 P363	S60-L365 WeakPolarHBondContact CA-O 3.37Å; S60-L365 PolarHBondContact OG-O 3.02Å; G61-L365 PolarHBondContact N-O 3.17Å; G61-L365 VanDerWaalsContact N-O 3.11Å; L331-L365 HydrophobicContact CB-CD1 3.88Å; L331-L365 HydrophobicContact CD1-CD1 4.44Å; L331-L365 HydrophobicContact CD2-CD1 4.15Å; L331-L365 HydrophobicContact CG-CD1 4.38Å; V334-L365 HydrophobicContact CB-CD2 3.93Å; V334-L365 HydrophobicContact CG1-CD2 3.68Å; V334-L365 HydrophobicContact CG2-CD2 4.36Å; M338-L365 HydrophobicContact CB-CD2 3.72Å; M338-L365 HydrophobicContact CE-CD2 4.28Å; M338-L365 HydrophobicContact CG-CD2 4.29Å; M338-L365 HydrophobicContact SD-CD2 4.2Å; V359-L365 HydrophobicContact CB-CB 4.37Å; V359-L365 HydrophobicContact CG1-CB 3.95Å; V359-L365 HydrophobicContact CG2-CB 4.3Å; V359-L365 HydrophobicContact CG2-CD1 4.26Å; N362-L365 HydrophobicContact CB-CB 4.32Å; N362-L365 HydrophobicContact CB-CD1 3.78Å; N362-L365 HydrophobicContact CB-CG 3.78Å; N362-L365 PolarHBondContact O-N 3.28Å; P363-L365 VanDerWaalsContact C-N 3.32Å
366	A	98.6	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.2	165.4	0	0	0	0	0	110.1	L58 I59 F65 L69 M338 L339 C340	L58-A366 HydrophobicContact CD1-CB 4.4Å; I59-A366 CarbonylContact O-C 3.59Å; I59-A366 VanDerWaalsContact O-CA 3.25Å; I59-A366 WeakPolarHBondContact O-CA 3.41Å; F65-A366 HydrophobicContact CD1-CB 3.79Å; F65-A366 HydrophobicContact CE1-CB 3.49Å; F65-A366 VanDerWaalsContact CE1-CB 3.49Å; F65-A366 HydrophobicContact CZ-CB 4.2Å; L69-A366 HydrophobicContact CD1-CB 3.33Å; M338-A366 PolarHBondContact O-N 3.46Å; L339-A366 CarbonylContact C-O 3.52Å; L339-A366 HydrophobicContact CD1-CB 3.92Å; C340-A366 WeakPolarHBondContact CB-O 3.46Å; C340-A366 PolarHBondContact N-O 2.87Å; C340-A366 PolarHBondContact SG-O 3.04Å
367	L	98.6	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.6	-178.8	176.9	67.6	0	0	0	108.6	I59 C340 I354 V356 V359 I369	I59-L367 HydrophobicContact CB-CB 4.42Å; I59-L367 PolarHBondContact N-O 2.82Å; I59-L367 PolarHBondContact O-N 2.91Å; C340-L367 HydrophobicContact CB-CD1 3.66Å; C340-L367 CarbonylContact O-C 3.6Å; C340-L367 WeakPolarHBondContact O-CA 3.29Å; I354-L367 HydrophobicContact CG2-CD1 4.07Å; I354-L367 HydrophobicContact CG2-CD2 3.44Å; I354-L367 VanDerWaalsContact CG2-CD2 3.44Å; I354-L367 HydrophobicContact CG2-CG 4.31Å; V356-L367 HydrophobicContact CG2-CD2 3.92Å; V359-L367 HydrophobicContact CB-CB 4.48Å; V359-L367 HydrophobicContact CG1-CB 3.93Å; V359-L367 HydrophobicContact CG2-CB 4.22Å; L367-I369 HydrophobicContact CD1-CG1 4.29Å; L367-I369 HydrophobicContact CD2-CD1 3.76Å; L367-I369 HydrophobicContact CD2-CG1 3.94Å; L367-I369 HydrophobicContact CG-CD1 4.14Å; L367-I369 HydrophobicContact CG-CG1 3.73Å
368	L	98.8	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113	176.7	-170	65.7	0	0	0	107.5	P56 Q57 L58 V76 L339 C340 L341 N342 Y389 V393	P56-L368 HydrophobicContact CB-CD1 3.55Å; P56-L368 HydrophobicContact CB-CG 3.91Å; P56-L368 HydrophobicContact CG-CD1 3.57Å; P56-L368 HydrophobicContact CG-CG 4.25Å; Q57-L368 WeakPolarHBondContact O-CA 3.49Å; L58-L368 HydrophobicContact CB-CD1 4.16Å; L58-L368 HydrophobicContact CD1-CD1 4.23Å; V76-L368 HydrophobicContact CB-CD1 3.93Å; V76-L368 HydrophobicContact CB-CD2 4.4Å; V76-L368 HydrophobicContact CG1-CD1 4.38Å; V76-L368 HydrophobicContact CG1-CD2 4.09Å; L339-L368 HydrophobicContact CD1-CB 4.34Å; C340-L368 PolarHBondContact O-N 3.04Å; L341-L368 WeakPolarHBondContact CA-O 3.26Å; L341-L368 HydrophobicContact CD1-CB 4.2Å; L341-L368 HydrophobicContact CD1-CD2 4.09Å; L341-L368 HydrophobicContact CD1-CG 4.1Å; L341-L368 WeakPolarHBondContact CD1-O 3.34Å; N342-L368 PolarHBondContact N-O 2.85Å; L368-Y389 HydrophobicContact CD2-CE1 4.27Å; L368-V393 HydrophobicContact CD2-CG1 4.25Å; L368-V393 HydrophobicContact CD2-CG2 4.05Å
369	I	98.6	Very high	97.1	Very high	21 Å²	21	19.3 Å²	19.3	11%	0.108	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.2	-178.2	-48.5	178.7	0	0	0	109.4	P56 Q57 I59 N342 A344 I354 V356 L367	P56-I369 CarbonylContact C-O 3.55Å; P56-I369 VanDerWaalsContact CA-O 3.23Å; P56-I369 WeakPolarHBondContact CA-O 3.3Å; P56-I369 WeakPolarHBondContact CB-O 3.36Å; Q57-I369 HydrophobicContact CB-CB 4.35Å; Q57-I369 PolarHBondContact N-O 3.32Å; Q57-I369 PolarHBondContact O-N 3.48Å; I59-I369 HydrophobicContact CD1-CD1 4.01Å; N342-I369 VanDerWaalsContact O-CA 3.31Å; N342-I369 WeakPolarHBondContact O-CA 3.46Å; A344-I369 HydrophobicContact CB-CG2 4.14Å; I354-I369 HydrophobicContact CG2-CD1 4.16Å; V356-I369 HydrophobicContact CG2-CD1 4.08Å; L367-I369 HydrophobicContact CD1-CG1 4.29Å; L367-I369 HydrophobicContact CD2-CD1 3.76Å; L367-I369 HydrophobicContact CD2-CG1 3.94Å; L367-I369 HydrophobicContact CG-CD1 4.14Å; L367-I369 HydrophobicContact CG-CG1 3.73Å
370	T	98.4	Very high	96.9	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	152.1	169.6	56	0	0	0	0	110.3	P56 Y80 L341 N342 A343 A344 H372 Y389	P56-T370 HydrophobicContact CB-CG2 4.03Å; Y80-T370 HydrophobicContact CD1-CG2 3.89Å; Y80-T370 HydrophobicContact CG-CG2 4.44Å; L341-T370 HydrophobicContact CD1-CG2 4.04Å; N342-T370 PolarHBondContact O-N 3.41Å; A343-T370 WeakPolarHBondContact CA-OG1 3.25Å; A344-T370 WeakPolarHBondContact CB-O 3.35Å; A344-T370 PolarHBondContact N-O 3.01Å; T370-H372 VanDerWaalsContact C-N 3.3Å; T370-H372 WeakPolarHBondContact CB-O 3.44Å; T370-H372 PolarHBondContact OG1-O 2.99Å; T370-Y389 HydrophobicContact CG2-CD1 4.23Å; T370-Y389 HydrophobicContact CG2-CE1 3.84Å
371	C	97	Very high	96.5	Very high	48 Å²	48	17.4 Å²	17.4	32%	0.324	10%	0.098	S	C	.	.	S	Bend	trans	-68	-35.5	173.6	-63.4	0	0	0	0	112.1	K54	K54-C371 HydrophobicContact CD-CB 4.45Å; K54-C371 VanDerWaalsContact CD-SG 3.51Å
372	H	97.3	Very high	96.1	Very high	27 Å²	27	16.1 Å²	16.1	13%	0.125	10%	0.095	C	C	.	.			trans	-128.4	164	-179.3	-65.5	-66.8	0	0	0	110.8	Y80 P82 W87 D345 T370	Y80-H372 WeakPolarHBondContact CE1-O 3.26Å; P82-H372 HydrophobicContact CB-CB 4.46Å; P82-H372 HydrophobicContact CG-CB 3.87Å; W87-H372 AromaticContact CE3-CE1 3.62Å; W87-H372 AromaticContact CE3-ND1 3.86Å; W87-H372 AromaticContact CZ3-CE1 3.81Å; D345-H372 WeakPolarHBondContact OD1-CA 3.36Å; D345-H372 WeakPolarHBondContact OD2-CA 3.39Å; D345-H372 IonicContact OD2-CG 3.81Å; D345-H372 IonicContact OD2-ND1 2.69Å; D345-H372 PolarHBondContact OD2-ND1 3.06Å; T370-H372 VanDerWaalsContact C-N 3.3Å; T370-H372 WeakPolarHBondContact CB-O 3.44Å; T370-H372 PolarHBondContact OG1-O 2.99Å
373	G	95.6	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.			trans	153.5	-17.8	175.3	0	0	0	0	0	112.7	D345 G377 F378	D345-G373 PolarHBondContact OD1-N 3.31Å; D345-G373 VanDerWaalsContact OD1-N 3.11Å; G373-G377 CarbonylContact O-C 3.34Å; G373-G377 WeakPolarHBondContact O-CA 3.44Å; G373-G377 PolarHBondContact O-N 2.87Å; G373-G377 VanDerWaalsContact O-N 3.1Å; G373-F378 PolarHBondContact O-N 3.07Å
374	G	95.9	Very high	95.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-161.4	-171.7	0	0	0	0	0	111.9	S89 D345	S89-G374 WeakPolarHBondContact O-CA 3.15Å; S89-G374 WeakPolarHBondContact OG-CA 3.26Å; D345-G374 PolarHBondContact OD1-N 3.16Å
375	H	96.6	Very high	94.7	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.051	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-47.2	-176.6	-169.5	44.8	0	0	0	112.6	T93 S220 S246 D346 F348	T93-H375 HydrophobicContact CG2-CB 3.84Å; T93-H375 PolarHBondContact OG1-N 2.86Å; S220-H375 VanDerWaalsContact CB-NE2 3.28Å; S220-H375 WeakPolarHBondContact CB-NE2 3.35Å; S220-H375 PolarHBondContact OG-CE1 3.34Å; S220-H375 PolarHBondContact OG-NE2 3.33Å; S246-H375 WeakPolarHBondContact CB-O 3.41Å; S246-H375 PolarHBondContact O-CE1 2.99Å; S246-H375 PolarHBondContact OG-O 3.33Å; D346-H375 WeakPolarHBondContact OD1-CA 3.45Å; D346-H375 WeakPolarHBondContact OD1-CB 3.18Å; D346-H375 IonicContact OD1-CG 2.76Å; D346-H375 IonicContact OD1-ND1 3.59Å; D346-H375 PolarHBondContact OD1-ND1 3.04Å; D346-H375 IonicContact OD2-CE1 3.59Å; D346-H375 IonicContact OD2-CG 3.66Å; D346-H375 IonicContact OD2-ND1 3.83Å; D346-H375 PolarHBondContact OD2-ND1 2.73Å; F348-H375 HydrophobicContact CB-CB 4.41Å; F348-H375 WeakPolarHBondContact CB-CE1 3.41Å; F348-H375 VanDerWaalsContact CB-ND1 3.29Å; F348-H375 WeakPolarHBondContact CB-ND1 3.32Å; F348-H375 AromaticContact CD1-CD2 3.67Å; F348-H375 AromaticContact CD1-NE2 3.68Å; F348-H375 HydrophobicContact CD2-CB 3.43Å; F348-H375 VanDerWaalsContact CD2-CB 3.43Å; F348-H375 AromaticContact CD2-CD2 3.76Å; F348-H375 AromaticContact CD2-CG 3.44Å; F348-H375 VanDerWaalsContact CD2-CG 3.44Å; F348-H375 AromaticContact CD2-ND1 3.96Å; F348-H375 AromaticContact CE1-CD2 3.97Å; F348-H375 HydrophobicContact CE2-CB 3.84Å; F348-H375 HydrophobicContact CG-CB 4.02Å; F348-H375 AromaticContact CG-CD2 3.55Å; F348-H375 AromaticContact CG-CE1 3.77Å; F348-H375 AromaticContact CG-CG 3.47Å; F348-H375 VanDerWaalsContact CG-CG 3.47Å; F348-H375 AromaticContact CG-ND1 3.63Å; F348-H375 AromaticContact CG-NE2 3.75Å
376	I	94.4	Very high	93.9	Very high	28 Å²	28	38.3 Å²	38.3	14%	0.144	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135	8.5	-179.3	55.8	169.3	0	0	0	112	T93 R96 Y156 V219	T93-I376 HydrophobicContact CG2-CG1 4.36Å; R96-I376 WeakPolarHBondContact CD-O 3.25Å; R96-I376 PolarHBondContact NE-O 3.31Å; Y156-I376 HydrophobicContact CD1-CD1 4.14Å; Y156-I376 HydrophobicContact CE1-CD1 4.14Å; V219-I376 HydrophobicContact CG1-CG2 3.62Å
377	G	94.1	Very high	93.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-74.5	-172.8	0	0	0	0	0	112.8	G373 L379	G373-G377 CarbonylContact O-C 3.34Å; G373-G377 WeakPolarHBondContact O-CA 3.44Å; G373-G377 PolarHBondContact O-N 2.87Å; G373-G377 VanDerWaalsContact O-N 3.1Å; G377-L379 PolarHBondContact O-N 3.31Å
378	F	96.6	Very high	93.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.			trans	44	32.5	-175.6	-60.1	-78.6	0	0	0	113.8	Y80 S246 L341 A343 G373 E380 T388 Y389 M390	Y80-F378 VanDerWaalsContact OH-CA 3.22Å; Y80-F378 WeakPolarHBondContact OH-CA 3.4Å; S246-F378 VanDerWaalsContact OG-CE2 3.32Å; S246-F378 WeakPolarHBondContact OG-CE2 3.35Å; S246-F378 WeakPolarHBondContact OG-CZ 3.5Å; L341-F378 HydrophobicContact CD1-CE1 3.88Å; L341-F378 HydrophobicContact CD1-CZ 4.36Å; L341-F378 HydrophobicContact CD2-CD1 4.07Å; L341-F378 HydrophobicContact CD2-CE1 3.88Å; L341-F378 HydrophobicContact CD2-CE2 4.47Å; L341-F378 HydrophobicContact CD2-CG 4.46Å; L341-F378 HydrophobicContact CD2-CZ 4.1Å; L341-F378 HydrophobicContact CG-CD1 4.43Å; L341-F378 HydrophobicContact CG-CE1 3.75Å; L341-F378 HydrophobicContact CG-CZ 3.81Å; A343-F378 HydrophobicContact CB-CE1 4.07Å; A343-F378 HydrophobicContact CB-CZ 4.23Å; G373-F378 PolarHBondContact O-N 3.07Å; F378-E380 PolarHBondContact O-N 2.91Å; F378-T388 VanDerWaalsContact O-CB 3.29Å; F378-T388 WeakPolarHBondContact O-CB 3.44Å; F378-Y389 HydrophobicContact CD1-CD1 4.47Å; F378-Y389 PolarHBondContact O-N 2.94Å; F378-M390 HydrophobicContact CB-CB 3.79Å; F378-M390 HydrophobicContact CD2-CB 3.91Å; F378-M390 HydrophobicContact CD2-CG 4.48Å; F378-M390 HydrophobicContact CD2-SD 3.95Å; F378-M390 HydrophobicContact CE2-SD 4.4Å; F378-M390 HydrophobicContact CG-CB 4Å
379	L	95.9	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.			trans	-68.1	126.6	-173.5	-61.5	-178.3	0	0	0	109.6	Y80 P82 T83 Q92 R96 T100 G377 P384 T388	Y80-L379 PolarHBondContact OH-N 3.2Å; Y80-L379 PolarHBondContact OH-O 3.29Å; P82-L379 CarbonylContact C-O 3.54Å; P82-L379 VanDerWaalsContact CA-O 3.26Å; P82-L379 WeakPolarHBondContact CA-O 3.21Å; T83-L379 PolarHBondContact N-O 2.77Å; T83-L379 WeakPolarHBondContact OG1-CB 3.22Å; T83-L379 PolarHBondContact OG1-O 2.98Å; Q92-L379 HydrophobicContact CG-CD1 4.33Å; Q92-L379 VanDerWaalsContact OE1-N 3.1Å; R96-L379 HydrophobicContact CB-CD2 4.35Å; R96-L379 HydrophobicContact CG-CD2 4.28Å; T100-L379 HydrophobicContact CG2-CD2 3.7Å; G377-L379 PolarHBondContact O-N 3.31Å; L379-P384 HydrophobicContact CB-CB 3.9Å; L379-P384 HydrophobicContact CB-CG 3.96Å; L379-P384 HydrophobicContact CD1-CG 4.24Å; L379-P384 HydrophobicContact CD2-CB 4.08Å; L379-P384 HydrophobicContact CD2-CG 4.14Å; L379-P384 HydrophobicContact CG-CB 4.49Å; L379-P384 HydrophobicContact CG-CG 4.34Å; L379-T388 HydrophobicContact CD2-CG2 4.02Å
380	E	92.9	Very high	93	Very high	31 Å²	31	39.5 Å²	39.5	15%	0.145	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-119.9	142.4	-174.4	-172.8	161.6	-127.5	0	0	112.3	Y80 Y81 F378 P384 R392	Y80-E380 HydrophobicContact CD2-CB 4.41Å; Y80-E380 HydrophobicContact CD2-CG 4.29Å; Y80-E380 HydrophobicContact CE2-CB 3.97Å; Y80-E380 HydrophobicContact CE2-CG 4.31Å; Y81-E380 PolarHBondContact N-OE1 3.5Å; Y81-E380 WeakPolarHBondContact O-CA 3.31Å; F378-E380 PolarHBondContact O-N 2.91Å; E380-P384 WeakPolarHBondContact O-CB 3.44Å; E380-R392 IonicContact OE1-NH2 2.98Å; E380-R392 IonicContact OE2-CZ 3.23Å; E380-R392 IonicContact OE2-NE 3.21Å; E380-R392 PolarHBondContact OE2-NE 2.99Å; E380-R392 IonicContact OE2-NH2 3.91Å
381	G	90	Very high	93	Very high	30 Å²	30	39.3 Å²	39.3	31%	0.309	19%	0.19	S	C	.	.	S	Bend	trans	76.7	-177.6	175.6	0	0	0	0	0	113.4	Y81 T83	Y81-G381 PolarHBondContact O-N 3.15Å; T83-G381 WeakPolarHBondContact CA-O 3.25Å; T83-G381 WeakPolarHBondContact CB-O 3.32Å; T83-G381 WeakPolarHBondContact CG2-O 3.18Å; T83-G381 PolarHBondContact OG1-O 3.17Å
382	L	88.6	Confident	93	Very high	94 Å²	94	40 Å²	40	49%	0.492	19%	0.186	S	C	.	.	S	Bend	trans	-65.8	-50.6	-173.5	-167.7	62.5	0	0	0	110.6	F84 W85	F84-L382 HydrophobicContact CB-CD1 4.2Å; W85-L382 PolarHBondContact NE1-O 3Å
383	W	88.9	Confident	93.1	Very high	172 Å²	172	38.7 Å²	38.7	65%	0.652	18%	0.18	S	C	*	.	S	Bend	trans	-118.7	93	-179.9	-51.8	148.2	0	0	0	111.4	W85 R385	W85-W383 AromaticContact CD1-CZ3 3.66Å; W85-W383 HydrophobicContact CZ2-CE3 4.43Å; W85-W383 AromaticContact NE1-CE3 3.52Å; W85-W383 AromaticContact NE1-CZ3 3.17Å; W383-R385 PolarHBondContact O-N 3.37Å
384	P	87.4	Confident	93.2	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.013	18%	0.18	C	C	.	.			trans	-81.6	62.4	-171.1	36	-39.2	0	0	0	111.6	T83 V99 T100 L379 E380	T83-P384 HydrophobicContact CG2-CG 4.06Å; T83-P384 WeakPolarHBondContact OG1-CB 3.29Å; T83-P384 WeakPolarHBondContact OG1-CG 3.48Å; V99-P384 HydrophobicContact CG1-CG 3.56Å; T100-P384 WeakPolarHBondContact CG2-O 3.47Å; L379-P384 HydrophobicContact CB-CB 3.9Å; L379-P384 HydrophobicContact CB-CG 3.96Å; L379-P384 HydrophobicContact CD1-CG 4.24Å; L379-P384 HydrophobicContact CD2-CB 4.08Å; L379-P384 HydrophobicContact CD2-CG 4.14Å; L379-P384 HydrophobicContact CG-CB 4.49Å; L379-P384 HydrophobicContact CG-CG 4.34Å; E380-P384 WeakPolarHBondContact O-CB 3.44Å
385	R	86.4	Confident	93.3	Very high	175 Å²	175	41.6 Å²	41.6	66%	0.66	19%	0.192	S	C	*	.	S	Bend	trans	-89	-42.7	-173.9	-85.9	-172.5	159.9	158.7	-2.3	114.7	A101 W383	A101-R385 VanDerWaalsContact CB-O 3.26Å; A101-R385 WeakPolarHBondContact CB-O 3.33Å; A101-R385 PolarHBondContact N-O 3.46Å; W383-R385 PolarHBondContact O-N 3.37Å
386	Q	82.3	Confident	93.4	Very high	162 Å²	162	43.2 Å²	43.2	76%	0.757	20%	0.2	S	C	*	.	S	Bend	trans	-106.1	-28.9	-166.6	-66.7	-177.4	-7.1	0	0	114.2	H159	H159-Q386 PolarHBondContact CD2-O 3.44Å
387	S	86.3	Confident	93.6	Very high	44 Å²	44	41.9 Å²	41.9	31%	0.308	19%	0.193	S	C	.	.			trans	-151.4	140.1	-178.9	-173.7	0	0	0	0	109
388	T	95.3	Very high	93.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	19%	0.193	C	C	.	.			trans	-105.6	171.1	171.8	64.5	0	0	0	0	109.8	T100 F378 L379 M390 D391 R392	T100-T388 HydrophobicContact CG2-CG2 4.02Å; F378-T388 VanDerWaalsContact O-CB 3.29Å; F378-T388 WeakPolarHBondContact O-CB 3.44Å; L379-T388 HydrophobicContact CD2-CG2 4.02Å; T388-M390 VanDerWaalsContact C-N 3.25Å; T388-M390 PolarHBondContact O-N 3.11Å; T388-D391 WeakPolarHBondContact CB-OD2 3.36Å; T388-D391 PolarHBondContact N-OD2 2.74Å; T388-D391 PolarHBondContact O-N 3.3Å; T388-D391 PolarHBondContact OG1-N 3.44Å; T388-D391 PolarHBondContact OG1-OD2 3.29Å; T388-R392 PolarHBondContact O-N 2.95Å
389	Y	97.3	Very high	93.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-39.5	174.5	-178.8	-96.9	0	0	0	111.3	P56 V75 Y80 L341 L368 T370 F378 D391 R392 V393	P56-Y389 WeakPolarHBondContact CG-OH 3.36Å; V75-Y389 HydrophobicContact CG2-CD2 4.07Å; V75-Y389 HydrophobicContact CG2-CE2 3.46Å; V75-Y389 VanDerWaalsContact CG2-CE2 3.46Å; V75-Y389 PolarHBondContact O-OH 2.9Å; Y80-Y389 VanDerWaalsContact CD2-CB 3.44Å; Y80-Y389 HydrophobicContact CD2-CD1 4.25Å; Y80-Y389 AromaticContact CD2-CD2 3.53Å; Y80-Y389 HydrophobicContact CD2-CD2 3.53Å; Y80-Y389 HydrophobicContact CD2-CE2 4.37Å; Y80-Y389 AromaticContact CD2-CG 3.47Å; Y80-Y389 HydrophobicContact CD2-CG 3.47Å; Y80-Y389 VanDerWaalsContact CD2-CG 3.47Å; Y80-Y389 VanDerWaalsContact CE2-CB 3.41Å; Y80-Y389 HydrophobicContact CE2-CD2 4.39Å; Y80-Y389 AromaticContact CE2-CG 3.95Å; Y80-Y389 HydrophobicContact CE2-CG 3.95Å; Y80-Y389 HydrophobicContact CG-CD1 4.37Å; Y80-Y389 AromaticContact CG-CD2 3.96Å; Y80-Y389 HydrophobicContact CG-CD2 3.96Å; Y80-Y389 HydrophobicContact CG-CE2 4.4Å; Y80-Y389 AromaticContact CG-CG 3.97Å; Y80-Y389 HydrophobicContact CG-CG 3.97Å; L341-Y389 HydrophobicContact CD1-CE1 4.33Å; L341-Y389 HydrophobicContact CD2-CD1 4.23Å; L341-Y389 HydrophobicContact CD2-CE1 4.36Å; L368-Y389 HydrophobicContact CD2-CE1 4.27Å; T370-Y389 HydrophobicContact CG2-CD1 4.23Å; T370-Y389 HydrophobicContact CG2-CE1 3.84Å; F378-Y389 HydrophobicContact CD1-CD1 4.47Å; F378-Y389 PolarHBondContact O-N 2.94Å; Y389-D391 VanDerWaalsContact C-N 3.3Å; Y389-D391 PolarHBondContact O-N 2.69Å; Y389-R392 PolarHBondContact O-N 3.48Å; Y389-V393 HydrophobicContact CD1-CG2 3.97Å; Y389-V393 HydrophobicContact CE1-CG2 3.56Å; Y389-V393 WeakPolarHBondContact O-CG2 3.45Å; Y389-V393 PolarHBondContact O-N 3.38Å
390	M	96.8	Very high	94	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-55.3	-42.1	173.6	171.3	171.2	-178	0	0	112.7	M160 V219 F245 L341 F378 T388 V393 F394	M160-M390 HydrophobicContact CE-CE 3.23Å; M160-M390 HydrophobicContact CE-CG 4.47Å; V219-M390 HydrophobicContact CB-CE 4.36Å; V219-M390 HydrophobicContact CG1-CE 4.01Å; V219-M390 HydrophobicContact CG2-CE 3.42Å; V219-M390 VanDerWaalsContact CG2-CE 3.42Å; F245-M390 HydrophobicContact CB-CE 3.34Å; F245-M390 HydrophobicContact CB-SD 4.15Å; F245-M390 HydrophobicContact CD1-CB 4.41Å; F245-M390 HydrophobicContact CD1-CE 3.8Å; F245-M390 HydrophobicContact CD1-CG 3.52Å; F245-M390 HydrophobicContact CD1-SD 4.04Å; F245-M390 HydrophobicContact CD2-CE 3.54Å; F245-M390 HydrophobicContact CE1-CB 4.35Å; F245-M390 HydrophobicContact CE1-CE 4.45Å; F245-M390 HydrophobicContact CE1-CG 3.58Å; F245-M390 HydrophobicContact CE2-CE 4.21Å; F245-M390 HydrophobicContact CG-CE 3.27Å; F245-M390 HydrophobicContact CG-CG 4.04Å; F245-M390 HydrophobicContact CG-SD 4.09Å; F245-M390 HydrophobicContact CZ-CG 4.12Å; L341-M390 HydrophobicContact CD2-CB 4.4Å; F378-M390 HydrophobicContact CB-CB 3.79Å; F378-M390 HydrophobicContact CD2-CB 3.91Å; F378-M390 HydrophobicContact CD2-CG 4.48Å; F378-M390 HydrophobicContact CD2-SD 3.95Å; F378-M390 HydrophobicContact CE2-SD 4.4Å; F378-M390 HydrophobicContact CG-CB 4Å; T388-M390 VanDerWaalsContact C-N 3.25Å; T388-M390 PolarHBondContact O-N 3.11Å; M390-V393 PolarHBondContact O-N 2.84Å; M390-F394 WeakPolarHBondContact O-CB 3.2Å; M390-F394 PolarHBondContact O-N 3.37Å
391	D	96.9	Very high	94.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.7	-37	179.3	-56.9	-45.8	0	0	0	111.9	H159 Q163 T388 Y389 F394 K395	H159-D391 VanDerWaalsContact CB-OD1 3.31Å; H159-D391 WeakPolarHBondContact CB-OD1 3.35Å; Q163-D391 HydrophobicContact CG-CB 4.16Å; T388-D391 WeakPolarHBondContact CB-OD2 3.36Å; T388-D391 PolarHBondContact N-OD2 2.74Å; T388-D391 PolarHBondContact O-N 3.3Å; T388-D391 PolarHBondContact OG1-N 3.44Å; T388-D391 PolarHBondContact OG1-OD2 3.29Å; Y389-D391 VanDerWaalsContact C-N 3.3Å; Y389-D391 PolarHBondContact O-N 2.69Å; D391-F394 PolarHBondContact O-N 2.99Å; D391-K395 WeakPolarHBondContact O-CB 3.2Å; D391-K395 PolarHBondContact O-N 3.01Å
392	R	97.6	Very high	94.5	Very high	61 Å²	61	45 Å²	45	23%	0.23	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-43.5	175.6	-57.7	-160	-51.9	131.6	3.6	111.4	V75 E78 E380 T388 Y389 K395 Q396	V75-R392 HydrophobicContact CG2-CB 3.96Å; E78-R392 IonicContact OE2-CZ 3.63Å; E78-R392 IonicContact OE2-NH1 2.97Å; E78-R392 PolarHBondContact OE2-NH1 3.46Å; E78-R392 IonicContact OE2-NH2 3.72Å; E78-R392 PolarHBondContact OE2-NH2 3.33Å; E380-R392 IonicContact OE1-NH2 2.98Å; E380-R392 IonicContact OE2-CZ 3.23Å; E380-R392 IonicContact OE2-NE 3.21Å; E380-R392 PolarHBondContact OE2-NE 2.99Å; E380-R392 IonicContact OE2-NH2 3.91Å; T388-R392 PolarHBondContact O-N 2.95Å; Y389-R392 PolarHBondContact O-N 3.48Å; R392-K395 PolarHBondContact O-N 3.37Å; R392-Q396 WeakPolarHBondContact O-CB 3.5Å; R392-Q396 WeakPolarHBondContact O-CG 3.41Å; R392-Q396 PolarHBondContact O-N 3.43Å
393	V	98.6	Very high	94.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-47.2	175	-178	0	0	0	0	110.4	V75 I243 F245 L339 L341 L368 Y389 M390 F397	V75-V393 HydrophobicContact CG1-CB 4.33Å; V75-V393 HydrophobicContact CG1-CG2 3.91Å; V75-V393 HydrophobicContact CG2-CG2 3.72Å; I243-V393 HydrophobicContact CD1-CG1 3.74Å; F245-V393 HydrophobicContact CE1-CB 4.44Å; F245-V393 HydrophobicContact CE1-CG1 4.45Å; L339-V393 HydrophobicContact CD2-CG1 3.91Å; L341-V393 HydrophobicContact CD2-CB 4.48Å; L341-V393 HydrophobicContact CD2-CG2 4.23Å; L368-V393 HydrophobicContact CD2-CG1 4.25Å; L368-V393 HydrophobicContact CD2-CG2 4.05Å; Y389-V393 HydrophobicContact CD1-CG2 3.97Å; Y389-V393 HydrophobicContact CE1-CG2 3.56Å; Y389-V393 WeakPolarHBondContact O-CG2 3.45Å; Y389-V393 PolarHBondContact O-N 3.38Å; M390-V393 PolarHBondContact O-N 2.84Å; V393-F397 VanDerWaalsContact O-CB 3.29Å; V393-F397 WeakPolarHBondContact O-CB 3.39Å; V393-F397 PolarHBondContact O-N 2.98Å
394	F	98.7	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-55.9	-55.1	175.6	172.6	-102	0	0	0	111.9	V142 L144 M160 Q163 S164 A217 I243 F245 M390 D391 Q396 F397 A398	V142-F394 HydrophobicContact CG1-CE2 4.05Å; V142-F394 HydrophobicContact CG1-CZ 3.99Å; L144-F394 HydrophobicContact CD2-CE2 4.07Å; L144-F394 HydrophobicContact CD2-CZ 4.16Å; M160-F394 HydrophobicContact CB-CD1 4.16Å; M160-F394 HydrophobicContact CB-CE1 3.84Å; M160-F394 HydrophobicContact CB-CE2 4.31Å; M160-F394 HydrophobicContact CB-CZ 3.9Å; M160-F394 HydrophobicContact CE-CD2 4.49Å; M160-F394 HydrophobicContact CG-CD1 3.94Å; M160-F394 HydrophobicContact CG-CD2 4.02Å; M160-F394 HydrophobicContact CG-CE1 4.1Å; M160-F394 HydrophobicContact CG-CE2 4.16Å; M160-F394 HydrophobicContact CG-CG 3.9Å; M160-F394 HydrophobicContact CG-CZ 4.19Å; M160-F394 VanDerWaalsContact O-CE1 3.24Å; M160-F394 WeakPolarHBondContact O-CE1 3.2Å; M160-F394 HydrophobicContact SD-CD2 4.17Å; M160-F394 HydrophobicContact SD-CE2 4.27Å; Q163-F394 HydrophobicContact CB-CD1 3.75Å; Q163-F394 HydrophobicContact CB-CE1 3.84Å; Q163-F394 HydrophobicContact CG-CD1 4.26Å; S164-F394 WeakPolarHBondContact OG-CE1 3.33Å; S164-F394 WeakPolarHBondContact OG-CZ 3.47Å; A217-F394 HydrophobicContact CB-CD2 3.98Å; A217-F394 HydrophobicContact CB-CE2 3.69Å; I243-F394 HydrophobicContact CG2-CD2 4.06Å; F245-F394 HydrophobicContact CE2-CB 4.33Å; F245-F394 HydrophobicContact CE2-CD2 4.34Å; F245-F394 HydrophobicContact CZ-CB 3.79Å; M390-F394 WeakPolarHBondContact O-CB 3.2Å; M390-F394 PolarHBondContact O-N 3.37Å; D391-F394 PolarHBondContact O-N 2.99Å; F394-Q396 PolarHBondContact O-N 3.43Å; F394-F397 PolarHBondContact O-N 2.86Å; F394-A398 HydrophobicContact CZ-CB 4.49Å; F394-A398 WeakPolarHBondContact O-CB 3.25Å; F394-A398 PolarHBondContact O-N 2.85Å
395	K	98.4	Very high	94.8	Very high	60 Å²	60	40.9 Å²	40.9	26%	0.261	19%	0.19	S	C	.	.	H	α-helix	trans	-58.7	-48.1	-175.9	-166.8	-173.5	-149.9	142.3	0	111.7	Q163 D166 L167 D391 R392 K399	Q163-K395 HydrophobicContact CB-CB 4.14Å; Q163-K395 HydrophobicContact CB-CG 4.25Å; Q163-K395 HydrophobicContact CG-CB 4.31Å; D166-K395 IonicContact OD2-NZ 3.76Å; D166-K395 PolarHBondContact OD2-NZ 3Å; L167-K395 HydrophobicContact CD1-CG 3.9Å; L167-K395 HydrophobicContact CD2-CG 4.28Å; L167-K395 HydrophobicContact CG-CG 4.15Å; D391-K395 WeakPolarHBondContact O-CB 3.2Å; D391-K395 PolarHBondContact O-N 3.01Å; R392-K395 PolarHBondContact O-N 3.37Å; K395-K399 WeakPolarHBondContact O-CB 3.48Å; K395-K399 PolarHBondContact O-N 3.49Å
396	Q	98.6	Very high	94.8	Very high	46 Å²	46	35 Å²	35	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-66.8	-44.8	-178	-69.2	-175.4	16.5	0	0	111.7	C73 P74 V75 R392 F394 K399 A400	C73-Q396 HydrophobicContact CB-CB 4.15Å; P74-Q396 VanDerWaalsContact CD-OE1 3.23Å; V75-Q396 HydrophobicContact CG1-CB 4.3Å; V75-Q396 HydrophobicContact CG1-CG 4.42Å; R392-Q396 WeakPolarHBondContact O-CB 3.5Å; R392-Q396 WeakPolarHBondContact O-CG 3.41Å; R392-Q396 PolarHBondContact O-N 3.43Å; F394-Q396 PolarHBondContact O-N 3.43Å; Q396-K399 PolarHBondContact O-N 3.42Å; Q396-A400 VanDerWaalsContact O-CB 3.26Å; Q396-A400 WeakPolarHBondContact O-CB 3.13Å; Q396-A400 PolarHBondContact O-N 3.45Å
397	F	98.7	Very high	95	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67	-41.1	178.7	-175.5	-102.2	0	0	0	112.2	F65 L69 M215 V242 I243 L339 V393 F394 K399 A400 V401	F65-F397 HydrophobicContact CE2-CE2 4.04Å; F65-F397 AromaticContact CZ-CE2 3.95Å; F65-F397 HydrophobicContact CZ-CE2 3.95Å; F65-F397 HydrophobicContact CZ-CZ 4.35Å; L69-F397 HydrophobicContact CD2-CD2 3.74Å; L69-F397 HydrophobicContact CD2-CE2 3.9Å; M215-F397 HydrophobicContact CE-CD1 4.24Å; M215-F397 HydrophobicContact CE-CE1 4.5Å; V242-F397 VanDerWaalsContact O-CE1 3.3Å; V242-F397 WeakPolarHBondContact O-CE1 3.46Å; I243-F397 HydrophobicContact CB-CD1 3.61Å; I243-F397 HydrophobicContact CB-CE1 3.84Å; I243-F397 HydrophobicContact CB-CG 4.49Å; I243-F397 HydrophobicContact CD1-CB 4.04Å; I243-F397 HydrophobicContact CD1-CD1 4.14Å; I243-F397 HydrophobicContact CD1-CG 4.24Å; I243-F397 HydrophobicContact CG1-CD1 4.37Å; I243-F397 HydrophobicContact CG2-CD1 4.05Å; I243-F397 HydrophobicContact CG2-CE1 4.5Å; L339-F397 HydrophobicContact CB-CD2 3.91Å; L339-F397 HydrophobicContact CB-CE1 4.27Å; L339-F397 HydrophobicContact CB-CE2 3.66Å; L339-F397 HydrophobicContact CB-CG 4.31Å; L339-F397 HydrophobicContact CB-CZ 3.84Å; L339-F397 HydrophobicContact CD2-CB 4.15Å; L339-F397 HydrophobicContact CD2-CD2 3.7Å; L339-F397 HydrophobicContact CD2-CE2 4.29Å; L339-F397 HydrophobicContact CD2-CG 3.97Å; L339-F397 HydrophobicContact CG-CD2 4.47Å; V393-F397 VanDerWaalsContact O-CB 3.29Å; V393-F397 WeakPolarHBondContact O-CB 3.39Å; V393-F397 PolarHBondContact O-N 2.98Å; F394-F397 PolarHBondContact O-N 2.86Å; F397-K399 PolarHBondContact O-N 2.9Å; F397-A400 PolarHBondContact O-N 3.38Å; F397-V401 HydrophobicContact CD1-CG2 4.02Å; F397-V401 HydrophobicContact CD2-CG2 4.18Å; F397-V401 HydrophobicContact CE1-CG2 3.58Å; F397-V401 HydrophobicContact CE2-CG2 3.74Å; F397-V401 HydrophobicContact CG-CG2 4.33Å; F397-V401 HydrophobicContact CZ-CG2 3.44Å; F397-V401 VanDerWaalsContact CZ-CG2 3.44Å; F397-V401 WeakPolarHBondContact O-CB 3.26Å; F397-V401 WeakPolarHBondContact O-CG2 3.48Å; F397-V401 PolarHBondContact O-N 2.95Å
398	A	98.5	Very high	95	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-47.8	177.9	0	0	0	0	0	111.5	L167 Y169 M215 F394 V401 I402	L167-A398 HydrophobicContact CD1-CB 4.37Å; Y169-A398 HydrophobicContact CE2-CB 4.4Å; M215-A398 HydrophobicContact CE-CB 3.97Å; M215-A398 WeakPolarHBondContact SD-CA 3.17Å; M215-A398 HydrophobicContact SD-CB 3.43Å; M215-A398 WeakPolarHBondContact SD-CB 3.34Å; F394-A398 HydrophobicContact CZ-CB 4.49Å; F394-A398 WeakPolarHBondContact O-CB 3.25Å; F394-A398 PolarHBondContact O-N 2.85Å; A398-V401 PolarHBondContact O-N 2.89Å; A398-I402 WeakPolarHBondContact O-CB 3.4Å; A398-I402 WeakPolarHBondContact O-CG1 3.09Å; A398-I402 PolarHBondContact O-N 3.18Å; A398-I402 VanDerWaalsContact O-N 3.15Å
399	K	98.3	Very high	94.3	Very high	96 Å²	96	37.5 Å²	37.5	42%	0.417	19%	0.185	S	C	.	.	H	α-helix	trans	-57.1	-51.3	174	-171.1	-176.6	175.4	-171.2	0	111.8	L167 Y169 K395 Q396 F397 V401 I402 E403	L167-K399 HydrophobicContact CD1-CB 4.16Å; L167-K399 HydrophobicContact CD2-CB 4.09Å; L167-K399 HydrophobicContact CD2-CD 4.09Å; L167-K399 HydrophobicContact CD2-CG 4.15Å; Y169-K399 WeakPolarHBondContact OH-CA 3.5Å; K395-K399 WeakPolarHBondContact O-CB 3.48Å; K395-K399 PolarHBondContact O-N 3.49Å; Q396-K399 PolarHBondContact O-N 3.42Å; F397-K399 PolarHBondContact O-N 2.9Å; K399-V401 PolarHBondContact O-N 2.9Å; K399-I402 PolarHBondContact O-N 3.07Å; K399-E403 VanDerWaalsContact CE-OE1 3.25Å; K399-E403 WeakPolarHBondContact CE-OE1 3.38Å; K399-E403 WeakPolarHBondContact CE-OE2 3.25Å; K399-E403 VanDerWaalsContact CG-CD 3.49Å; K399-E403 HydrophobicContact CG-CG 4.31Å; K399-E403 WeakPolarHBondContact CG-OE1 3.3Å; K399-E403 IonicContact NZ-OE2 3.11Å; K399-E403 WeakPolarHBondContact O-CB 3.36Å; K399-E403 PolarHBondContact O-N 3.05Å
400	A	97.9	Very high	93.2	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-44.7	-177.6	0	0	0	0	0	112.4	F68 Q72 Q396 F397 E404 G405	F68-A400 HydrophobicContact CE1-CB 3.78Å; F68-A400 HydrophobicContact CZ-CB 3.66Å; F68-A400 WeakPolarHBondContact CZ-O 3.39Å; Q72-A400 HydrophobicContact CB-CB 3.6Å; Q72-A400 HydrophobicContact CG-CB 4.48Å; Q396-A400 VanDerWaalsContact O-CB 3.26Å; Q396-A400 WeakPolarHBondContact O-CB 3.13Å; Q396-A400 PolarHBondContact O-N 3.45Å; F397-A400 PolarHBondContact O-N 3.38Å; A400-E404 CarbonylContact O-C 3.5Å; A400-E404 VanDerWaalsContact O-CA 3.3Å; A400-E404 WeakPolarHBondContact O-CA 3.37Å; A400-E404 VanDerWaalsContact O-CB 3.27Å; A400-E404 WeakPolarHBondContact O-CB 3.45Å; A400-E404 PolarHBondContact O-N 3.04Å; A400-G405 PolarHBondContact O-N 2.96Å
401	V	96.6	Very high	92.3	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-40.9	-179.6	167.4	0	0	0	0	112	M215 K240 F397 A398 K399 G405 L408	M215-V401 HydrophobicContact CB-CG1 4.36Å; K240-V401 HydrophobicContact CB-CG1 3.74Å; F397-V401 HydrophobicContact CD1-CG2 4.02Å; F397-V401 HydrophobicContact CD2-CG2 4.18Å; F397-V401 HydrophobicContact CE1-CG2 3.58Å; F397-V401 HydrophobicContact CE2-CG2 3.74Å; F397-V401 HydrophobicContact CG-CG2 4.33Å; F397-V401 HydrophobicContact CZ-CG2 3.44Å; F397-V401 VanDerWaalsContact CZ-CG2 3.44Å; F397-V401 WeakPolarHBondContact O-CB 3.26Å; F397-V401 WeakPolarHBondContact O-CG2 3.48Å; F397-V401 PolarHBondContact O-N 2.95Å; A398-V401 PolarHBondContact O-N 2.89Å; K399-V401 PolarHBondContact O-N 2.9Å; V401-G405 WeakPolarHBondContact O-CA 3.34Å; V401-G405 PolarHBondContact O-N 3.19Å; V401-L408 HydrophobicContact CG2-CD1 4.42Å
402	I	95.7	Very high	90.4	Very high	24 Å²	24	50.1 Å²	50.1	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-74	-45.2	-177.8	-66.8	-59.9	0	0	0	111.5	P140 Y169 P213 M215 A398 K399	P140-I402 HydrophobicContact CB-CD1 4.16Å; P140-I402 HydrophobicContact CB-CG1 4.24Å; P140-I402 HydrophobicContact CB-CG2 3.64Å; P140-I402 HydrophobicContact CG-CG2 3.52Å; Y169-I402 HydrophobicContact CE1-CG2 4.19Å; Y169-I402 HydrophobicContact CE2-CB 4.46Å; Y169-I402 HydrophobicContact CE2-CG1 4.14Å; P213-I402 HydrophobicContact CB-CD1 3.94Å; P213-I402 HydrophobicContact CG-CD1 4.2Å; P213-I402 HydrophobicContact CG-CG2 4.17Å; M215-I402 HydrophobicContact CB-CD1 4.44Å; M215-I402 HydrophobicContact CG-CD1 4.27Å; M215-I402 HydrophobicContact SD-CG1 4.41Å; A398-I402 WeakPolarHBondContact O-CB 3.4Å; A398-I402 WeakPolarHBondContact O-CG1 3.09Å; A398-I402 PolarHBondContact O-N 3.18Å; A398-I402 VanDerWaalsContact O-N 3.15Å; K399-I402 PolarHBondContact O-N 3.07Å
403	E	93.8	Very high	90.1	Very high	92 Å²	92	49.6 Å²	49.6	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-85.9	-38.4	-174.2	-63.7	178.2	-167	0	0	112.6	K399	K399-E403 VanDerWaalsContact CE-OE1 3.25Å; K399-E403 WeakPolarHBondContact CE-OE1 3.38Å; K399-E403 WeakPolarHBondContact CE-OE2 3.25Å; K399-E403 VanDerWaalsContact CG-CD 3.49Å; K399-E403 HydrophobicContact CG-CG 4.31Å; K399-E403 WeakPolarHBondContact CG-OE1 3.3Å; K399-E403 IonicContact NZ-OE2 3.11Å; K399-E403 WeakPolarHBondContact O-CB 3.36Å; K399-E403 PolarHBondContact O-N 3.05Å
404	E	93.3	Very high	89.6	Confident	69 Å²	69	52.2 Å²	52.2	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-114	5.3	-171.4	-63.7	-73.1	143.2	0	0	112.9	F68 A400 G406 R407	F68-E404 HydrophobicContact CE2-CB 3.74Å; F68-E404 HydrophobicContact CZ-CB 4.17Å; A400-E404 CarbonylContact O-C 3.5Å; A400-E404 VanDerWaalsContact O-CA 3.3Å; A400-E404 WeakPolarHBondContact O-CA 3.37Å; A400-E404 VanDerWaalsContact O-CB 3.27Å; A400-E404 WeakPolarHBondContact O-CB 3.45Å; A400-E404 PolarHBondContact O-N 3.04Å; E404-G406 PolarHBondContact O-N 3.31Å; E404-R407 WeakPolarHBondContact O-CB 3.25Å; E404-R407 PolarHBondContact O-N 2.96Å; E404-R407 WeakPolarHBondContact OE2-CD 3.27Å; E404-R407 IonicContact OE2-NH1 3.34Å; E404-R407 PolarHBondContact OE2-NH1 3.02Å
405	G	85.5	Confident	89.1	Confident	20 Å²	20	55.1 Å²	55.1	21%	0.206	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-58.8	-20.2	-175.3	0	0	0	0	0	114.8	A400 V401 R407 L408	A400-G405 PolarHBondContact O-N 2.96Å; V401-G405 WeakPolarHBondContact O-CA 3.34Å; V401-G405 PolarHBondContact O-N 3.19Å; G405-R407 PolarHBondContact O-N 2.92Å; G405-L408 WeakPolarHBondContact O-CB 3.47Å; G405-L408 PolarHBondContact O-N 3.42Å
406	G	85.3	Confident	88.6	Confident	53 Å²	53	54.8 Å²	54.8	55%	0.546	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-56.8	-30	170.9	0	0	0	0	0	113.2	E404 L408 K409	E404-G406 PolarHBondContact O-N 3.31Å; G406-L408 VanDerWaalsContact C-N 3.27Å; G406-L408 PolarHBondContact O-N 3.04Å; G406-K409 WeakPolarHBondContact O-CG 3.34Å; G406-K409 PolarHBondContact O-N 3.4Å
407	R	87.4	Confident	87.9	Confident	103 Å²	103	55.3 Å²	55.3	39%	0.389	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-74.2	-18.2	176.5	-61.9	171.5	63.4	-173.5	-2.8	112.8	K64 F68 E71 Q72 E404 G405 K409	K64-R407 WeakPolarHBondContact CE-O 3.43Å; K64-R407 PolarHBondContact NZ-O 3.48Å; F68-R407 HydrophobicContact CD2-CB 4.36Å; F68-R407 HydrophobicContact CE2-CB 4.48Å; E71-R407 IonicContact OE2-CZ 3.7Å; E71-R407 IonicContact OE2-NH1 3.91Å; E71-R407 IonicContact OE2-NH2 2.68Å; E71-R407 PolarHBondContact OE2-NH2 3.1Å; Q72-R407 VanDerWaalsContact NE2-NH1 3.13Å; E404-R407 WeakPolarHBondContact O-CB 3.25Å; E404-R407 PolarHBondContact O-N 2.96Å; E404-R407 WeakPolarHBondContact OE2-CD 3.27Å; E404-R407 IonicContact OE2-NH1 3.34Å; E404-R407 PolarHBondContact OE2-NH1 3.02Å; G405-R407 PolarHBondContact O-N 2.92Å; R407-K409 VanDerWaalsContact C-N 3.32Å
408	L	86.3	Confident	87.2	Confident	12 Å²	12	59 Å²	59	6%	0.063	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-90.5	7.4	177.9	-61.8	175.1	0	0	0	113.1	F65 F68 P337 V401 G405 G406 L411	F65-L408 HydrophobicContact CD2-CD2 3.72Å; F65-L408 HydrophobicContact CE2-CD1 4.48Å; F65-L408 HydrophobicContact CE2-CD2 4.27Å; F68-L408 HydrophobicContact CB-CD2 3.87Å; F68-L408 HydrophobicContact CD1-CD1 4.08Å; F68-L408 HydrophobicContact CD1-CD2 3.73Å; F68-L408 HydrophobicContact CD1-CG 4.24Å; F68-L408 HydrophobicContact CD2-CD1 4.5Å; F68-L408 HydrophobicContact CD2-CD2 3.75Å; F68-L408 HydrophobicContact CD2-CG 3.98Å; F68-L408 HydrophobicContact CE1-CD1 3.67Å; F68-L408 HydrophobicContact CE1-CD2 4.17Å; F68-L408 HydrophobicContact CE1-CG 4.18Å; F68-L408 HydrophobicContact CE2-CD1 4.1Å; F68-L408 HydrophobicContact CE2-CD2 4.17Å; F68-L408 HydrophobicContact CE2-CG 3.89Å; F68-L408 HydrophobicContact CG-CD1 4.47Å; F68-L408 HydrophobicContact CG-CD2 3.5Å; F68-L408 VanDerWaalsContact CG-CD2 3.5Å; F68-L408 HydrophobicContact CG-CG 4.14Å; F68-L408 HydrophobicContact CZ-CD1 3.67Å; F68-L408 HydrophobicContact CZ-CD2 4.36Å; F68-L408 HydrophobicContact CZ-CG 3.99Å; P337-L408 HydrophobicContact CB-CD1 3.81Å; P337-L408 HydrophobicContact CG-CB 3.69Å; P337-L408 HydrophobicContact CG-CD1 3.62Å; P337-L408 HydrophobicContact CG-CG 4.17Å; V401-L408 HydrophobicContact CG2-CD1 4.42Å; G405-L408 WeakPolarHBondContact O-CB 3.47Å; G405-L408 PolarHBondContact O-N 3.42Å; G406-L408 VanDerWaalsContact C-N 3.27Å; G406-L408 PolarHBondContact O-N 3.04Å; L408-L411 HydrophobicContact CD2-CD1 4.36Å; L408-L411 HydrophobicContact CD2-CD2 4.07Å; L408-L411 WeakPolarHBondContact O-CG 3.46Å
409	K	79.4	Confident	86.4	Confident	144 Å²	144	63.2 Å²	63.2	63%	0.626	34%	0.343	S	S	*	.	S	Bend	trans	-66.1	141.8	167.2	-66.7	-179.9	-179.9	-179.7	0	109.6	K64 G406 R407	K64-K409 PolarHBondContact NZ-O 3.41Å; G406-K409 WeakPolarHBondContact O-CG 3.34Å; G406-K409 PolarHBondContact O-N 3.4Å; R407-K409 VanDerWaalsContact C-N 3.32Å
410	D	75.7	Confident	85.5	Confident	126 Å²	126	60.7 Å²	60.7	67%	0.674	34%	0.337	S	S	*	.			trans	53.9	62.4	175.8	-47.3	-47.5	0	0	0	112.6	S412	D410-S412 VanDerWaalsContact C-N 3.26Å
411	L	77.8	Confident	84.5	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.073	36%	0.362	C	S	.	.			trans	-74.9	-17.9	171.4	-69.1	177.9	0	0	0	112.6	K64 F65 P337 P363 N364 L408	K64-L411 HydrophobicContact CB-CD2 3.97Å; K64-L411 HydrophobicContact CD-CD2 3.98Å; K64-L411 HydrophobicContact CG-CD2 3.89Å; F65-L411 HydrophobicContact CB-CD1 4.12Å; F65-L411 HydrophobicContact CB-CD2 4.06Å; F65-L411 HydrophobicContact CG-CD1 4.26Å; P337-L411 HydrophobicContact CB-CD1 4.39Å; P337-L411 HydrophobicContact CG-CD1 3.93Å; P363-L411 HydrophobicContact CB-CB 4.39Å; P363-L411 WeakPolarHBondContact CB-O 3.32Å; N364-L411 HydrophobicContact CB-CD1 4.49Å; L408-L411 HydrophobicContact CD2-CD1 4.36Å; L408-L411 HydrophobicContact CD2-CD2 4.07Å; L408-L411 WeakPolarHBondContact O-CG 3.46Å
412	S	56.9	Low	83.4	Confident	126 Å²	126	71.2 Å²	71.2	88%	0.881	39%	0.394	S	S	*	.			trans	-70.7	0	179.3	58	0	0	0	0	114.1	D410	D410-S412 VanDerWaalsContact C-N 3.26Å

Retrieved 412 of 412 residues in 286.5 ms (Link to these results)

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