A0A087XZU2_POEFO Loading...

Phosphatidylcholine-sterol acyltransferase

AlphaFold DB , UniProt , Accession A0A087XZU2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 434 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	41.9	Very low	44.1	Very low	253 Å²	253	120 Å²	120	100%	1.246	71%	0.711	S	S	*	*				0	109.8	0	-72.5	165.6	75	0	0	107.4
2	G	45.6	Very low	44.5	Very low	81 Å²	81	117.8 Å²	117.8	84%	0.835	69%	0.693	S	S	*	*			trans	144.2	90.8	-179	0	0	0	0	0	112.2
3	S	42.5	Very low	44.9	Very low	105 Å²	105	112 Å²	112	73%	0.734	67%	0.666	S	S	*	*	S	Bend	trans	-172.9	-17.2	160	-169.6	0	0	0	0	112.2
4	A	41.1	Very low	45.3	Very low	91 Å²	91	111.1 Å²	111.1	75%	0.752	66%	0.662	S	S	*	*	H	α-helix	trans	-79.4	-18.3	-177.6	0	0	0	0	0	114.3
5	G	39.4	Very low	45.6	Very low	47 Å²	47	109.1 Å²	109.1	49%	0.485	65%	0.65	S	S	.	*	H	α-helix	trans	-78.4	-37	-175.9	0	0	0	0	0	114.7
6	H	42.8	Very low	45.5	Very low	170 Å²	170	108 Å²	108	79%	0.787	64%	0.64	S	S	*	*	H	α-helix	trans	-82.4	-25.7	-173.9	-71.4	-16.2	0	0	0	114.1	C8 A10	H6-C8 VanDerWaalsContact C-N 3.31Å; H6-C8 PolarHBondContact O-N 3.33Å; H6-A10 PolarHBondContact O-N 3.47Å
7	M	39.5	Very low	45.3	Very low	135 Å²	135	108.5 Å²	108.5	67%	0.665	64%	0.638	S	S	*	*	H	α-helix	trans	-71.2	-29.1	178.4	-151.5	165.5	71.9	0	0	112	L11	M7-L11 HydrophobicContact CG-CD1 4.4Å; M7-L11 WeakPolarHBondContact O-CB 3.18Å; M7-L11 PolarHBondContact O-N 3.24Å; M7-L11 VanDerWaalsContact O-N 3.15Å
8	C	50.1	Low	44.8	Very low	83 Å²	83	105.3 Å²	105.3	56%	0.561	63%	0.632	S	S	*	*	H	α-helix	trans	-71.3	-39.4	179.1	-157.2	0	0	0	0	112.3	H6 L12	H6-C8 VanDerWaalsContact C-N 3.31Å; H6-C8 PolarHBondContact O-N 3.33Å; C8-L12 WeakPolarHBondContact O-CB 3.09Å; C8-L12 PolarHBondContact O-N 3.24Å
9	W	44.5	Very low	44.4	Very low	193 Å²	193	103.3 Å²	103.3	73%	0.731	62%	0.617	S	S	*	*	H	α-helix	trans	-73	-35.6	178.3	-77.5	86.9	0	0	0	113	L12 A13	W9-L12 PolarHBondContact O-N 2.78Å; W9-A13 VanDerWaalsContact O-CB 3.24Å; W9-A13 WeakPolarHBondContact O-CB 3.24Å; W9-A13 PolarHBondContact O-N 3.21Å
10	A	48.4	Very low	44	Very low	58 Å²	58	105.3 Å²	105.3	48%	0.479	62%	0.619	S	S	.	*	H	α-helix	trans	-68.2	-39.7	174.8	0	0	0	0	0	111.8	H6 A13 V14	H6-A10 PolarHBondContact O-N 3.47Å; A10-A13 PolarHBondContact O-N 2.73Å; A10-V14 WeakPolarHBondContact O-CB 3.41Å; A10-V14 WeakPolarHBondContact O-CG2 3.45Å; A10-V14 PolarHBondContact O-N 3.38Å
11	L	48.8	Very low	43.6	Very low	104 Å²	104	108.9 Å²	108.9	55%	0.545	63%	0.63	S	S	.	*	H	α-helix	trans	-67.1	-40	172.6	-94.6	146.5	0	0	0	112.1	M7 V14 V15	M7-L11 HydrophobicContact CG-CD1 4.4Å; M7-L11 WeakPolarHBondContact O-CB 3.18Å; M7-L11 PolarHBondContact O-N 3.24Å; M7-L11 VanDerWaalsContact O-N 3.15Å; L11-V14 PolarHBondContact O-N 2.86Å; L11-V15 VanDerWaalsContact O-CB 3.31Å; L11-V15 WeakPolarHBondContact O-CB 3.34Å; L11-V15 WeakPolarHBondContact O-CG2 3.31Å; L11-V15 PolarHBondContact O-N 3.47Å
12	L	48.9	Very low	43.3	Very low	94 Å²	94	99.8 Å²	99.8	49%	0.492	59%	0.591	S	S	.	*	H	α-helix	trans	-64.1	-42.4	174.8	-148.9	90.3	0	0	0	111.3	C8 W9 V15 L16	C8-L12 WeakPolarHBondContact O-CB 3.09Å; C8-L12 PolarHBondContact O-N 3.24Å; W9-L12 PolarHBondContact O-N 2.78Å; L12-V15 PolarHBondContact O-N 2.8Å; L12-L16 HydrophobicContact CD2-CD1 4.15Å; L12-L16 HydrophobicContact CG-CD1 4.25Å; L12-L16 VanDerWaalsContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CB 3.18Å; L12-L16 WeakPolarHBondContact O-CD1 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.16Å; L12-L16 PolarHBondContact O-N 3.26Å
13	A	49.9	Very low	43	Very low	42 Å²	42	101.7 Å²	101.7	35%	0.347	60%	0.599	S	S	.	*	H	α-helix	trans	-67.7	-38.7	177.1	0	0	0	0	0	112.1	W9 A10 L16 L17	W9-A13 VanDerWaalsContact O-CB 3.24Å; W9-A13 WeakPolarHBondContact O-CB 3.24Å; W9-A13 PolarHBondContact O-N 3.21Å; A10-A13 PolarHBondContact O-N 2.73Å; A13-L16 PolarHBondContact O-N 2.68Å; A13-L17 WeakPolarHBondContact O-CB 3.16Å; A13-L17 WeakPolarHBondContact O-CD1 3.3Å; A13-L17 WeakPolarHBondContact O-CG 3.37Å; A13-L17 PolarHBondContact O-N 2.8Å
14	V	50.8	Low	42.9	Very low	100 Å²	100	98.5 Å²	98.5	61%	0.606	58%	0.583	S	S	*	*	H	α-helix	trans	-71.2	-33.8	175.4	171	0	0	0	0	111.6	A10 L11 G18	A10-V14 WeakPolarHBondContact O-CB 3.41Å; A10-V14 WeakPolarHBondContact O-CG2 3.45Å; A10-V14 PolarHBondContact O-N 3.38Å; L11-V14 PolarHBondContact O-N 2.86Å; V14-G18 WeakPolarHBondContact O-CA 3.36Å; V14-G18 PolarHBondContact O-N 3.15Å
15	V	49.2	Very low	43.2	Very low	81 Å²	81	97.4 Å²	97.4	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-67.3	-45.5	170.8	168.3	0	0	0	0	110.1	L11 L12 G18 L19	L11-V15 VanDerWaalsContact O-CB 3.31Å; L11-V15 WeakPolarHBondContact O-CB 3.34Å; L11-V15 WeakPolarHBondContact O-CG2 3.31Å; L11-V15 PolarHBondContact O-N 3.47Å; L12-V15 PolarHBondContact O-N 2.8Å; V15-G18 PolarHBondContact O-N 2.89Å; V15-L19 HydrophobicContact CG1-CD1 3.58Å; V15-L19 HydrophobicContact CG1-CG 4.34Å; V15-L19 WeakPolarHBondContact O-CB 3.36Å; V15-L19 VanDerWaalsContact O-CD1 3.25Å; V15-L19 WeakPolarHBondContact O-CD1 3.43Å; V15-L19 WeakPolarHBondContact O-CG 3.3Å; V15-L19 PolarHBondContact O-N 3.47Å
16	L	45.2	Very low	43.5	Very low	91 Å²	91	99.9 Å²	99.9	48%	0.476	56%	0.556	S	S	.	*	H	α-helix	trans	-64.4	-41.9	176.4	-72.5	163.4	0	0	0	112.3	L12 A13 L19 H20	L12-L16 HydrophobicContact CD2-CD1 4.15Å; L12-L16 HydrophobicContact CG-CD1 4.25Å; L12-L16 VanDerWaalsContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CB 3.18Å; L12-L16 WeakPolarHBondContact O-CD1 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.16Å; L12-L16 PolarHBondContact O-N 3.26Å; A13-L16 PolarHBondContact O-N 2.68Å; L16-L19 PolarHBondContact O-N 3.43Å; L16-H20 PolarHBondContact O-CD2 2.86Å; L16-H20 PolarHBondContact O-N 3.42Å; L16-H20 VanDerWaalsContact O-N 3.13Å
17	L	41.2	Very low	43.6	Very low	116 Å²	116	96 Å²	96	61%	0.607	54%	0.54	S	S	*	.	H	α-helix	trans	-71.4	-33.4	176.1	-75.4	161.1	0	0	0	112.5	A13 L19	A13-L17 WeakPolarHBondContact O-CB 3.16Å; A13-L17 WeakPolarHBondContact O-CD1 3.3Å; A13-L17 WeakPolarHBondContact O-CG 3.37Å; A13-L17 PolarHBondContact O-N 2.8Å; L17-L19 VanDerWaalsContact C-N 3.34Å
18	G	36	Very low	44.1	Very low	52 Å²	52	92 Å²	92	54%	0.536	52%	0.523	S	S	.	.	H	α-helix	trans	-72.7	-28	172.7	0	0	0	0	0	113	V14 V15	V14-G18 WeakPolarHBondContact O-CA 3.36Å; V14-G18 PolarHBondContact O-N 3.15Å; V15-G18 PolarHBondContact O-N 2.89Å
19	L	37.5	Very low	43.9	Very low	66 Å²	66	90.7 Å²	90.7	35%	0.346	51%	0.51	S	S	.	.	H	α-helix	trans	-76.8	-26.7	175.7	-79.4	165.8	0	0	0	113	V15 L16 L17 H21 S22 F25	V15-L19 HydrophobicContact CG1-CD1 3.58Å; V15-L19 HydrophobicContact CG1-CG 4.34Å; V15-L19 WeakPolarHBondContact O-CB 3.36Å; V15-L19 VanDerWaalsContact O-CD1 3.25Å; V15-L19 WeakPolarHBondContact O-CD1 3.43Å; V15-L19 WeakPolarHBondContact O-CG 3.3Å; V15-L19 PolarHBondContact O-N 3.47Å; L16-L19 PolarHBondContact O-N 3.43Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L19-H21 PolarHBondContact O-N 3.42Å; L19-H21 VanDerWaalsContact O-N 3.15Å; L19-S22 PolarHBondContact O-N 2.76Å; L19-S22 PolarHBondContact O-OG 3.45Å; L19-F25 HydrophobicContact CB-CE2 3.6Å; L19-F25 HydrophobicContact CB-CZ 3.62Å; L19-F25 HydrophobicContact CD1-CZ 4.17Å; L19-F25 HydrophobicContact CD2-CE2 3.95Å; L19-F25 HydrophobicContact CD2-CZ 4.17Å; L19-F25 HydrophobicContact CG-CE2 4.27Å; L19-F25 HydrophobicContact CG-CZ 4.2Å; L19-F25 WeakPolarHBondContact O-CD2 3.49Å; L19-F25 WeakPolarHBondContact O-CE2 3.42Å
20	H	35.8	Very low	44.1	Very low	144 Å²	144	82 Å²	82	67%	0.667	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.7	176.5	-95.8	-73.5	0	0	0	114.8	L16	L16-H20 PolarHBondContact O-CD2 2.86Å; L16-H20 PolarHBondContact O-N 3.42Å; L16-H20 VanDerWaalsContact O-N 3.13Å
21	H	36.6	Very low	43.9	Very low	181 Å²	181	81.9 Å²	81.9	84%	0.838	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	3.6	-179.8	-80	-61.7	0	0	0	114.6	L19	L19-H21 PolarHBondContact O-N 3.42Å; L19-H21 VanDerWaalsContact O-N 3.15Å
22	S	35	Very low	43.8	Very low	61 Å²	61	84 Å²	84	43%	0.427	48%	0.477	S	S	.	.	S	Bend	trans	-103	133.2	174.3	62	0	0	0	0	110.3	L19 G24	L19-S22 PolarHBondContact O-N 2.76Å; L19-S22 PolarHBondContact O-OG 3.45Å; S22-G24 PolarHBondContact O-N 2.92Å
23	A	40.8	Very low	43.8	Very low	121 Å²	121	81.4 Å²	81.4	100%	1	47%	0.466	S	S	*	.	S	Bend	trans	-66.2	31.5	-177.9	0	0	0	0	0	114.8
24	G	39.6	Very low	43.7	Very low	39 Å²	39	82.8 Å²	82.8	40%	0.402	47%	0.471	S	S	.	.			trans	-120.2	18.4	-172.3	0	0	0	0	0	115.5	S22	S22-G24 PolarHBondContact O-N 2.92Å
25	F	46.6	Very low	43.6	Very low	68 Å²	68	83.7 Å²	83.7	30%	0.298	48%	0.482	S	S	.	.			trans	-101.5	17.5	-172.5	-94.2	-98.2	0	0	0	116.4	L19 I27 V28	L19-F25 HydrophobicContact CB-CE2 3.6Å; L19-F25 HydrophobicContact CB-CZ 3.62Å; L19-F25 HydrophobicContact CD1-CZ 4.17Å; L19-F25 HydrophobicContact CD2-CE2 3.95Å; L19-F25 HydrophobicContact CD2-CZ 4.17Å; L19-F25 HydrophobicContact CG-CE2 4.27Å; L19-F25 HydrophobicContact CG-CZ 4.2Å; L19-F25 WeakPolarHBondContact O-CD2 3.49Å; L19-F25 WeakPolarHBondContact O-CE2 3.42Å; F25-I27 PolarHBondContact O-N 3.42Å; F25-V28 HydrophobicContact CD1-CB 3.71Å; F25-V28 HydrophobicContact CD1-CG2 3.24Å; F25-V28 HydrophobicContact CE1-CB 4.26Å; F25-V28 HydrophobicContact CE1-CG2 3.31Å; F25-V28 HydrophobicContact CG-CG2 4.46Å; F25-V28 PolarHBondContact O-N 3.48Å
26	W	47.5	Very low	43.7	Very low	99 Å²	99	81.5 Å²	81.5	38%	0.375	47%	0.469	S	S	.	.	H	α-helix	trans	-54	-35.2	167.1	70	-88	0	0	0	111.5	V28 N29 V30 D252 L401	W26-V28 VanDerWaalsContact C-N 3.3Å; W26-V28 PolarHBondContact O-N 3Å; W26-N29 PolarHBondContact O-N 2.79Å; W26-V30 HydrophobicContact CE3-CB 4.44Å; W26-V30 HydrophobicContact CE3-CG2 3.79Å; W26-V30 HydrophobicContact CZ3-CG1 4.37Å; W26-V30 HydrophobicContact CZ3-CG2 4.19Å; W26-V30 WeakPolarHBondContact O-CB 3.35Å; W26-V30 VanDerWaalsContact O-CG2 3.25Å; W26-V30 WeakPolarHBondContact O-CG2 3.48Å; W26-V30 PolarHBondContact O-N 2.89Å; W26-V30 VanDerWaalsContact O-N 3.13Å; W26-D252 PolarHBondContact NE1-O 3.24Å; W26-L401 HydrophobicContact CB-CD1 3.73Å; W26-L401 HydrophobicContact CD2-CD1 4.1Å; W26-L401 HydrophobicContact CE3-CD1 4.07Å; W26-L401 HydrophobicContact CG-CD1 3.99Å
27	I	44.7	Very low	43.9	Very low	87 Å²	87	84.7 Å²	84.7	45%	0.446	48%	0.479	S	S	.	.	H	α-helix	trans	-64.8	-27.9	-177.6	-152.2	163.6	0	0	0	113.3	F25 V31	F25-I27 PolarHBondContact O-N 3.42Å; I27-V31 HydrophobicContact CG1-CG2 3.86Å; I27-V31 WeakPolarHBondContact O-CB 3.48Å; I27-V31 WeakPolarHBondContact O-CG2 3.49Å; I27-V31 PolarHBondContact O-N 2.99Å
28	V	48.9	Very low	44.2	Very low	51 Å²	51	85 Å²	85	31%	0.309	49%	0.486	S	S	.	.	H	α-helix	trans	-75.4	-40.3	179.2	165.5	0	0	0	0	111.9	F25 W26 V30 V31 F32	F25-V28 HydrophobicContact CD1-CB 3.71Å; F25-V28 HydrophobicContact CD1-CG2 3.24Å; F25-V28 HydrophobicContact CE1-CB 4.26Å; F25-V28 HydrophobicContact CE1-CG2 3.31Å; F25-V28 HydrophobicContact CG-CG2 4.46Å; F25-V28 PolarHBondContact O-N 3.48Å; W26-V28 VanDerWaalsContact C-N 3.3Å; W26-V28 PolarHBondContact O-N 3Å; V28-V30 PolarHBondContact O-N 3.17Å; V28-V31 PolarHBondContact O-N 2.85Å; V28-F32 HydrophobicContact CG1-CD2 4.26Å; V28-F32 WeakPolarHBondContact O-CA 3.31Å; V28-F32 WeakPolarHBondContact O-CB 3.25Å; V28-F32 PolarHBondContact O-N 2.83Å
29	N	45.5	Very low	45.2	Very low	56 Å²	56	86.6 Å²	86.6	30%	0.299	48%	0.478	S	S	.	.	H	α-helix	trans	-68.5	-29.9	175	-69.1	-20.2	0	0	0	111.5	W26 P33 D402	W26-N29 PolarHBondContact O-N 2.79Å; N29-P33 WeakPolarHBondContact O-CA 3.48Å; N29-D402 PolarHBondContact ND2-OD1 2.91Å
30	V	49.2	Very low	45.8	Very low	12 Å²	12	90.7 Å²	90.7	7%	0.073	50%	0.499	C	S	.	.	H	α-helix	trans	-73.6	-38.5	174	162.1	0	0	0	0	112.8	W26 V28 A141 G142 F405	W26-V30 HydrophobicContact CE3-CB 4.44Å; W26-V30 HydrophobicContact CE3-CG2 3.79Å; W26-V30 HydrophobicContact CZ3-CG1 4.37Å; W26-V30 HydrophobicContact CZ3-CG2 4.19Å; W26-V30 WeakPolarHBondContact O-CB 3.35Å; W26-V30 VanDerWaalsContact O-CG2 3.25Å; W26-V30 WeakPolarHBondContact O-CG2 3.48Å; W26-V30 PolarHBondContact O-N 2.89Å; W26-V30 VanDerWaalsContact O-N 3.13Å; V28-V30 PolarHBondContact O-N 3.17Å; V30-A141 HydrophobicContact CG1-CB 4.25Å; V30-G142 WeakPolarHBondContact CA-O 3.35Å; V30-G142 WeakPolarHBondContact CB-O 3.37Å; V30-G142 VanDerWaalsContact CG1-O 3.32Å; V30-G142 WeakPolarHBondContact CG1-O 3.26Å; V30-G142 WeakPolarHBondContact CG2-O 3.48Å; V30-G142 WeakPolarHBondContact O-CA 3.47Å; V30-G142 PolarHBondContact O-N 2.95Å; V30-F405 HydrophobicContact CG2-CE2 4.09Å; V30-F405 HydrophobicContact CG2-CZ 3.83Å
31	V	44.4	Very low	46.7	Very low	54 Å²	54	87.9 Å²	87.9	33%	0.327	49%	0.493	S	S	.	.	H	α-helix	trans	-87.8	-30.8	-178	174.8	0	0	0	0	112.3	I27 V28 P33 L140	I27-V31 HydrophobicContact CG1-CG2 3.86Å; I27-V31 WeakPolarHBondContact O-CB 3.48Å; I27-V31 WeakPolarHBondContact O-CG2 3.49Å; I27-V31 PolarHBondContact O-N 2.99Å; V28-V31 PolarHBondContact O-N 2.85Å; V31-P33 VanDerWaalsContact C-CD 3.47Å; V31-L140 WeakPolarHBondContact CA-O 3.31Å; V31-L140 VanDerWaalsContact CG2-O 3.3Å; V31-L140 WeakPolarHBondContact CG2-O 3.17Å
32	F	46.8	Very low	47.5	Very low	148 Å²	148	81.4 Å²	81.4	65%	0.649	47%	0.468	S	S	*	.	S	Bend	trans	-128.4	69.5	180	-57.7	-73.3	0	0	0	111	V28	V28-F32 HydrophobicContact CG1-CD2 4.26Å; V28-F32 WeakPolarHBondContact O-CA 3.31Å; V28-F32 WeakPolarHBondContact O-CB 3.25Å; V28-F32 PolarHBondContact O-N 2.83Å
33	P	49.1	Very low	48.6	Very low	41 Å²	41	86.5 Å²	86.5	27%	0.266	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-59.4	136.3	-179.9	20.5	-29.8	0	0	0	111.4	N29 V31 T146	N29-P33 WeakPolarHBondContact O-CA 3.48Å; V31-P33 VanDerWaalsContact C-CD 3.47Å; P33-T146 WeakPolarHBondContact CB-OG1 3.44Å
34	P	48.6	Very low	49.8	Very low	71 Å²	71	86.6 Å²	86.6	46%	0.461	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-63.2	140.4	-179.2	22.1	-30.7	0	0	0	111.5	T36 T146	P34-T36 PolarHBondContact O-N 2.72Å; P34-T146 HydrophobicContact CG-CG2 4.49Å
35	S	47.3	Very low	51.7	Low	119 Å²	119	85.8 Å²	85.8	83%	0.832	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-66	130.3	-179.8	67.4	0	0	0	0	110.9
36	T	51.4	Low	53.9	Low	34 Å²	34	83.2 Å²	83.2	21%	0.209	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-89	141.1	175.9	56.5	0	0	0	0	110.5	P34 T146 H150 N153	P34-T36 PolarHBondContact O-N 2.72Å; T36-T146 HydrophobicContact CG2-CG2 4.16Å; T36-H150 HydrophobicContact CG2-CB 3.92Å; T36-N153 PolarHBondContact OG1-ND2 3.18Å
37	K	50	Low	56.2	Low	159 Å²	159	78.6 Å²	78.6	69%	0.691	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-79.8	136.1	178.1	-67.3	176.2	-175.6	163.2	0	110.3	K39	K37-K39 PolarHBondContact O-N 2.71Å
38	T	47.6	Very low	58.8	Low	122 Å²	122	74.4 Å²	74.4	75%	0.748	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-63.2	130.5	175	-30.1	0	0	0	0	110.4
39	K	55.7	Low	61.1	Low	86 Å²	86	72 Å²	72	37%	0.374	40%	0.399	S	S	.	.			trans	-125.6	167.4	173.7	-72.3	-179.4	-171	168.9	0	110.2	K37 V154 N411	K37-K39 PolarHBondContact O-N 2.71Å; K39-V154 HydrophobicContact CB-CG1 4.16Å; K39-N411 PolarHBondContact NZ-OD1 3.12Å
40	I	51.9	Low	63.7	Low	152 Å²	152	69.3 Å²	69.3	78%	0.779	38%	0.384	S	S	*	.			trans	-70.7	128.9	-174.6	-57.9	172.9	0	0	0	109.8
41	P	54.4	Low	66.1	Low	84 Å²	84	68.8 Å²	68.8	55%	0.545	38%	0.381	S	S	.	.			trans	-61.2	141.2	177.3	-21.5	31.8	0	0	0	112.9
42	S	53.5	Low	68.6	Low	46 Å²	46	66.2 Å²	66.2	32%	0.322	37%	0.365	S	S	.	.			trans	-107.9	121.4	170.3	175.6	0	0	0	0	110.4	N44	S42-N44 PolarHBondContact O-N 3.21Å; S42-N44 VanDerWaalsContact O-N 3.13Å
43	N	56.3	Low	71	Confident	167 Å²	167	59.2 Å²	59.2	89%	0.893	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	4.1	-179.6	-74.7	-10.6	0	0	0	114
44	N	67.1	Low	73.2	Confident	123 Å²	123	59.5 Å²	59.5	66%	0.658	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	22	-173.5	-154.5	25	0	0	0	115.3	S42 K196	S42-N44 PolarHBondContact O-N 3.21Å; S42-N44 VanDerWaalsContact O-N 3.13Å; N44-K196 VanDerWaalsContact CA-NZ 3.3Å; N44-K196 PolarHBondContact O-NZ 2.95Å; N44-K196 VanDerWaalsContact OD1-CE 3.28Å; N44-K196 WeakPolarHBondContact OD1-CE 3.04Å; N44-K196 PolarHBondContact OD1-NZ 2.87Å
45	T	80.1	Confident	75.3	Confident	23 Å²	23	58.3 Å²	58.3	14%	0.141	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-73	143.9	-178.3	55	0	0	0	0	113	Y156 K196	T45-Y156 HydrophobicContact CG2-CE2 4.07Å; T45-K196 PolarHBondContact O-NZ 2.9Å
46	S	91.4	Very high	77.6	Confident	14 Å²	14	52.7 Å²	52.7	10%	0.098	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-77.3	144.8	172.3	-93.3	0	0	0	0	110.2	Y156 P197	S46-Y156 WeakPolarHBondContact O-CE1 3.38Å; S46-Y156 PolarHBondContact O-OH 3.3Å; S46-P197 WeakPolarHBondContact CB-O 3.17Å; S46-P197 PolarHBondContact OG-O 3.36Å; S46-P197 VanDerWaalsContact OG-O 3.08Å
47	P	96.5	Very high	79.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-62	151.2	176.3	-16.9	29.6	0	0	0	111.8	T161 M190 Y194 V198 Y199	P47-T161 CarbonylContact C-O 3.53Å; P47-T161 WeakPolarHBondContact CA-O 3.48Å; P47-M190 HydrophobicContact CB-CB 4.28Å; P47-M190 HydrophobicContact CB-CE 3.36Å; P47-Y194 HydrophobicContact CB-CD2 3.98Å; P47-Y194 HydrophobicContact CG-CD2 3.44Å; P47-Y194 VanDerWaalsContact CG-CD2 3.44Å; P47-Y194 HydrophobicContact CG-CE2 4.41Å; P47-Y194 HydrophobicContact CG-CG 3.79Å; P47-V198 HydrophobicContact CB-CG2 4.29Å; P47-Y199 PolarHBondContact O-N 3.18Å
48	L	98.4	Very high	82	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.2	-178.2	177.8	67.4	0	0	0	111	I50 L151 Y156 T161 V162 R163 Y199 L201 L417	L48-I50 HydrophobicContact CD2-CD1 4.37Å; L48-I50 HydrophobicContact CD2-CG1 4.08Å; L48-I50 HydrophobicContact CG-CG1 4.22Å; L48-L151 HydrophobicContact CD2-CD1 3.5Å; L48-L151 VanDerWaalsContact CD2-CD1 3.5Å; L48-Y156 HydrophobicContact CB-CE1 4.09Å; L48-T161 PolarHBondContact N-O 2.81Å; L48-V162 HydrophobicContact CD2-CG2 4.33Å; L48-V162 WeakPolarHBondContact O-CA 3.26Å; L48-R163 PolarHBondContact O-N 3.18Å; L48-Y199 WeakPolarHBondContact CA-O 3.15Å; L48-L201 HydrophobicContact CD1-CB 3.81Å; L48-L417 HydrophobicContact CD1-CD2 4.29Å; L48-L417 HydrophobicContact CD2-CD1 4.16Å
49	I	98.9	Very high	84.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	166.8	-61.8	169.1	0	0	0	109.1	R163 A165 L183 L186 V187 M190 V198 Y199 L200 L201	I49-R163 CarbonylContact C-O 3.6Å; I49-R163 WeakPolarHBondContact CA-O 3.29Å; I49-R163 HydrophobicContact CG1-CB 4.34Å; I49-A165 HydrophobicContact CG2-CB 3.59Å; I49-L183 HydrophobicContact CD1-CD1 4.38Å; I49-L183 HydrophobicContact CG2-CD1 3.98Å; I49-L186 HydrophobicContact CD1-CB 4.42Å; I49-L186 HydrophobicContact CD1-CD2 3.94Å; I49-L186 HydrophobicContact CD1-CG 3.81Å; I49-L186 HydrophobicContact CG1-CD2 4.17Å; I49-L186 HydrophobicContact CG1-CG 4.36Å; I49-L186 HydrophobicContact CG2-CD2 4.2Å; I49-V187 HydrophobicContact CD1-CB 4.41Å; I49-V187 HydrophobicContact CD1-CG2 3.53Å; I49-M190 HydrophobicContact CD1-SD 3.63Å; I49-M190 HydrophobicContact CG1-CE 4.11Å; I49-M190 HydrophobicContact CG1-SD 3.31Å; I49-M190 WeakPolarHBondContact CG1-SD 3.44Å; I49-V198 HydrophobicContact CD1-CG1 3.82Å; I49-V198 HydrophobicContact CG1-CG1 3.83Å; I49-Y199 PolarHBondContact N-O 3.38Å; I49-L200 HydrophobicContact CB-CD2 3.9Å; I49-L200 HydrophobicContact CD1-CD2 4.13Å; I49-L200 HydrophobicContact CG2-CD2 4.4Å; I49-L201 PolarHBondContact O-N 2.84Å
50	I	98.9	Very high	86.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124	176.5	-60.8	173	0	0	0	109.6	L48 I132 F144 T147 V148 V162 R163 A165 L201	L48-I50 HydrophobicContact CD2-CD1 4.37Å; L48-I50 HydrophobicContact CD2-CG1 4.08Å; L48-I50 HydrophobicContact CG-CG1 4.22Å; I50-I132 HydrophobicContact CB-CD1 3.71Å; I50-I132 HydrophobicContact CD1-CD1 4.31Å; I50-I132 HydrophobicContact CG2-CD1 3.65Å; I50-F144 HydrophobicContact CD1-CD1 4.19Å; I50-F144 HydrophobicContact CG2-CD1 3.73Å; I50-F144 HydrophobicContact CG2-CD2 3.96Å; I50-F144 HydrophobicContact CG2-CE1 3.51Å; I50-F144 HydrophobicContact CG2-CE2 3.74Å; I50-F144 HydrophobicContact CG2-CG 3.93Å; I50-F144 HydrophobicContact CG2-CZ 3.5Å; I50-T147 HydrophobicContact CD1-CG2 4.3Å; I50-V148 HydrophobicContact CD1-CG2 4.02Å; I50-V162 HydrophobicContact CD1-CG2 3.91Å; I50-V162 HydrophobicContact CG1-CG2 4.44Å; I50-R163 PolarHBondContact N-O 2.76Å; I50-A165 PolarHBondContact O-N 3.16Å; I50-L201 CarbonylContact C-O 3.53Å; I50-L201 WeakPolarHBondContact CA-O 3.2Å; I50-L201 HydrophobicContact CG2-CD2 4.14Å
51	V	98.9	Very high	88.5	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112	173.4	-176.8	0	0	0	0	108.4	A165 Y167 Y179 L201 G202 H203 V210	V51-A165 HydrophobicContact CG2-CB 4.22Å; V51-Y167 HydrophobicContact CG1-CD1 4.27Å; V51-Y167 HydrophobicContact CG1-CE1 3.82Å; V51-Y179 WeakPolarHBondContact CG1-OH 3.45Å; V51-L201 PolarHBondContact N-O 2.87Å; V51-G202 WeakPolarHBondContact O-CA 3.31Å; V51-H203 PolarHBondContact O-N 2.91Å; V51-V210 HydrophobicContact CB-CG2 3.84Å; V51-V210 HydrophobicContact CG1-CG2 4.29Å; V51-V210 HydrophobicContact CG2-CG2 3.59Å
52	P	98.6	Very high	90.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.			trans	-72	169.2	-174.4	31.2	-36.2	0	0	0	113.1	G56 N57 I132 Y143 F144 Y167 G206	P52-G56 WeakPolarHBondContact CB-O 3.28Å; P52-N57 HydrophobicContact CG-CB 4.05Å; P52-N57 WeakPolarHBondContact CG-OD1 3.28Å; P52-I132 HydrophobicContact CB-CG2 4.17Å; P52-I132 HydrophobicContact CG-CG2 3.88Å; P52-Y143 HydrophobicContact CB-CE1 3.93Å; P52-F144 HydrophobicContact CB-CE2 4.11Å; P52-Y167 HydrophobicContact CG-CD1 4.32Å; P52-Y167 HydrophobicContact CG-CE1 4.05Å; P52-Y167 VanDerWaalsContact O-CE1 3.31Å; P52-Y167 WeakPolarHBondContact O-CE1 3.13Å; P52-Y167 PolarHBondContact O-OH 3.23Å; P52-Y167 VanDerWaalsContact O-OH 3.08Å; P52-G206 WeakPolarHBondContact O-CA 3.29Å; P52-G206 PolarHBondContact O-N 3.41Å
53	G	97.1	Very high	92.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	13%	0.133	C	C	.	.			trans	-86.7	-168.7	176.5	0	0	0	0	0	112.5	L55 G56 Y143 H203	G53-L55 PolarHBondContact O-N 3.13Å; G53-G56 WeakPolarHBondContact O-CA 3.42Å; G53-G56 PolarHBondContact O-N 3.08Å; G53-Y143 PolarHBondContact N-OH 2.96Å; G53-H203 WeakPolarHBondContact CA-O 3.34Å; G53-H203 PolarHBondContact N-O 2.83Å
54	N	94.6	Very high	94.6	Very high	47 Å²	47	21.3 Å²	21.3	25%	0.251	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	140.1	171.1	-168.4	23.3	0	0	0	110.2	G56 M205	N54-G56 PolarHBondContact O-N 3.32Å; N54-M205 HydrophobicContact CB-CB 4.35Å; N54-M205 HydrophobicContact CB-CE 3.63Å; N54-M205 HydrophobicContact CB-SD 4.2Å
55	L	92.8	Very high	96	Very high	46 Å²	46	15.9 Å²	15.9	24%	0.241	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	7.6	-173.7	-51.5	-178.6	0	0	0	115.1	G53 N57 W84 W169 M269	G53-L55 PolarHBondContact O-N 3.13Å; L55-N57 VanDerWaalsContact C-N 3.33Å; L55-N57 PolarHBondContact O-N 3.29Å; L55-W84 HydrophobicContact CB-CZ2 3.65Å; L55-W84 HydrophobicContact CD1-CH2 3.98Å; L55-W84 HydrophobicContact CD1-CZ2 3.88Å; L55-W84 HydrophobicContact CD2-CH2 4.32Å; L55-W84 HydrophobicContact CD2-CZ2 4.05Å; L55-W84 HydrophobicContact CG-CZ2 4.07Å; L55-W84 PolarHBondContact O-NE1 3.32Å; L55-W169 HydrophobicContact CD2-CD2 4.12Å; L55-W169 HydrophobicContact CD2-CE3 3.7Å; L55-W169 HydrophobicContact CD2-CH2 3.22Å; L55-W169 HydrophobicContact CD2-CZ2 3.63Å; L55-W169 HydrophobicContact CD2-CZ3 3.27Å; L55-M269 HydrophobicContact CD2-CE 4.24Å
56	G	94.7	Very high	96.7	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.021	10%	0.101	C	C	.	.			trans	-87.3	8.7	-165.4	0	0	0	0	0	115.7	P52 G53 N54 L135 Y143	P52-G56 WeakPolarHBondContact CB-O 3.28Å; G53-G56 WeakPolarHBondContact O-CA 3.42Å; G53-G56 PolarHBondContact O-N 3.08Å; N54-G56 PolarHBondContact O-N 3.32Å; G56-L135 VanDerWaalsContact C-CD2 3.45Å; G56-Y143 VanDerWaalsContact CA-CE1 3.42Å; G56-Y143 VanDerWaalsContact O-CD1 3.28Å; G56-Y143 WeakPolarHBondContact O-CD1 3Å; G56-Y143 WeakPolarHBondContact O-CE1 3.3Å
57	N	97.7	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-148.2	158.9	170.6	62.2	-104.6	0	0	0	112.3	P52 L55 W84 S131 I132 P166 Y167 W169	P52-N57 HydrophobicContact CG-CB 4.05Å; P52-N57 WeakPolarHBondContact CG-OD1 3.28Å; L55-N57 VanDerWaalsContact C-N 3.33Å; L55-N57 PolarHBondContact O-N 3.29Å; N57-W84 VanDerWaalsContact O-CD1 3.28Å; N57-S131 VanDerWaalsContact CA-O 3.29Å; N57-S131 WeakPolarHBondContact CA-O 3.38Å; N57-I132 HydrophobicContact CB-CG2 3.97Å; N57-P166 HydrophobicContact CB-CB 3.52Å; N57-P166 VanDerWaalsContact CG-CB 3.45Å; N57-Y167 PolarHBondContact ND2-O 3.19Å; N57-Y167 PolarHBondContact OD1-N 2.87Å; N57-Y167 VanDerWaalsContact OD1-N 3.14Å; N57-Y167 PolarHBondContact OD1-O 3.43Å; N57-W169 PolarHBondContact O-NE1 2.96Å
58	R	96.6	Very high	96.5	Very high	15 Å²	15	26.2 Å²	26.2	6%	0.057	14%	0.143	C	C	.	.			trans	-60.2	149.7	176	-60.7	-175.6	-164.3	-165.9	0.1	112.6	W84 P124 S131 F134 L135 D136	R58-W84 WeakPolarHBondContact CA-O 3.49Å; R58-P124 HydrophobicContact CB-CG 3.83Å; R58-P124 WeakPolarHBondContact O-CD 3.41Å; R58-S131 PolarHBondContact N-O 2.89Å; R58-S131 VanDerWaalsContact N-O 3.09Å; R58-F134 VanDerWaalsContact CZ-O 3.26Å; R58-F134 PolarHBondContact NE-O 2.83Å; R58-F134 PolarHBondContact NH2-O 2.93Å; R58-L135 WeakPolarHBondContact CG-O 3.24Å; R58-D136 PolarHBondContact NH2-O 3.29Å
59	L	97.4	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.6	162.7	-65	179.1	0	0	0	108.8	L83 W84 V121 V123 W169 R170	L59-L83 HydrophobicContact CB-CB 4.09Å; L59-L83 HydrophobicContact CB-CD2 4.23Å; L59-L83 WeakPolarHBondContact O-CA 3.44Å; L59-L83 WeakPolarHBondContact O-CB 3.22Å; L59-L83 PolarHBondContact O-N 3.29Å; L59-W84 HydrophobicContact CB-CB 4.13Å; L59-W84 HydrophobicContact CG-CB 4.49Å; L59-W84 PolarHBondContact N-O 3.3Å; L59-W84 VanDerWaalsContact N-O 3.1Å; L59-W84 PolarHBondContact O-N 2.97Å; L59-W84 VanDerWaalsContact O-N 3.11Å; L59-V121 HydrophobicContact CB-CG1 4.3Å; L59-V121 HydrophobicContact CD1-CG1 4.43Å; L59-V121 HydrophobicContact CD2-CG1 4.36Å; L59-V123 HydrophobicContact CD2-CG2 3.81Å; L59-W169 HydrophobicContact CD1-CD2 4.4Å; L59-W169 HydrophobicContact CD1-CH2 4.21Å; L59-W169 HydrophobicContact CD1-CZ2 3.57Å; L59-W169 HydrophobicContact CG-CZ2 4.23Å; L59-R170 HydrophobicContact CD1-CG 4.29Å
60	E	97.6	Very high	95.5	Very high	19 Å²	19	32.8 Å²	32.8	9%	0.089	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.9	172.1	-71.8	179.9	163.6	0	0	110.2	W80 F81 V121 R122 P124 Y137	E60-W80 HydrophobicContact CB-CB 4.38Å; E60-W80 HydrophobicContact CB-CE3 4.08Å; E60-F81 CarbonylContact C-O 3.55Å; E60-F81 VanDerWaalsContact CA-O 3.22Å; E60-F81 WeakPolarHBondContact CA-O 3.36Å; E60-V121 CarbonylContact O-C 3.58Å; E60-V121 WeakPolarHBondContact O-CA 3.35Å; E60-R122 HydrophobicContact CB-CG 4Å; E60-R122 PolarHBondContact N-O 3.4Å; E60-R122 PolarHBondContact O-N 3.04Å; E60-R122 IonicContact OE2-CZ 3.9Å; E60-R122 IonicContact OE2-NE 3.81Å; E60-R122 PolarHBondContact OE2-NE 2.75Å; E60-R122 IonicContact OE2-NH2 3.47Å; E60-R122 PolarHBondContact OE2-NH2 3.38Å; E60-P124 HydrophobicContact CG-CB 4.47Å; E60-P124 HydrophobicContact CG-CG 4.08Å; E60-Y137 WeakPolarHBondContact CG-OH 3.38Å; E60-Y137 PolarHBondContact OE1-OH 3.22Å
61	A	97.4	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.1	176.2	0	0	0	0	0	112.3	W80 F81 L83 V119 Q120	A61-W80 CarbonylContact O-C 3.58Å; A61-W80 WeakPolarHBondContact O-CA 3.06Å; A61-F81 HydrophobicContact CB-CE1 3.94Å; A61-F81 HydrophobicContact CB-CE2 4.2Å; A61-F81 HydrophobicContact CB-CZ 3.72Å; A61-F81 PolarHBondContact N-O 3.41Å; A61-F81 WeakPolarHBondContact O-CD1 3.3Å; A61-F81 WeakPolarHBondContact O-CE1 3.29Å; A61-F81 PolarHBondContact O-N 2.92Å; A61-L83 HydrophobicContact CB-CB 3.92Å; A61-L83 HydrophobicContact CB-CD1 4.01Å; A61-L83 HydrophobicContact CB-CD2 4.16Å; A61-L83 HydrophobicContact CB-CG 4.25Å; A61-V119 HydrophobicContact CB-CG1 4.44Å; A61-Q120 CarbonylContact C-O 3.56Å; A61-Q120 VanDerWaalsContact CA-O 3.23Å; A61-Q120 WeakPolarHBondContact CA-O 3.49Å
62	K	97.6	Very high	94.4	Very high	71 Å²	71	47.7 Å²	47.7	31%	0.309	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.1	162.6	-176.5	172.8	178.7	163.2	0	108	E78 W80 Q120	K62-E78 WeakPolarHBondContact CE-O 3.38Å; K62-E78 PolarHBondContact NZ-O 3.37Å; K62-W80 HydrophobicContact CB-CD2 3.87Å; K62-W80 HydrophobicContact CB-CE3 3.81Å; K62-W80 HydrophobicContact CB-CG 4.47Å; K62-W80 HydrophobicContact CB-CH2 4.22Å; K62-W80 HydrophobicContact CB-CZ2 4.27Å; K62-W80 HydrophobicContact CB-CZ3 3.99Å; K62-Q120 PolarHBondContact N-O 3.23Å; K62-Q120 PolarHBondContact O-N 2.7Å
63	I	96.9	Very high	94	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.1	-169.8	65	-179.6	0	0	0	112.5	K65 Y74 K76 T77 F81 G118 V119	I63-K65 HydrophobicContact CB-CD 4.5Å; I63-K65 HydrophobicContact CB-CG 4.22Å; I63-K65 HydrophobicContact CD1-CD 4.43Å; I63-Y74 WeakPolarHBondContact CD1-O 3.42Å; I63-K76 CarbonylContact O-C 3.58Å; I63-K76 VanDerWaalsContact O-CA 3.23Å; I63-K76 WeakPolarHBondContact O-CA 3.28Å; I63-T77 HydrophobicContact CD1-CG2 4.02Å; I63-T77 HydrophobicContact CG1-CG2 3.69Å; I63-T77 PolarHBondContact N-OG1 3.05Å; I63-T77 PolarHBondContact O-N 3.11Å; I63-F81 HydrophobicContact CD1-CE1 4.11Å; I63-F81 HydrophobicContact CD1-CZ 4.2Å; I63-F81 HydrophobicContact CG1-CE1 4.06Å; I63-F81 HydrophobicContact CG2-CE1 4.02Å; I63-F81 HydrophobicContact CG2-CZ 4.1Å; I63-G118 CarbonylContact C-O 3.31Å; I63-G118 WeakPolarHBondContact CA-O 3.31Å; I63-V119 HydrophobicContact CG2-CB 4.36Å; I63-V119 HydrophobicContact CG2-CG1 4.04Å; I63-V119 HydrophobicContact CG2-CG2 3.96Å
64	D	97.2	Very high	93.6	Very high	83 Å²	83	56.1 Å²	56.1	44%	0.444	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-150.3	73.5	168.2	-164.9	-2.1	0	0	0	107.9	K75 K76 G118	D64-K75 CarbonylContact C-O 3.59Å; D64-K75 WeakPolarHBondContact CA-O 2.96Å; D64-K76 HydrophobicContact CB-CG 4.3Å; D64-K76 IonicContact OD1-NZ 2.87Å; D64-K76 WeakPolarHBondContact OD2-CE 3.44Å; D64-K76 IonicContact OD2-NZ 2.85Å; D64-K76 PolarHBondContact OD2-NZ 3.21Å; D64-G118 PolarHBondContact N-O 3.38Å; D64-G118 VanDerWaalsContact O-CA 3.25Å; D64-G118 WeakPolarHBondContact O-CA 3.45Å
65	K	95.9	Very high	93.5	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.035	28%	0.284	C	S	.	.			trans	-82.2	141	-166.8	-62.6	172.8	72.6	80.8	0	111.7	I63 T67 K75 D100 N101 V119	I63-K65 HydrophobicContact CB-CD 4.5Å; I63-K65 HydrophobicContact CB-CG 4.22Å; I63-K65 HydrophobicContact CD1-CD 4.43Å; K65-T67 WeakPolarHBondContact CB-O 3.33Å; K65-K75 PolarHBondContact N-O 2.94Å; K65-K75 WeakPolarHBondContact O-CE 3.32Å; K65-K75 VanDerWaalsContact O-CG 3.29Å; K65-K75 WeakPolarHBondContact O-CG 3.48Å; K65-D100 WeakPolarHBondContact CE-OD2 3.48Å; K65-D100 VanDerWaalsContact NZ-CG 3.3Å; K65-D100 PolarHBondContact NZ-O 2.76Å; K65-D100 IonicContact NZ-OD1 2.99Å; K65-D100 IonicContact NZ-OD2 3.6Å; K65-D100 PolarHBondContact NZ-OD2 2.86Å; K65-N101 WeakPolarHBondContact CD-OD1 3.33Å; K65-N101 PolarHBondContact NZ-OD1 3.17Å; K65-N101 VanDerWaalsContact NZ-OD1 3.11Å; K65-V119 HydrophobicContact CG-CG2 4.33Å
66	P	95	Very high	93.7	Very high	83 Å²	83	63.2 Å²	63.2	54%	0.539	30%	0.299	S	S	.	.	S	Bend	trans	-69.1	-38.1	175.6	27.7	-33.3	0	0	0	112	P117	P66-P117 HydrophobicContact CG-CB 4.17Å
67	T	93.5	Very high	93.7	Very high	104 Å²	104	64.5 Å²	64.5	64%	0.638	31%	0.307	S	S	*	.	S	Bend	trans	-133.8	162.4	-175.8	54.5	0	0	0	0	110.9	K65	K65-T67 WeakPolarHBondContact CB-O 3.33Å
68	L	91.3	Very high	93.6	Very high	69 Å²	69	72.3 Å²	72.3	36%	0.361	34%	0.343	S	S	.	.			trans	-121.4	139	177.5	-63.4	178.5	0	0	0	109.4	C73 K75	L68-C73 WeakPolarHBondContact CD1-O 3.47Å; L68-C73 HydrophobicContact CD2-CB 4.1Å; L68-K75 HydrophobicContact CD1-CB 4.27Å; L68-K75 HydrophobicContact CD2-CB 3.94Å; L68-K75 HydrophobicContact CD2-CG 4.29Å; L68-K75 HydrophobicContact CG-CB 4.36Å
69	V	89.7	Confident	93.5	Very high	82 Å²	82	77.4 Å²	77.4	50%	0.497	37%	0.371	S	S	.	.	S	Bend	trans	-76.2	-27	172.2	-66.6	0	0	0	0	112.4	D96 D100	V69-D96 HydrophobicContact CG2-CB 4.37Å; V69-D100 HydrophobicContact CG1-CB 3.87Å; V69-D100 VanDerWaalsContact CG1-CG 3.49Å; V69-D100 HydrophobicContact CG2-CB 3.85Å
70	H	86.8	Confident	93.5	Very high	55 Å²	55	81 Å²	81	26%	0.255	39%	0.385	S	S	.	.	S	Bend	trans	-147.5	150.9	177	-168.3	-98.7	0	0	0	110.8	F72 C73	H70-F72 WeakPolarHBondContact ND1-CB 3.46Å; H70-F72 PolarHBondContact ND1-N 3.31Å; H70-F72 PolarHBondContact O-N 3.39Å; H70-C73 WeakPolarHBondContact O-CB 3.41Å; H70-C73 PolarHBondContact O-N 2.88Å; H70-C73 VanDerWaalsContact O-N 3.08Å
71	W	85.8	Confident	93.4	Very high	205 Å²	205	82.1 Å²	82.1	78%	0.777	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.9	-176.5	66.6	-93.5	0	0	0	113.7
72	F	87.4	Confident	93.2	Very high	109 Å²	109	83.6 Å²	83.6	48%	0.478	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-19.2	177.4	-171.4	-99.1	0	0	0	113.1	H70 I93	H70-F72 WeakPolarHBondContact ND1-CB 3.46Å; H70-F72 PolarHBondContact ND1-N 3.31Å; H70-F72 PolarHBondContact O-N 3.39Å; F72-I93 HydrophobicContact CB-CG2 3.74Å; F72-I93 HydrophobicContact CD1-CG2 3.82Å; F72-I93 HydrophobicContact CG-CG2 3.9Å
73	C	90.2	Very high	93	Very high	8 Å²	8	80.2 Å²	80.2	5%	0.054	38%	0.384	C	S	.	.	S	Bend	trans	-73.6	136.6	-176.6	-55.8	0	0	0	0	111.4	L68 H70 K75 C97	L68-C73 WeakPolarHBondContact CD1-O 3.47Å; L68-C73 HydrophobicContact CD2-CB 4.1Å; H70-C73 WeakPolarHBondContact O-CB 3.41Å; H70-C73 PolarHBondContact O-N 2.88Å; H70-C73 VanDerWaalsContact O-N 3.08Å; C73-K75 PolarHBondContact O-N 3.42Å; C73-C97 WeakPolarHBondContact CA-SG 3.27Å; C73-C97 HydrophobicContact CB-CB 3.8Å; C73-C97 WeakPolarHBondContact CB-SG 3.32Å; C73-C97 WeakPolarHBondContact SG-CA 3.38Å; C73-C97 WeakPolarHBondContact SG-CB 3.41Å; C73-C97 CovalentContact SG-SG 2.04Å; C73-C97 PolarHBondContact SG-SG 3.1Å
74	Y	90	Very high	92.7	Very high	169 Å²	169	80.9 Å²	80.9	66%	0.663	39%	0.387	S	S	*	.			trans	-64.6	129.8	173.6	-65.3	-69.7	0	0	0	110.6	I63	I63-Y74 WeakPolarHBondContact CD1-O 3.42Å
75	K	92.6	Very high	92	Very high	112 Å²	112	77.8 Å²	77.8	49%	0.487	37%	0.37	S	S	.	.	S	Bend	trans	-79.8	-38.5	174.6	-168.9	171.2	176.2	170.8	0	112.3	D64 K65 L68 C73	D64-K75 CarbonylContact C-O 3.59Å; D64-K75 WeakPolarHBondContact CA-O 2.96Å; K65-K75 PolarHBondContact N-O 2.94Å; K65-K75 WeakPolarHBondContact O-CE 3.32Å; K65-K75 VanDerWaalsContact O-CG 3.29Å; K65-K75 WeakPolarHBondContact O-CG 3.48Å; L68-K75 HydrophobicContact CD1-CB 4.27Å; L68-K75 HydrophobicContact CD2-CB 3.94Å; L68-K75 HydrophobicContact CD2-CG 4.29Å; L68-K75 HydrophobicContact CG-CB 4.36Å; C73-K75 PolarHBondContact O-N 3.42Å
76	K	95.8	Very high	91.4	Very high	131 Å²	131	79.5 Å²	79.5	57%	0.57	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-144.2	141.9	-174.2	-174	170.4	-176.1	142.6	0	111	I63 D64	I63-K76 CarbonylContact O-C 3.58Å; I63-K76 VanDerWaalsContact O-CA 3.23Å; I63-K76 WeakPolarHBondContact O-CA 3.28Å; D64-K76 HydrophobicContact CB-CG 4.3Å; D64-K76 IonicContact OD1-NZ 2.87Å; D64-K76 WeakPolarHBondContact OD2-CE 3.44Å; D64-K76 IonicContact OD2-NZ 2.85Å; D64-K76 PolarHBondContact OD2-NZ 3.21Å
77	T	95.9	Very high	90.5	Very high	28 Å²	28	79.2 Å²	79.2	17%	0.172	37%	0.373	C	S	.	.			trans	-125	141.6	171.2	62.7	0	0	0	0	111	I63 N79 F81	I63-T77 HydrophobicContact CD1-CG2 4.02Å; I63-T77 HydrophobicContact CG1-CG2 3.69Å; I63-T77 PolarHBondContact N-OG1 3.05Å; I63-T77 PolarHBondContact O-N 3.11Å; T77-N79 PolarHBondContact OG1-O 3.24Å; T77-F81 HydrophobicContact CG2-CD1 3.85Å; T77-F81 HydrophobicContact CG2-CE1 3.84Å
78	E	94.5	Very high	89.6	Confident	164 Å²	164	79.9 Å²	79.9	77%	0.766	37%	0.373	S	S	*	.	S	Bend	trans	-77.5	-40.2	175.5	-63.9	-172.4	164.9	0	0	111.4	K62	K62-E78 WeakPolarHBondContact CE-O 3.38Å; K62-E78 PolarHBondContact NZ-O 3.37Å
79	N	96	Very high	88.8	Confident	122 Å²	122	77.7 Å²	77.7	65%	0.652	36%	0.361	S	S	*	.	S	Bend	trans	-108	163	-177.2	-63.5	-42.8	0	0	0	111.8	T77	T77-N79 PolarHBondContact OG1-O 3.24Å
80	W	96.6	Very high	87.8	Confident	76 Å²	76	75.1 Å²	75.1	29%	0.288	34%	0.343	S	S	.	.			trans	-67.7	137.9	166.9	-65.8	91.5	0	0	0	109.4	E60 A61 K62 Q120 R122	E60-W80 HydrophobicContact CB-CB 4.38Å; E60-W80 HydrophobicContact CB-CE3 4.08Å; A61-W80 CarbonylContact O-C 3.58Å; A61-W80 WeakPolarHBondContact O-CA 3.06Å; K62-W80 HydrophobicContact CB-CD2 3.87Å; K62-W80 HydrophobicContact CB-CE3 3.81Å; K62-W80 HydrophobicContact CB-CG 4.47Å; K62-W80 HydrophobicContact CB-CH2 4.22Å; K62-W80 HydrophobicContact CB-CZ2 4.27Å; K62-W80 HydrophobicContact CB-CZ3 3.99Å; W80-Q120 HydrophobicContact CH2-CB 3.75Å; W80-Q120 HydrophobicContact CZ3-CB 4.22Å; W80-Q120 WeakPolarHBondContact CZ3-O 3.43Å; W80-R122 HydrophobicContact CD2-CG 4.13Å; W80-R122 HydrophobicContact CE3-CB 4.46Å; W80-R122 HydrophobicContact CE3-CG 3.65Å; W80-R122 VanDerWaalsContact CG-CZ 3.42Å; W80-R122 HydrophobicContact CH2-CB 3.98Å; W80-R122 HydrophobicContact CH2-CG 3.97Å; W80-R122 HydrophobicContact CZ2-CG 4.41Å; W80-R122 HydrophobicContact CZ3-CB 3.88Å; W80-R122 HydrophobicContact CZ3-CG 3.56Å
81	F	94.6	Very high	87.2	Confident	43 Å²	43	78.4 Å²	78.4	19%	0.189	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	158.6	175.5	67.3	-87.5	0	0	0	110.2	E60 A61 I63 T77 L83 M89	E60-F81 CarbonylContact C-O 3.55Å; E60-F81 VanDerWaalsContact CA-O 3.22Å; E60-F81 WeakPolarHBondContact CA-O 3.36Å; A61-F81 HydrophobicContact CB-CE1 3.94Å; A61-F81 HydrophobicContact CB-CE2 4.2Å; A61-F81 HydrophobicContact CB-CZ 3.72Å; A61-F81 PolarHBondContact N-O 3.41Å; A61-F81 WeakPolarHBondContact O-CD1 3.3Å; A61-F81 WeakPolarHBondContact O-CE1 3.29Å; A61-F81 PolarHBondContact O-N 2.92Å; I63-F81 HydrophobicContact CD1-CE1 4.11Å; I63-F81 HydrophobicContact CD1-CZ 4.2Å; I63-F81 HydrophobicContact CG1-CE1 4.06Å; I63-F81 HydrophobicContact CG2-CE1 4.02Å; I63-F81 HydrophobicContact CG2-CZ 4.1Å; T77-F81 HydrophobicContact CG2-CD1 3.85Å; T77-F81 HydrophobicContact CG2-CE1 3.84Å; F81-L83 PolarHBondContact O-N 3.47Å; F81-M89 HydrophobicContact CD2-CE 4.05Å; F81-M89 HydrophobicContact CE2-CE 3.88Å
82	P	93.4	Very high	86.4	Confident	30 Å²	30	72.5 Å²	72.5	20%	0.195	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	120.5	178.4	-16.4	30	0	0	0	110.2	D86 M89 Y137	P82-D86 HydrophobicContact CB-CB 4.36Å; P82-M89 WeakPolarHBondContact O-CE 3.29Å; P82-Y137 HydrophobicContact CB-CD2 3.92Å; P82-Y137 HydrophobicContact CB-CE2 3.6Å; P82-Y137 HydrophobicContact CG-CD1 4.47Å; P82-Y137 HydrophobicContact CG-CD2 3.61Å; P82-Y137 HydrophobicContact CG-CE1 4.31Å; P82-Y137 HydrophobicContact CG-CE2 3.44Å; P82-Y137 VanDerWaalsContact CG-CE2 3.44Å; P82-Y137 HydrophobicContact CG-CG 4.16Å
83	L	93.5	Very high	85.7	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-33.3	171.4	-177	65.3	0	0	0	111.1	L59 A61 F81 W98 N101 I102 V121	L59-L83 HydrophobicContact CB-CB 4.09Å; L59-L83 HydrophobicContact CB-CD2 4.23Å; L59-L83 WeakPolarHBondContact O-CA 3.44Å; L59-L83 WeakPolarHBondContact O-CB 3.22Å; L59-L83 PolarHBondContact O-N 3.29Å; A61-L83 HydrophobicContact CB-CB 3.92Å; A61-L83 HydrophobicContact CB-CD1 4.01Å; A61-L83 HydrophobicContact CB-CD2 4.16Å; A61-L83 HydrophobicContact CB-CG 4.25Å; F81-L83 PolarHBondContact O-N 3.47Å; L83-W98 PolarHBondContact O-NE1 2.91Å; L83-N101 HydrophobicContact CD1-CB 3.98Å; L83-I102 HydrophobicContact CD1-CB 4Å; L83-I102 HydrophobicContact CD1-CG1 4.43Å; L83-I102 HydrophobicContact CD2-CB 4.22Å; L83-I102 HydrophobicContact CD2-CD1 4.36Å; L83-I102 HydrophobicContact CD2-CG1 3.87Å; L83-I102 HydrophobicContact CG-CB 4.2Å; L83-I102 HydrophobicContact CG-CD1 4.16Å; L83-I102 HydrophobicContact CG-CG1 4.07Å; L83-V121 HydrophobicContact CD2-CB 4.49Å; L83-V121 HydrophobicContact CD2-CG1 3.9Å; L83-V121 HydrophobicContact CD2-CG2 3.75Å
84	W	91.9	Very high	85.4	Confident	18 Å²	18	71.3 Å²	71.3	7%	0.068	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	128.7	175.4	178.9	-100.9	0	0	0	110.2	L55 N57 R58 L59 F90 W98 W169	L55-W84 HydrophobicContact CB-CZ2 3.65Å; L55-W84 HydrophobicContact CD1-CH2 3.98Å; L55-W84 HydrophobicContact CD1-CZ2 3.88Å; L55-W84 HydrophobicContact CD2-CH2 4.32Å; L55-W84 HydrophobicContact CD2-CZ2 4.05Å; L55-W84 HydrophobicContact CG-CZ2 4.07Å; L55-W84 PolarHBondContact O-NE1 3.32Å; N57-W84 VanDerWaalsContact O-CD1 3.28Å; R58-W84 WeakPolarHBondContact CA-O 3.49Å; L59-W84 HydrophobicContact CB-CB 4.13Å; L59-W84 HydrophobicContact CG-CB 4.49Å; L59-W84 PolarHBondContact N-O 3.3Å; L59-W84 VanDerWaalsContact N-O 3.1Å; L59-W84 PolarHBondContact O-N 2.97Å; L59-W84 VanDerWaalsContact O-N 3.11Å; W84-F90 HydrophobicContact CZ3-CZ 4.04Å; W84-W98 AromaticContact CE3-CZ2 3.8Å; W84-W98 HydrophobicContact CE3-CZ2 3.8Å; W84-W98 HydrophobicContact CZ3-CH2 4.45Å; W84-W98 AromaticContact CZ3-CZ2 3.95Å; W84-W98 HydrophobicContact CZ3-CZ2 3.95Å; W84-W169 HydrophobicContact CB-CZ2 3.92Å; W84-W169 AromaticContact CD1-CZ2 3.73Å; W84-W169 AromaticContact CD1-NE1 3.98Å; W84-W169 AromaticContact CD2-CZ2 3.99Å; W84-W169 HydrophobicContact CD2-CZ2 3.99Å; W84-W169 HydrophobicContact CG-CH2 4.48Å; W84-W169 AromaticContact CG-CZ2 3.6Å; W84-W169 HydrophobicContact CG-CZ2 3.6Å
85	I	82.1	Confident	85.1	Confident	17 Å²	17	63.5 Å²	63.5	9%	0.087	32%	0.318	C	S	.	.			cis	-100.9	131.2	-15.6	-155.7	175.4	0	0	0	109.7	L87 F90 L135 D136 A141	I85-L87 HydrophobicContact CD1-CD2 4.2Å; I85-L87 HydrophobicContact CG1-CD2 4.42Å; I85-L87 HydrophobicContact CG2-CD2 4.44Å; I85-F90 HydrophobicContact CD1-CE2 3.47Å; I85-F90 VanDerWaalsContact CD1-CE2 3.47Å; I85-F90 HydrophobicContact CD1-CZ 3.61Å; I85-F90 HydrophobicContact CG1-CE2 3.57Å; I85-F90 HydrophobicContact CG1-CZ 3.69Å; I85-L135 HydrophobicContact CG2-CB 3.96Å; I85-L135 PolarHBondContact N-O 3.39Å; I85-D136 HydrophobicContact CG2-CB 3.66Å; I85-A141 HydrophobicContact CG2-CB 4.42Å
86	D	82.5	Confident	84.9	Confident	44 Å²	44	60.5 Å²	60.5	24%	0.235	31%	0.308	C	S	.	.			trans	-114.9	110.9	166.9	175	5.4	0	0	0	107.7	P82 N88 M89	P82-D86 HydrophobicContact CB-CB 4.36Å; D86-N88 PolarHBondContact O-N 2.85Å; D86-N88 VanDerWaalsContact O-N 3.16Å; D86-N88 WeakPolarHBondContact OD1-CB 3.44Å; D86-N88 PolarHBondContact OD1-N 2.81Å; D86-N88 PolarHBondContact OD1-ND2 3.41Å; D86-M89 HydrophobicContact CB-CE 3.8Å; D86-M89 HydrophobicContact CB-CG 3.78Å; D86-M89 HydrophobicContact CB-SD 3.75Å; D86-M89 WeakPolarHBondContact O-CB 3.42Å; D86-M89 WeakPolarHBondContact O-CG 3.37Å; D86-M89 PolarHBondContact O-N 2.7Å
87	L	76.7	Confident	84.6	Confident	78 Å²	78	55 Å²	55	41%	0.408	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23.7	-174.2	-58.9	178.7	0	0	0	112.5	I85 M89 F90 L140	I85-L87 HydrophobicContact CD1-CD2 4.2Å; I85-L87 HydrophobicContact CG1-CD2 4.42Å; I85-L87 HydrophobicContact CG2-CD2 4.44Å; L87-M89 PolarHBondContact O-N 2.93Å; L87-F90 HydrophobicContact CD2-CD2 4.3Å; L87-F90 HydrophobicContact CD2-CE2 4.1Å; L87-F90 PolarHBondContact O-N 2.77Å; L87-L140 HydrophobicContact CD1-CD1 4.21Å
88	N	75.3	Confident	84.4	Confident	117 Å²	117	54.2 Å²	54.2	63%	0.626	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-67.1	-19.7	175.5	-58.2	-61.2	0	0	0	112.1	D86 F90 M91	D86-N88 PolarHBondContact O-N 2.85Å; D86-N88 VanDerWaalsContact O-N 3.16Å; D86-N88 WeakPolarHBondContact OD1-CB 3.44Å; D86-N88 PolarHBondContact OD1-N 2.81Å; D86-N88 PolarHBondContact OD1-ND2 3.41Å; N88-F90 VanDerWaalsContact C-N 3.27Å; N88-F90 PolarHBondContact O-N 3.36Å; N88-M91 WeakPolarHBondContact O-CG 3.48Å; N88-M91 PolarHBondContact O-N 3.3Å
89	M	72.7	Confident	84.2	Confident	24 Å²	24	46.9 Å²	46.9	12%	0.118	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-72.8	-17.2	178.7	-61.2	-178.2	171.8	0	0	113.1	F81 P82 D86 L87 M91 G94 V95 W98	F81-M89 HydrophobicContact CD2-CE 4.05Å; F81-M89 HydrophobicContact CE2-CE 3.88Å; P82-M89 WeakPolarHBondContact O-CE 3.29Å; D86-M89 HydrophobicContact CB-CE 3.8Å; D86-M89 HydrophobicContact CB-CG 3.78Å; D86-M89 HydrophobicContact CB-SD 3.75Å; D86-M89 WeakPolarHBondContact O-CB 3.42Å; D86-M89 WeakPolarHBondContact O-CG 3.37Å; D86-M89 PolarHBondContact O-N 2.7Å; L87-M89 PolarHBondContact O-N 2.93Å; M89-M91 VanDerWaalsContact C-N 3.27Å; M89-M91 PolarHBondContact O-N 2.95Å; M89-G94 CarbonylContact O-C 3.57Å; M89-V95 WeakPolarHBondContact O-CA 3.49Å; M89-V95 VanDerWaalsContact O-CG2 3.3Å; M89-V95 WeakPolarHBondContact O-CG2 3.44Å; M89-V95 PolarHBondContact O-N 3.5Å; M89-W98 HydrophobicContact CB-CB 4.1Å; M89-W98 HydrophobicContact CB-CG 4.3Å; M89-W98 HydrophobicContact CG-CB 4.45Å; M89-W98 HydrophobicContact SD-CB 4.1Å; M89-W98 HydrophobicContact SD-CG 3.9Å
90	F	70.3	Confident	84.1	Confident	27 Å²	27	41.6 Å²	41.6	12%	0.118	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-83.1	1.7	177.1	-59.6	-58.5	0	0	0	114.3	W84 I85 L87 N88 I254 L257	W84-F90 HydrophobicContact CZ3-CZ 4.04Å; I85-F90 HydrophobicContact CD1-CE2 3.47Å; I85-F90 VanDerWaalsContact CD1-CE2 3.47Å; I85-F90 HydrophobicContact CD1-CZ 3.61Å; I85-F90 HydrophobicContact CG1-CE2 3.57Å; I85-F90 HydrophobicContact CG1-CZ 3.69Å; L87-F90 HydrophobicContact CD2-CD2 4.3Å; L87-F90 HydrophobicContact CD2-CE2 4.1Å; L87-F90 PolarHBondContact O-N 2.77Å; N88-F90 VanDerWaalsContact C-N 3.27Å; N88-F90 PolarHBondContact O-N 3.36Å; F90-I254 HydrophobicContact CB-CG2 4.11Å; F90-I254 HydrophobicContact CD1-CD1 4.4Å; F90-I254 HydrophobicContact CD1-CG2 3.72Å; F90-I254 HydrophobicContact CD2-CG2 4.37Å; F90-I254 HydrophobicContact CE1-CD1 3.85Å; F90-I254 HydrophobicContact CE1-CG2 4.24Å; F90-I254 HydrophobicContact CG-CG2 3.8Å; F90-I254 HydrophobicContact CZ-CD1 4.04Å; F90-L257 HydrophobicContact CD1-CD2 4.4Å
91	M	73.3	Confident	83.9	Confident	124 Å²	124	38.6 Å²	38.6	61%	0.611	21%	0.207	S	C	*	.	S	Bend	trans	-66.5	144.5	167.6	-67	-63.4	-65.5	0	0	109.9	N88 M89 I93 G94 V95	N88-M91 WeakPolarHBondContact O-CG 3.48Å; N88-M91 PolarHBondContact O-N 3.3Å; M89-M91 VanDerWaalsContact C-N 3.27Å; M89-M91 PolarHBondContact O-N 2.95Å; M91-I93 VanDerWaalsContact C-N 3.25Å; M91-I93 PolarHBondContact O-N 3.44Å; M91-G94 WeakPolarHBondContact O-CA 3.46Å; M91-G94 PolarHBondContact O-N 3.36Å; M91-V95 PolarHBondContact O-N 3.32Å
92	P	69.8	Low	83.9	Confident	81 Å²	81	36.6 Å²	36.6	53%	0.526	20%	0.198	S	C	.	.	H	α-helix	trans	-50.6	-35.8	-170.2	-31.8	35.4	0	0	0	116.2
93	I	72.1	Confident	83.9	Confident	80 Å²	80	39.2 Å²	39.2	41%	0.41	20%	0.204	S	C	.	.	H	α-helix	trans	-85.1	-26.9	177.7	-57.2	174.3	0	0	0	112	F72 M91	F72-I93 HydrophobicContact CB-CG2 3.74Å; F72-I93 HydrophobicContact CD1-CG2 3.82Å; F72-I93 HydrophobicContact CG-CG2 3.9Å; M91-I93 VanDerWaalsContact C-N 3.25Å; M91-I93 PolarHBondContact O-N 3.44Å
94	G	83.1	Confident	84	Confident	12 Å²	12	39.4 Å²	39.4	12%	0.124	21%	0.205	C	C	.	.	H	α-helix	trans	-69.5	-32.5	179.5	0	0	0	0	0	113	M89 M91 D96 C97 W98	M89-G94 CarbonylContact O-C 3.57Å; M91-G94 WeakPolarHBondContact O-CA 3.46Å; M91-G94 PolarHBondContact O-N 3.36Å; G94-D96 PolarHBondContact O-N 3.46Å; G94-C97 PolarHBondContact O-N 3.3Å; G94-W98 PolarHBondContact O-N 3.13Å
95	V	85.4	Confident	84.2	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-45.2	-178	174.1	0	0	0	0	111	M89 M91 C97 W98 I99 L257 K261	M89-V95 WeakPolarHBondContact O-CA 3.49Å; M89-V95 VanDerWaalsContact O-CG2 3.3Å; M89-V95 WeakPolarHBondContact O-CG2 3.44Å; M89-V95 PolarHBondContact O-N 3.5Å; M91-V95 PolarHBondContact O-N 3.32Å; V95-C97 VanDerWaalsContact C-N 3.31Å; V95-C97 PolarHBondContact O-N 2.92Å; V95-W98 PolarHBondContact O-N 3.33Å; V95-W98 VanDerWaalsContact O-N 3.13Å; V95-I99 HydrophobicContact CG1-CD1 3.71Å; V95-I99 HydrophobicContact CG1-CG1 4.08Å; V95-I99 VanDerWaalsContact O-CG1 3.3Å; V95-I99 WeakPolarHBondContact O-CG1 3.37Å; V95-I99 PolarHBondContact O-N 3Å; V95-L257 HydrophobicContact CB-CD1 4.38Å; V95-L257 HydrophobicContact CG1-CD1 3.52Å; V95-L257 HydrophobicContact CG2-CD1 3.95Å; V95-K261 HydrophobicContact CG1-CG 3.98Å
96	D	87.8	Confident	84.9	Confident	50 Å²	50	41.3 Å²	41.3	27%	0.267	22%	0.218	S	C	.	.	H	α-helix	trans	-57.4	-44.7	177.7	-78.9	-43.2	0	0	0	112.3	V69 G94 W98 D100 K261	V69-D96 HydrophobicContact CG2-CB 4.37Å; G94-D96 PolarHBondContact O-N 3.46Å; D96-W98 VanDerWaalsContact C-N 3.33Å; D96-D100 WeakPolarHBondContact O-CB 3.13Å; D96-D100 PolarHBondContact O-N 3.41Å; D96-D100 VanDerWaalsContact O-N 3.11Å; D96-K261 WeakPolarHBondContact OD1-CE 3.33Å; D96-K261 IonicContact OD1-NZ 2.76Å; D96-K261 PolarHBondContact OD1-NZ 2.98Å
97	C	90.4	Very high	85.5	Confident	16 Å²	16	42.7 Å²	42.7	11%	0.108	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-38.4	178.3	-55	0	0	0	0	111.6	C73 G94 V95 N101	C73-C97 WeakPolarHBondContact CA-SG 3.27Å; C73-C97 HydrophobicContact CB-CB 3.8Å; C73-C97 WeakPolarHBondContact CB-SG 3.32Å; C73-C97 WeakPolarHBondContact SG-CA 3.38Å; C73-C97 WeakPolarHBondContact SG-CB 3.41Å; C73-C97 CovalentContact SG-SG 2.04Å; C73-C97 PolarHBondContact SG-SG 3.1Å; G94-C97 PolarHBondContact O-N 3.3Å; V95-C97 VanDerWaalsContact C-N 3.31Å; V95-C97 PolarHBondContact O-N 2.92Å; C97-N101 WeakPolarHBondContact O-CB 3Å; C97-N101 PolarHBondContact O-N 3.04Å; C97-N101 PolarHBondContact O-ND2 3.09Å
98	W	91.1	Very high	86.4	Confident	11 Å²	11	44.1 Å²	44.1	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-49.7	177.9	174.1	72.5	0	0	0	111.8	L83 W84 M89 G94 V95 D96 D100 N101 I102 I262 E265	L83-W98 PolarHBondContact O-NE1 2.91Å; W84-W98 AromaticContact CE3-CZ2 3.8Å; W84-W98 HydrophobicContact CE3-CZ2 3.8Å; W84-W98 HydrophobicContact CZ3-CH2 4.45Å; W84-W98 AromaticContact CZ3-CZ2 3.95Å; W84-W98 HydrophobicContact CZ3-CZ2 3.95Å; M89-W98 HydrophobicContact CB-CB 4.1Å; M89-W98 HydrophobicContact CB-CG 4.3Å; M89-W98 HydrophobicContact CG-CB 4.45Å; M89-W98 HydrophobicContact SD-CB 4.1Å; M89-W98 HydrophobicContact SD-CG 3.9Å; G94-W98 PolarHBondContact O-N 3.13Å; V95-W98 PolarHBondContact O-N 3.33Å; V95-W98 VanDerWaalsContact O-N 3.13Å; D96-W98 VanDerWaalsContact C-N 3.33Å; W98-D100 VanDerWaalsContact C-N 3.31Å; W98-D100 PolarHBondContact O-N 2.7Å; W98-N101 CarbonylContact O-C 3.56Å; W98-N101 WeakPolarHBondContact O-CA 3.47Å; W98-N101 PolarHBondContact O-N 3.41Å; W98-I102 HydrophobicContact CD2-CG2 4.06Å; W98-I102 HydrophobicContact CE3-CG2 4.36Å; W98-I102 HydrophobicContact CH2-CD1 4.47Å; W98-I102 HydrophobicContact CH2-CG2 4.22Å; W98-I102 HydrophobicContact CZ2-CD1 3.49Å; W98-I102 VanDerWaalsContact CZ2-CD1 3.49Å; W98-I102 HydrophobicContact CZ2-CG2 3.94Å; W98-I102 HydrophobicContact CZ3-CG2 4.42Å; W98-I102 WeakPolarHBondContact O-CG2 3.36Å; W98-I102 PolarHBondContact O-N 2.91Å; W98-I262 HydrophobicContact CH2-CD1 3.88Å; W98-I262 HydrophobicContact CZ3-CD1 3.52Å; W98-E265 HydrophobicContact CH2-CG 3.91Å; W98-E265 HydrophobicContact CZ3-CB 4.35Å; W98-E265 HydrophobicContact CZ3-CG 3.81Å
99	I	90.8	Very high	87.4	Confident	10 Å²	10	44.9 Å²	44.9	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-55	-47.3	177.4	-67.2	-177.5	0	0	0	110.5	V95 N101 I102 R103 K261 E264 E265	V95-I99 HydrophobicContact CG1-CD1 3.71Å; V95-I99 HydrophobicContact CG1-CG1 4.08Å; V95-I99 VanDerWaalsContact O-CG1 3.3Å; V95-I99 WeakPolarHBondContact O-CG1 3.37Å; V95-I99 PolarHBondContact O-N 3Å; I99-N101 PolarHBondContact O-N 3.45Å; I99-I102 PolarHBondContact O-N 2.86Å; I99-R103 VanDerWaalsContact O-CB 3.28Å; I99-R103 WeakPolarHBondContact O-CB 3.17Å; I99-R103 WeakPolarHBondContact O-CG 3.32Å; I99-R103 PolarHBondContact O-N 3.27Å; I99-K261 HydrophobicContact CD1-CD 3.97Å; I99-K261 HydrophobicContact CD1-CG 3.89Å; I99-K261 VanDerWaalsContact CD1-O 3.27Å; I99-K261 WeakPolarHBondContact CD1-O 3.31Å; I99-E264 HydrophobicContact CG2-CB 4.41Å; I99-E265 HydrophobicContact CB-CB 4.36Å; I99-E265 HydrophobicContact CD1-CB 4.22Å; I99-E265 HydrophobicContact CG1-CB 3.85Å; I99-E265 HydrophobicContact CG1-CG 4.23Å; I99-E265 HydrophobicContact CG2-CB 3.99Å; I99-E265 HydrophobicContact CG2-CG 4.48Å
100	D	92.1	Very high	88.5	Confident	11 Å²	11	47.5 Å²	47.5	6%	0.059	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-16.3	179.9	-173.8	48	0	0	0	113.7	K65 V69 D96 W98 R103 S116	K65-D100 WeakPolarHBondContact CE-OD2 3.48Å; K65-D100 VanDerWaalsContact NZ-CG 3.3Å; K65-D100 PolarHBondContact NZ-O 2.76Å; K65-D100 IonicContact NZ-OD1 2.99Å; K65-D100 IonicContact NZ-OD2 3.6Å; K65-D100 PolarHBondContact NZ-OD2 2.86Å; V69-D100 HydrophobicContact CG1-CB 3.87Å; V69-D100 VanDerWaalsContact CG1-CG 3.49Å; V69-D100 HydrophobicContact CG2-CB 3.85Å; D96-D100 WeakPolarHBondContact O-CB 3.13Å; D96-D100 PolarHBondContact O-N 3.41Å; D96-D100 VanDerWaalsContact O-N 3.11Å; W98-D100 VanDerWaalsContact C-N 3.31Å; W98-D100 PolarHBondContact O-N 2.7Å; D100-R103 IonicContact OD1-CZ 3.21Å; D100-R103 VanDerWaalsContact OD1-CZ 3.31Å; D100-R103 IonicContact OD1-NE 3.42Å; D100-R103 PolarHBondContact OD1-NE 2.9Å; D100-R103 IonicContact OD1-NH2 3.85Å; D100-R103 PolarHBondContact OD1-NH2 2.82Å; D100-S116 WeakPolarHBondContact O-CB 3.31Å; D100-S116 PolarHBondContact O-OG 3.13Å
101	N	94.1	Very high	89.7	Confident	13 Å²	13	49.6 Å²	49.6	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-93	-43.2	174.6	-70.3	-22.4	0	0	0	112.3	K65 L83 C97 W98 I99	K65-N101 WeakPolarHBondContact CD-OD1 3.33Å; K65-N101 PolarHBondContact NZ-OD1 3.17Å; K65-N101 VanDerWaalsContact NZ-OD1 3.11Å; L83-N101 HydrophobicContact CD1-CB 3.98Å; C97-N101 WeakPolarHBondContact O-CB 3Å; C97-N101 PolarHBondContact O-N 3.04Å; C97-N101 PolarHBondContact O-ND2 3.09Å; W98-N101 CarbonylContact O-C 3.56Å; W98-N101 WeakPolarHBondContact O-CA 3.47Å; W98-N101 PolarHBondContact O-N 3.41Å; I99-N101 PolarHBondContact O-N 3.45Å
102	I	93.7	Very high	90.7	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-82.9	-24.5	-173.4	-161.8	167.3	0	0	0	113.2	L83 W98 I99 W169 R170 E265	L83-I102 HydrophobicContact CD1-CB 4Å; L83-I102 HydrophobicContact CD1-CG1 4.43Å; L83-I102 HydrophobicContact CD2-CB 4.22Å; L83-I102 HydrophobicContact CD2-CD1 4.36Å; L83-I102 HydrophobicContact CD2-CG1 3.87Å; L83-I102 HydrophobicContact CG-CB 4.2Å; L83-I102 HydrophobicContact CG-CD1 4.16Å; L83-I102 HydrophobicContact CG-CG1 4.07Å; W98-I102 HydrophobicContact CD2-CG2 4.06Å; W98-I102 HydrophobicContact CE3-CG2 4.36Å; W98-I102 HydrophobicContact CH2-CD1 4.47Å; W98-I102 HydrophobicContact CH2-CG2 4.22Å; W98-I102 HydrophobicContact CZ2-CD1 3.49Å; W98-I102 VanDerWaalsContact CZ2-CD1 3.49Å; W98-I102 HydrophobicContact CZ2-CG2 3.94Å; W98-I102 HydrophobicContact CZ3-CG2 4.42Å; W98-I102 WeakPolarHBondContact O-CG2 3.36Å; W98-I102 PolarHBondContact O-N 2.91Å; I99-I102 PolarHBondContact O-N 2.86Å; I102-W169 HydrophobicContact CD1-CH2 3.74Å; I102-W169 HydrophobicContact CD1-CZ2 4.33Å; I102-R170 WeakPolarHBondContact O-CD 3.49Å; I102-R170 PolarHBondContact O-NH1 3.36Å; I102-E265 HydrophobicContact CG2-CG 3.34Å; I102-E265 WeakPolarHBondContact CG2-OE1 3.19Å
103	R	93.1	Very high	92	Very high	85 Å²	85	49 Å²	49	32%	0.321	24%	0.242	S	C	.	.			trans	-58.2	143.5	-179.3	71	-178.8	177.5	148.2	-8.7	112.2	I99 D100 S116 M268	I99-R103 VanDerWaalsContact O-CB 3.28Å; I99-R103 WeakPolarHBondContact O-CB 3.17Å; I99-R103 WeakPolarHBondContact O-CG 3.32Å; I99-R103 PolarHBondContact O-N 3.27Å; D100-R103 IonicContact OD1-CZ 3.21Å; D100-R103 VanDerWaalsContact OD1-CZ 3.31Å; D100-R103 IonicContact OD1-NE 3.42Å; D100-R103 PolarHBondContact OD1-NE 2.9Å; D100-R103 IonicContact OD1-NH2 3.85Å; D100-R103 PolarHBondContact OD1-NH2 2.82Å; R103-S116 WeakPolarHBondContact CG-OG 3.45Å; R103-S116 PolarHBondContact NE-OG 3.37Å; R103-S116 PolarHBondContact O-N 3.26Å; R103-S116 PolarHBondContact O-OG 3.44Å; R103-M268 HydrophobicContact CB-CB 3.94Å; R103-M268 HydrophobicContact CB-CG 4.03Å
104	L	95.9	Very high	93.2	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	154.6	166	-58.2	169.4	0	0	0	110.1	S114 R170 L171 M268	L104-S114 CarbonylContact C-O 3.54Å; L104-S114 WeakPolarHBondContact CA-O 3.28Å; L104-R170 HydrophobicContact CD1-CB 3.78Å; L104-R170 HydrophobicContact CG-CB 4.28Å; L104-L171 HydrophobicContact CD1-CD2 3.54Å; L104-L171 HydrophobicContact CD1-CG 4.2Å; L104-L171 HydrophobicContact CD2-CD2 4.16Å; L104-M268 WeakPolarHBondContact CB-O 3.2Å
105	V	95.6	Very high	93.8	Very high	59 Å²	59	50.2 Å²	50.2	36%	0.358	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.9	171	-179.5	0	0	0	0	107.5	S113 S114	V105-S113 CarbonylContact O-C 3.59Å; V105-S113 WeakPolarHBondContact O-CA 3.3Å; V105-S114 PolarHBondContact N-O 3.15Å; V105-S114 PolarHBondContact O-N 2.98Å
106	Y	96.4	Very high	94.3	Very high	17 Å²	17	50 Å²	50	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.5	177.8	-179.4	-99.6	0	0	0	111.1	R108 R111 D312 H315 M316 D319	Y106-R108 HydrophobicContact CD1-CG 4.4Å; Y106-R108 HydrophobicContact CE1-CG 4.2Å; Y106-R111 WeakPolarHBondContact OH-CD 3.39Å; Y106-R111 VanDerWaalsContact OH-CZ 3.3Å; Y106-R111 PolarHBondContact OH-NE 3.18Å; Y106-D312 HydrophobicContact CD1-CB 4.22Å; Y106-H315 HydrophobicContact CE1-CB 3.76Å; Y106-M316 HydrophobicContact CD1-CE 4.4Å; Y106-M316 HydrophobicContact CD1-CG 4.36Å; Y106-M316 HydrophobicContact CD2-CE 4.12Å; Y106-M316 HydrophobicContact CD2-CG 3.81Å; Y106-M316 HydrophobicContact CE1-CG 4.49Å; Y106-M316 HydrophobicContact CE2-CG 3.96Å; Y106-M316 HydrophobicContact CG-CE 3.71Å; Y106-M316 HydrophobicContact CG-CG 4.02Å; Y106-D319 PolarHBondContact OH-OD2 3.43Å
107	N	96.4	Very high	94.7	Very high	72 Å²	72	51.3 Å²	51.3	39%	0.385	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.3	178.9	-178.3	-33.3	0	0	0	109.9	T109 T110 R111 R112	N107-T109 PolarHBondContact O-N 3.05Å; N107-T109 WeakPolarHBondContact OD1-CA 3.27Å; N107-T109 WeakPolarHBondContact OD1-CB 3.45Å; N107-T109 PolarHBondContact OD1-N 3.17Å; N107-T110 VanDerWaalsContact CB-OG1 3.31Å; N107-T110 WeakPolarHBondContact CB-OG1 3.15Å; N107-T110 PolarHBondContact O-N 2.86Å; N107-T110 PolarHBondContact OD1-N 2.95Å; N107-T110 VanDerWaalsContact OD1-N 3.15Å; N107-R111 WeakPolarHBondContact O-CA 3.44Å; N107-R111 PolarHBondContact O-N 3.05Å; N107-R112 PolarHBondContact N-O 2.75Å; N107-R112 PolarHBondContact O-N 3.28Å
108	R	95	Very high	95	Very high	109 Å²	109	52.3 Å²	52.3	41%	0.411	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.9	-179.6	-63.3	-173.5	-172.8	-169.6	0.8	113.7	Y106 R111 E311 D312	Y106-R108 HydrophobicContact CD1-CG 4.4Å; Y106-R108 HydrophobicContact CE1-CG 4.2Å; R108-R111 WeakPolarHBondContact O-CD 3.15Å; R108-E311 IonicContact CZ-OE2 3.12Å; R108-E311 IonicContact NH1-OE2 2.67Å; R108-E311 PolarHBondContact NH1-OE2 2.82Å; R108-E311 IonicContact NH2-OE2 2.74Å; R108-E311 PolarHBondContact NH2-OE2 3.16Å; R108-D312 IonicContact CZ-OD1 3.08Å; R108-D312 IonicContact NE-OD1 2.85Å; R108-D312 PolarHBondContact NE-OD1 2.84Å; R108-D312 IonicContact NH2-OD1 3.6Å; R108-D312 PolarHBondContact NH2-OD1 2.89Å
109	T	95.4	Very high	95.3	Very high	132 Å²	132	52.3 Å²	52.3	81%	0.81	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-45	-179.1	-54.1	0	0	0	0	111.2	N107	N107-T109 PolarHBondContact O-N 3.05Å; N107-T109 WeakPolarHBondContact OD1-CA 3.27Å; N107-T109 WeakPolarHBondContact OD1-CB 3.45Å; N107-T109 PolarHBondContact OD1-N 3.17Å
110	T	96.1	Very high	95.7	Very high	80 Å²	80	57.3 Å²	57.3	49%	0.491	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.1	-179.3	61.3	0	0	0	0	113.3	N107 R112	N107-T110 VanDerWaalsContact CB-OG1 3.31Å; N107-T110 WeakPolarHBondContact CB-OG1 3.15Å; N107-T110 PolarHBondContact O-N 2.86Å; N107-T110 PolarHBondContact OD1-N 2.95Å; N107-T110 VanDerWaalsContact OD1-N 3.15Å; T110-R112 PolarHBondContact O-N 3.18Å
111	R	95.6	Very high	95.9	Very high	71 Å²	71	57.9 Å²	57.9	27%	0.268	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	42	-174.2	-54.4	-63.1	-69.5	-159.7	-3.9	111.9	Y106 N107 R108 H315 E318 D319	Y106-R111 WeakPolarHBondContact OH-CD 3.39Å; Y106-R111 VanDerWaalsContact OH-CZ 3.3Å; Y106-R111 PolarHBondContact OH-NE 3.18Å; N107-R111 WeakPolarHBondContact O-CA 3.44Å; N107-R111 PolarHBondContact O-N 3.05Å; R108-R111 WeakPolarHBondContact O-CD 3.15Å; R111-H315 PolarHBondContact NH1-ND1 2.99Å; R111-H315 PolarHBondContact NH2-O 3.2Å; R111-E318 IonicContact NH2-OE2 3.16Å; R111-E318 PolarHBondContact NH2-OE2 3.13Å; R111-D319 IonicContact CZ-OD1 2.75Å; R111-D319 IonicContact CZ-OD2 2.73Å; R111-D319 VanDerWaalsContact NE-CG 3.32Å; R111-D319 IonicContact NE-OD1 3.34Å; R111-D319 PolarHBondContact NE-OD1 3.48Å; R111-D319 IonicContact NE-OD2 3.85Å; R111-D319 PolarHBondContact NE-OD2 2.82Å; R111-D319 IonicContact NH2-OD1 3.55Å; R111-D319 PolarHBondContact NH2-OD1 3.15Å; R111-D319 IonicContact NH2-OD2 2.8Å
112	R	95.4	Very high	96.1	Very high	173 Å²	173	62.5 Å²	62.5	65%	0.653	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	153.8	-175	-72.1	-171.1	-177.1	-156.5	-1.9	111.9	N107 T110 E175	N107-R112 PolarHBondContact N-O 2.75Å; N107-R112 PolarHBondContact O-N 3.28Å; T110-R112 PolarHBondContact O-N 3.18Å; R112-E175 VanDerWaalsContact CA-OE1 3.23Å; R112-E175 WeakPolarHBondContact CA-OE1 3.35Å; R112-E175 WeakPolarHBondContact CB-OE1 3.24Å
113	S	96.4	Very high	96.3	Very high	20 Å²	20	64.5 Å²	64.5	14%	0.14	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	144.9	178.3	-48.7	0	0	0	0	110.6	V105 E175 T270	V105-S113 CarbonylContact O-C 3.59Å; V105-S113 WeakPolarHBondContact O-CA 3.3Å; S113-E175 VanDerWaalsContact CB-OE2 3.31Å; S113-E175 WeakPolarHBondContact CB-OE2 3.39Å; S113-E175 PolarHBondContact N-OE1 3.28Å; S113-E175 PolarHBondContact OG-OE2 3.46Å; S113-T270 WeakPolarHBondContact OG-CG2 3.4Å
114	S	96.6	Very high	96.5	Very high	66 Å²	66	61 Å²	61	46%	0.462	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.7	169.1	59.4	0	0	0	0	110.4	L104 V105	L104-S114 CarbonylContact C-O 3.54Å; L104-S114 WeakPolarHBondContact CA-O 3.28Å; V105-S114 PolarHBondContact N-O 3.15Å; V105-S114 PolarHBondContact O-N 2.98Å
115	N	97.1	Very high	96.6	Very high	51 Å²	51	61.2 Å²	61.2	27%	0.273	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	158.7	170.3	-69.9	-40.3	0	0	0	110.7	V119 V121 R170	N115-V119 VanDerWaalsContact CB-O 3.25Å; N115-V119 WeakPolarHBondContact CB-O 2.97Å; N115-V121 PolarHBondContact ND2-N 3.08Å; N115-R170 PolarHBondContact OD1-NH1 3.41Å; N115-R170 PolarHBondContact OD1-NH2 3.03Å
116	S	95.1	Very high	96.8	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.007	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-50.9	146	170.4	-75.4	0	0	0	0	112.7	D100 R103 G118 V119	D100-S116 WeakPolarHBondContact O-CB 3.31Å; D100-S116 PolarHBondContact O-OG 3.13Å; R103-S116 WeakPolarHBondContact CG-OG 3.45Å; R103-S116 PolarHBondContact NE-OG 3.37Å; R103-S116 PolarHBondContact O-N 3.26Å; R103-S116 PolarHBondContact O-OG 3.44Å; S116-G118 PolarHBondContact O-N 2.67Å; S116-V119 WeakPolarHBondContact O-CB 3.29Å; S116-V119 PolarHBondContact O-N 3.18Å
117	P	96.5	Very high	96.8	Very high	76 Å²	76	60.6 Å²	60.6	49%	0.494	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	125.6	-179.3	-28	35.5	0	0	0	112.8	P66 V119	P66-P117 HydrophobicContact CG-CB 4.17Å; P117-V119 VanDerWaalsContact C-N 3.29Å; P117-V119 PolarHBondContact O-N 3.44Å
118	G	96.5	Very high	96.9	Very high	38 Å²	38	60.9 Å²	60.9	39%	0.392	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	7.3	-177.8	0	0	0	0	0	114.7	I63 D64 S116	I63-G118 CarbonylContact C-O 3.31Å; I63-G118 WeakPolarHBondContact CA-O 3.31Å; D64-G118 PolarHBondContact N-O 3.38Å; D64-G118 VanDerWaalsContact O-CA 3.25Å; D64-G118 WeakPolarHBondContact O-CA 3.45Å; S116-G118 PolarHBondContact O-N 2.67Å
119	V	97.8	Very high	97.1	Very high	10 Å²	10	55.9 Å²	55.9	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.7	177.8	-175.2	0	0	0	0	110.2	A61 I63 K65 N115 S116 P117 V121	A61-V119 HydrophobicContact CB-CG1 4.44Å; I63-V119 HydrophobicContact CG2-CB 4.36Å; I63-V119 HydrophobicContact CG2-CG1 4.04Å; I63-V119 HydrophobicContact CG2-CG2 3.96Å; K65-V119 HydrophobicContact CG-CG2 4.33Å; N115-V119 VanDerWaalsContact CB-O 3.25Å; N115-V119 WeakPolarHBondContact CB-O 2.97Å; S116-V119 WeakPolarHBondContact O-CB 3.29Å; S116-V119 PolarHBondContact O-N 3.18Å; P117-V119 VanDerWaalsContact C-N 3.29Å; P117-V119 PolarHBondContact O-N 3.44Å; V119-V121 HydrophobicContact CG1-CG2 3.91Å
120	Q	98	Very high	97.2	Very high	116 Å²	116	53.5 Å²	53.5	54%	0.542	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.2	166.2	-60.3	177.2	35.8	0	0	108.1	A61 K62 W80	A61-Q120 CarbonylContact C-O 3.56Å; A61-Q120 VanDerWaalsContact CA-O 3.23Å; A61-Q120 WeakPolarHBondContact CA-O 3.49Å; K62-Q120 PolarHBondContact N-O 3.23Å; K62-Q120 PolarHBondContact O-N 2.7Å; W80-Q120 HydrophobicContact CH2-CB 3.75Å; W80-Q120 HydrophobicContact CZ3-CB 4.22Å; W80-Q120 WeakPolarHBondContact CZ3-O 3.43Å
121	V	97.8	Very high	97.2	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.139	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.1	176.5	-178.2	0	0	0	0	108.8	L59 E60 L83 N115 V119	L59-V121 HydrophobicContact CB-CG1 4.3Å; L59-V121 HydrophobicContact CD1-CG1 4.43Å; L59-V121 HydrophobicContact CD2-CG1 4.36Å; E60-V121 CarbonylContact O-C 3.58Å; E60-V121 WeakPolarHBondContact O-CA 3.35Å; L83-V121 HydrophobicContact CD2-CB 4.49Å; L83-V121 HydrophobicContact CD2-CG1 3.9Å; L83-V121 HydrophobicContact CD2-CG2 3.75Å; N115-V121 PolarHBondContact ND2-N 3.08Å; V119-V121 HydrophobicContact CG1-CG2 3.91Å
122	R	97.4	Very high	97.3	Very high	109 Å²	109	46.3 Å²	46.3	41%	0.411	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	157	172.5	74.6	-179.1	-176.8	174.5	2.8	111.1	E60 W80 P124	E60-R122 HydrophobicContact CB-CG 4Å; E60-R122 PolarHBondContact N-O 3.4Å; E60-R122 PolarHBondContact O-N 3.04Å; E60-R122 IonicContact OE2-CZ 3.9Å; E60-R122 IonicContact OE2-NE 3.81Å; E60-R122 PolarHBondContact OE2-NE 2.75Å; E60-R122 IonicContact OE2-NH2 3.47Å; E60-R122 PolarHBondContact OE2-NH2 3.38Å; W80-R122 HydrophobicContact CD2-CG 4.13Å; W80-R122 HydrophobicContact CE3-CB 4.46Å; W80-R122 HydrophobicContact CE3-CG 3.65Å; W80-R122 VanDerWaalsContact CG-CZ 3.42Å; W80-R122 HydrophobicContact CH2-CB 3.98Å; W80-R122 HydrophobicContact CH2-CG 3.97Å; W80-R122 HydrophobicContact CZ2-CG 4.41Å; W80-R122 HydrophobicContact CZ3-CB 3.88Å; W80-R122 HydrophobicContact CZ3-CG 3.56Å; R122-P124 WeakPolarHBondContact O-CD 3.37Å
123	V	98.4	Very high	97.4	Very high	43 Å²	43	38.5 Å²	38.5	26%	0.261	21%	0.209	S	C	.	.			trans	-101.2	110.4	175.6	-174.6	0	0	0	0	108.4	L59 P166 Y167 D168	L59-V123 HydrophobicContact CD2-CG2 3.81Å; V123-P166 HydrophobicContact CG1-CB 3.61Å; V123-P166 HydrophobicContact CG1-CG 3.86Å; V123-Y167 VanDerWaalsContact CG2-C 3.43Å; V123-D168 HydrophobicContact CG2-CB 4.05Å
124	P	97.9	Very high	97.3	Very high	11 Å²	11	38.9 Å²	38.9	7%	0.071	21%	0.208	C	C	.	.			trans	-78.7	156.9	177.2	35.1	-38.2	0	0	0	112.1	R58 E60 R122 S131	R58-P124 HydrophobicContact CB-CG 3.83Å; R58-P124 WeakPolarHBondContact O-CD 3.41Å; E60-P124 HydrophobicContact CG-CB 4.47Å; E60-P124 HydrophobicContact CG-CG 4.08Å; R122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-S131 WeakPolarHBondContact O-CB 3.21Å; P124-S131 PolarHBondContact O-OG 3.22Å; P124-S131 VanDerWaalsContact O-OG 3.07Å
125	G	97.4	Very high	97.1	Very high	9 Å²	9	36.7 Å²	36.7	9%	0.093	19%	0.192	C	C	.	.			trans	72.3	30.5	168.7	0	0	0	0	0	115.3	G127 E128 Y130	G125-G127 PolarHBondContact O-N 3.33Å; G125-E128 PolarHBondContact O-N 2.83Å; G125-Y130 PolarHBondContact N-OH 2.81Å
126	F	98.6	Very high	96.7	Very high	59 Å²	59	34.4 Å²	34.4	26%	0.259	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	126.2	171.7	-168.9	-83	0	0	0	110.7	A165 Y179 K182 L186	F126-A165 HydrophobicContact CE2-CB 4.21Å; F126-A165 HydrophobicContact CZ-CB 4.44Å; F126-Y179 HydrophobicContact CD2-CD2 4.4Å; F126-Y179 HydrophobicContact CD2-CE2 4.46Å; F126-Y179 AromaticContact CE2-CD2 3.72Å; F126-Y179 HydrophobicContact CE2-CD2 3.72Å; F126-Y179 AromaticContact CE2-CE2 3.68Å; F126-Y179 HydrophobicContact CE2-CE2 3.68Å; F126-K182 HydrophobicContact CD1-CB 4.34Å; F126-K182 HydrophobicContact CE1-CB 3.64Å; F126-K182 HydrophobicContact CE2-CB 4.02Å; F126-K182 HydrophobicContact CZ-CB 3.46Å; F126-K182 VanDerWaalsContact CZ-CB 3.46Å; F126-L186 HydrophobicContact CE1-CB 4.13Å; F126-L186 HydrophobicContact CE1-CD2 4.03Å; F126-L186 HydrophobicContact CZ-CD2 4.3Å
127	G	98.1	Very high	96.4	Very high	4 Å²	4	39.1 Å²	39.1	4%	0.041	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	2.1	-170.6	0	0	0	0	0	113.4	G125 R163 G164	G125-G127 PolarHBondContact O-N 3.33Å; G127-R163 WeakPolarHBondContact O-CD 3.2Å; G127-R163 PolarHBondContact O-NH1 3.15Å; G127-G164 VanDerWaalsContact CA-O 3.32Å; G127-G164 WeakPolarHBondContact CA-O 3.19Å; G127-G164 PolarHBondContact N-O 3.48Å
128	E	98.4	Very high	96	Very high	78 Å²	78	41.3 Å²	41.3	36%	0.364	21%	0.205	S	C	.	.			trans	-115.8	164.4	174	-64	-175.5	-125.4	0	0	110.5	G125 Y130 N159 G164	G125-E128 PolarHBondContact O-N 2.83Å; E128-Y130 HydrophobicContact CB-CD1 3.79Å; E128-Y130 HydrophobicContact CB-CE1 3.92Å; E128-Y130 HydrophobicContact CG-CE1 4.43Å; E128-Y130 VanDerWaalsContact OE2-CD1 3.27Å; E128-Y130 WeakPolarHBondContact OE2-CD1 3.15Å; E128-Y130 WeakPolarHBondContact OE2-CE1 3.2Å; E128-N159 VanDerWaalsContact CA-OD1 3.23Å; E128-N159 WeakPolarHBondContact CA-OD1 3.23Å; E128-G164 VanDerWaalsContact O-CA 3.24Å; E128-G164 WeakPolarHBondContact O-CA 3.41Å; E128-G164 PolarHBondContact O-N 2.81Å
129	T	98.2	Very high	95.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	22%	0.216	C	C	.	.	S	Bend	trans	-97.7	-26.3	-176.3	46.2	0	0	0	0	112.8	S131 I132 E133 V148 N159 V162	T129-S131 VanDerWaalsContact C-N 3.27Å; T129-S131 PolarHBondContact O-N 3.3Å; T129-S131 VanDerWaalsContact O-N 3.11Å; T129-I132 WeakPolarHBondContact O-CG1 3.45Å; T129-I132 PolarHBondContact O-N 3.01Å; T129-I132 VanDerWaalsContact O-N 3.11Å; T129-E133 WeakPolarHBondContact CB-OE1 3.4Å; T129-E133 WeakPolarHBondContact O-CG 3.34Å; T129-E133 PolarHBondContact O-N 3.49Å; T129-E133 PolarHBondContact OG1-OE1 2.66Å; T129-V148 HydrophobicContact CG2-CG1 4.31Å; T129-V148 HydrophobicContact CG2-CG2 4.37Å; T129-N159 PolarHBondContact N-OD1 3.16Å; T129-N159 PolarHBondContact OG1-OD1 2.83Å; T129-V162 HydrophobicContact CG2-CG1 4.42Å; T129-V162 HydrophobicContact CG2-CG2 4.44Å; T129-V162 WeakPolarHBondContact CG2-O 3.45Å
130	Y	97.6	Very high	94.9	Very high	82 Å²	82	49.7 Å²	49.7	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-59.5	-33.2	-171	77.7	-94.1	0	0	0	114.3	G125 E128 I132 F134	G125-Y130 PolarHBondContact N-OH 2.81Å; E128-Y130 HydrophobicContact CB-CD1 3.79Å; E128-Y130 HydrophobicContact CB-CE1 3.92Å; E128-Y130 HydrophobicContact CG-CE1 4.43Å; E128-Y130 VanDerWaalsContact OE2-CD1 3.27Å; E128-Y130 WeakPolarHBondContact OE2-CD1 3.15Å; E128-Y130 WeakPolarHBondContact OE2-CE1 3.2Å; Y130-I132 VanDerWaalsContact C-N 3.31Å; Y130-F134 PolarHBondContact O-N 2.77Å
131	S	96.8	Very high	94.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-79.1	-14.9	-175.6	61.8	0	0	0	0	113.5	N57 R58 P124 T129	N57-S131 VanDerWaalsContact CA-O 3.29Å; N57-S131 WeakPolarHBondContact CA-O 3.38Å; R58-S131 PolarHBondContact N-O 2.89Å; R58-S131 VanDerWaalsContact N-O 3.09Å; P124-S131 WeakPolarHBondContact O-CB 3.21Å; P124-S131 PolarHBondContact O-OG 3.22Å; P124-S131 VanDerWaalsContact O-OG 3.07Å; T129-S131 VanDerWaalsContact C-N 3.27Å; T129-S131 PolarHBondContact O-N 3.3Å; T129-S131 VanDerWaalsContact O-N 3.11Å
132	I	97.7	Very high	93.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-105.3	-25.2	172.9	64	164.4	0	0	0	112	I50 P52 N57 T129 Y130 F144 P166	I50-I132 HydrophobicContact CB-CD1 3.71Å; I50-I132 HydrophobicContact CD1-CD1 4.31Å; I50-I132 HydrophobicContact CG2-CD1 3.65Å; P52-I132 HydrophobicContact CB-CG2 4.17Å; P52-I132 HydrophobicContact CG-CG2 3.88Å; N57-I132 HydrophobicContact CB-CG2 3.97Å; T129-I132 WeakPolarHBondContact O-CG1 3.45Å; T129-I132 PolarHBondContact O-N 3.01Å; T129-I132 VanDerWaalsContact O-N 3.11Å; Y130-I132 VanDerWaalsContact C-N 3.31Å; I132-F144 HydrophobicContact CB-CB 4.48Å; I132-F144 HydrophobicContact CB-CD2 4.29Å; I132-F144 HydrophobicContact CD1-CB 4.24Å; I132-F144 HydrophobicContact CD1-CD2 4.43Å; I132-F144 HydrophobicContact CD1-CG 4.39Å; I132-F144 HydrophobicContact CG1-CB 4.27Å; I132-F144 WeakPolarHBondContact O-CB 3.32Å; I132-F144 PolarHBondContact O-N 3.03Å; I132-P166 HydrophobicContact CG2-CB 4.12Å
133	E	96.8	Very high	93.7	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-49.8	178.2	-78.7	-169.4	-101.9	0	0	111.8	T129 G142 Y143 F144 H145 V148 R158	T129-E133 WeakPolarHBondContact CB-OE1 3.4Å; T129-E133 WeakPolarHBondContact O-CG 3.34Å; T129-E133 PolarHBondContact O-N 3.49Å; T129-E133 PolarHBondContact OG1-OE1 2.66Å; E133-G142 CarbonylContact O-C 3.56Å; E133-G142 WeakPolarHBondContact O-CA 3.34Å; E133-Y143 PolarHBondContact O-N 2.97Å; E133-F144 PolarHBondContact O-N 2.88Å; E133-H145 HydrophobicContact CB-CB 4.17Å; E133-H145 WeakPolarHBondContact O-CB 3.25Å; E133-H145 PolarHBondContact O-N 2.83Å; E133-H145 IonicContact OE2-CE1 2.79Å; E133-H145 IonicContact OE2-CG 2.89Å; E133-H145 IonicContact OE2-ND1 3.84Å; E133-H145 PolarHBondContact OE2-ND1 2.8Å; E133-V148 HydrophobicContact CG-CB 3.89Å; E133-V148 HydrophobicContact CG-CG1 4.21Å; E133-V148 HydrophobicContact CG-CG2 3.78Å; E133-R158 IonicContact OE1-CZ 3.17Å; E133-R158 IonicContact OE1-NE 3.88Å; E133-R158 PolarHBondContact OE1-NE 2.99Å; E133-R158 IonicContact OE1-NH2 3.96Å; E133-R158 IonicContact OE2-CZ 3.41Å; E133-R158 IonicContact OE2-NE 2.86Å; E133-R158 PolarHBondContact OE2-NE 2.95Å; E133-R158 IonicContact OE2-NH2 3Å; E133-R158 PolarHBondContact OE2-NH2 3.21Å
134	F	95	Very high	93.6	Very high	27 Å²	27	37.5 Å²	37.5	12%	0.118	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-127.2	129.3	177.3	-67.4	-84.7	0	0	0	109.7	R58 Y130 D136 K139 A141 H145	R58-F134 VanDerWaalsContact CZ-O 3.26Å; R58-F134 PolarHBondContact NE-O 2.83Å; R58-F134 PolarHBondContact NH2-O 2.93Å; Y130-F134 PolarHBondContact O-N 2.77Å; F134-D136 VanDerWaalsContact C-N 3.33Å; F134-K139 HydrophobicContact CB-CB 4.46Å; F134-K139 HydrophobicContact CB-CG 4.43Å; F134-K139 VanDerWaalsContact CD1-CA 3.46Å; F134-K139 HydrophobicContact CD1-CB 3.69Å; F134-K139 HydrophobicContact CD1-CG 4.42Å; F134-K139 HydrophobicContact CD2-CB 4.12Å; F134-K139 HydrophobicContact CD2-CD 4.28Å; F134-K139 HydrophobicContact CD2-CG 4.04Å; F134-K139 HydrophobicContact CE1-CB 3.84Å; F134-K139 WeakPolarHBondContact CE1-O 3.49Å; F134-K139 HydrophobicContact CE2-CB 4.25Å; F134-K139 HydrophobicContact CE2-CD 4.25Å; F134-K139 HydrophobicContact CE2-CG 4.38Å; F134-K139 HydrophobicContact CG-CB 3.83Å; F134-K139 HydrophobicContact CG-CG 4.05Å; F134-K139 HydrophobicContact CZ-CB 4.11Å; F134-A141 CarbonylContact C-O 3.6Å; F134-A141 WeakPolarHBondContact CA-O 3.32Å; F134-H145 HydrophobicContact CD2-CB 4.42Å; F134-H145 HydrophobicContact CE1-CB 4.27Å; F134-H145 HydrophobicContact CE2-CB 3.91Å; F134-H145 AromaticContact CE2-CE1 3.83Å; F134-H145 AromaticContact CE2-CG 3.47Å; F134-H145 VanDerWaalsContact CE2-CG 3.47Å; F134-H145 AromaticContact CE2-ND1 3.33Å; F134-H145 VanDerWaalsContact CE2-ND1 3.33Å; F134-H145 WeakPolarHBondContact CE2-ND1 3.4Å; F134-H145 HydrophobicContact CZ-CB 3.83Å; F134-H145 AromaticContact CZ-CD2 3.48Å; F134-H145 VanDerWaalsContact CZ-CD2 3.48Å; F134-H145 WeakPolarHBondContact CZ-CD2 3.47Å; F134-H145 AromaticContact CZ-CE1 3.86Å; F134-H145 AromaticContact CZ-CG 3.31Å; F134-H145 AromaticContact CZ-ND1 3.58Å; F134-H145 AromaticContact CZ-NE2 3.8Å
135	L	91.7	Very high	93.5	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.11	19%	0.185	C	C	.	.	S	Bend	trans	-78.8	-19.2	-178.2	-56.6	-178.1	0	0	0	112.6	G56 R58 I85 A141 Y143	G56-L135 VanDerWaalsContact C-CD2 3.45Å; R58-L135 WeakPolarHBondContact CG-O 3.24Å; I85-L135 HydrophobicContact CG2-CB 3.96Å; I85-L135 PolarHBondContact N-O 3.39Å; L135-A141 HydrophobicContact CB-CB 4.19Å; L135-A141 PolarHBondContact N-O 3.01Å; L135-Y143 HydrophobicContact CD2-CD1 4.26Å
136	D	88.9	Confident	93.2	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	18%	0.181	C	C	.	.	S	Bend	trans	-114.6	162.4	178.7	77.6	-59.9	0	0	0	112.3	R58 I85 F134 N138 K139 L140 A141	R58-D136 PolarHBondContact NH2-O 3.29Å; I85-D136 HydrophobicContact CG2-CB 3.66Å; F134-D136 VanDerWaalsContact C-N 3.33Å; D136-N138 VanDerWaalsContact C-N 3.35Å; D136-N138 VanDerWaalsContact OD2-C 3.27Å; D136-N138 VanDerWaalsContact OD2-CA 3.24Å; D136-N138 WeakPolarHBondContact OD2-CA 3.33Å; D136-N138 VanDerWaalsContact OD2-CB 3.26Å; D136-N138 WeakPolarHBondContact OD2-CB 2.8Å; D136-N138 PolarHBondContact OD2-N 2.95Å; D136-K139 PolarHBondContact OD1-N 2.87Å; D136-K139 PolarHBondContact OD2-N 2.83Å; D136-L140 PolarHBondContact OD1-N 2.64Å; D136-L140 PolarHBondContact OD2-N 3.23Å; D136-L140 VanDerWaalsContact OD2-N 3.16Å; D136-A141 HydrophobicContact CB-CB 4.38Å; D136-A141 PolarHBondContact OD1-N 2.64Å
137	Y	88.6	Confident	93.1	Very high	100 Å²	100	35.8 Å²	35.8	39%	0.392	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-23	-178.2	-78.7	-121.4	0	0	0	113	E60 P82 K139	E60-Y137 WeakPolarHBondContact CG-OH 3.38Å; E60-Y137 PolarHBondContact OE1-OH 3.22Å; P82-Y137 HydrophobicContact CB-CD2 3.92Å; P82-Y137 HydrophobicContact CB-CE2 3.6Å; P82-Y137 HydrophobicContact CG-CD1 4.47Å; P82-Y137 HydrophobicContact CG-CD2 3.61Å; P82-Y137 HydrophobicContact CG-CE1 4.31Å; P82-Y137 HydrophobicContact CG-CE2 3.44Å; P82-Y137 VanDerWaalsContact CG-CE2 3.44Å; P82-Y137 HydrophobicContact CG-CG 4.16Å; Y137-K139 VanDerWaalsContact C-N 3.28Å
138	N	87.8	Confident	93	Very high	122 Å²	122	35.6 Å²	35.6	65%	0.652	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.6	179.6	-57.6	-45.9	0	0	0	112.8	D136 L140	D136-N138 VanDerWaalsContact C-N 3.35Å; D136-N138 VanDerWaalsContact OD2-C 3.27Å; D136-N138 VanDerWaalsContact OD2-CA 3.24Å; D136-N138 WeakPolarHBondContact OD2-CA 3.33Å; D136-N138 VanDerWaalsContact OD2-CB 3.26Å; D136-N138 WeakPolarHBondContact OD2-CB 2.8Å; D136-N138 PolarHBondContact OD2-N 2.95Å; N138-L140 VanDerWaalsContact C-N 3.35Å; N138-L140 HydrophobicContact CB-CD1 4.02Å; N138-L140 HydrophobicContact CB-CG 4.05Å
139	K	88.6	Confident	92.8	Very high	140 Å²	140	34.9 Å²	34.9	61%	0.609	16%	0.164	S	C	*	.	S	Bend	trans	60.3	40.7	180	-53.7	-176.8	-179.9	-175	0	113	F134 D136 Y137	F134-K139 HydrophobicContact CB-CB 4.46Å; F134-K139 HydrophobicContact CB-CG 4.43Å; F134-K139 VanDerWaalsContact CD1-CA 3.46Å; F134-K139 HydrophobicContact CD1-CB 3.69Å; F134-K139 HydrophobicContact CD1-CG 4.42Å; F134-K139 HydrophobicContact CD2-CB 4.12Å; F134-K139 HydrophobicContact CD2-CD 4.28Å; F134-K139 HydrophobicContact CD2-CG 4.04Å; F134-K139 HydrophobicContact CE1-CB 3.84Å; F134-K139 WeakPolarHBondContact CE1-O 3.49Å; F134-K139 HydrophobicContact CE2-CB 4.25Å; F134-K139 HydrophobicContact CE2-CD 4.25Å; F134-K139 HydrophobicContact CE2-CG 4.38Å; F134-K139 HydrophobicContact CG-CB 3.83Å; F134-K139 HydrophobicContact CG-CG 4.05Å; F134-K139 HydrophobicContact CZ-CB 4.11Å; D136-K139 PolarHBondContact OD1-N 2.87Å; D136-K139 PolarHBondContact OD2-N 2.83Å; Y137-K139 VanDerWaalsContact C-N 3.28Å
140	L	84	Confident	92.6	Very high	84 Å²	84	35.3 Å²	35.3	44%	0.44	17%	0.166	S	C	.	.			trans	-97.6	-30.9	176.5	-62	172.9	0	0	0	112.2	V31 L87 D136 N138	V31-L140 WeakPolarHBondContact CA-O 3.31Å; V31-L140 VanDerWaalsContact CG2-O 3.3Å; V31-L140 WeakPolarHBondContact CG2-O 3.17Å; L87-L140 HydrophobicContact CD1-CD1 4.21Å; D136-L140 PolarHBondContact OD1-N 2.64Å; D136-L140 PolarHBondContact OD2-N 3.23Å; D136-L140 VanDerWaalsContact OD2-N 3.16Å; N138-L140 VanDerWaalsContact C-N 3.35Å; N138-L140 HydrophobicContact CB-CD1 4.02Å; N138-L140 HydrophobicContact CB-CG 4.05Å
141	A	84.6	Confident	92.4	Very high	15 Å²	15	31.4 Å²	31.4	12%	0.124	15%	0.15	C	C	.	.	S	Bend	trans	-101.5	77.1	-178.6	0	0	0	0	0	110.5	V30 I85 F134 L135 D136	V30-A141 HydrophobicContact CG1-CB 4.25Å; I85-A141 HydrophobicContact CG2-CB 4.42Å; F134-A141 CarbonylContact C-O 3.6Å; F134-A141 WeakPolarHBondContact CA-O 3.32Å; L135-A141 HydrophobicContact CB-CB 4.19Å; L135-A141 PolarHBondContact N-O 3.01Å; D136-A141 HydrophobicContact CB-CB 4.38Å; D136-A141 PolarHBondContact OD1-N 2.64Å
142	G	88.1	Confident	92.2	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.021	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-74.8	127.1	177.6	0	0	0	0	0	113.1	V30 E133 F405	V30-G142 WeakPolarHBondContact CA-O 3.35Å; V30-G142 WeakPolarHBondContact CB-O 3.37Å; V30-G142 VanDerWaalsContact CG1-O 3.32Å; V30-G142 WeakPolarHBondContact CG1-O 3.26Å; V30-G142 WeakPolarHBondContact CG2-O 3.48Å; V30-G142 WeakPolarHBondContact O-CA 3.47Å; V30-G142 PolarHBondContact O-N 2.95Å; E133-G142 CarbonylContact O-C 3.56Å; E133-G142 WeakPolarHBondContact O-CA 3.34Å; G142-F405 WeakPolarHBondContact O-CZ 3.42Å
143	Y	93.6	Very high	91.8	Very high	17 Å²	17	35.4 Å²	35.4	7%	0.067	17%	0.173	C	C	.	.	S	Bend	trans	-119.5	-70.1	179.1	176.2	-127.7	0	0	0	112.7	P52 G53 G56 E133 L135 H145 H203 V404 F405	P52-Y143 HydrophobicContact CB-CE1 3.93Å; G53-Y143 PolarHBondContact N-OH 2.96Å; G56-Y143 VanDerWaalsContact CA-CE1 3.42Å; G56-Y143 VanDerWaalsContact O-CD1 3.28Å; G56-Y143 WeakPolarHBondContact O-CD1 3Å; G56-Y143 WeakPolarHBondContact O-CE1 3.3Å; E133-Y143 PolarHBondContact O-N 2.97Å; L135-Y143 HydrophobicContact CD2-CD1 4.26Å; Y143-H145 VanDerWaalsContact C-N 3.34Å; Y143-H203 AromaticContact CE2-ND1 3.93Å; Y143-H203 AromaticContact CZ-ND1 3.69Å; Y143-H203 PolarHBondContact OH-ND1 3.09Å; Y143-V404 HydrophobicContact CD2-CG2 3.99Å; Y143-V404 HydrophobicContact CE2-CG1 4.41Å; Y143-V404 HydrophobicContact CE2-CG2 3.95Å; Y143-V404 WeakPolarHBondContact O-CG2 3.36Å; Y143-F405 HydrophobicContact CD2-CZ 4.46Å; Y143-F405 WeakPolarHBondContact O-CE1 2.99Å; Y143-F405 VanDerWaalsContact O-CZ 3.24Å; Y143-F405 WeakPolarHBondContact O-CZ 3.36Å
144	F	96.6	Very high	91.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-89.6	2.8	171.1	-86.2	-79.1	0	0	0	113.9	I50 P52 I132 E133 T146 T147 V148 L201 H203 V404	I50-F144 HydrophobicContact CD1-CD1 4.19Å; I50-F144 HydrophobicContact CG2-CD1 3.73Å; I50-F144 HydrophobicContact CG2-CD2 3.96Å; I50-F144 HydrophobicContact CG2-CE1 3.51Å; I50-F144 HydrophobicContact CG2-CE2 3.74Å; I50-F144 HydrophobicContact CG2-CG 3.93Å; I50-F144 HydrophobicContact CG2-CZ 3.5Å; P52-F144 HydrophobicContact CB-CE2 4.11Å; I132-F144 HydrophobicContact CB-CB 4.48Å; I132-F144 HydrophobicContact CB-CD2 4.29Å; I132-F144 HydrophobicContact CD1-CB 4.24Å; I132-F144 HydrophobicContact CD1-CD2 4.43Å; I132-F144 HydrophobicContact CD1-CG 4.39Å; I132-F144 HydrophobicContact CG1-CB 4.27Å; I132-F144 WeakPolarHBondContact O-CB 3.32Å; I132-F144 PolarHBondContact O-N 3.03Å; E133-F144 PolarHBondContact O-N 2.88Å; F144-T146 PolarHBondContact O-N 2.79Å; F144-T147 HydrophobicContact CD1-CG2 4.15Å; F144-T147 PolarHBondContact O-N 3.03Å; F144-V148 HydrophobicContact CB-CG2 4.38Å; F144-V148 WeakPolarHBondContact O-CG2 3.35Å; F144-V148 PolarHBondContact O-N 2.81Å; F144-L201 HydrophobicContact CE1-CD2 3.83Å; F144-L201 HydrophobicContact CZ-CD2 4.09Å; F144-H203 HydrophobicContact CE2-CB 4.34Å; F144-H203 HydrophobicContact CZ-CB 3.67Å; F144-V404 HydrophobicContact CD1-CB 4.45Å; F144-V404 HydrophobicContact CD1-CG1 4.42Å; F144-V404 HydrophobicContact CE1-CB 4.24Å; F144-V404 HydrophobicContact CE1-CG1 3.77Å; F144-V404 HydrophobicContact CZ-CG1 3.85Å
145	H	95.6	Very high	91	Very high	40 Å²	40	35.6 Å²	35.6	19%	0.185	18%	0.183	C	C	.	.	H	α-helix	trans	-54.6	-49.2	-175.4	-179.9	55.9	0	0	0	112.9	E133 F134 Y143 T147 V148 E149	E133-H145 HydrophobicContact CB-CB 4.17Å; E133-H145 WeakPolarHBondContact O-CB 3.25Å; E133-H145 PolarHBondContact O-N 2.83Å; E133-H145 IonicContact OE2-CE1 2.79Å; E133-H145 IonicContact OE2-CG 2.89Å; E133-H145 IonicContact OE2-ND1 3.84Å; E133-H145 PolarHBondContact OE2-ND1 2.8Å; F134-H145 HydrophobicContact CD2-CB 4.42Å; F134-H145 HydrophobicContact CE1-CB 4.27Å; F134-H145 HydrophobicContact CE2-CB 3.91Å; F134-H145 AromaticContact CE2-CE1 3.83Å; F134-H145 AromaticContact CE2-CG 3.47Å; F134-H145 VanDerWaalsContact CE2-CG 3.47Å; F134-H145 AromaticContact CE2-ND1 3.33Å; F134-H145 VanDerWaalsContact CE2-ND1 3.33Å; F134-H145 WeakPolarHBondContact CE2-ND1 3.4Å; F134-H145 HydrophobicContact CZ-CB 3.83Å; F134-H145 AromaticContact CZ-CD2 3.48Å; F134-H145 VanDerWaalsContact CZ-CD2 3.48Å; F134-H145 WeakPolarHBondContact CZ-CD2 3.47Å; F134-H145 AromaticContact CZ-CE1 3.86Å; F134-H145 AromaticContact CZ-CG 3.31Å; F134-H145 AromaticContact CZ-ND1 3.58Å; F134-H145 AromaticContact CZ-NE2 3.8Å; Y143-H145 VanDerWaalsContact C-N 3.34Å; H145-T147 PolarHBondContact O-N 3.46Å; H145-V148 PolarHBondContact O-N 3.24Å; H145-E149 VanDerWaalsContact O-CB 3.27Å; H145-E149 WeakPolarHBondContact O-CB 3.48Å; H145-E149 PolarHBondContact O-N 2.86Å
146	T	92.6	Very high	91.2	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-40	179.9	-46.8	0	0	0	0	112.3	P33 P34 T36 F144 H150 F405 L410	P33-T146 WeakPolarHBondContact CB-OG1 3.44Å; P34-T146 HydrophobicContact CG-CG2 4.49Å; T36-T146 HydrophobicContact CG2-CG2 4.16Å; F144-T146 PolarHBondContact O-N 2.79Å; T146-H150 VanDerWaalsContact O-CB 3.28Å; T146-H150 WeakPolarHBondContact O-CB 3.41Å; T146-H150 PolarHBondContact O-N 2.8Å; T146-F405 WeakPolarHBondContact OG1-CD1 3.45Å; T146-L410 HydrophobicContact CG2-CD1 3.82Å
147	T	95.4	Very high	91.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-51	174.7	-66.3	0	0	0	0	110.7	I50 F144 H145 E149 H150 L151 V404 L410	I50-T147 HydrophobicContact CD1-CG2 4.3Å; F144-T147 HydrophobicContact CD1-CG2 4.15Å; F144-T147 PolarHBondContact O-N 3.03Å; H145-T147 PolarHBondContact O-N 3.46Å; T147-E149 PolarHBondContact O-N 3.49Å; T147-H150 WeakPolarHBondContact O-CB 3.46Å; T147-H150 PolarHBondContact O-N 2.86Å; T147-L151 HydrophobicContact CG2-CD1 4.08Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.37Å; T147-L151 PolarHBondContact O-N 2.81Å; T147-V404 PolarHBondContact OG1-O 3.22Å; T147-L410 HydrophobicContact CG2-CD2 4.23Å; T147-L410 WeakPolarHBondContact OG1-CD2 3.2Å
148	V	96.8	Very high	91.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-41.5	-177.5	175.4	0	0	0	0	110.8	I50 T129 E133 F144 H145 H150 L151 V152 R158 V162	I50-V148 HydrophobicContact CD1-CG2 4.02Å; T129-V148 HydrophobicContact CG2-CG1 4.31Å; T129-V148 HydrophobicContact CG2-CG2 4.37Å; E133-V148 HydrophobicContact CG-CB 3.89Å; E133-V148 HydrophobicContact CG-CG1 4.21Å; E133-V148 HydrophobicContact CG-CG2 3.78Å; F144-V148 HydrophobicContact CB-CG2 4.38Å; F144-V148 WeakPolarHBondContact O-CG2 3.35Å; F144-V148 PolarHBondContact O-N 2.81Å; H145-V148 PolarHBondContact O-N 3.24Å; V148-H150 PolarHBondContact O-N 2.82Å; V148-L151 PolarHBondContact O-N 2.79Å; V148-V152 HydrophobicContact CG1-CG2 4.4Å; V148-V152 WeakPolarHBondContact O-CG2 3.34Å; V148-V152 PolarHBondContact O-N 3.35Å; V148-R158 HydrophobicContact CG1-CG 3.66Å; V148-V162 HydrophobicContact CG1-CG1 4.4Å
149	E	94.6	Very high	92.3	Very high	63 Å²	63	33 Å²	33	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-64.6	-40.2	177	-167.1	69.4	174.3	0	0	111.8	H145 T147 L151 V152 N153 R158	H145-E149 VanDerWaalsContact O-CB 3.27Å; H145-E149 WeakPolarHBondContact O-CB 3.48Å; H145-E149 PolarHBondContact O-N 2.86Å; T147-E149 PolarHBondContact O-N 3.49Å; E149-L151 VanDerWaalsContact C-N 3.33Å; E149-L151 PolarHBondContact O-N 3.16Å; E149-V152 PolarHBondContact O-N 3.36Å; E149-N153 WeakPolarHBondContact O-CB 3.16Å; E149-N153 VanDerWaalsContact O-CG 3.3Å; E149-N153 PolarHBondContact O-N 3.2Å; E149-N153 PolarHBondContact O-ND2 2.87Å; E149-R158 IonicContact OE2-CZ 3.55Å; E149-R158 IonicContact OE2-NH1 2.69Å; E149-R158 PolarHBondContact OE2-NH1 2.73Å; E149-R158 IonicContact OE2-NH2 3.83Å; E149-R158 PolarHBondContact OE2-NH2 3.01Å
150	H	92.6	Very high	92.6	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-46.8	172	-176.8	90.3	0	0	0	111.6	T36 T146 T147 V148 N153 V154 L410 Q414	T36-H150 HydrophobicContact CG2-CB 3.92Å; T146-H150 VanDerWaalsContact O-CB 3.28Å; T146-H150 WeakPolarHBondContact O-CB 3.41Å; T146-H150 PolarHBondContact O-N 2.8Å; T147-H150 WeakPolarHBondContact O-CB 3.46Å; T147-H150 PolarHBondContact O-N 2.86Å; V148-H150 PolarHBondContact O-N 2.82Å; H150-N153 PolarHBondContact O-N 3.49Å; H150-V154 PolarHBondContact O-N 2.83Å; H150-L410 HydrophobicContact CB-CB 4.46Å; H150-L410 HydrophobicContact CB-CD1 4.01Å; H150-L410 PolarHBondContact NE2-O 2.81Å; H150-Q414 PolarHBondContact NE2-OE1 2.99Å
151	L	93.5	Very high	93.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-42.6	179	-68.4	171.1	0	0	0	111.7	L48 T147 V148 E149 N153 V154 G155 Y156 V162 L417	L48-L151 HydrophobicContact CD2-CD1 3.5Å; L48-L151 VanDerWaalsContact CD2-CD1 3.5Å; T147-L151 HydrophobicContact CG2-CD1 4.08Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.37Å; T147-L151 PolarHBondContact O-N 2.81Å; V148-L151 PolarHBondContact O-N 2.79Å; E149-L151 VanDerWaalsContact C-N 3.33Å; E149-L151 PolarHBondContact O-N 3.16Å; L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 3.37Å; L151-V154 CarbonylContact O-C 3.46Å; L151-V154 WeakPolarHBondContact O-CG2 3.34Å; L151-V154 PolarHBondContact O-N 2.88Å; L151-V154 VanDerWaalsContact O-N 3.09Å; L151-G155 PolarHBondContact O-N 2.96Å; L151-Y156 HydrophobicContact CB-CD2 3.98Å; L151-Y156 HydrophobicContact CB-CG 3.99Å; L151-Y156 HydrophobicContact CD2-CD2 4.03Å; L151-Y156 HydrophobicContact CD2-CE2 4.04Å; L151-Y156 WeakPolarHBondContact O-CB 3.41Å; L151-Y156 PolarHBondContact O-N 2.86Å; L151-V162 HydrophobicContact CD1-CG2 3.94Å; L151-L417 HydrophobicContact CD2-CD1 3.4Å; L151-L417 VanDerWaalsContact CD2-CD1 3.4Å
152	V	93.3	Very high	93.8	Very high	43 Å²	43	27 Å²	27	26%	0.261	14%	0.144	S	C	.	.	H	α-helix	trans	-61.9	-40.9	176.8	169.6	0	0	0	0	111.2	V148 E149 V154 G155 Y156 R158	V148-V152 HydrophobicContact CG1-CG2 4.4Å; V148-V152 WeakPolarHBondContact O-CG2 3.34Å; V148-V152 PolarHBondContact O-N 3.35Å; E149-V152 PolarHBondContact O-N 3.36Å; V152-V154 PolarHBondContact O-N 3.2Å; V152-V154 VanDerWaalsContact O-N 3.1Å; V152-G155 PolarHBondContact O-N 2.77Å; V152-Y156 WeakPolarHBondContact CA-O 3.12Å; V152-R158 HydrophobicContact CG2-CG 3.9Å
153	N	89.3	Confident	94.3	Very high	41 Å²	41	28.6 Å²	28.6	22%	0.219	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.9	176.3	-75.3	-23.5	0	0	0	114.6	T36 E149 H150 L151	T36-N153 PolarHBondContact OG1-ND2 3.18Å; E149-N153 WeakPolarHBondContact O-CB 3.16Å; E149-N153 VanDerWaalsContact O-CG 3.3Å; E149-N153 PolarHBondContact O-N 3.2Å; E149-N153 PolarHBondContact O-ND2 2.87Å; H150-N153 PolarHBondContact O-N 3.49Å; L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 3.37Å
154	V	87	Confident	94.6	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.042	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	10.4	174.4	-53.9	0	0	0	0	113.2	K39 H150 L151 V152 Y156 Q414	K39-V154 HydrophobicContact CB-CG1 4.16Å; H150-V154 PolarHBondContact O-N 2.83Å; L151-V154 CarbonylContact O-C 3.46Å; L151-V154 WeakPolarHBondContact O-CG2 3.34Å; L151-V154 PolarHBondContact O-N 2.88Å; L151-V154 VanDerWaalsContact O-N 3.09Å; V152-V154 PolarHBondContact O-N 3.2Å; V152-V154 VanDerWaalsContact O-N 3.1Å; V154-Y156 HydrophobicContact CG2-CD2 4.16Å; V154-Q414 HydrophobicContact CG1-CG 4.37Å; V154-Q414 HydrophobicContact CG2-CG 4.44Å
155	G	88.7	Confident	94.7	Very high	33 Å²	33	27.8 Å²	27.8	34%	0.34	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.9	5.6	171.5	0	0	0	0	0	115.9	L151 V152	L151-G155 PolarHBondContact O-N 2.96Å; V152-G155 PolarHBondContact O-N 2.77Å
156	Y	94	Very high	94.8	Very high	6 Å²	6	26 Å²	26	2%	0.024	14%	0.138	C	C	.	.			trans	-72.6	157.4	167.6	-76.8	-101.9	0	0	0	111.4	T45 S46 L48 L151 V152 V154 T161 V162 L417	T45-Y156 HydrophobicContact CG2-CE2 4.07Å; S46-Y156 WeakPolarHBondContact O-CE1 3.38Å; S46-Y156 PolarHBondContact O-OH 3.3Å; L48-Y156 HydrophobicContact CB-CE1 4.09Å; L151-Y156 HydrophobicContact CB-CD2 3.98Å; L151-Y156 HydrophobicContact CB-CG 3.99Å; L151-Y156 HydrophobicContact CD2-CD2 4.03Å; L151-Y156 HydrophobicContact CD2-CE2 4.04Å; L151-Y156 WeakPolarHBondContact O-CB 3.41Å; L151-Y156 PolarHBondContact O-N 2.86Å; V152-Y156 WeakPolarHBondContact CA-O 3.12Å; V154-Y156 HydrophobicContact CG2-CD2 4.16Å; Y156-T161 WeakPolarHBondContact CA-OG1 3.48Å; Y156-T161 WeakPolarHBondContact CD1-OG1 3.36Å; Y156-V162 HydrophobicContact CD1-CB 3.9Å; Y156-V162 HydrophobicContact CD1-CG1 4.47Å; Y156-V162 HydrophobicContact CG-CB 4.49Å; Y156-L417 HydrophobicContact CE2-CD1 4.05Å; Y156-L417 WeakPolarHBondContact OH-CB 3.33Å
157	V	95.1	Very high	95.1	Very high	64 Å²	64	25.9 Å²	25.9	39%	0.388	14%	0.137	S	C	.	.			trans	-124.2	122.1	178.5	-176.8	0	0	0	0	107.6	E160 T161 V162	V157-E160 HydrophobicContact CB-CB 3.9Å; V157-E160 HydrophobicContact CG1-CB 3.89Å; V157-E160 HydrophobicContact CG1-CG 4.05Å; V157-E160 PolarHBondContact O-N 3.39Å; V157-E160 VanDerWaalsContact O-N 3.15Å; V157-T161 PolarHBondContact N-OG1 2.94Å; V157-T161 PolarHBondContact O-N 3.5Å; V157-V162 PolarHBondContact O-N 2.85Å
158	R	97.7	Very high	95.3	Very high	69 Å²	69	26.7 Å²	26.7	26%	0.26	14%	0.141	S	C	.	.	B	Isolated β-bridge	trans	-54.4	138.3	176.4	-76.8	178.9	170.6	89.6	2.5	109.9	E133 V148 E149 V152 E160	E133-R158 IonicContact OE1-CZ 3.17Å; E133-R158 IonicContact OE1-NE 3.88Å; E133-R158 PolarHBondContact OE1-NE 2.99Å; E133-R158 IonicContact OE1-NH2 3.96Å; E133-R158 IonicContact OE2-CZ 3.41Å; E133-R158 IonicContact OE2-NE 2.86Å; E133-R158 PolarHBondContact OE2-NE 2.95Å; E133-R158 IonicContact OE2-NH2 3Å; E133-R158 PolarHBondContact OE2-NH2 3.21Å; V148-R158 HydrophobicContact CG1-CG 3.66Å; E149-R158 IonicContact OE2-CZ 3.55Å; E149-R158 IonicContact OE2-NH1 2.69Å; E149-R158 PolarHBondContact OE2-NH1 2.73Å; E149-R158 IonicContact OE2-NH2 3.83Å; E149-R158 PolarHBondContact OE2-NH2 3.01Å; V152-R158 HydrophobicContact CG2-CG 3.9Å; R158-E160 PolarHBondContact O-N 3.26Å
159	N	97	Very high	95.3	Very high	52 Å²	52	26.7 Å²	26.7	28%	0.278	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	18.6	178.2	-47.8	-18.3	0	0	0	113	E128 T129 V162 R163	E128-N159 VanDerWaalsContact CA-OD1 3.23Å; E128-N159 WeakPolarHBondContact CA-OD1 3.23Å; T129-N159 PolarHBondContact N-OD1 3.16Å; T129-N159 PolarHBondContact OG1-OD1 2.83Å; N159-V162 PolarHBondContact N-O 2.96Å; N159-R163 PolarHBondContact O-NE 3.48Å; N159-R163 PolarHBondContact O-NH1 2.76Å; N159-R163 PolarHBondContact O-NH2 2.75Å
160	E	95.2	Very high	95.4	Very high	92 Å²	92	23.7 Å²	23.7	43%	0.43	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-86.3	178.2	-78.2	-173.6	-132.5	0	0	108.3	V157 R158 Y194	V157-E160 HydrophobicContact CB-CB 3.9Å; V157-E160 HydrophobicContact CG1-CB 3.89Å; V157-E160 HydrophobicContact CG1-CG 4.05Å; V157-E160 PolarHBondContact O-N 3.39Å; V157-E160 VanDerWaalsContact O-N 3.15Å; R158-E160 PolarHBondContact O-N 3.26Å; E160-Y194 WeakPolarHBondContact CA-OH 3.49Å; E160-Y194 VanDerWaalsContact CB-OH 3.26Å; E160-Y194 WeakPolarHBondContact CB-OH 3.45Å; E160-Y194 WeakPolarHBondContact O-CE2 3.48Å; E160-Y194 PolarHBondContact O-OH 3.28Å; E160-Y194 VanDerWaalsContact O-OH 3.11Å
161	T	95.6	Very high	95.6	Very high	22 Å²	22	24.2 Å²	24.2	14%	0.135	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-21.4	-179	54.1	0	0	0	0	112.7	P47 L48 Y156 V157 Y194	P47-T161 CarbonylContact C-O 3.53Å; P47-T161 WeakPolarHBondContact CA-O 3.48Å; L48-T161 PolarHBondContact N-O 2.81Å; Y156-T161 WeakPolarHBondContact CA-OG1 3.48Å; Y156-T161 WeakPolarHBondContact CD1-OG1 3.36Å; V157-T161 PolarHBondContact N-OG1 2.94Å; V157-T161 PolarHBondContact O-N 3.5Å; T161-Y194 HydrophobicContact CG2-CD1 4.09Å; T161-Y194 HydrophobicContact CG2-CE1 3.59Å; T161-Y194 HydrophobicContact CG2-CE2 4.37Å
162	V	98.4	Very high	95.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.6	165.8	60.5	0	0	0	0	109.9	L48 I50 T129 V148 L151 Y156 V157 N159	L48-V162 HydrophobicContact CD2-CG2 4.33Å; L48-V162 WeakPolarHBondContact O-CA 3.26Å; I50-V162 HydrophobicContact CD1-CG2 3.91Å; I50-V162 HydrophobicContact CG1-CG2 4.44Å; T129-V162 HydrophobicContact CG2-CG1 4.42Å; T129-V162 HydrophobicContact CG2-CG2 4.44Å; T129-V162 WeakPolarHBondContact CG2-O 3.45Å; V148-V162 HydrophobicContact CG1-CG1 4.4Å; L151-V162 HydrophobicContact CD1-CG2 3.94Å; Y156-V162 HydrophobicContact CD1-CB 3.9Å; Y156-V162 HydrophobicContact CD1-CG1 4.47Å; Y156-V162 HydrophobicContact CG-CB 4.49Å; V157-V162 PolarHBondContact O-N 2.85Å; N159-V162 PolarHBondContact N-O 2.96Å
163	R	98.7	Very high	96	Very high	36 Å²	36	22.2 Å²	22.2	14%	0.136	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.3	-174.5	-66.1	-82.8	-156.5	175.8	9.7	109.8	L48 I49 I50 G127 N159 L186 E189 M190	L48-R163 PolarHBondContact O-N 3.18Å; I49-R163 CarbonylContact C-O 3.6Å; I49-R163 WeakPolarHBondContact CA-O 3.29Å; I49-R163 HydrophobicContact CG1-CB 4.34Å; I50-R163 PolarHBondContact N-O 2.76Å; G127-R163 WeakPolarHBondContact O-CD 3.2Å; G127-R163 PolarHBondContact O-NH1 3.15Å; N159-R163 PolarHBondContact O-NE 3.48Å; N159-R163 PolarHBondContact O-NH1 2.76Å; N159-R163 PolarHBondContact O-NH2 2.75Å; R163-L186 HydrophobicContact CB-CD2 4.32Å; R163-L186 HydrophobicContact CG-CD1 4.35Å; R163-E189 IonicContact CZ-OE1 2.84Å; R163-E189 IonicContact NH2-OE1 2.75Å; R163-E189 PolarHBondContact NH2-OE1 3.26Å; R163-M190 HydrophobicContact CB-CE 4Å; R163-M190 HydrophobicContact CB-SD 3.89Å; R163-M190 HydrophobicContact CG-CE 3.49Å; R163-M190 VanDerWaalsContact CG-CE 3.49Å; R163-M190 HydrophobicContact CG-CG 4.28Å; R163-M190 HydrophobicContact CG-SD 3.52Å; R163-M190 VanDerWaalsContact CG-SD 3.52Å
164	G	98.7	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	142.9	169.8	0	0	0	0	0	111.4	G127 E128 P166	G127-G164 VanDerWaalsContact CA-O 3.32Å; G127-G164 WeakPolarHBondContact CA-O 3.19Å; G127-G164 PolarHBondContact N-O 3.48Å; E128-G164 VanDerWaalsContact O-CA 3.24Å; E128-G164 WeakPolarHBondContact O-CA 3.41Å; E128-G164 PolarHBondContact O-N 2.81Å; G164-P166 VanDerWaalsContact O-CD 3.31Å; G164-P166 WeakPolarHBondContact O-CD 3.07Å
165	A	98.8	Very high	96.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.			trans	-118.6	67.7	171.5	0	0	0	0	0	110.3	I49 I50 V51 F126 Y179 L183 L186	I49-A165 HydrophobicContact CG2-CB 3.59Å; I50-A165 PolarHBondContact O-N 3.16Å; V51-A165 HydrophobicContact CG2-CB 4.22Å; F126-A165 HydrophobicContact CE2-CB 4.21Å; F126-A165 HydrophobicContact CZ-CB 4.44Å; A165-Y179 HydrophobicContact CB-CE2 4.21Å; A165-Y179 WeakPolarHBondContact O-CE2 3.34Å; A165-Y179 PolarHBondContact O-OH 3.26Å; A165-L183 HydrophobicContact CB-CD1 3.84Å; A165-L186 HydrophobicContact CB-CD2 4.45Å
166	P	98.7	Very high	97.2	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.118	C	C	.	.			trans	-64.4	153.3	176.2	32.4	-39.6	0	0	0	111.3	N57 V123 I132 G164 Y179	N57-P166 HydrophobicContact CB-CB 3.52Å; N57-P166 VanDerWaalsContact CG-CB 3.45Å; V123-P166 HydrophobicContact CG1-CB 3.61Å; V123-P166 HydrophobicContact CG1-CG 3.86Å; I132-P166 HydrophobicContact CG2-CB 4.12Å; G164-P166 VanDerWaalsContact O-CD 3.31Å; G164-P166 WeakPolarHBondContact O-CD 3.07Å; P166-Y179 WeakPolarHBondContact O-CE2 3.28Å
167	Y	98.7	Very high	97.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	14%	0.143	C	C	.	.			trans	-143.8	173.7	-179	58.7	-83.2	0	0	0	111.7	V51 P52 N57 V123 W169 Y179 M205 Y209	V51-Y167 HydrophobicContact CG1-CD1 4.27Å; V51-Y167 HydrophobicContact CG1-CE1 3.82Å; P52-Y167 HydrophobicContact CG-CD1 4.32Å; P52-Y167 HydrophobicContact CG-CE1 4.05Å; P52-Y167 VanDerWaalsContact O-CE1 3.31Å; P52-Y167 WeakPolarHBondContact O-CE1 3.13Å; P52-Y167 PolarHBondContact O-OH 3.23Å; P52-Y167 VanDerWaalsContact O-OH 3.08Å; N57-Y167 PolarHBondContact ND2-O 3.19Å; N57-Y167 PolarHBondContact OD1-N 2.87Å; N57-Y167 VanDerWaalsContact OD1-N 3.14Å; N57-Y167 PolarHBondContact OD1-O 3.43Å; V123-Y167 VanDerWaalsContact CG2-C 3.43Å; Y167-W169 HydrophobicContact CD2-CB 4.15Å; Y167-W169 HydrophobicContact CE2-CB 3.74Å; Y167-W169 PolarHBondContact O-N 3.11Å; Y167-W169 VanDerWaalsContact O-N 3.12Å; Y167-Y179 HydrophobicContact CD1-CE2 4.26Å; Y167-Y179 HydrophobicContact CG-CE2 4.34Å; Y167-M205 HydrophobicContact CE2-CE 4.05Å; Y167-M205 WeakPolarHBondContact OH-CE 3.33Å; Y167-Y209 HydrophobicContact CD2-CD1 4.26Å; Y167-Y209 AromaticContact CD2-CE1 3.69Å; Y167-Y209 HydrophobicContact CD2-CE1 3.69Å; Y167-Y209 HydrophobicContact CD2-CE2 4.02Å; Y167-Y209 AromaticContact CD2-CZ 3.55Å; Y167-Y209 HydrophobicContact CE1-CG 4.44Å; Y167-Y209 HydrophobicContact CE2-CD1 4.25Å; Y167-Y209 AromaticContact CE2-CD2 3.77Å; Y167-Y209 HydrophobicContact CE2-CD2 3.77Å; Y167-Y209 AromaticContact CE2-CE1 3.87Å; Y167-Y209 HydrophobicContact CE2-CE1 3.87Å; Y167-Y209 AromaticContact CE2-CE2 3.34Å; Y167-Y209 HydrophobicContact CE2-CE2 3.34Å; Y167-Y209 HydrophobicContact CE2-CG 4.19Å; Y167-Y209 AromaticContact CE2-CZ 3.4Å; Y167-Y209 HydrophobicContact CG-CD1 4.46Å; Y167-Y209 HydrophobicContact CG-CE1 4.19Å; Y167-Y209 AromaticContact CZ-CD2 3.78Å; Y167-Y209 AromaticContact CZ-CE2 3.86Å
168	D	98.3	Very high	97.4	Very high	17 Å²	17	27 Å²	27	9%	0.091	15%	0.151	C	C	.	.			trans	-79.8	93	170.9	-167.4	-18.6	0	0	0	108.2	V123 R170 L171 N176	V123-D168 HydrophobicContact CG2-CB 4.05Å; D168-R170 PolarHBondContact O-N 3.46Å; D168-R170 WeakPolarHBondContact OD1-CB 3.34Å; D168-R170 WeakPolarHBondContact OD1-CG 3.43Å; D168-R170 IonicContact OD1-CZ 2.73Å; D168-R170 PolarHBondContact OD1-N 3.18Å; D168-R170 IonicContact OD1-NE 3.95Å; D168-R170 PolarHBondContact OD1-NE 3.27Å; D168-R170 IonicContact OD1-NH2 3.35Å; D168-R170 IonicContact OD2-CZ 3.82Å; D168-R170 IonicContact OD2-NE 3.55Å; D168-R170 IonicContact OD2-NH2 3.5Å; D168-R170 PolarHBondContact OD2-NH2 3.13Å; D168-L171 HydrophobicContact CB-CD1 4.28Å; D168-L171 PolarHBondContact O-N 2.85Å; D168-N176 PolarHBondContact O-ND2 3.06Å; D168-N176 VanDerWaalsContact O-ND2 3.16Å
169	W	96.9	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3.8	-175.2	50.3	-108.3	0	0	0	113.9	L55 N57 L59 W84 I102 Y167 M205 M269 T271	L55-W169 HydrophobicContact CD2-CD2 4.12Å; L55-W169 HydrophobicContact CD2-CE3 3.7Å; L55-W169 HydrophobicContact CD2-CH2 3.22Å; L55-W169 HydrophobicContact CD2-CZ2 3.63Å; L55-W169 HydrophobicContact CD2-CZ3 3.27Å; N57-W169 PolarHBondContact O-NE1 2.96Å; L59-W169 HydrophobicContact CD1-CD2 4.4Å; L59-W169 HydrophobicContact CD1-CH2 4.21Å; L59-W169 HydrophobicContact CD1-CZ2 3.57Å; L59-W169 HydrophobicContact CG-CZ2 4.23Å; W84-W169 HydrophobicContact CB-CZ2 3.92Å; W84-W169 AromaticContact CD1-CZ2 3.73Å; W84-W169 AromaticContact CD1-NE1 3.98Å; W84-W169 AromaticContact CD2-CZ2 3.99Å; W84-W169 HydrophobicContact CD2-CZ2 3.99Å; W84-W169 HydrophobicContact CG-CH2 4.48Å; W84-W169 AromaticContact CG-CZ2 3.6Å; W84-W169 HydrophobicContact CG-CZ2 3.6Å; I102-W169 HydrophobicContact CD1-CH2 3.74Å; I102-W169 HydrophobicContact CD1-CZ2 4.33Å; Y167-W169 HydrophobicContact CD2-CB 4.15Å; Y167-W169 HydrophobicContact CE2-CB 3.74Å; Y167-W169 PolarHBondContact O-N 3.11Å; Y167-W169 VanDerWaalsContact O-N 3.12Å; W169-M205 HydrophobicContact CB-CE 3.88Å; W169-M269 HydrophobicContact CE3-SD 4.14Å; W169-M269 HydrophobicContact CH2-CE 4.12Å; W169-M269 HydrophobicContact CZ3-CE 3.5Å; W169-M269 HydrophobicContact CZ3-SD 3.63Å; W169-T271 WeakPolarHBondContact O-CG2 3.41Å; W169-T271 PolarHBondContact O-OG1 2.99Å
170	R	97.3	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-26.2	172.7	-56.2	172.6	-61.4	154.4	5.8	112.2	L59 I102 L104 N115 D168 M269 T270	L59-R170 HydrophobicContact CD1-CG 4.29Å; I102-R170 WeakPolarHBondContact O-CD 3.49Å; I102-R170 PolarHBondContact O-NH1 3.36Å; L104-R170 HydrophobicContact CD1-CB 3.78Å; L104-R170 HydrophobicContact CG-CB 4.28Å; N115-R170 PolarHBondContact OD1-NH1 3.41Å; N115-R170 PolarHBondContact OD1-NH2 3.03Å; D168-R170 PolarHBondContact O-N 3.46Å; D168-R170 WeakPolarHBondContact OD1-CB 3.34Å; D168-R170 WeakPolarHBondContact OD1-CG 3.43Å; D168-R170 IonicContact OD1-CZ 2.73Å; D168-R170 PolarHBondContact OD1-N 3.18Å; D168-R170 IonicContact OD1-NE 3.95Å; D168-R170 PolarHBondContact OD1-NE 3.27Å; D168-R170 IonicContact OD1-NH2 3.35Å; D168-R170 IonicContact OD2-CZ 3.82Å; D168-R170 IonicContact OD2-NE 3.55Å; D168-R170 IonicContact OD2-NH2 3.5Å; D168-R170 PolarHBondContact OD2-NH2 3.13Å; R170-M269 HydrophobicContact CB-CG 4.45Å; R170-M269 HydrophobicContact CG-CG 4.48Å; R170-M269 CarbonylContact O-C 3.51Å; R170-T270 PolarHBondContact O-N 2.83Å; R170-T270 PolarHBondContact O-OG1 2.78Å
171	L	97.2	Very high	97.7	Very high	23 Å²	23	23.5 Å²	23.5	12%	0.12	14%	0.138	C	C	.	.	S	Bend	trans	-99.1	142	-175.8	-67.3	173.7	0	0	0	109.9	L104 D168 E175 N176 Y209 T270 T271	L104-L171 HydrophobicContact CD1-CD2 3.54Å; L104-L171 HydrophobicContact CD1-CG 4.2Å; L104-L171 HydrophobicContact CD2-CD2 4.16Å; D168-L171 HydrophobicContact CB-CD1 4.28Å; D168-L171 PolarHBondContact O-N 2.85Å; L171-E175 HydrophobicContact CB-CB 4.27Å; L171-E175 HydrophobicContact CD2-CB 4.18Å; L171-N176 VanDerWaalsContact CB-ND2 3.33Å; L171-N176 WeakPolarHBondContact CB-ND2 3.4Å; L171-N176 PolarHBondContact O-ND2 3.33Å; L171-N176 VanDerWaalsContact O-ND2 3.12Å; L171-Y209 PolarHBondContact O-OH 3.42Å; L171-T270 WeakPolarHBondContact CA-OG1 3.46Å; L171-T271 VanDerWaalsContact O-CG2 3.23Å; L171-T271 WeakPolarHBondContact O-CG2 3.34Å
172	A	97.1	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.			trans	-76.1	169	170.7	0	0	0	0	0	112.4	N174 E175 N176 T270 W274 T320 L323	A172-N174 VanDerWaalsContact C-N 3.31Å; A172-N174 WeakPolarHBondContact CB-OD1 3.39Å; A172-N174 PolarHBondContact O-N 3.15Å; A172-E175 PolarHBondContact O-N 3.23Å; A172-E175 VanDerWaalsContact O-N 3.08Å; A172-N176 PolarHBondContact O-N 3.28Å; A172-T270 PolarHBondContact N-OG1 2.87Å; A172-W274 HydrophobicContact CB-CB 4.36Å; A172-W274 HydrophobicContact CB-CD2 4.29Å; A172-W274 HydrophobicContact CB-CE3 4.2Å; A172-W274 HydrophobicContact CB-CG 4.38Å; A172-T320 HydrophobicContact CB-CG2 3.53Å; A172-L323 HydrophobicContact CB-CD1 4.15Å
173	P	97.6	Very high	97.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-55	-37	-176.2	-32.7	36.5	0	0	0	116	E175 N176 F180 Y209 Y212 W274 L323	P173-E175 PolarHBondContact O-N 2.82Å; P173-E175 VanDerWaalsContact O-N 3.14Å; P173-N176 PolarHBondContact O-N 2.78Å; P173-F180 HydrophobicContact CB-CE2 3.85Å; P173-F180 HydrophobicContact CB-CZ 3.79Å; P173-F180 HydrophobicContact CG-CZ 4.41Å; P173-F180 WeakPolarHBondContact O-CE2 3.41Å; P173-Y209 HydrophobicContact CG-CD2 4.34Å; P173-Y209 HydrophobicContact CG-CE1 4.36Å; P173-Y209 HydrophobicContact CG-CE2 4.05Å; P173-Y212 HydrophobicContact CB-CD1 3.62Å; P173-Y212 HydrophobicContact CB-CD2 3.8Å; P173-Y212 HydrophobicContact CB-CE1 3.75Å; P173-Y212 HydrophobicContact CB-CE2 3.92Å; P173-Y212 HydrophobicContact CB-CG 3.63Å; P173-Y212 HydrophobicContact CG-CD2 4.36Å; P173-Y212 HydrophobicContact CG-CG 4.16Å; P173-W274 VanDerWaalsContact CD-CZ3 3.43Å; P173-W274 HydrophobicContact CG-CH2 3.3Å; P173-W274 HydrophobicContact CG-CZ2 3.55Å; P173-W274 HydrophobicContact CG-CZ3 3.88Å; P173-L323 HydrophobicContact CB-CD1 4.27Å; P173-L323 HydrophobicContact CG-CD1 4.32Å
174	N	96.4	Very high	97.8	Very high	58 Å²	58	28.3 Å²	28.3	31%	0.31	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-58.3	-26.5	178.1	60.5	-33.1	0	0	0	113.4	A172 L323	A172-N174 VanDerWaalsContact C-N 3.31Å; A172-N174 WeakPolarHBondContact CB-OD1 3.39Å; A172-N174 PolarHBondContact O-N 3.15Å; N174-L323 HydrophobicContact CB-CD1 4.23Å; N174-L323 HydrophobicContact CB-CD2 3.98Å
175	E	96.6	Very high	97.8	Very high	45 Å²	45	34.3 Å²	34.3	21%	0.21	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-102.1	3.1	179.4	-54.9	-160.2	88.1	0	0	113.1	R112 S113 L171 A172 P173	R112-E175 VanDerWaalsContact CA-OE1 3.23Å; R112-E175 WeakPolarHBondContact CA-OE1 3.35Å; R112-E175 WeakPolarHBondContact CB-OE1 3.24Å; S113-E175 VanDerWaalsContact CB-OE2 3.31Å; S113-E175 WeakPolarHBondContact CB-OE2 3.39Å; S113-E175 PolarHBondContact N-OE1 3.28Å; S113-E175 PolarHBondContact OG-OE2 3.46Å; L171-E175 HydrophobicContact CB-CB 4.27Å; L171-E175 HydrophobicContact CD2-CB 4.18Å; A172-E175 PolarHBondContact O-N 3.23Å; A172-E175 VanDerWaalsContact O-N 3.08Å; P173-E175 PolarHBondContact O-N 2.82Å; P173-E175 VanDerWaalsContact O-N 3.14Å
176	N	96.3	Very high	97.9	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.08	19%	0.188	C	C	.	.			trans	-112.8	27.8	-177.4	-95.7	-56.3	0	0	0	113.2	D168 L171 A172 P173 A178 Y179 F180 Y209	D168-N176 PolarHBondContact O-ND2 3.06Å; D168-N176 VanDerWaalsContact O-ND2 3.16Å; L171-N176 VanDerWaalsContact CB-ND2 3.33Å; L171-N176 WeakPolarHBondContact CB-ND2 3.4Å; L171-N176 PolarHBondContact O-ND2 3.33Å; L171-N176 VanDerWaalsContact O-ND2 3.12Å; A172-N176 PolarHBondContact O-N 3.28Å; P173-N176 PolarHBondContact O-N 2.78Å; N176-A178 VanDerWaalsContact C-N 3.28Å; N176-A178 PolarHBondContact O-N 2.98Å; N176-A178 VanDerWaalsContact O-N 3.16Å; N176-Y179 VanDerWaalsContact O-CB 3.31Å; N176-Y179 WeakPolarHBondContact O-CB 3.47Å; N176-Y179 PolarHBondContact O-N 2.86Å; N176-F180 HydrophobicContact CB-CE2 4.21Å; N176-F180 VanDerWaalsContact O-CD2 3.31Å; N176-F180 WeakPolarHBondContact O-CD2 3.37Å; N176-F180 PolarHBondContact O-N 3.01Å; N176-Y209 HydrophobicContact CB-CE1 4.13Å; N176-Y209 PolarHBondContact ND2-OH 2.71Å
177	A	96.6	Very high	97.9	Very high	66 Å²	66	34.5 Å²	34.5	55%	0.545	19%	0.188	S	C	.	.	H	α-helix	trans	-52.8	-40.8	-176.9	0	0	0	0	0	114.1	Y179 F180 L181	A177-Y179 VanDerWaalsContact C-N 3.28Å; A177-Y179 PolarHBondContact O-N 3.38Å; A177-F180 PolarHBondContact O-N 3.17Å; A177-L181 PolarHBondContact O-N 3.12Å
178	A	97.5	Very high	97.9	Very high	67 Å²	67	36.9 Å²	36.9	55%	0.554	20%	0.199	S	C	*	.	H	α-helix	trans	-65.4	-29.7	178.4	0	0	0	0	0	113.1	N176 K182	N176-A178 VanDerWaalsContact C-N 3.28Å; N176-A178 PolarHBondContact O-N 2.98Å; N176-A178 VanDerWaalsContact O-N 3.16Å; A178-K182 WeakPolarHBondContact O-CG 3.01Å; A178-K182 PolarHBondContact O-N 3.08Å
179	Y	98.6	Very high	97.9	Very high	13 Å²	13	40.4 Å²	40.4	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-43.6	174.1	162.5	-96.2	0	0	0	111.1	V51 F126 A165 P166 Y167 N176 A177 L181 K182 L183 Y209	V51-Y179 WeakPolarHBondContact CG1-OH 3.45Å; F126-Y179 HydrophobicContact CD2-CD2 4.4Å; F126-Y179 HydrophobicContact CD2-CE2 4.46Å; F126-Y179 AromaticContact CE2-CD2 3.72Å; F126-Y179 HydrophobicContact CE2-CD2 3.72Å; F126-Y179 AromaticContact CE2-CE2 3.68Å; F126-Y179 HydrophobicContact CE2-CE2 3.68Å; A165-Y179 HydrophobicContact CB-CE2 4.21Å; A165-Y179 WeakPolarHBondContact O-CE2 3.34Å; A165-Y179 PolarHBondContact O-OH 3.26Å; P166-Y179 WeakPolarHBondContact O-CE2 3.28Å; Y167-Y179 HydrophobicContact CD1-CE2 4.26Å; Y167-Y179 HydrophobicContact CG-CE2 4.34Å; N176-Y179 VanDerWaalsContact O-CB 3.31Å; N176-Y179 WeakPolarHBondContact O-CB 3.47Å; N176-Y179 PolarHBondContact O-N 2.86Å; A177-Y179 VanDerWaalsContact C-N 3.28Å; A177-Y179 PolarHBondContact O-N 3.38Å; Y179-L181 VanDerWaalsContact C-N 3.31Å; Y179-L181 PolarHBondContact O-N 3.14Å; Y179-K182 PolarHBondContact O-N 2.93Å; Y179-K182 VanDerWaalsContact O-N 3.16Å; Y179-L183 HydrophobicContact CE1-CD2 4.08Å; Y179-L183 WeakPolarHBondContact O-CB 3.19Å; Y179-L183 PolarHBondContact O-N 3.35Å; Y179-Y209 HydrophobicContact CD1-CD1 4.1Å; Y179-Y209 HydrophobicContact CD1-CE1 4.24Å; Y179-Y209 AromaticContact CE1-CD1 3.74Å; Y179-Y209 HydrophobicContact CE1-CD1 3.74Å; Y179-Y209 HydrophobicContact CE1-CE1 4.3Å
180	F	98.7	Very high	97.9	Very high	21 Å²	21	40.4 Å²	40.4	9%	0.092	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-32.5	-179	-65	-63	0	0	0	113.1	P173 N176 A177 L183 Q184 Y209 Y212 F213	P173-F180 HydrophobicContact CB-CE2 3.85Å; P173-F180 HydrophobicContact CB-CZ 3.79Å; P173-F180 HydrophobicContact CG-CZ 4.41Å; P173-F180 WeakPolarHBondContact O-CE2 3.41Å; N176-F180 HydrophobicContact CB-CE2 4.21Å; N176-F180 VanDerWaalsContact O-CD2 3.31Å; N176-F180 WeakPolarHBondContact O-CD2 3.37Å; N176-F180 PolarHBondContact O-N 3.01Å; A177-F180 PolarHBondContact O-N 3.17Å; F180-L183 PolarHBondContact O-N 3.49Å; F180-Q184 WeakPolarHBondContact O-CB 3.41Å; F180-Q184 PolarHBondContact O-N 2.02Å; F180-Y209 AromaticContact CE1-CD1 3.75Å; F180-Y209 HydrophobicContact CE1-CD1 3.75Å; F180-Y209 HydrophobicContact CE1-CE1 4.39Å; F180-Y209 HydrophobicContact CE2-CE1 4.42Å; F180-Y209 AromaticContact CZ-CD1 3.48Å; F180-Y209 HydrophobicContact CZ-CD1 3.48Å; F180-Y209 VanDerWaalsContact CZ-CD1 3.48Å; F180-Y209 AromaticContact CZ-CE1 3.74Å; F180-Y209 HydrophobicContact CZ-CE1 3.74Å; F180-Y209 HydrophobicContact CZ-CG 4.42Å; F180-Y212 HydrophobicContact CD2-CD1 4.3Å; F180-Y212 HydrophobicContact CD2-CE1 4.1Å; F180-Y212 AromaticContact CE1-CD1 3.97Å; F180-Y212 HydrophobicContact CE1-CD1 3.97Å; F180-Y212 AromaticContact CE2-CD1 3.65Å; F180-Y212 HydrophobicContact CE2-CD1 3.65Å; F180-Y212 AromaticContact CE2-CE1 3.65Å; F180-Y212 HydrophobicContact CE2-CE1 3.65Å; F180-Y212 AromaticContact CZ-CD1 3.46Å; F180-Y212 HydrophobicContact CZ-CD1 3.46Å; F180-Y212 VanDerWaalsContact CZ-CD1 3.46Å; F180-Y212 AromaticContact CZ-CE1 3.98Å; F180-Y212 HydrophobicContact CZ-CE1 3.98Å; F180-Y212 HydrophobicContact CZ-CG 4.37Å; F180-F213 HydrophobicContact CB-CD2 4.2Å; F180-F213 HydrophobicContact CD1-CB 3.8Å; F180-F213 AromaticContact CD1-CD2 3.81Å; F180-F213 HydrophobicContact CD1-CD2 3.81Å; F180-F213 HydrophobicContact CD1-CG 4.22Å; F180-F213 HydrophobicContact CE1-CB 3.95Å; F180-F213 HydrophobicContact CG-CD2 4.42Å
181	L	98.5	Very high	97.9	Very high	107 Å²	107	42.5 Å²	42.5	56%	0.56	22%	0.223	S	C	*	.	H	α-helix	trans	-63.2	-48.2	170.7	-65.6	176.2	0	0	0	111.1	A177 Y179 L183 Q184 E185	A177-L181 PolarHBondContact O-N 3.12Å; Y179-L181 VanDerWaalsContact C-N 3.31Å; Y179-L181 PolarHBondContact O-N 3.14Å; L181-L183 VanDerWaalsContact C-N 3.3Å; L181-L183 PolarHBondContact O-N 3.44Å; L181-Q184 WeakPolarHBondContact O-CB 3.39Å; L181-Q184 PolarHBondContact O-N 2.87Å; L181-E185 WeakPolarHBondContact O-CG 3.41Å; L181-E185 PolarHBondContact O-N 2.77Å
182	K	98.6	Very high	97.9	Very high	108 Å²	108	45.7 Å²	45.7	47%	0.47	24%	0.241	S	C	.	.	H	α-helix	trans	-62.7	-36	176.2	-68.6	179.2	177.2	-174.3	0	112.8	F126 A178 Y179 E185 L186	F126-K182 HydrophobicContact CD1-CB 4.34Å; F126-K182 HydrophobicContact CE1-CB 3.64Å; F126-K182 HydrophobicContact CE2-CB 4.02Å; F126-K182 HydrophobicContact CZ-CB 3.46Å; F126-K182 VanDerWaalsContact CZ-CB 3.46Å; A178-K182 WeakPolarHBondContact O-CG 3.01Å; A178-K182 PolarHBondContact O-N 3.08Å; Y179-K182 PolarHBondContact O-N 2.93Å; Y179-K182 VanDerWaalsContact O-N 3.16Å; K182-E185 PolarHBondContact O-N 2.92Å; K182-L186 WeakPolarHBondContact O-CB 3.44Å; K182-L186 PolarHBondContact O-N 2.99Å
183	L	98.9	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-41.8	176.4	179.1	59.9	0	0	0	111.1	I49 A165 Y179 F180 L181 L186 V187 F213	I49-L183 HydrophobicContact CD1-CD1 4.38Å; I49-L183 HydrophobicContact CG2-CD1 3.98Å; A165-L183 HydrophobicContact CB-CD1 3.84Å; Y179-L183 HydrophobicContact CE1-CD2 4.08Å; Y179-L183 WeakPolarHBondContact O-CB 3.19Å; Y179-L183 PolarHBondContact O-N 3.35Å; F180-L183 PolarHBondContact O-N 3.49Å; L181-L183 VanDerWaalsContact C-N 3.3Å; L181-L183 PolarHBondContact O-N 3.44Å; L183-L186 PolarHBondContact O-N 2.77Å; L183-V187 WeakPolarHBondContact O-CG2 3.15Å; L183-V187 PolarHBondContact O-N 2.86Å; L183-F213 HydrophobicContact CB-CE2 4.41Å; L183-F213 HydrophobicContact CD2-CB 4.28Å; L183-F213 HydrophobicContact CD2-CD1 3.87Å; L183-F213 HydrophobicContact CD2-CD2 4.02Å; L183-F213 HydrophobicContact CD2-CE1 4.16Å; L183-F213 HydrophobicContact CD2-CE2 4.29Å; L183-F213 HydrophobicContact CD2-CG 3.79Å; L183-F213 HydrophobicContact CD2-CZ 4.36Å; L183-F213 HydrophobicContact CG-CD1 4.44Å; L183-F213 HydrophobicContact CG-CD2 4.49Å; L183-F213 HydrophobicContact CG-CE1 4.23Å; L183-F213 HydrophobicContact CG-CE2 4.26Å; L183-F213 HydrophobicContact CG-CZ 4.14Å
184	Q	98.9	Very high	97.5	Very high	51 Å²	51	52.8 Å²	52.8	24%	0.238	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-48	173.1	-175.1	177.8	-22.2	0	0	111.4	F180 L181 L186 V187 E188 F213 W221	F180-Q184 WeakPolarHBondContact O-CB 3.41Å; F180-Q184 PolarHBondContact O-N 2.02Å; L181-Q184 WeakPolarHBondContact O-CB 3.39Å; L181-Q184 PolarHBondContact O-N 2.87Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 3.36Å; Q184-V187 PolarHBondContact O-N 3.18Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.29Å; Q184-E188 PolarHBondContact NE2-OE1 3.06Å; Q184-E188 WeakPolarHBondContact O-CG 3.37Å; Q184-E188 PolarHBondContact O-N 2.9Å; Q184-F213 HydrophobicContact CB-CE2 4.01Å; Q184-F213 HydrophobicContact CB-CZ 4.09Å; Q184-W221 HydrophobicContact CB-CZ2 4.46Å; Q184-W221 HydrophobicContact CG-CZ2 3.65Å
185	E	98.8	Very high	97.5	Very high	125 Å²	125	56.5 Å²	56.5	58%	0.584	29%	0.287	S	S	*	.	H	α-helix	trans	-58.5	-43.4	176.6	-72.1	169.6	-175.8	0	0	111.8	L181 K182 V187 E188 E189	L181-E185 WeakPolarHBondContact O-CG 3.41Å; L181-E185 PolarHBondContact O-N 2.77Å; K182-E185 PolarHBondContact O-N 2.92Å; E185-V187 PolarHBondContact O-N 2.84Å; E185-E188 PolarHBondContact O-N 2.98Å; E185-E189 WeakPolarHBondContact O-CB 3.43Å; E185-E189 PolarHBondContact O-N 3.02Å
186	L	98.9	Very high	97.4	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-40.2	177.6	-178.8	62.9	0	0	0	112.3	I49 F126 R163 A165 K182 L183 Q184 M190	I49-L186 HydrophobicContact CD1-CB 4.42Å; I49-L186 HydrophobicContact CD1-CD2 3.94Å; I49-L186 HydrophobicContact CD1-CG 3.81Å; I49-L186 HydrophobicContact CG1-CD2 4.17Å; I49-L186 HydrophobicContact CG1-CG 4.36Å; I49-L186 HydrophobicContact CG2-CD2 4.2Å; F126-L186 HydrophobicContact CE1-CB 4.13Å; F126-L186 HydrophobicContact CE1-CD2 4.03Å; F126-L186 HydrophobicContact CZ-CD2 4.3Å; R163-L186 HydrophobicContact CB-CD2 4.32Å; R163-L186 HydrophobicContact CG-CD1 4.35Å; A165-L186 HydrophobicContact CB-CD2 4.45Å; K182-L186 WeakPolarHBondContact O-CB 3.44Å; K182-L186 PolarHBondContact O-N 2.99Å; L183-L186 PolarHBondContact O-N 2.77Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 3.36Å; L186-M190 HydrophobicContact CD1-CG 4.31Å; L186-M190 HydrophobicContact CD1-SD 4.23Å; L186-M190 HydrophobicContact CG-SD 4.18Å; L186-M190 WeakPolarHBondContact O-CB 3.4Å; L186-M190 VanDerWaalsContact O-CG 3.28Å; L186-M190 WeakPolarHBondContact O-CG 3.45Å; L186-M190 PolarHBondContact O-N 3.44Å
187	V	98.9	Very high	97.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-46.7	174.5	167.4	0	0	0	0	110.6	I49 L183 Q184 E185 M190 Y191 V198 L200 W221 Y225 I226	I49-V187 HydrophobicContact CD1-CB 4.41Å; I49-V187 HydrophobicContact CD1-CG2 3.53Å; L183-V187 WeakPolarHBondContact O-CG2 3.15Å; L183-V187 PolarHBondContact O-N 2.86Å; Q184-V187 PolarHBondContact O-N 3.18Å; E185-V187 PolarHBondContact O-N 2.84Å; V187-M190 PolarHBondContact O-N 2.91Å; V187-Y191 WeakPolarHBondContact O-CB 3.17Å; V187-Y191 PolarHBondContact O-N 2.76Å; V187-V198 HydrophobicContact CG1-CB 4.47Å; V187-V198 HydrophobicContact CG1-CG2 4.37Å; V187-L200 HydrophobicContact CG2-CD2 4.09Å; V187-W221 HydrophobicContact CB-CH2 3.98Å; V187-W221 HydrophobicContact CB-CZ2 4.01Å; V187-W221 HydrophobicContact CG1-CH2 3.58Å; V187-W221 HydrophobicContact CG1-CZ2 3.67Å; V187-W221 HydrophobicContact CG2-CH2 4.23Å; V187-Y225 HydrophobicContact CG1-CG 4.45Å; V187-I226 HydrophobicContact CG1-CD1 3.85Å; V187-I226 HydrophobicContact CG2-CD1 4.27Å
188	E	98.8	Very high	97.5	Very high	53 Å²	53	54.4 Å²	54.4	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-40.6	179.9	-68.8	176.1	-168	0	0	111.7	Q184 E185 Y191 N192 W221 Y225	Q184-E188 WeakPolarHBondContact CG-OE1 3.29Å; Q184-E188 PolarHBondContact NE2-OE1 3.06Å; Q184-E188 WeakPolarHBondContact O-CG 3.37Å; Q184-E188 PolarHBondContact O-N 2.9Å; E185-E188 PolarHBondContact O-N 2.98Å; E188-Y191 PolarHBondContact O-N 2.85Å; E188-N192 WeakPolarHBondContact O-CB 3.43Å; E188-N192 PolarHBondContact O-N 2.98Å; E188-N192 PolarHBondContact O-ND2 3.41Å; E188-W221 HydrophobicContact CG-CZ2 4.39Å; E188-W221 PolarHBondContact OE1-NE1 3.43Å; E188-Y225 HydrophobicContact CG-CD1 4.4Å; E188-Y225 HydrophobicContact CG-CE1 4.11Å; E188-Y225 HydrophobicContact CG-CE2 4.23Å
189	E	98.3	Very high	97.6	Very high	90 Å²	90	51.3 Å²	51.3	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-56.7	-54.3	173.4	-179.2	-166.7	134.2	0	0	111	R163 E185 Y191 N192 Q193	R163-E189 IonicContact CZ-OE1 2.84Å; R163-E189 IonicContact NH2-OE1 2.75Å; R163-E189 PolarHBondContact NH2-OE1 3.26Å; E185-E189 WeakPolarHBondContact O-CB 3.43Å; E185-E189 PolarHBondContact O-N 3.02Å; E189-Y191 VanDerWaalsContact C-N 3.33Å; E189-Y191 PolarHBondContact O-N 3.05Å; E189-N192 PolarHBondContact O-N 2.67Å; E189-Q193 WeakPolarHBondContact O-CB 3.49Å; E189-Q193 PolarHBondContact O-N 2.85Å
190	M	97.8	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-39.7	-179.3	-69.1	176.4	81.3	0	0	111.6	P47 I49 R163 L186 V187 Q193 Y194 V198	P47-M190 HydrophobicContact CB-CB 4.28Å; P47-M190 HydrophobicContact CB-CE 3.36Å; I49-M190 HydrophobicContact CD1-SD 3.63Å; I49-M190 HydrophobicContact CG1-CE 4.11Å; I49-M190 HydrophobicContact CG1-SD 3.31Å; I49-M190 WeakPolarHBondContact CG1-SD 3.44Å; R163-M190 HydrophobicContact CB-CE 4Å; R163-M190 HydrophobicContact CB-SD 3.89Å; R163-M190 HydrophobicContact CG-CE 3.49Å; R163-M190 VanDerWaalsContact CG-CE 3.49Å; R163-M190 HydrophobicContact CG-CG 4.28Å; R163-M190 HydrophobicContact CG-SD 3.52Å; R163-M190 VanDerWaalsContact CG-SD 3.52Å; L186-M190 HydrophobicContact CD1-CG 4.31Å; L186-M190 HydrophobicContact CD1-SD 4.23Å; L186-M190 HydrophobicContact CG-SD 4.18Å; L186-M190 WeakPolarHBondContact O-CB 3.4Å; L186-M190 VanDerWaalsContact O-CG 3.28Å; L186-M190 WeakPolarHBondContact O-CG 3.45Å; L186-M190 PolarHBondContact O-N 3.44Å; V187-M190 PolarHBondContact O-N 2.91Å; M190-Q193 PolarHBondContact O-N 3.24Å; M190-Y194 HydrophobicContact CB-CD2 4.27Å; M190-Y194 HydrophobicContact CB-CE2 4.45Å; M190-Y194 WeakPolarHBondContact O-CD2 3.25Å; M190-Y194 PolarHBondContact O-N 3.49Å; M190-V198 HydrophobicContact CB-CG2 3.9Å; M190-V198 HydrophobicContact SD-CG1 4.48Å
191	Y	97.3	Very high	97.6	Very high	44 Å²	44	49.7 Å²	49.7	17%	0.173	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-48.9	174.7	179.6	-82.1	0	0	0	111.4	V187 E188 E189 Q193 Y194 E195 K196 K224 Y225	V187-Y191 WeakPolarHBondContact O-CB 3.17Å; V187-Y191 PolarHBondContact O-N 2.76Å; E188-Y191 PolarHBondContact O-N 2.85Å; E189-Y191 VanDerWaalsContact C-N 3.33Å; E189-Y191 PolarHBondContact O-N 3.05Å; Y191-Q193 VanDerWaalsContact C-N 3.3Å; Y191-Q193 PolarHBondContact O-N 2.82Å; Y191-Y194 PolarHBondContact O-N 2.9Å; Y191-E195 WeakPolarHBondContact O-CA 3.29Å; Y191-E195 PolarHBondContact O-N 3.24Å; Y191-K196 WeakPolarHBondContact CD2-O 3.42Å; Y191-K224 HydrophobicContact CE2-CG 4.5Å; Y191-K224 VanDerWaalsContact CE2-O 3.29Å; Y191-K224 WeakPolarHBondContact CE2-O 3.18Å; Y191-Y225 AromaticContact CD1-CD1 3.9Å; Y191-Y225 HydrophobicContact CD1-CD1 3.9Å; Y191-Y225 AromaticContact CD1-CE1 3.71Å; Y191-Y225 HydrophobicContact CD1-CE1 3.71Å; Y191-Y225 AromaticContact CD2-CD1 3.72Å; Y191-Y225 HydrophobicContact CD2-CD1 3.72Å; Y191-Y225 HydrophobicContact CD2-CE1 4.35Å; Y191-Y225 HydrophobicContact CE1-CE1 4.3Å; Y191-Y225 HydrophobicContact CE2-CD1 4.37Å; Y191-Y225 AromaticContact CG-CD1 3.46Å; Y191-Y225 HydrophobicContact CG-CD1 3.46Å; Y191-Y225 VanDerWaalsContact CG-CD1 3.46Å; Y191-Y225 AromaticContact CG-CE1 3.78Å; Y191-Y225 HydrophobicContact CG-CE1 3.78Å
192	N	96.5	Very high	97.6	Very high	91 Å²	91	44.6 Å²	44.6	49%	0.487	21%	0.209	S	C	.	.	H	α-helix	trans	-67.9	-30.8	-178.1	-66.8	-30.3	0	0	0	112.3	E188 E189	E188-N192 WeakPolarHBondContact O-CB 3.43Å; E188-N192 PolarHBondContact O-N 2.98Å; E188-N192 PolarHBondContact O-ND2 3.41Å; E189-N192 PolarHBondContact O-N 2.67Å
193	Q	94.3	Very high	97.6	Very high	100 Å²	100	39.6 Å²	39.6	47%	0.467	19%	0.187	S	C	.	.	H	α-helix	trans	-75.8	-39.3	178.8	-176.9	172.8	-8	0	0	112.5	E189 M190 Y191	E189-Q193 WeakPolarHBondContact O-CB 3.49Å; E189-Q193 PolarHBondContact O-N 2.85Å; M190-Q193 PolarHBondContact O-N 3.24Å; Y191-Q193 VanDerWaalsContact C-N 3.3Å; Y191-Q193 PolarHBondContact O-N 2.82Å
194	Y	93.4	Very high	97.6	Very high	50 Å²	50	40.4 Å²	40.4	20%	0.196	19%	0.193	C	C	.	.	H	α-helix	trans	-107.8	-3.2	-172.5	-57.1	-66.1	0	0	0	113.9	P47 E160 T161 M190 Y191 K196	P47-Y194 HydrophobicContact CB-CD2 3.98Å; P47-Y194 HydrophobicContact CG-CD2 3.44Å; P47-Y194 VanDerWaalsContact CG-CD2 3.44Å; P47-Y194 HydrophobicContact CG-CE2 4.41Å; P47-Y194 HydrophobicContact CG-CG 3.79Å; E160-Y194 WeakPolarHBondContact CA-OH 3.49Å; E160-Y194 VanDerWaalsContact CB-OH 3.26Å; E160-Y194 WeakPolarHBondContact CB-OH 3.45Å; E160-Y194 WeakPolarHBondContact O-CE2 3.48Å; E160-Y194 PolarHBondContact O-OH 3.28Å; E160-Y194 VanDerWaalsContact O-OH 3.11Å; T161-Y194 HydrophobicContact CG2-CD1 4.09Å; T161-Y194 HydrophobicContact CG2-CE1 3.59Å; T161-Y194 HydrophobicContact CG2-CE2 4.37Å; M190-Y194 HydrophobicContact CB-CD2 4.27Å; M190-Y194 HydrophobicContact CB-CE2 4.45Å; M190-Y194 WeakPolarHBondContact O-CD2 3.25Å; M190-Y194 PolarHBondContact O-N 3.49Å; Y191-Y194 PolarHBondContact O-N 2.9Å; Y194-K196 WeakPolarHBondContact O-CG 3.15Å; Y194-K196 PolarHBondContact O-N 3.22Å
195	E	95.1	Very high	97.6	Very high	135 Å²	135	38 Å²	38	63%	0.631	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	37.5	-177.6	-66.1	-65.8	159.7	0	0	112.6	Y191	Y191-E195 WeakPolarHBondContact O-CA 3.29Å; Y191-E195 PolarHBondContact O-N 3.24Å
196	K	94.8	Very high	97.6	Very high	44 Å²	44	32 Å²	32	19%	0.191	15%	0.154	C	C	.	.	S	Bend	trans	-142	141.9	-176.2	-74.6	179.5	-172.6	179.9	0	111.7	N44 T45 Y191 Y194	N44-K196 VanDerWaalsContact CA-NZ 3.3Å; N44-K196 PolarHBondContact O-NZ 2.95Å; N44-K196 VanDerWaalsContact OD1-CE 3.28Å; N44-K196 WeakPolarHBondContact OD1-CE 3.04Å; N44-K196 PolarHBondContact OD1-NZ 2.87Å; T45-K196 PolarHBondContact O-NZ 2.9Å; Y191-K196 WeakPolarHBondContact CD2-O 3.42Å; Y194-K196 WeakPolarHBondContact O-CG 3.15Å; Y194-K196 PolarHBondContact O-N 3.22Å
197	P	97.5	Very high	97.6	Very high	38 Å²	38	31.8 Å²	31.8	25%	0.247	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-63.9	146.1	170.6	30.7	-36.3	0	0	0	111	S46 Y225 R227	S46-P197 WeakPolarHBondContact CB-O 3.17Å; S46-P197 PolarHBondContact OG-O 3.36Å; S46-P197 VanDerWaalsContact OG-O 3.08Å; P197-Y225 CarbonylContact C-O 3.6Å; P197-Y225 VanDerWaalsContact CA-O 3.32Å; P197-Y225 WeakPolarHBondContact CA-O 3.28Å; P197-R227 HydrophobicContact CB-CB 3.91Å; P197-R227 HydrophobicContact CG-CB 3.97Å; P197-R227 HydrophobicContact CG-CG 4.43Å
198	V	98.4	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.7	-168.7	-178.6	0	0	0	0	110.4	P47 I49 V187 M190 Y225 R227	P47-V198 HydrophobicContact CB-CG2 4.29Å; I49-V198 HydrophobicContact CD1-CG1 3.82Å; I49-V198 HydrophobicContact CG1-CG1 3.83Å; V187-V198 HydrophobicContact CG1-CB 4.47Å; V187-V198 HydrophobicContact CG1-CG2 4.37Å; M190-V198 HydrophobicContact CB-CG2 3.9Å; M190-V198 HydrophobicContact SD-CG1 4.48Å; V198-Y225 PolarHBondContact N-O 2.71Å; V198-R227 PolarHBondContact O-N 3.37Å
199	Y	98.8	Very high	97.6	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.9	166	-77.9	-75	0	0	0	110.4	P47 L48 I49 R227 G228 W335 I416 L417	P47-Y199 PolarHBondContact O-N 3.18Å; L48-Y199 WeakPolarHBondContact CA-O 3.15Å; I49-Y199 PolarHBondContact N-O 3.38Å; Y199-R227 HydrophobicContact CD1-CB 4.18Å; Y199-R227 HydrophobicContact CD1-CG 4.2Å; Y199-R227 HydrophobicContact CD2-CB 4.15Å; Y199-R227 HydrophobicContact CD2-CG 4.02Å; Y199-R227 HydrophobicContact CE1-CB 4.12Å; Y199-R227 HydrophobicContact CE1-CG 3.64Å; Y199-R227 HydrophobicContact CE2-CB 4.15Å; Y199-R227 HydrophobicContact CE2-CG 3.5Å; Y199-R227 HydrophobicContact CG-CB 4.2Å; Y199-R227 HydrophobicContact CG-CG 4.37Å; Y199-G228 WeakPolarHBondContact CA-O 3.4Å; Y199-W335 HydrophobicContact CD1-CZ3 4.29Å; Y199-W335 HydrophobicContact CE1-CE3 4.39Å; Y199-W335 AromaticContact CE1-CH2 3.77Å; Y199-W335 HydrophobicContact CE1-CH2 3.77Å; Y199-W335 AromaticContact CE1-CZ3 3.55Å; Y199-W335 HydrophobicContact CE1-CZ3 3.55Å; Y199-I416 HydrophobicContact CE1-CG2 4.03Å; Y199-I416 PolarHBondContact OH-O 3.28Å; Y199-I416 VanDerWaalsContact OH-O 3.05Å; Y199-L417 HydrophobicContact CD2-CD2 3.36Å; Y199-L417 HydrophobicContact CE2-CD2 3.86Å; Y199-L417 HydrophobicContact CG-CD2 3.79Å
200	L	98.9	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.6	167.4	-59	-179.9	0	0	0	108.3	I49 V187 V210 F213 L214 I226 G228 F229 I230	I49-L200 HydrophobicContact CB-CD2 3.9Å; I49-L200 HydrophobicContact CD1-CD2 4.13Å; I49-L200 HydrophobicContact CG2-CD2 4.4Å; V187-L200 HydrophobicContact CG2-CD2 4.09Å; L200-V210 HydrophobicContact CB-CG1 3.9Å; L200-V210 HydrophobicContact CB-CG2 4.42Å; L200-V210 HydrophobicContact CD1-CG1 3.79Å; L200-F213 HydrophobicContact CD1-CD1 4.12Å; L200-F213 HydrophobicContact CD1-CE1 4.22Å; L200-L214 HydrophobicContact CD1-CD1 4.45Å; L200-L214 HydrophobicContact CD1-CD2 4.05Å; L200-L214 HydrophobicContact CD1-CG 4.33Å; L200-I226 HydrophobicContact CD1-CD1 4Å; L200-I226 HydrophobicContact CG-CD1 4.21Å; L200-G228 PolarHBondContact N-O 3.14Å; L200-F229 HydrophobicContact CB-CD2 4.49Å; L200-F229 CarbonylContact O-C 3.14Å; L200-F229 WeakPolarHBondContact O-CA 3.45Å; L200-F229 WeakPolarHBondContact O-CD2 3.33Å; L200-I230 PolarHBondContact O-N 3.01Å
201	L	98.9	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.1	171.1	-179	157.3	0	0	0	109.3	L48 I49 I50 V51 F144 I230 L232 I413	L48-L201 HydrophobicContact CD1-CB 3.81Å; I49-L201 PolarHBondContact O-N 2.84Å; I50-L201 CarbonylContact C-O 3.53Å; I50-L201 WeakPolarHBondContact CA-O 3.2Å; I50-L201 HydrophobicContact CG2-CD2 4.14Å; V51-L201 PolarHBondContact N-O 2.87Å; F144-L201 HydrophobicContact CE1-CD2 3.83Å; F144-L201 HydrophobicContact CZ-CD2 4.09Å; L201-I230 CarbonylContact C-O 3.42Å; L201-I230 VanDerWaalsContact CA-O 3.25Å; L201-I230 WeakPolarHBondContact CA-O 3.41Å; L201-I230 HydrophobicContact CB-CB 4.28Å; L201-I230 HydrophobicContact CD1-CB 4.44Å; L201-I230 HydrophobicContact CD1-CG2 4.17Å; L201-I230 HydrophobicContact CG-CB 4.26Å; L201-I230 HydrophobicContact CG-CG2 4.27Å; L201-L232 HydrophobicContact CD1-CD1 4.34Å; L201-L232 HydrophobicContact CD2-CD1 4.17Å; L201-L232 HydrophobicContact CD2-CG 4.47Å; L201-L232 HydrophobicContact CG-CD1 4.49Å; L201-I413 HydrophobicContact CD1-CD1 3.89Å; L201-I413 HydrophobicContact CD1-CG1 4.38Å; L201-I413 HydrophobicContact CD1-CG2 4.35Å
202	G	98.8	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.1	172	0	0	0	0	0	110.7	V51 S207 I230 L232	V51-G202 WeakPolarHBondContact O-CA 3.31Å; G202-S207 VanDerWaalsContact C-OG 3.24Å; G202-S207 PolarHBondContact O-OG 2.94Å; G202-I230 PolarHBondContact N-O 3.5Å; G202-L232 PolarHBondContact O-N 2.9Å
203	H	98.8	Very high	97.8	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.5	167	175.6	-105	0	0	0	110.8	V51 G53 Y143 F144 M205 G206 L232 H400 V404	V51-H203 PolarHBondContact O-N 2.91Å; G53-H203 WeakPolarHBondContact CA-O 3.34Å; G53-H203 PolarHBondContact N-O 2.83Å; Y143-H203 AromaticContact CE2-ND1 3.93Å; Y143-H203 AromaticContact CZ-ND1 3.69Å; Y143-H203 PolarHBondContact OH-ND1 3.09Å; F144-H203 HydrophobicContact CE2-CB 4.34Å; F144-H203 HydrophobicContact CZ-CB 3.67Å; H203-M205 PolarHBondContact O-N 2.9Å; H203-G206 WeakPolarHBondContact O-CA 3.37Å; H203-G206 PolarHBondContact O-N 3.11Å; H203-L232 CarbonylContact C-O 3.53Å; H203-L232 WeakPolarHBondContact CA-O 3.34Å; H203-L232 HydrophobicContact CB-CB 4.41Å; H203-H400 PolarHBondContact NE2-O 2.74Å; H203-V404 HydrophobicContact CB-CG1 4.07Å
204	S	98.3	Very high	98	Very high	17 Å²	17	15.7 Å²	15.7	12%	0.119	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-125.5	177	-171.9	0	0	0	0	110.8	G206 S207 L232 A233 H400	S204-G206 PolarHBondContact O-N 2.87Å; S204-G206 VanDerWaalsContact O-N 3.14Å; S204-S207 VanDerWaalsContact O-CB 3.29Å; S204-S207 WeakPolarHBondContact O-CB 3.32Å; S204-S207 PolarHBondContact O-N 3.18Å; S204-L232 PolarHBondContact N-O 3.34Å; S204-A233 WeakPolarHBondContact CA-O 3.49Å; S204-H400 WeakPolarHBondContact CB-NE2 3.13Å; S204-H400 PolarHBondContact OG-NE2 3.2Å
205	M	98.3	Very high	98.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-54.3	-28.9	175.2	-173.4	170.8	73.7	0	0	114.5	N54 Y167 W169 H203 S207 H208 Y209 T271 W274 L275	N54-M205 HydrophobicContact CB-CB 4.35Å; N54-M205 HydrophobicContact CB-CE 3.63Å; N54-M205 HydrophobicContact CB-SD 4.2Å; Y167-M205 HydrophobicContact CE2-CE 4.05Å; Y167-M205 WeakPolarHBondContact OH-CE 3.33Å; W169-M205 HydrophobicContact CB-CE 3.88Å; H203-M205 PolarHBondContact O-N 2.9Å; M205-S207 PolarHBondContact O-N 3.43Å; M205-H208 WeakPolarHBondContact O-CB 3.28Å; M205-H208 PolarHBondContact O-N 3.25Å; M205-Y209 HydrophobicContact CG-CD2 4.4Å; M205-Y209 HydrophobicContact CG-CE2 4.49Å; M205-Y209 PolarHBondContact O-N 2.93Å; M205-T271 HydrophobicContact CE-CG2 3.86Å; M205-T271 VanDerWaalsContact SD-CB 3.56Å; M205-T271 HydrophobicContact SD-CG2 3.65Å; M205-W274 HydrophobicContact CG-CE3 4.49Å; M205-W274 HydrophobicContact CG-CZ3 3.8Å; M205-W274 HydrophobicContact SD-CE3 4.27Å; M205-W274 HydrophobicContact SD-CZ3 4.03Å; M205-L275 HydrophobicContact CB-CD1 4.18Å; M205-L275 HydrophobicContact CG-CD1 4.09Å; M205-L275 HydrophobicContact CG-CD2 4.34Å; M205-L275 HydrophobicContact SD-CD1 3.73Å; M205-L275 HydrophobicContact SD-CG 4.33Å
206	G	98.7	Very high	98.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-29.9	176.2	0	0	0	0	0	112.9	P52 H203 S204 H208 Y209 V210	P52-G206 WeakPolarHBondContact O-CA 3.29Å; P52-G206 PolarHBondContact O-N 3.41Å; H203-G206 WeakPolarHBondContact O-CA 3.37Å; H203-G206 PolarHBondContact O-N 3.11Å; S204-G206 PolarHBondContact O-N 2.87Å; S204-G206 VanDerWaalsContact O-N 3.14Å; G206-H208 VanDerWaalsContact C-N 3.34Å; G206-H208 PolarHBondContact O-N 2.95Å; G206-Y209 WeakPolarHBondContact O-CB 3.24Å; G206-Y209 PolarHBondContact O-N 3Å; G206-V210 WeakPolarHBondContact O-CG2 3.11Å; G206-V210 PolarHBondContact O-N 3.39Å
207	S	98.8	Very high	98.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.6	-35.7	173.8	-66.9	0	0	0	0	112.6	G202 S204 M205 V210 L211 S231	G202-S207 VanDerWaalsContact C-OG 3.24Å; G202-S207 PolarHBondContact O-OG 2.94Å; S204-S207 VanDerWaalsContact O-CB 3.29Å; S204-S207 WeakPolarHBondContact O-CB 3.32Å; S204-S207 PolarHBondContact O-N 3.18Å; M205-S207 PolarHBondContact O-N 3.43Å; S207-V210 PolarHBondContact O-N 3.49Å; S207-L211 WeakPolarHBondContact O-CB 3.31Å; S207-L211 PolarHBondContact O-N 3Å; S207-S231 WeakPolarHBondContact CB-OG 3.34Å; S207-S231 PolarHBondContact OG-OG 3.41Å
208	H	98.4	Very high	98.6	Very high	5 Å²	5	15.7 Å²	15.7	2%	0.023	8%	0.082	C	C	.	.	H	α-helix	trans	-67.5	-37.6	172.6	-84.6	-75.6	0	0	0	112	M205 G206 L211 Y212 P235 W236 W274 T324	M205-H208 WeakPolarHBondContact O-CB 3.28Å; M205-H208 PolarHBondContact O-N 3.25Å; G206-H208 VanDerWaalsContact C-N 3.34Å; G206-H208 PolarHBondContact O-N 2.95Å; H208-L211 PolarHBondContact O-N 3.11Å; H208-Y212 WeakPolarHBondContact O-CB 3.47Å; H208-Y212 PolarHBondContact O-N 3.42Å; H208-P235 VanDerWaalsContact NE2-C 3.31Å; H208-P235 PolarHBondContact NE2-O 2.88Å; H208-W236 AromaticContact CE1-CE3 3.87Å; H208-W236 PolarHBondContact CE1-O 3.27Å; H208-W274 HydrophobicContact CB-CH2 3.5Å; H208-W274 HydrophobicContact CB-CZ2 3.72Å; H208-W274 HydrophobicContact CB-CZ3 4.45Å; H208-T324 HydrophobicContact CB-CG2 4.43Å; H208-T324 PolarHBondContact CE1-OG1 2.91Å; H208-T324 VanDerWaalsContact ND1-CB 3.35Å; H208-T324 WeakPolarHBondContact ND1-CB 3.45Å; H208-T324 PolarHBondContact ND1-OG1 3.2Å
209	Y	98.8	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.7	-44.9	172.6	-95.6	-101.3	0	0	0	112.2	Y167 L171 P173 N176 Y179 F180 M205 G206 Y212 F213 W274	Y167-Y209 HydrophobicContact CD2-CD1 4.26Å; Y167-Y209 AromaticContact CD2-CE1 3.69Å; Y167-Y209 HydrophobicContact CD2-CE1 3.69Å; Y167-Y209 HydrophobicContact CD2-CE2 4.02Å; Y167-Y209 AromaticContact CD2-CZ 3.55Å; Y167-Y209 HydrophobicContact CE1-CG 4.44Å; Y167-Y209 HydrophobicContact CE2-CD1 4.25Å; Y167-Y209 AromaticContact CE2-CD2 3.77Å; Y167-Y209 HydrophobicContact CE2-CD2 3.77Å; Y167-Y209 AromaticContact CE2-CE1 3.87Å; Y167-Y209 HydrophobicContact CE2-CE1 3.87Å; Y167-Y209 AromaticContact CE2-CE2 3.34Å; Y167-Y209 HydrophobicContact CE2-CE2 3.34Å; Y167-Y209 HydrophobicContact CE2-CG 4.19Å; Y167-Y209 AromaticContact CE2-CZ 3.4Å; Y167-Y209 HydrophobicContact CG-CD1 4.46Å; Y167-Y209 HydrophobicContact CG-CE1 4.19Å; Y167-Y209 AromaticContact CZ-CD2 3.78Å; Y167-Y209 AromaticContact CZ-CE2 3.86Å; L171-Y209 PolarHBondContact O-OH 3.42Å; P173-Y209 HydrophobicContact CG-CD2 4.34Å; P173-Y209 HydrophobicContact CG-CE1 4.36Å; P173-Y209 HydrophobicContact CG-CE2 4.05Å; N176-Y209 HydrophobicContact CB-CE1 4.13Å; N176-Y209 PolarHBondContact ND2-OH 2.71Å; Y179-Y209 HydrophobicContact CD1-CD1 4.1Å; Y179-Y209 HydrophobicContact CD1-CE1 4.24Å; Y179-Y209 AromaticContact CE1-CD1 3.74Å; Y179-Y209 HydrophobicContact CE1-CD1 3.74Å; Y179-Y209 HydrophobicContact CE1-CE1 4.3Å; F180-Y209 AromaticContact CE1-CD1 3.75Å; F180-Y209 HydrophobicContact CE1-CD1 3.75Å; F180-Y209 HydrophobicContact CE1-CE1 4.39Å; F180-Y209 HydrophobicContact CE2-CE1 4.42Å; F180-Y209 AromaticContact CZ-CD1 3.48Å; F180-Y209 HydrophobicContact CZ-CD1 3.48Å; F180-Y209 VanDerWaalsContact CZ-CD1 3.48Å; F180-Y209 AromaticContact CZ-CE1 3.74Å; F180-Y209 HydrophobicContact CZ-CE1 3.74Å; F180-Y209 HydrophobicContact CZ-CG 4.42Å; M205-Y209 HydrophobicContact CG-CD2 4.4Å; M205-Y209 HydrophobicContact CG-CE2 4.49Å; M205-Y209 PolarHBondContact O-N 2.93Å; G206-Y209 WeakPolarHBondContact O-CB 3.24Å; G206-Y209 PolarHBondContact O-N 3Å; Y209-Y212 PolarHBondContact O-N 2.69Å; Y209-F213 VanDerWaalsContact O-CB 3.32Å; Y209-F213 WeakPolarHBondContact O-CB 3.26Å; Y209-F213 PolarHBondContact O-N 3.23Å; Y209-W274 AromaticContact CD2-CH2 3.87Å; Y209-W274 HydrophobicContact CD2-CH2 3.87Å; Y209-W274 AromaticContact CD2-CZ3 3.91Å; Y209-W274 HydrophobicContact CD2-CZ3 3.91Å; Y209-W274 AromaticContact CE2-CH2 3.92Å; Y209-W274 HydrophobicContact CE2-CH2 3.92Å; Y209-W274 AromaticContact CE2-CZ3 3.56Å; Y209-W274 HydrophobicContact CE2-CZ3 3.56Å
210	V	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-43.5	175.8	175.2	0	0	0	0	111	V51 L200 G206 S207 F213 L214 F229	V51-V210 HydrophobicContact CB-CG2 3.84Å; V51-V210 HydrophobicContact CG1-CG2 4.29Å; V51-V210 HydrophobicContact CG2-CG2 3.59Å; L200-V210 HydrophobicContact CB-CG1 3.9Å; L200-V210 HydrophobicContact CB-CG2 4.42Å; L200-V210 HydrophobicContact CD1-CG1 3.79Å; G206-V210 WeakPolarHBondContact O-CG2 3.11Å; G206-V210 PolarHBondContact O-N 3.39Å; S207-V210 PolarHBondContact O-N 3.49Å; V210-F213 WeakPolarHBondContact O-CB 3.43Å; V210-F213 PolarHBondContact O-N 2.88Å; V210-L214 HydrophobicContact CG1-CD1 3.71Å; V210-L214 HydrophobicContact CG1-CG 4.21Å; V210-L214 WeakPolarHBondContact O-CB 3.24Å; V210-L214 VanDerWaalsContact O-CG 3.29Å; V210-L214 WeakPolarHBondContact O-CG 2.86Å; V210-L214 PolarHBondContact O-N 2.77Å; V210-F229 HydrophobicContact CB-CD2 4.22Å; V210-F229 HydrophobicContact CB-CE2 3.69Å; V210-F229 HydrophobicContact CB-CZ 3.91Å; V210-F229 HydrophobicContact CG1-CD1 4.26Å; V210-F229 HydrophobicContact CG1-CD2 3.43Å; V210-F229 VanDerWaalsContact CG1-CD2 3.43Å; V210-F229 HydrophobicContact CG1-CE1 4.23Å; V210-F229 HydrophobicContact CG1-CE2 3.43Å; V210-F229 VanDerWaalsContact CG1-CE2 3.43Å; V210-F229 HydrophobicContact CG1-CG 3.88Å; V210-F229 HydrophobicContact CG1-CZ 3.83Å; V210-F229 HydrophobicContact CG2-CE2 4.2Å
211	L	98.8	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-48.5	176.6	-179.9	62.9	0	0	0	111.6	S207 H208 F213 L214 N215 W236 T324 L327 H328 P330 W382	S207-L211 WeakPolarHBondContact O-CB 3.31Å; S207-L211 PolarHBondContact O-N 3Å; H208-L211 PolarHBondContact O-N 3.11Å; L211-F213 VanDerWaalsContact C-N 3.33Å; L211-F213 PolarHBondContact O-N 2.83Å; L211-L214 PolarHBondContact O-N 2.95Å; L211-N215 WeakPolarHBondContact O-CB 3.43Å; L211-N215 VanDerWaalsContact O-CG 3.3Å; L211-N215 PolarHBondContact O-N 2.85Å; L211-N215 PolarHBondContact O-ND2 2.92Å; L211-W236 HydrophobicContact CB-CH2 4.34Å; L211-W236 HydrophobicContact CB-CZ3 3.89Å; L211-W236 HydrophobicContact CD2-CE3 3.89Å; L211-W236 HydrophobicContact CD2-CH2 4.46Å; L211-W236 HydrophobicContact CD2-CZ3 3.58Å; L211-W236 HydrophobicContact CG-CZ3 4.31Å; L211-T324 HydrophobicContact CD2-CG2 4.37Å; L211-L327 HydrophobicContact CD2-CD2 3.92Å; L211-H328 WeakPolarHBondContact CD1-O 3.38Å; L211-P330 HydrophobicContact CD1-CB 4.06Å; L211-P330 HydrophobicContact CD1-CG 4.44Å; L211-W382 HydrophobicContact CD1-CH2 4.04Å; L211-W382 HydrophobicContact CD1-CZ2 3.88Å; L211-W382 HydrophobicContact CD2-CH2 4.2Å; L211-W382 HydrophobicContact CD2-CZ2 3.9Å
212	Y	98.8	Very high	98.6	Very high	34 Å²	34	27 Å²	27	13%	0.133	14%	0.14	C	C	.	.	H	α-helix	trans	-56.8	-48.3	176.1	-178.1	-88.7	0	0	0	110.7	P173 F180 H208 Y209 N215 H216 L323 T324	P173-Y212 HydrophobicContact CB-CD1 3.62Å; P173-Y212 HydrophobicContact CB-CD2 3.8Å; P173-Y212 HydrophobicContact CB-CE1 3.75Å; P173-Y212 HydrophobicContact CB-CE2 3.92Å; P173-Y212 HydrophobicContact CB-CG 3.63Å; P173-Y212 HydrophobicContact CG-CD2 4.36Å; P173-Y212 HydrophobicContact CG-CG 4.16Å; F180-Y212 HydrophobicContact CD2-CD1 4.3Å; F180-Y212 HydrophobicContact CD2-CE1 4.1Å; F180-Y212 AromaticContact CE1-CD1 3.97Å; F180-Y212 HydrophobicContact CE1-CD1 3.97Å; F180-Y212 AromaticContact CE2-CD1 3.65Å; F180-Y212 HydrophobicContact CE2-CD1 3.65Å; F180-Y212 AromaticContact CE2-CE1 3.65Å; F180-Y212 HydrophobicContact CE2-CE1 3.65Å; F180-Y212 AromaticContact CZ-CD1 3.46Å; F180-Y212 HydrophobicContact CZ-CD1 3.46Å; F180-Y212 VanDerWaalsContact CZ-CD1 3.46Å; F180-Y212 AromaticContact CZ-CE1 3.98Å; F180-Y212 HydrophobicContact CZ-CE1 3.98Å; F180-Y212 HydrophobicContact CZ-CG 4.37Å; H208-Y212 WeakPolarHBondContact O-CB 3.47Å; H208-Y212 PolarHBondContact O-N 3.42Å; Y209-Y212 PolarHBondContact O-N 2.69Å; Y212-N215 PolarHBondContact O-N 2.86Å; Y212-H216 AromaticContact CD1-ND1 3.94Å; Y212-H216 AromaticContact CD2-CE1 3.72Å; Y212-H216 AromaticContact CE1-CE1 3.9Å; Y212-H216 AromaticContact CE1-ND1 3.84Å; Y212-H216 AromaticContact CE2-CE1 3.32Å; Y212-H216 WeakPolarHBondContact CE2-CE1 3.21Å; Y212-H216 AromaticContact CE2-ND1 3.97Å; Y212-H216 AromaticContact CZ-CE1 3.43Å; Y212-H216 VanDerWaalsContact CZ-CE1 3.43Å; Y212-H216 AromaticContact CZ-ND1 3.86Å; Y212-H216 AromaticContact CZ-NE2 3.88Å; Y212-H216 PolarHBondContact O-N 3.31Å; Y212-H216 PolarHBondContact O-ND1 2.88Å; Y212-L323 HydrophobicContact CD2-CB 4.07Å; Y212-L323 HydrophobicContact CE2-CB 4.13Å; Y212-L323 HydrophobicContact CE2-CD2 3.77Å; Y212-L323 HydrophobicContact CE2-CG 4.46Å; Y212-T324 HydrophobicContact CD2-CG2 4.48Å
213	F	98.9	Very high	98.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-56.2	-54.1	176.6	174.8	-111.7	0	0	0	111.7	F180 L183 Q184 L200 Y209 V210 L211 N215 H216 Q217 W221	F180-F213 HydrophobicContact CB-CD2 4.2Å; F180-F213 HydrophobicContact CD1-CB 3.8Å; F180-F213 AromaticContact CD1-CD2 3.81Å; F180-F213 HydrophobicContact CD1-CD2 3.81Å; F180-F213 HydrophobicContact CD1-CG 4.22Å; F180-F213 HydrophobicContact CE1-CB 3.95Å; F180-F213 HydrophobicContact CG-CD2 4.42Å; L183-F213 HydrophobicContact CB-CE2 4.41Å; L183-F213 HydrophobicContact CD2-CB 4.28Å; L183-F213 HydrophobicContact CD2-CD1 3.87Å; L183-F213 HydrophobicContact CD2-CD2 4.02Å; L183-F213 HydrophobicContact CD2-CE1 4.16Å; L183-F213 HydrophobicContact CD2-CE2 4.29Å; L183-F213 HydrophobicContact CD2-CG 3.79Å; L183-F213 HydrophobicContact CD2-CZ 4.36Å; L183-F213 HydrophobicContact CG-CD1 4.44Å; L183-F213 HydrophobicContact CG-CD2 4.49Å; L183-F213 HydrophobicContact CG-CE1 4.23Å; L183-F213 HydrophobicContact CG-CE2 4.26Å; L183-F213 HydrophobicContact CG-CZ 4.14Å; Q184-F213 HydrophobicContact CB-CE2 4.01Å; Q184-F213 HydrophobicContact CB-CZ 4.09Å; L200-F213 HydrophobicContact CD1-CD1 4.12Å; L200-F213 HydrophobicContact CD1-CE1 4.22Å; Y209-F213 VanDerWaalsContact O-CB 3.32Å; Y209-F213 WeakPolarHBondContact O-CB 3.26Å; Y209-F213 PolarHBondContact O-N 3.23Å; V210-F213 WeakPolarHBondContact O-CB 3.43Å; V210-F213 PolarHBondContact O-N 2.88Å; L211-F213 VanDerWaalsContact C-N 3.33Å; L211-F213 PolarHBondContact O-N 2.83Å; F213-N215 VanDerWaalsContact C-N 3.3Å; F213-N215 PolarHBondContact O-N 2.8Å; F213-H216 PolarHBondContact O-N 2.75Å; F213-Q217 HydrophobicContact CD1-CG 4.46Å; F213-Q217 HydrophobicContact CD2-CG 4.28Å; F213-Q217 HydrophobicContact CE1-CG 4.13Å; F213-Q217 HydrophobicContact CE2-CG 3.96Å; F213-Q217 HydrophobicContact CZ-CG 3.86Å; F213-Q217 WeakPolarHBondContact O-CG 3.27Å; F213-Q217 PolarHBondContact O-N 3.47Å; F213-W221 AromaticContact CE1-CH2 3.75Å; F213-W221 HydrophobicContact CE1-CH2 3.75Å; F213-W221 AromaticContact CE1-CZ3 3.94Å; F213-W221 HydrophobicContact CE1-CZ3 3.94Å; F213-W221 AromaticContact CZ-CH2 3.58Å; F213-W221 HydrophobicContact CZ-CH2 3.58Å; F213-W221 HydrophobicContact CZ-CZ2 4.32Å; F213-W221 HydrophobicContact CZ-CZ3 4.04Å
214	L	98.8	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-32.1	-177.6	-68.1	172.8	0	0	0	113	L200 V210 L211 H216 Q217 K222 I226 F229 P330 V332	L200-L214 HydrophobicContact CD1-CD1 4.45Å; L200-L214 HydrophobicContact CD1-CD2 4.05Å; L200-L214 HydrophobicContact CD1-CG 4.33Å; V210-L214 HydrophobicContact CG1-CD1 3.71Å; V210-L214 HydrophobicContact CG1-CG 4.21Å; V210-L214 WeakPolarHBondContact O-CB 3.24Å; V210-L214 VanDerWaalsContact O-CG 3.29Å; V210-L214 WeakPolarHBondContact O-CG 2.86Å; V210-L214 PolarHBondContact O-N 2.77Å; L211-L214 PolarHBondContact O-N 2.95Å; L214-H216 PolarHBondContact O-N 3.37Å; L214-Q217 PolarHBondContact O-N 3.26Å; L214-K222 HydrophobicContact CB-CD 4.26Å; L214-K222 HydrophobicContact CD2-CD 4.05Å; L214-K222 HydrophobicContact CD2-CG 4.29Å; L214-K222 VanDerWaalsContact O-CD 3.31Å; L214-K222 WeakPolarHBondContact O-CD 3.22Å; L214-K222 WeakPolarHBondContact O-CE 3.31Å; L214-K222 PolarHBondContact O-NZ 2.72Å; L214-I226 HydrophobicContact CD2-CG1 4.04Å; L214-I226 HydrophobicContact CD2-CG2 4.41Å; L214-F229 HydrophobicContact CD1-CB 4.19Å; L214-F229 HydrophobicContact CD1-CD1 4.32Å; L214-F229 HydrophobicContact CD1-CG 4.3Å; L214-P330 HydrophobicContact CB-CB 4.06Å; L214-P330 HydrophobicContact CD1-CB 3.83Å; L214-V332 HydrophobicContact CD1-CG2 3.86Å; L214-V332 HydrophobicContact CD2-CG1 4.5Å
215	N	98.4	Very high	98.6	Very high	46 Å²	46	35.4 Å²	35.4	25%	0.246	18%	0.178	C	C	.	.	H	α-helix	trans	-70.3	-21.2	175.6	-75.1	-17.4	0	0	0	113	L211 Y212 F213 H328	L211-N215 WeakPolarHBondContact O-CB 3.43Å; L211-N215 VanDerWaalsContact O-CG 3.3Å; L211-N215 PolarHBondContact O-N 2.85Å; L211-N215 PolarHBondContact O-ND2 2.92Å; Y212-N215 PolarHBondContact O-N 2.86Å; F213-N215 VanDerWaalsContact C-N 3.3Å; F213-N215 PolarHBondContact O-N 2.8Å; N215-H328 PolarHBondContact ND2-O 2.69Å; N215-H328 PolarHBondContact OD1-O 3.13Å
216	H	98.1	Very high	98.6	Very high	119 Å²	119	36 Å²	36	55%	0.551	18%	0.181	S	C	*	.	H	α-helix	trans	-97.8	-2.3	176.2	-69.1	80.5	0	0	0	113.6	Y212 F213 L214	Y212-H216 AromaticContact CD1-ND1 3.94Å; Y212-H216 AromaticContact CD2-CE1 3.72Å; Y212-H216 AromaticContact CE1-CE1 3.9Å; Y212-H216 AromaticContact CE1-ND1 3.84Å; Y212-H216 AromaticContact CE2-CE1 3.32Å; Y212-H216 WeakPolarHBondContact CE2-CE1 3.21Å; Y212-H216 AromaticContact CE2-ND1 3.97Å; Y212-H216 AromaticContact CZ-CE1 3.43Å; Y212-H216 VanDerWaalsContact CZ-CE1 3.43Å; Y212-H216 AromaticContact CZ-ND1 3.86Å; Y212-H216 AromaticContact CZ-NE2 3.88Å; Y212-H216 PolarHBondContact O-N 3.31Å; Y212-H216 PolarHBondContact O-ND1 2.88Å; F213-H216 PolarHBondContact O-N 2.75Å; L214-H216 PolarHBondContact O-N 3.37Å
217	Q	98.4	Very high	98.5	Very high	22 Å²	22	40.4 Å²	40.4	10%	0.103	20%	0.197	C	C	.	.	S	Bend	trans	-94	137.7	176.6	-68.9	-59.4	-25.3	0	0	112.2	F213 L214 W221 K222	F213-Q217 HydrophobicContact CD1-CG 4.46Å; F213-Q217 HydrophobicContact CD2-CG 4.28Å; F213-Q217 HydrophobicContact CE1-CG 4.13Å; F213-Q217 HydrophobicContact CE2-CG 3.96Å; F213-Q217 HydrophobicContact CZ-CG 3.86Å; F213-Q217 WeakPolarHBondContact O-CG 3.27Å; F213-Q217 PolarHBondContact O-N 3.47Å; L214-Q217 PolarHBondContact O-N 3.26Å; Q217-W221 HydrophobicContact CB-CD2 4.42Å; Q217-W221 HydrophobicContact CB-CE3 3.7Å; Q217-W221 HydrophobicContact CB-CZ3 4.12Å; Q217-W221 HydrophobicContact CG-CD2 4.41Å; Q217-W221 HydrophobicContact CG-CE3 3.76Å; Q217-W221 HydrophobicContact CG-CH2 4.45Å; Q217-W221 HydrophobicContact CG-CZ3 3.77Å; Q217-K222 HydrophobicContact CB-CD 4.21Å; Q217-K222 HydrophobicContact CB-CG 3.86Å; Q217-K222 WeakPolarHBondContact O-CE 3.39Å
218	P	98.3	Very high	98.5	Very high	79 Å²	79	40.4 Å²	40.4	51%	0.513	20%	0.197	S	C	.	.			trans	-58.8	142.4	175.5	-22.8	33	0	0	0	112.1	W221 K222	P218-W221 HydrophobicContact CB-CB 4.33Å; P218-W221 WeakPolarHBondContact O-CB 3.38Å; P218-W221 PolarHBondContact O-N 2.84Å; P218-K222 PolarHBondContact O-N 2.66Å
219	K	97.8	Very high	98.5	Very high	94 Å²	94	40.1 Å²	40.1	41%	0.409	20%	0.196	S	C	.	.	H	α-helix	trans	-51	-46	176	174.9	172.9	171.5	60.2	0	113.2	W221 K222 D223 E387	K219-W221 VanDerWaalsContact C-N 3.26Å; K219-W221 PolarHBondContact O-N 2.9Å; K219-K222 PolarHBondContact O-N 3.5Å; K219-K222 VanDerWaalsContact O-N 3.17Å; K219-D223 WeakPolarHBondContact CE-OD2 3.26Å; K219-D223 WeakPolarHBondContact CG-OD2 3.34Å; K219-D223 IonicContact NZ-OD1 2.66Å; K219-D223 IonicContact NZ-OD2 3.77Å; K219-D223 PolarHBondContact NZ-OD2 3.11Å; K219-D223 VanDerWaalsContact NZ-OD2 3.08Å; K219-D223 WeakPolarHBondContact O-CB 3.42Å; K219-D223 PolarHBondContact O-N 3.3Å; K219-E387 IonicContact NZ-OE2 3.56Å; K219-E387 PolarHBondContact NZ-OE2 3.43Å
220	P	98.5	Very high	98.5	Very high	100 Å²	100	40.1 Å²	40.1	65%	0.649	20%	0.196	S	C	*	.	H	α-helix	trans	-61.2	-32.3	177.4	-24.7	35.2	0	0	0	114.1	K224	P220-K224 WeakPolarHBondContact O-CB 3.42Å; P220-K224 PolarHBondContact O-N 3.14Å
221	W	98.8	Very high	98.5	Very high	25 Å²	25	40.1 Å²	40.1	10%	0.095	20%	0.196	C	C	.	.	H	α-helix	trans	-68.8	-47.5	175.6	-175.5	98.2	0	0	0	110.1	Q184 V187 E188 F213 Q217 P218 K219 D223 K224 Y225 I226	Q184-W221 HydrophobicContact CB-CZ2 4.46Å; Q184-W221 HydrophobicContact CG-CZ2 3.65Å; V187-W221 HydrophobicContact CB-CH2 3.98Å; V187-W221 HydrophobicContact CB-CZ2 4.01Å; V187-W221 HydrophobicContact CG1-CH2 3.58Å; V187-W221 HydrophobicContact CG1-CZ2 3.67Å; V187-W221 HydrophobicContact CG2-CH2 4.23Å; E188-W221 HydrophobicContact CG-CZ2 4.39Å; E188-W221 PolarHBondContact OE1-NE1 3.43Å; F213-W221 AromaticContact CE1-CH2 3.75Å; F213-W221 HydrophobicContact CE1-CH2 3.75Å; F213-W221 AromaticContact CE1-CZ3 3.94Å; F213-W221 HydrophobicContact CE1-CZ3 3.94Å; F213-W221 AromaticContact CZ-CH2 3.58Å; F213-W221 HydrophobicContact CZ-CH2 3.58Å; F213-W221 HydrophobicContact CZ-CZ2 4.32Å; F213-W221 HydrophobicContact CZ-CZ3 4.04Å; Q217-W221 HydrophobicContact CB-CD2 4.42Å; Q217-W221 HydrophobicContact CB-CE3 3.7Å; Q217-W221 HydrophobicContact CB-CZ3 4.12Å; Q217-W221 HydrophobicContact CG-CD2 4.41Å; Q217-W221 HydrophobicContact CG-CE3 3.76Å; Q217-W221 HydrophobicContact CG-CH2 4.45Å; Q217-W221 HydrophobicContact CG-CZ3 3.77Å; P218-W221 HydrophobicContact CB-CB 4.33Å; P218-W221 WeakPolarHBondContact O-CB 3.38Å; P218-W221 PolarHBondContact O-N 2.84Å; K219-W221 VanDerWaalsContact C-N 3.26Å; K219-W221 PolarHBondContact O-N 2.9Å; W221-D223 PolarHBondContact O-N 3.39Å; W221-K224 PolarHBondContact O-N 3.08Å; W221-Y225 HydrophobicContact CB-CD2 4.46Å; W221-Y225 AromaticContact CD1-CD2 3.4Å; W221-Y225 AromaticContact CD1-CE2 3.42Å; W221-Y225 VanDerWaalsContact CD1-CE2 3.42Å; W221-Y225 AromaticContact CD2-CD2 3.73Å; W221-Y225 HydrophobicContact CD2-CD2 3.73Å; W221-Y225 AromaticContact CE2-CD2 3.5Å; W221-Y225 AromaticContact CG-CD2 3.64Å; W221-Y225 HydrophobicContact CG-CD2 3.64Å; W221-Y225 HydrophobicContact CG-CE2 4.06Å; W221-Y225 HydrophobicContact CZ2-CD2 4.19Å; W221-Y225 HydrophobicContact CZ2-CG 4.39Å; W221-Y225 AromaticContact NE1-CD2 3.29Å; W221-Y225 VanDerWaalsContact NE1-CD2 3.29Å; W221-Y225 AromaticContact NE1-CE2 3.45Å; W221-Y225 VanDerWaalsContact O-CD2 3.28Å; W221-Y225 WeakPolarHBondContact O-CD2 3.32Å; W221-Y225 PolarHBondContact O-N 3.38Å; W221-I226 HydrophobicContact CE3-CG1 4.32Å; W221-I226 HydrophobicContact CH2-CD1 3.85Å; W221-I226 HydrophobicContact CH2-CG1 4.21Å; W221-I226 HydrophobicContact CZ3-CD1 3.75Å; W221-I226 HydrophobicContact CZ3-CG1 3.6Å
222	K	98.8	Very high	98.5	Very high	21 Å²	21	40.1 Å²	40.1	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-46	177.7	-68	-171.4	-72.1	-166.2	0	112.4	L214 Q217 P218 K219 K224 Y225 I226 P330 V332	L214-K222 HydrophobicContact CB-CD 4.26Å; L214-K222 HydrophobicContact CD2-CD 4.05Å; L214-K222 HydrophobicContact CD2-CG 4.29Å; L214-K222 VanDerWaalsContact O-CD 3.31Å; L214-K222 WeakPolarHBondContact O-CD 3.22Å; L214-K222 WeakPolarHBondContact O-CE 3.31Å; L214-K222 PolarHBondContact O-NZ 2.72Å; Q217-K222 HydrophobicContact CB-CD 4.21Å; Q217-K222 HydrophobicContact CB-CG 3.86Å; Q217-K222 WeakPolarHBondContact O-CE 3.39Å; P218-K222 PolarHBondContact O-N 2.66Å; K219-K222 PolarHBondContact O-N 3.5Å; K219-K222 VanDerWaalsContact O-N 3.17Å; K222-K224 PolarHBondContact O-N 2.85Å; K222-Y225 PolarHBondContact O-N 3.07Å; K222-I226 WeakPolarHBondContact O-CB 3.28Å; K222-I226 PolarHBondContact O-N 2.69Å; K222-P330 WeakPolarHBondContact CD-O 3.41Å; K222-P330 WeakPolarHBondContact CE-O 3.05Å; K222-P330 PolarHBondContact NZ-O 2.97Å; K222-V332 HydrophobicContact CB-CG1 3.91Å; K222-V332 HydrophobicContact CD-CG1 4.17Å; K222-V332 HydrophobicContact CG-CG1 4.4Å
223	D	98.4	Very high	98.5	Very high	70 Å²	70	38.5 Å²	38.5	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-63.2	-28.4	179.8	-73.7	-28.1	0	0	0	112.3	K219 W221	K219-D223 WeakPolarHBondContact CE-OD2 3.26Å; K219-D223 WeakPolarHBondContact CG-OD2 3.34Å; K219-D223 IonicContact NZ-OD1 2.66Å; K219-D223 IonicContact NZ-OD2 3.77Å; K219-D223 PolarHBondContact NZ-OD2 3.11Å; K219-D223 VanDerWaalsContact NZ-OD2 3.08Å; K219-D223 WeakPolarHBondContact O-CB 3.42Å; K219-D223 PolarHBondContact O-N 3.3Å; W221-D223 PolarHBondContact O-N 3.39Å
224	K	98.4	Very high	98.5	Very high	99 Å²	99	38.5 Å²	38.5	43%	0.43	19%	0.19	S	C	.	.	H	α-helix	trans	-83.1	-50.4	176.4	-178.3	179.3	175.8	-165.4	0	112.6	Y191 P220 W221 K222	Y191-K224 HydrophobicContact CE2-CG 4.5Å; Y191-K224 VanDerWaalsContact CE2-O 3.29Å; Y191-K224 WeakPolarHBondContact CE2-O 3.18Å; P220-K224 WeakPolarHBondContact O-CB 3.42Å; P220-K224 PolarHBondContact O-N 3.14Å; W221-K224 PolarHBondContact O-N 3.08Å; K222-K224 PolarHBondContact O-N 2.85Å
225	Y	98.8	Very high	98.4	Very high	28 Å²	28	38.6 Å²	38.6	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-99.8	-22.3	-163.6	-66.6	-68.2	0	0	0	114.5	V187 E188 Y191 P197 V198 W221 K222	V187-Y225 HydrophobicContact CG1-CG 4.45Å; E188-Y225 HydrophobicContact CG-CD1 4.4Å; E188-Y225 HydrophobicContact CG-CE1 4.11Å; E188-Y225 HydrophobicContact CG-CE2 4.23Å; Y191-Y225 AromaticContact CD1-CD1 3.9Å; Y191-Y225 HydrophobicContact CD1-CD1 3.9Å; Y191-Y225 AromaticContact CD1-CE1 3.71Å; Y191-Y225 HydrophobicContact CD1-CE1 3.71Å; Y191-Y225 AromaticContact CD2-CD1 3.72Å; Y191-Y225 HydrophobicContact CD2-CD1 3.72Å; Y191-Y225 HydrophobicContact CD2-CE1 4.35Å; Y191-Y225 HydrophobicContact CE1-CE1 4.3Å; Y191-Y225 HydrophobicContact CE2-CD1 4.37Å; Y191-Y225 AromaticContact CG-CD1 3.46Å; Y191-Y225 HydrophobicContact CG-CD1 3.46Å; Y191-Y225 VanDerWaalsContact CG-CD1 3.46Å; Y191-Y225 AromaticContact CG-CE1 3.78Å; Y191-Y225 HydrophobicContact CG-CE1 3.78Å; P197-Y225 CarbonylContact C-O 3.6Å; P197-Y225 VanDerWaalsContact CA-O 3.32Å; P197-Y225 WeakPolarHBondContact CA-O 3.28Å; V198-Y225 PolarHBondContact N-O 2.71Å; W221-Y225 HydrophobicContact CB-CD2 4.46Å; W221-Y225 AromaticContact CD1-CD2 3.4Å; W221-Y225 AromaticContact CD1-CE2 3.42Å; W221-Y225 VanDerWaalsContact CD1-CE2 3.42Å; W221-Y225 AromaticContact CD2-CD2 3.73Å; W221-Y225 HydrophobicContact CD2-CD2 3.73Å; W221-Y225 AromaticContact CE2-CD2 3.5Å; W221-Y225 AromaticContact CG-CD2 3.64Å; W221-Y225 HydrophobicContact CG-CD2 3.64Å; W221-Y225 HydrophobicContact CG-CE2 4.06Å; W221-Y225 HydrophobicContact CZ2-CD2 4.19Å; W221-Y225 HydrophobicContact CZ2-CG 4.39Å; W221-Y225 AromaticContact NE1-CD2 3.29Å; W221-Y225 VanDerWaalsContact NE1-CD2 3.29Å; W221-Y225 AromaticContact NE1-CE2 3.45Å; W221-Y225 VanDerWaalsContact O-CD2 3.28Å; W221-Y225 WeakPolarHBondContact O-CD2 3.32Å; W221-Y225 PolarHBondContact O-N 3.38Å; K222-Y225 PolarHBondContact O-N 3.07Å
226	I	98.8	Very high	98.4	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.062	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.1	-172.5	-54.8	-59.7	0	0	0	110.4	V187 L200 L214 W221 K222 V332	V187-I226 HydrophobicContact CG1-CD1 3.85Å; V187-I226 HydrophobicContact CG2-CD1 4.27Å; L200-I226 HydrophobicContact CD1-CD1 4Å; L200-I226 HydrophobicContact CG-CD1 4.21Å; L214-I226 HydrophobicContact CD2-CG1 4.04Å; L214-I226 HydrophobicContact CD2-CG2 4.41Å; W221-I226 HydrophobicContact CE3-CG1 4.32Å; W221-I226 HydrophobicContact CH2-CD1 3.85Å; W221-I226 HydrophobicContact CH2-CG1 4.21Å; W221-I226 HydrophobicContact CZ3-CD1 3.75Å; W221-I226 HydrophobicContact CZ3-CG1 3.6Å; K222-I226 WeakPolarHBondContact O-CB 3.28Å; K222-I226 PolarHBondContact O-N 2.69Å; I226-V332 HydrophobicContact CB-CG1 4Å; I226-V332 HydrophobicContact CG2-CB 4.1Å; I226-V332 HydrophobicContact CG2-CG1 3.77Å; I226-V332 HydrophobicContact CG2-CG2 4.25Å
227	R	97.9	Very high	98.3	Very high	92 Å²	92	31 Å²	31	35%	0.347	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-39.9	176.3	-177.5	61.5	-176.2	106.2	-0.7	110.5	P197 V198 Y199 E333	P197-R227 HydrophobicContact CB-CB 3.91Å; P197-R227 HydrophobicContact CG-CB 3.97Å; P197-R227 HydrophobicContact CG-CG 4.43Å; V198-R227 PolarHBondContact O-N 3.37Å; Y199-R227 HydrophobicContact CD1-CB 4.18Å; Y199-R227 HydrophobicContact CD1-CG 4.2Å; Y199-R227 HydrophobicContact CD2-CB 4.15Å; Y199-R227 HydrophobicContact CD2-CG 4.02Å; Y199-R227 HydrophobicContact CE1-CB 4.12Å; Y199-R227 HydrophobicContact CE1-CG 3.64Å; Y199-R227 HydrophobicContact CE2-CB 4.15Å; Y199-R227 HydrophobicContact CE2-CG 3.5Å; Y199-R227 HydrophobicContact CG-CB 4.2Å; Y199-R227 HydrophobicContact CG-CG 4.37Å; R227-E333 IonicContact NH1-OE2 3.62Å; R227-E333 PolarHBondContact NH1-OE2 2.99Å
228	G	98.1	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-178	172.7	0	0	0	0	0	112.8	Y199 L200 E333	Y199-G228 WeakPolarHBondContact CA-O 3.4Å; L200-G228 PolarHBondContact N-O 3.14Å; G228-E333 CarbonylContact C-O 3.58Å; G228-E333 WeakPolarHBondContact CA-O 3.48Å
229	F	98.8	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.7	-172.8	171.6	-147.3	0	0	0	110.6	L200 V210 L214 W236 P330 V332 E333 V334 W335	L200-F229 HydrophobicContact CB-CD2 4.49Å; L200-F229 CarbonylContact O-C 3.14Å; L200-F229 WeakPolarHBondContact O-CA 3.45Å; L200-F229 WeakPolarHBondContact O-CD2 3.33Å; V210-F229 HydrophobicContact CB-CD2 4.22Å; V210-F229 HydrophobicContact CB-CE2 3.69Å; V210-F229 HydrophobicContact CB-CZ 3.91Å; V210-F229 HydrophobicContact CG1-CD1 4.26Å; V210-F229 HydrophobicContact CG1-CD2 3.43Å; V210-F229 VanDerWaalsContact CG1-CD2 3.43Å; V210-F229 HydrophobicContact CG1-CE1 4.23Å; V210-F229 HydrophobicContact CG1-CE2 3.43Å; V210-F229 VanDerWaalsContact CG1-CE2 3.43Å; V210-F229 HydrophobicContact CG1-CG 3.88Å; V210-F229 HydrophobicContact CG1-CZ 3.83Å; V210-F229 HydrophobicContact CG2-CE2 4.2Å; L214-F229 HydrophobicContact CD1-CB 4.19Å; L214-F229 HydrophobicContact CD1-CD1 4.32Å; L214-F229 HydrophobicContact CD1-CG 4.3Å; F229-W236 AromaticContact CE1-CH2 3.77Å; F229-W236 HydrophobicContact CE1-CH2 3.77Å; F229-W236 HydrophobicContact CE1-CZ2 4.26Å; F229-W236 AromaticContact CZ-CH2 3.84Å; F229-W236 HydrophobicContact CZ-CH2 3.84Å; F229-W236 HydrophobicContact CZ-CZ2 4.41Å; F229-P330 HydrophobicContact CD1-CG 4.45Å; F229-V332 HydrophobicContact CB-CG2 3.89Å; F229-E333 PolarHBondContact N-O 3.1Å; F229-V334 HydrophobicContact CD1-CG1 4.35Å; F229-V334 HydrophobicContact CD1-CG2 4.41Å; F229-V334 CarbonylContact O-C 3.47Å; F229-V334 VanDerWaalsContact O-CA 3.31Å; F229-V334 WeakPolarHBondContact O-CA 3.48Å; F229-W335 PolarHBondContact O-N 2.76Å
230	I	98.8	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.9	172.9	-55	172.2	0	0	0	107.7	L200 L201 G202 L232 W335 M337 I413 I416 L417	L200-I230 PolarHBondContact O-N 3.01Å; L201-I230 CarbonylContact C-O 3.42Å; L201-I230 VanDerWaalsContact CA-O 3.25Å; L201-I230 WeakPolarHBondContact CA-O 3.41Å; L201-I230 HydrophobicContact CB-CB 4.28Å; L201-I230 HydrophobicContact CD1-CB 4.44Å; L201-I230 HydrophobicContact CD1-CG2 4.17Å; L201-I230 HydrophobicContact CG-CB 4.26Å; L201-I230 HydrophobicContact CG-CG2 4.27Å; G202-I230 PolarHBondContact N-O 3.5Å; I230-L232 HydrophobicContact CG2-CD2 4.04Å; I230-W335 HydrophobicContact CG1-CB 4.45Å; I230-W335 HydrophobicContact CG1-CE3 4.24Å; I230-M337 HydrophobicContact CG2-SD 3.84Å; I230-I413 HydrophobicContact CD1-CG2 4.47Å; I230-I416 HydrophobicContact CD1-CB 4.37Å; I230-I416 HydrophobicContact CD1-CD1 4.49Å; I230-I416 HydrophobicContact CD1-CG2 3.8Å; I230-I416 HydrophobicContact CG1-CG2 4.15Å; I230-L417 HydrophobicContact CD1-CD2 4.36Å
231	S	98.8	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.6	179.3	179.3	0	0	0	0	109.7	S207 A234 W236 W335 M337	S207-S231 WeakPolarHBondContact CB-OG 3.34Å; S207-S231 PolarHBondContact OG-OG 3.41Å; S231-A234 WeakPolarHBondContact OG-CB 3.47Å; S231-W236 WeakPolarHBondContact OG-CZ2 3.47Å; S231-W335 PolarHBondContact N-O 3.03Å; S231-M337 WeakPolarHBondContact O-CB 3.28Å; S231-M337 PolarHBondContact O-N 2.77Å
232	L	98.7	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.9	175.6	-53.4	-173.1	0	0	0	109.8	L201 G202 H203 S204 I230 A234 M337 V404 V409 I413	L201-L232 HydrophobicContact CD1-CD1 4.34Å; L201-L232 HydrophobicContact CD2-CD1 4.17Å; L201-L232 HydrophobicContact CD2-CG 4.47Å; L201-L232 HydrophobicContact CG-CD1 4.49Å; G202-L232 PolarHBondContact O-N 2.9Å; H203-L232 CarbonylContact C-O 3.53Å; H203-L232 WeakPolarHBondContact CA-O 3.34Å; H203-L232 HydrophobicContact CB-CB 4.41Å; S204-L232 PolarHBondContact N-O 3.34Å; I230-L232 HydrophobicContact CG2-CD2 4.04Å; L232-A234 VanDerWaalsContact C-N 3.29Å; L232-A234 PolarHBondContact O-N 2.78Å; L232-M337 CarbonylContact C-O 3.5Å; L232-M337 WeakPolarHBondContact CA-O 3.48Å; L232-M337 HydrophobicContact CD2-CB 3.8Å; L232-M337 HydrophobicContact CD2-CE 4.1Å; L232-M337 HydrophobicContact CD2-CG 4.38Å; L232-M337 HydrophobicContact CD2-SD 3.74Å; L232-V404 HydrophobicContact CD1-CG1 4.28Å; L232-V409 HydrophobicContact CD2-CG1 4.24Å; L232-I413 HydrophobicContact CD1-CD1 4.1Å; L232-I413 HydrophobicContact CD2-CD1 4.42Å
233	A	98.3	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	47.8	44.2	173	0	0	0	0	0	114.4	S204 P235 M337 M376 H400 M403	S204-A233 WeakPolarHBondContact CA-O 3.49Å; A233-P235 WeakPolarHBondContact O-CD 3.48Å; A233-M337 PolarHBondContact N-O 3.29Å; A233-M376 HydrophobicContact CB-SD 4.13Å; A233-H400 PolarHBondContact O-CE1 2.76Å; A233-M403 HydrophobicContact CB-CG 4.03Å; A233-M403 HydrophobicContact CB-SD 4.37Å
234	A	98.4	Very high	97.6	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.017	8%	0.077	C	C	.	.			trans	-76	123.7	-175.5	0	0	0	0	0	112.5	S231 L232 W236 M376	S231-A234 WeakPolarHBondContact OG-CB 3.47Å; L232-A234 VanDerWaalsContact C-N 3.29Å; L232-A234 PolarHBondContact O-N 2.78Å; A234-W236 HydrophobicContact CB-CD2 3.73Å; A234-W236 HydrophobicContact CB-CE3 4.15Å; A234-W236 HydrophobicContact CB-CG 4.33Å; A234-W236 HydrophobicContact CB-CH2 3.79Å; A234-W236 HydrophobicContact CB-CZ2 3.35Å; A234-W236 HydrophobicContact CB-CZ3 4.16Å; A234-W236 PolarHBondContact O-N 2.86Å; A234-M376 WeakPolarHBondContact O-CA 3.48Å; A234-M376 WeakPolarHBondContact O-CG 3.31Å
235	P	97.6	Very high	97.4	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.013	6%	0.06	C	C	.	.			trans	-79.4	63.1	178.8	33.2	-35.8	0	0	0	111.6	H208 A233 G237 G238 A239 L275 V371	H208-P235 VanDerWaalsContact NE2-C 3.31Å; H208-P235 PolarHBondContact NE2-O 2.88Å; A233-P235 WeakPolarHBondContact O-CD 3.48Å; P235-G237 PolarHBondContact O-N 3.17Å; P235-G237 VanDerWaalsContact O-N 3.11Å; P235-G238 WeakPolarHBondContact O-CA 3.45Å; P235-G238 PolarHBondContact O-N 3.47Å; P235-A239 HydrophobicContact CB-CB 4.26Å; P235-L275 HydrophobicContact CG-CD2 4.2Å; P235-V371 HydrophobicContact CB-CG1 3.76Å; P235-V371 HydrophobicContact CB-CG2 3.97Å
236	W	98.1	Very high	97.2	Very high	3 Å²	3	12 Å²	12	1%	0.011	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.8	-170.8	-62.7	123	0	0	0	114.2	H208 L211 F229 S231 A234 L327 S375 L378 W382	H208-W236 AromaticContact CE1-CE3 3.87Å; H208-W236 PolarHBondContact CE1-O 3.27Å; L211-W236 HydrophobicContact CB-CH2 4.34Å; L211-W236 HydrophobicContact CB-CZ3 3.89Å; L211-W236 HydrophobicContact CD2-CE3 3.89Å; L211-W236 HydrophobicContact CD2-CH2 4.46Å; L211-W236 HydrophobicContact CD2-CZ3 3.58Å; L211-W236 HydrophobicContact CG-CZ3 4.31Å; F229-W236 AromaticContact CE1-CH2 3.77Å; F229-W236 HydrophobicContact CE1-CH2 3.77Å; F229-W236 HydrophobicContact CE1-CZ2 4.26Å; F229-W236 AromaticContact CZ-CH2 3.84Å; F229-W236 HydrophobicContact CZ-CH2 3.84Å; F229-W236 HydrophobicContact CZ-CZ2 4.41Å; S231-W236 WeakPolarHBondContact OG-CZ2 3.47Å; A234-W236 HydrophobicContact CB-CD2 3.73Å; A234-W236 HydrophobicContact CB-CE3 4.15Å; A234-W236 HydrophobicContact CB-CG 4.33Å; A234-W236 HydrophobicContact CB-CH2 3.79Å; A234-W236 HydrophobicContact CB-CZ2 3.35Å; A234-W236 HydrophobicContact CB-CZ3 4.16Å; A234-W236 PolarHBondContact O-N 2.86Å; W236-L327 HydrophobicContact CB-CD1 4.02Å; W236-L327 HydrophobicContact CB-CD2 3.78Å; W236-L327 HydrophobicContact CD2-CD2 4.3Å; W236-L327 HydrophobicContact CE3-CD2 3.97Å; W236-L327 HydrophobicContact CG-CD2 4.27Å; W236-S375 WeakPolarHBondContact CB-O 3.46Å; W236-L378 HydrophobicContact CB-CB 3.89Å; W236-L378 HydrophobicContact CB-CD1 4.09Å; W236-L378 HydrophobicContact CG-CB 4.46Å; W236-W382 HydrophobicContact CD2-CH2 4.1Å; W236-W382 AromaticContact CE2-CH2 3.79Å; W236-W382 HydrophobicContact CE3-CH2 4.19Å; W236-W382 AromaticContact CH2-CH2 3.73Å; W236-W382 HydrophobicContact CH2-CH2 3.73Å; W236-W382 HydrophobicContact CH2-CZ3 4.39Å; W236-W382 AromaticContact CZ2-CH2 3.59Å; W236-W382 HydrophobicContact CZ2-CH2 3.59Å; W236-W382 AromaticContact CZ2-CZ3 3.93Å; W236-W382 HydrophobicContact CZ2-CZ3 3.93Å; W236-W382 HydrophobicContact CZ3-CH2 4.04Å
237	G	96.7	Very high	97.1	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.01	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	8.9	178	0	0	0	0	0	114.2	P235 P277 S278 W282 S375	P235-G237 PolarHBondContact O-N 3.17Å; P235-G237 VanDerWaalsContact O-N 3.11Å; G237-P277 WeakPolarHBondContact O-CA 3.33Å; G237-S278 PolarHBondContact O-N 3.23Å; G237-W282 VanDerWaalsContact O-CD1 3.29Å; G237-W282 PolarHBondContact O-NE1 3.44Å; G237-S375 WeakPolarHBondContact CA-OG 3.43Å; G237-S375 PolarHBondContact N-OG 3.22Å
238	G	96.8	Very high	96.9	Very high	5 Å²	5	7.1 Å²	7.1	5%	0.052	4%	0.037	C	C	.	.			trans	88.5	175.8	-166.3	0	0	0	0	0	112.4	P235 L275 S375	P235-G238 WeakPolarHBondContact O-CA 3.45Å; P235-G238 PolarHBondContact O-N 3.47Å; G238-L275 CarbonylContact C-O 3.6Å; G238-L275 WeakPolarHBondContact CA-O 3.4Å; G238-S375 PolarHBondContact N-OG 2.96Å; G238-S375 WeakPolarHBondContact O-CB 3.37Å; G238-S375 PolarHBondContact O-OG 2.8Å
239	A	95.8	Very high	96.6	Very high	10 Å²	10	7.1 Å²	7.1	8%	0.083	4%	0.037	C	C	.	.			trans	-125.8	128.6	178.2	0	0	0	0	0	110.1	P235 K241 A242 L275 V371	P235-A239 HydrophobicContact CB-CB 4.26Å; A239-K241 PolarHBondContact O-N 3.23Å; A239-A242 WeakPolarHBondContact O-CB 3.41Å; A239-A242 PolarHBondContact O-N 3.33Å; A239-A242 VanDerWaalsContact O-N 3.09Å; A239-L275 PolarHBondContact N-O 2.96Å; A239-V371 HydrophobicContact CB-CG2 4.23Å
240	V	96.8	Very high	96.1	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.006	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.7	179.6	-179.5	0	0	0	0	111.7	A242 L243 P277 W282 F288 H348	V240-A242 PolarHBondContact O-N 3.36Å; V240-L243 WeakPolarHBondContact O-CB 3.47Å; V240-L243 PolarHBondContact O-N 3.24Å; V240-P277 HydrophobicContact CG2-CG 4.07Å; V240-W282 HydrophobicContact CG2-CH2 3.96Å; V240-W282 HydrophobicContact CG2-CZ2 4.09Å; V240-F288 HydrophobicContact CB-CD1 4.46Å; V240-F288 HydrophobicContact CG1-CD1 4.02Å; V240-F288 HydrophobicContact CG2-CD1 3.68Å; V240-F288 HydrophobicContact CG2-CE1 3.77Å; V240-H348 PolarHBondContact O-CE1 3.36Å
241	K	95.3	Very high	95.1	Very high	57 Å²	57	9.9 Å²	9.9	25%	0.248	5%	0.051	C	C	.	.	H	α-helix	trans	-53.8	-33.4	172.6	-173.4	176.5	-178.5	176.1	0	113.2	A239 L243 R244 V245 D252 T370	A239-K241 PolarHBondContact O-N 3.23Å; K241-L243 PolarHBondContact O-N 2.98Å; K241-R244 WeakPolarHBondContact O-CB 3.29Å; K241-R244 PolarHBondContact O-N 3.44Å; K241-V245 HydrophobicContact CG-CG2 4.46Å; K241-V245 WeakPolarHBondContact O-CG2 3.35Å; K241-V245 PolarHBondContact O-N 3.5Å; K241-D252 WeakPolarHBondContact CE-OD1 3.42Å; K241-D252 IonicContact NZ-OD1 2.93Å; K241-D252 PolarHBondContact NZ-OD1 3.25Å; K241-T370 HydrophobicContact CD-CG2 3.9Å
242	A	95.8	Very high	94	Very high	9 Å²	9	12.7 Å²	12.7	7%	0.074	7%	0.066	C	C	.	.	H	α-helix	trans	-61.7	-28.9	178.8	0	0	0	0	0	112.6	A239 V240 L246 L276	A239-A242 WeakPolarHBondContact O-CB 3.41Å; A239-A242 PolarHBondContact O-N 3.33Å; A239-A242 VanDerWaalsContact O-N 3.09Å; V240-A242 PolarHBondContact O-N 3.36Å; A242-L246 WeakPolarHBondContact O-CG 3.47Å; A242-L246 PolarHBondContact O-N 3.08Å; A242-L276 HydrophobicContact CB-CD2 3.95Å
243	L	97	Very high	92.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-68.1	-38.9	173.6	-71.5	167.4	0	0	0	112	V240 K241 L246 T247 L276 P277 F288 I289 F301 L304	V240-L243 WeakPolarHBondContact O-CB 3.47Å; V240-L243 PolarHBondContact O-N 3.24Å; K241-L243 PolarHBondContact O-N 2.98Å; L243-L246 PolarHBondContact O-N 3.33Å; L243-T247 WeakPolarHBondContact O-CB 3.48Å; L243-T247 WeakPolarHBondContact O-CG2 3.22Å; L243-T247 PolarHBondContact O-N 2.9Å; L243-T247 PolarHBondContact O-OG1 2.82Å; L243-L276 HydrophobicContact CD2-CD1 4.3Å; L243-L276 HydrophobicContact CD2-CD2 3.44Å; L243-L276 VanDerWaalsContact CD2-CD2 3.44Å; L243-L276 HydrophobicContact CD2-CG 4.46Å; L243-L276 HydrophobicContact CG-CD2 3.62Å; L243-P277 HydrophobicContact CD1-CG 4.1Å; L243-F288 HydrophobicContact CD1-CB 3.28Å; L243-F288 HydrophobicContact CD1-CD1 4.08Å; L243-F288 HydrophobicContact CD1-CD2 4.26Å; L243-F288 HydrophobicContact CD1-CG 3.63Å; L243-I289 HydrophobicContact CB-CD1 4.12Å; L243-I289 HydrophobicContact CB-CG1 4.44Å; L243-I289 HydrophobicContact CD2-CD1 4.28Å; L243-F301 HydrophobicContact CD1-CE1 4.23Å; L243-F301 HydrophobicContact CD2-CD1 4.28Å; L243-F301 HydrophobicContact CD2-CE1 3.67Å; L243-F301 HydrophobicContact CD2-CZ 4.29Å; L243-L304 HydrophobicContact CD2-CD2 3.63Å
244	R	95.3	Very high	91.4	Very high	42 Å²	42	17 Å²	17	16%	0.158	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-46.7	174.1	-175.5	177.4	174.5	-158.7	-15.5	111.5	K241 L246 T247 S248 G249 E250 H348 P359	K241-R244 WeakPolarHBondContact O-CB 3.29Å; K241-R244 PolarHBondContact O-N 3.44Å; R244-L246 VanDerWaalsContact C-N 3.26Å; R244-L246 PolarHBondContact O-N 3.16Å; R244-T247 VanDerWaalsContact CA-OG1 3.29Å; R244-T247 WeakPolarHBondContact CA-OG1 3.35Å; R244-T247 PolarHBondContact O-N 2.98Å; R244-T247 PolarHBondContact O-OG1 3.01Å; R244-T247 VanDerWaalsContact O-OG1 3.13Å; R244-S248 PolarHBondContact O-N 3.02Å; R244-G249 PolarHBondContact O-N 3.15Å; R244-E250 IonicContact CZ-OE2 2.77Å; R244-E250 IonicContact NE-OE2 3.85Å; R244-E250 IonicContact NH1-OE2 2.83Å; R244-E250 PolarHBondContact NH1-OE2 2.82Å; R244-E250 IonicContact NH2-OE1 3.85Å; R244-E250 IonicContact NH2-OE2 3.2Å; R244-E250 PolarHBondContact NH2-OE2 3.3Å; R244-E250 VanDerWaalsContact NH2-OE2 3.07Å; R244-H348 WeakPolarHBondContact CB-NE2 3.22Å; R244-P359 HydrophobicContact CG-CG 4.41Å
245	V	94.4	Very high	89.8	Confident	12 Å²	12	21.6 Å²	21.6	7%	0.073	13%	0.132	C	C	.	.	H	α-helix	trans	-52.8	-44.1	175.6	167.1	0	0	0	0	111.4	K241 G249 E250 Q266	K241-V245 HydrophobicContact CG-CG2 4.46Å; K241-V245 WeakPolarHBondContact O-CG2 3.35Å; K241-V245 PolarHBondContact O-N 3.5Å; V245-G249 WeakPolarHBondContact O-CA 3.47Å; V245-E250 HydrophobicContact CG2-CB 4.01Å; V245-Q266 HydrophobicContact CG1-CB 3.59Å; V245-Q266 HydrophobicContact CG1-CG 3.89Å
246	L	96.1	Very high	88.6	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-77.7	-26.5	178.5	-66.5	173	0	0	0	113.4	A242 L243 R244 R267 N272 P273 L276 F305 F310	A242-L246 WeakPolarHBondContact O-CG 3.47Å; A242-L246 PolarHBondContact O-N 3.08Å; L243-L246 PolarHBondContact O-N 3.33Å; R244-L246 VanDerWaalsContact C-N 3.26Å; R244-L246 PolarHBondContact O-N 3.16Å; L246-R267 HydrophobicContact CD2-CG 4Å; L246-R267 VanDerWaalsContact O-CZ 3.22Å; L246-R267 PolarHBondContact O-NE 3.02Å; L246-R267 PolarHBondContact O-NH2 3.01Å; L246-N272 HydrophobicContact CD2-CB 4.06Å; L246-N272 HydrophobicContact CG-CB 4.43Å; L246-P273 HydrophobicContact CD1-CG 4.39Å; L246-L276 HydrophobicContact CD1-CD1 4.19Å; L246-L276 HydrophobicContact CD1-CD2 3.97Å; L246-L276 HydrophobicContact CD1-CG 4.29Å; L246-F305 HydrophobicContact CD1-CE1 4.07Å; L246-F305 HydrophobicContact CD1-CZ 4.16Å; L246-F310 HydrophobicContact CD2-CD1 4.44Å; L246-F310 HydrophobicContact CD2-CE1 3.99Å
247	T	95.6	Very high	87.7	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-87.5	-77.5	-176.8	48.1	0	0	0	0	112.4	L243 R244 R263 R267 I289 L304 I308 Y350 F354 P355	L243-T247 WeakPolarHBondContact O-CB 3.48Å; L243-T247 WeakPolarHBondContact O-CG2 3.22Å; L243-T247 PolarHBondContact O-N 2.9Å; L243-T247 PolarHBondContact O-OG1 2.82Å; R244-T247 VanDerWaalsContact CA-OG1 3.29Å; R244-T247 WeakPolarHBondContact CA-OG1 3.35Å; R244-T247 PolarHBondContact O-N 2.98Å; R244-T247 PolarHBondContact O-OG1 3.01Å; R244-T247 VanDerWaalsContact O-OG1 3.13Å; T247-R263 WeakPolarHBondContact O-CD 3.31Å; T247-R263 PolarHBondContact O-NH1 3.37Å; T247-R267 PolarHBondContact O-NH2 3.4Å; T247-I289 HydrophobicContact CG2-CD1 3.68Å; T247-L304 HydrophobicContact CG2-CD1 4.09Å; T247-I308 HydrophobicContact CG2-CG2 4.13Å; T247-Y350 PolarHBondContact OG1-OH 3.3Å; T247-F354 HydrophobicContact CG2-CE2 3.8Å; T247-F354 HydrophobicContact CG2-CZ 4.08Å; T247-P355 CarbonylContact C-O 3.56Å; T247-P355 VanDerWaalsContact O-O 3.08Å
248	S	94.3	Very high	87.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-15.2	-178.2	47.5	0	0	0	0	113.7	R244 N259 Y350 P355 G357	R244-S248 PolarHBondContact O-N 3.02Å; S248-N259 CarbonylContact O-C 3.6Å; S248-N259 WeakPolarHBondContact O-CB 3.49Å; S248-Y350 PolarHBondContact OG-OH 3.4Å; S248-P355 WeakPolarHBondContact CA-O 3.33Å; S248-G357 WeakPolarHBondContact CB-O 3.46Å
249	G	92.3	Very high	86.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.			trans	83.8	157.6	-172.2	0	0	0	0	0	112.1	R244 V245	R244-G249 PolarHBondContact O-N 3.15Å; V245-G249 WeakPolarHBondContact O-CA 3.47Å
250	E	86.6	Confident	86.6	Confident	21 Å²	21	35.7 Å²	35.7	10%	0.098	21%	0.206	C	C	.	.			trans	-139.6	118.3	177.4	176.8	64.4	-88.4	0	0	108.6	R244 V245 D252 Q266	R244-E250 IonicContact CZ-OE2 2.77Å; R244-E250 IonicContact NE-OE2 3.85Å; R244-E250 IonicContact NH1-OE2 2.83Å; R244-E250 PolarHBondContact NH1-OE2 2.82Å; R244-E250 IonicContact NH2-OE1 3.85Å; R244-E250 IonicContact NH2-OE2 3.2Å; R244-E250 PolarHBondContact NH2-OE2 3.3Å; R244-E250 VanDerWaalsContact NH2-OE2 3.07Å; V245-E250 HydrophobicContact CG2-CB 4.01Å; E250-D252 VanDerWaalsContact C-N 3.29Å; E250-D252 WeakPolarHBondContact CG-OD1 3.36Å; E250-D252 PolarHBondContact OE1-N 3.14Å; E250-Q266 PolarHBondContact O-NE2 2.69Å
251	N	79.3	Confident	86.1	Confident	37 Å²	37	37.9 Å²	37.9	20%	0.198	22%	0.215	C	C	.	.			trans	-86.4	-1.3	178.7	70.3	4.8	0	0	0	113.2	G253 I254 L257 N259 I262	N251-G253 PolarHBondContact O-N 2.9Å; N251-G253 PolarHBondContact OD1-N 3.43Å; N251-I254 VanDerWaalsContact O-CB 3.31Å; N251-I254 WeakPolarHBondContact O-CB 3.02Å; N251-I254 VanDerWaalsContact O-CG1 3.22Å; N251-I254 WeakPolarHBondContact O-CG1 3.49Å; N251-I254 PolarHBondContact O-N 2.81Å; N251-L257 HydrophobicContact CB-CB 4.46Å; N251-L257 HydrophobicContact CB-CD2 4.4Å; N251-L257 HydrophobicContact CB-CG 4.3Å; N251-L257 WeakPolarHBondContact CB-O 3.28Å; N251-L257 PolarHBondContact ND2-O 3.49Å; N251-N259 WeakPolarHBondContact CB-OD1 3.5Å; N251-N259 VanDerWaalsContact CG-OD1 3.25Å; N251-N259 PolarHBondContact N-OD1 2.87Å; N251-I262 HydrophobicContact CB-CG2 4.28Å
252	D	75.9	Confident	85.8	Confident	59 Å²	59	35.6 Å²	35.6	32%	0.316	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	30	179.3	-71.6	-49.7	0	0	0	113.1	W26 K241 E250	W26-D252 PolarHBondContact NE1-O 3.24Å; K241-D252 WeakPolarHBondContact CE-OD1 3.42Å; K241-D252 IonicContact NZ-OD1 2.93Å; K241-D252 PolarHBondContact NZ-OD1 3.25Å; E250-D252 VanDerWaalsContact C-N 3.29Å; E250-D252 WeakPolarHBondContact CG-OD1 3.36Å; E250-D252 PolarHBondContact OE1-N 3.14Å
253	G	69.8	Low	85.7	Confident	56 Å²	56	36.3 Å²	36.3	58%	0.577	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	10.7	-179.7	0	0	0	0	0	115.1	N251 P255	N251-G253 PolarHBondContact O-N 2.9Å; N251-G253 PolarHBondContact OD1-N 3.43Å; G253-P255 WeakPolarHBondContact O-CD 3.41Å
254	I	71.1	Confident	85.2	Confident	34 Å²	34	40.6 Å²	40.6	17%	0.174	23%	0.226	C	C	.	.			trans	-65	112.4	174.2	-63.1	169.3	0	0	0	108.9	F90 N251 L257	F90-I254 HydrophobicContact CB-CG2 4.11Å; F90-I254 HydrophobicContact CD1-CD1 4.4Å; F90-I254 HydrophobicContact CD1-CG2 3.72Å; F90-I254 HydrophobicContact CD2-CG2 4.37Å; F90-I254 HydrophobicContact CE1-CD1 3.85Å; F90-I254 HydrophobicContact CE1-CG2 4.24Å; F90-I254 HydrophobicContact CG-CG2 3.8Å; F90-I254 HydrophobicContact CZ-CD1 4.04Å; N251-I254 VanDerWaalsContact O-CB 3.31Å; N251-I254 WeakPolarHBondContact O-CB 3.02Å; N251-I254 VanDerWaalsContact O-CG1 3.22Å; N251-I254 WeakPolarHBondContact O-CG1 3.49Å; N251-I254 PolarHBondContact O-N 2.81Å; I254-L257 HydrophobicContact CB-CB 4.28Å; I254-L257 HydrophobicContact CB-CD2 4.12Å; I254-L257 HydrophobicContact CD1-CD2 4.11Å; I254-L257 HydrophobicContact CG2-CB 3.94Å; I254-L257 HydrophobicContact CG2-CD2 4.03Å; I254-L257 PolarHBondContact O-N 3.04Å
255	P	65.8	Low	84.9	Confident	100 Å²	100	38.8 Å²	38.8	65%	0.649	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	146.2	-176.5	-22	34.3	0	0	0	111.6	G253 L257	G253-P255 WeakPolarHBondContact O-CD 3.41Å; P255-L257 PolarHBondContact O-N 3.29Å; P255-L257 VanDerWaalsContact O-N 3.16Å
256	M	72.4	Confident	84.7	Confident	163 Å²	163	39 Å²	39	80%	0.803	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	3.7	177.5	-51	-65.1	163.1	0	0	115.8
257	L	79.9	Confident	84.6	Confident	7 Å²	7	40 Å²	40	4%	0.037	22%	0.223	C	C	.	.			trans	-101.5	119.9	171.4	179.9	61.7	0	0	0	109.7	F90 V95 N251 I254 P255 I262	F90-L257 HydrophobicContact CD1-CD2 4.4Å; V95-L257 HydrophobicContact CB-CD1 4.38Å; V95-L257 HydrophobicContact CG1-CD1 3.52Å; V95-L257 HydrophobicContact CG2-CD1 3.95Å; N251-L257 HydrophobicContact CB-CB 4.46Å; N251-L257 HydrophobicContact CB-CD2 4.4Å; N251-L257 HydrophobicContact CB-CG 4.3Å; N251-L257 WeakPolarHBondContact CB-O 3.28Å; N251-L257 PolarHBondContact ND2-O 3.49Å; I254-L257 HydrophobicContact CB-CB 4.28Å; I254-L257 HydrophobicContact CB-CD2 4.12Å; I254-L257 HydrophobicContact CD1-CD2 4.11Å; I254-L257 HydrophobicContact CG2-CB 3.94Å; I254-L257 HydrophobicContact CG2-CD2 4.03Å; I254-L257 PolarHBondContact O-N 3.04Å; P255-L257 PolarHBondContact O-N 3.29Å; P255-L257 VanDerWaalsContact O-N 3.16Å; L257-I262 HydrophobicContact CD1-CB 4.17Å; L257-I262 HydrophobicContact CD2-CB 3.93Å; L257-I262 HydrophobicContact CD2-CD1 3.98Å; L257-I262 HydrophobicContact CD2-CG1 3.97Å; L257-I262 HydrophobicContact CG-CB 4.04Å
258	S	85.9	Confident	84.2	Confident	68 Å²	68	42.6 Å²	42.6	48%	0.476	24%	0.236	S	C	.	.			trans	-80.4	144.4	177.2	63	0	0	0	0	112.1	I260 K261 I262	S258-I260 VanDerWaalsContact C-N 3.34Å; S258-I260 PolarHBondContact O-N 2.94Å; S258-K261 PolarHBondContact O-N 3Å; S258-K261 WeakPolarHBondContact OG-CB 3.47Å; S258-K261 PolarHBondContact OG-N 3.43Å; S258-I262 PolarHBondContact O-N 3.46Å; S258-I262 VanDerWaalsContact O-N 3.09Å
259	N	87.7	Confident	84.1	Confident	20 Å²	20	42.9 Å²	42.9	11%	0.107	24%	0.238	C	C	.	.	H	α-helix	trans	-52.8	-46.9	176.8	-70.7	-16.7	0	0	0	112.8	S248 N251 K261 I262 R263 D358	S248-N259 CarbonylContact O-C 3.6Å; S248-N259 WeakPolarHBondContact O-CB 3.49Å; N251-N259 WeakPolarHBondContact CB-OD1 3.5Å; N251-N259 VanDerWaalsContact CG-OD1 3.25Å; N251-N259 PolarHBondContact N-OD1 2.87Å; N259-K261 VanDerWaalsContact C-N 3.26Å; N259-K261 PolarHBondContact O-N 3.43Å; N259-I262 WeakPolarHBondContact O-CG2 3.31Å; N259-I262 PolarHBondContact O-N 3.28Å; N259-R263 VanDerWaalsContact O-CB 3.3Å; N259-R263 WeakPolarHBondContact O-CB 3.22Å; N259-R263 PolarHBondContact O-N 3.26Å; N259-D358 PolarHBondContact ND2-OD1 3.48Å; N259-D358 PolarHBondContact ND2-OD2 2.99Å
260	I	90.4	Very high	84	Confident	58 Å²	58	43 Å²	43	30%	0.297	24%	0.238	S	C	.	.	H	α-helix	trans	-62.3	-34	179.2	-60	-60.9	0	0	0	112.8	S258 R263 D356	S258-I260 VanDerWaalsContact C-N 3.34Å; S258-I260 PolarHBondContact O-N 2.94Å; I260-R263 WeakPolarHBondContact O-CB 3.38Å; I260-D356 HydrophobicContact CD1-CB 4.16Å; I260-D356 VanDerWaalsContact CD1-O 3.3Å; I260-D356 WeakPolarHBondContact CD1-O 2.89Å
261	K	87.9	Confident	84.3	Confident	48 Å²	48	42 Å²	42	21%	0.209	23%	0.234	C	C	.	.	H	α-helix	trans	-73.2	-48	179.1	-171.6	53.2	166.2	174.7	0	111.8	V95 D96 I99 S258 N259 R263 E264	V95-K261 HydrophobicContact CG1-CG 3.98Å; D96-K261 WeakPolarHBondContact OD1-CE 3.33Å; D96-K261 IonicContact OD1-NZ 2.76Å; D96-K261 PolarHBondContact OD1-NZ 2.98Å; I99-K261 HydrophobicContact CD1-CD 3.97Å; I99-K261 HydrophobicContact CD1-CG 3.89Å; I99-K261 VanDerWaalsContact CD1-O 3.27Å; I99-K261 WeakPolarHBondContact CD1-O 3.31Å; S258-K261 PolarHBondContact O-N 3Å; S258-K261 WeakPolarHBondContact OG-CB 3.47Å; S258-K261 PolarHBondContact OG-N 3.43Å; N259-K261 VanDerWaalsContact C-N 3.26Å; N259-K261 PolarHBondContact O-N 3.43Å; K261-R263 PolarHBondContact O-N 3.06Å; K261-E264 IonicContact NZ-OE1 2.66Å; K261-E264 IonicContact NZ-OE2 3.2Å; K261-E264 PolarHBondContact NZ-OE2 3.12Å; K261-E264 WeakPolarHBondContact O-CB 3.44Å; K261-E264 PolarHBondContact O-N 2.96Å
262	I	87.8	Confident	85	Confident	9 Å²	9	40.8 Å²	40.8	5%	0.046	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-29.5	177.7	-168.3	56.1	0	0	0	111.7	W98 N251 L257 S258 N259 E264 E265 Q266	W98-I262 HydrophobicContact CH2-CD1 3.88Å; W98-I262 HydrophobicContact CZ3-CD1 3.52Å; N251-I262 HydrophobicContact CB-CG2 4.28Å; L257-I262 HydrophobicContact CD1-CB 4.17Å; L257-I262 HydrophobicContact CD2-CB 3.93Å; L257-I262 HydrophobicContact CD2-CD1 3.98Å; L257-I262 HydrophobicContact CD2-CG1 3.97Å; L257-I262 HydrophobicContact CG-CB 4.04Å; S258-I262 PolarHBondContact O-N 3.46Å; S258-I262 VanDerWaalsContact O-N 3.09Å; N259-I262 WeakPolarHBondContact O-CG2 3.31Å; N259-I262 PolarHBondContact O-N 3.28Å; I262-E264 PolarHBondContact O-N 2.61Å; I262-E265 HydrophobicContact CD1-CB 4.37Å; I262-E265 WeakPolarHBondContact O-CB 3.33Å; I262-E265 PolarHBondContact O-N 3.2Å; I262-Q266 HydrophobicContact CG1-CG 4.07Å; I262-Q266 WeakPolarHBondContact O-CG 3.42Å; I262-Q266 PolarHBondContact O-N 3.16Å
263	R	93.2	Very high	86	Confident	24 Å²	24	38 Å²	38	9%	0.091	21%	0.212	C	C	.	.	H	α-helix	trans	-55	-36.1	172.7	-174	-178.6	67.4	178.8	0.7	113.3	T247 N259 I260 K261 E265 Q266 R267 P355 D356	T247-R263 WeakPolarHBondContact O-CD 3.31Å; T247-R263 PolarHBondContact O-NH1 3.37Å; N259-R263 VanDerWaalsContact O-CB 3.3Å; N259-R263 WeakPolarHBondContact O-CB 3.22Å; N259-R263 PolarHBondContact O-N 3.26Å; I260-R263 WeakPolarHBondContact O-CB 3.38Å; K261-R263 PolarHBondContact O-N 3.06Å; R263-E265 PolarHBondContact O-N 2.95Å; R263-Q266 PolarHBondContact O-N 3.1Å; R263-R267 HydrophobicContact CG-CG 4.12Å; R263-R267 WeakPolarHBondContact O-CB 3.34Å; R263-R267 WeakPolarHBondContact O-CG 3.41Å; R263-R267 PolarHBondContact O-N 3.07Å; R263-P355 PolarHBondContact NH1-O 3.03Å; R263-D356 IonicContact CZ-OD1 2.87Å; R263-D356 IonicContact NH1-OD1 2.64Å; R263-D356 PolarHBondContact NH1-OD1 3.26Å; R263-D356 IonicContact NH2-OD1 3.76Å; R263-D356 PolarHBondContact NH2-OD1 3.08Å
264	E	88.4	Confident	87.3	Confident	91 Å²	91	35.9 Å²	35.9	43%	0.425	19%	0.187	S	C	.	.	H	α-helix	trans	-58	-35.1	177	-66	179.8	179	0	0	111.7	I99 K261 I262 M268	I99-E264 HydrophobicContact CG2-CB 4.41Å; K261-E264 IonicContact NZ-OE1 2.66Å; K261-E264 IonicContact NZ-OE2 3.2Å; K261-E264 PolarHBondContact NZ-OE2 3.12Å; K261-E264 WeakPolarHBondContact O-CB 3.44Å; K261-E264 PolarHBondContact O-N 2.96Å; I262-E264 PolarHBondContact O-N 2.61Å; E264-M268 WeakPolarHBondContact O-CG 3.34Å
265	E	88.8	Confident	88.5	Confident	3 Å²	3	35 Å²	35	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-84.8	-45.8	179	-170.3	-79.5	144.8	0	0	111.1	W98 I99 I102 I262 R263 R267 M268 M269	W98-E265 HydrophobicContact CH2-CG 3.91Å; W98-E265 HydrophobicContact CZ3-CB 4.35Å; W98-E265 HydrophobicContact CZ3-CG 3.81Å; I99-E265 HydrophobicContact CB-CB 4.36Å; I99-E265 HydrophobicContact CD1-CB 4.22Å; I99-E265 HydrophobicContact CG1-CB 3.85Å; I99-E265 HydrophobicContact CG1-CG 4.23Å; I99-E265 HydrophobicContact CG2-CB 3.99Å; I99-E265 HydrophobicContact CG2-CG 4.48Å; I102-E265 HydrophobicContact CG2-CG 3.34Å; I102-E265 WeakPolarHBondContact CG2-OE1 3.19Å; I262-E265 HydrophobicContact CD1-CB 4.37Å; I262-E265 WeakPolarHBondContact O-CB 3.33Å; I262-E265 PolarHBondContact O-N 3.2Å; R263-E265 PolarHBondContact O-N 2.95Å; E265-R267 VanDerWaalsContact C-N 3.3Å; E265-R267 PolarHBondContact O-N 2.93Å; E265-M268 WeakPolarHBondContact O-CA 3.5Å; E265-M268 WeakPolarHBondContact O-CB 3.42Å; E265-M268 PolarHBondContact O-N 3.1Å; E265-M269 WeakPolarHBondContact OE1-CE 3.33Å; E265-M269 WeakPolarHBondContact OE2-CE 3.43Å
266	Q	90.1	Very high	90	Very high	16 Å²	16	30.4 Å²	30.4	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-37.6	-179.8	-71.8	171.7	-27.2	0	0	112.9	V245 E250 I262 R263 M268 M269 N272	V245-Q266 HydrophobicContact CG1-CB 3.59Å; V245-Q266 HydrophobicContact CG1-CG 3.89Å; E250-Q266 PolarHBondContact O-NE2 2.69Å; I262-Q266 HydrophobicContact CG1-CG 4.07Å; I262-Q266 WeakPolarHBondContact O-CG 3.42Å; I262-Q266 PolarHBondContact O-N 3.16Å; R263-Q266 PolarHBondContact O-N 3.1Å; Q266-M268 PolarHBondContact O-N 3.23Å; Q266-M269 PolarHBondContact O-N 3.34Å; Q266-N272 PolarHBondContact O-ND2 3.29Å
267	R	92.8	Very high	91.1	Very high	24 Å²	24	22.7 Å²	22.7	9%	0.091	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.2	173.7	-76.1	179.9	176.7	-175.2	3.1	112.6	L246 T247 R263 E265 I308 F310	L246-R267 HydrophobicContact CD2-CG 4Å; L246-R267 VanDerWaalsContact O-CZ 3.22Å; L246-R267 PolarHBondContact O-NE 3.02Å; L246-R267 PolarHBondContact O-NH2 3.01Å; T247-R267 PolarHBondContact O-NH2 3.4Å; R263-R267 HydrophobicContact CG-CG 4.12Å; R263-R267 WeakPolarHBondContact O-CB 3.34Å; R263-R267 WeakPolarHBondContact O-CG 3.41Å; R263-R267 PolarHBondContact O-N 3.07Å; E265-R267 VanDerWaalsContact C-N 3.3Å; E265-R267 PolarHBondContact O-N 2.93Å; R267-I308 PolarHBondContact NH1-O 3.23Å; R267-I308 PolarHBondContact NH2-O 3.4Å; R267-F310 HydrophobicContact CB-CD1 4.1Å; R267-F310 HydrophobicContact CB-CD2 4.19Å; R267-F310 HydrophobicContact CB-CE1 3.84Å; R267-F310 HydrophobicContact CB-CE2 3.96Å; R267-F310 HydrophobicContact CB-CG 4.3Å; R267-F310 HydrophobicContact CB-CZ 3.83Å; R267-F310 HydrophobicContact CG-CD1 3.82Å; R267-F310 HydrophobicContact CG-CD2 4.49Å; R267-F310 HydrophobicContact CG-CE1 3.98Å; R267-F310 HydrophobicContact CG-CG 4.13Å; R267-F310 HydrophobicContact CG-CZ 4.45Å; R267-F310 WeakPolarHBondContact O-CZ 3.32Å
268	M	88.3	Confident	91.6	Very high	56 Å²	56	23 Å²	23	28%	0.276	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.9	-176.4	-55.4	-67.4	172.7	0	0	112.9	R103 L104 E264 E265 Q266	R103-M268 HydrophobicContact CB-CB 3.94Å; R103-M268 HydrophobicContact CB-CG 4.03Å; L104-M268 WeakPolarHBondContact CB-O 3.2Å; E264-M268 WeakPolarHBondContact O-CG 3.34Å; E265-M268 WeakPolarHBondContact O-CA 3.5Å; E265-M268 WeakPolarHBondContact O-CB 3.42Å; E265-M268 PolarHBondContact O-N 3.1Å; Q266-M268 PolarHBondContact O-N 3.23Å
269	M	91.1	Very high	91.8	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.034	11%	0.111	C	C	.	.			trans	-83.4	126.1	171.9	-56.3	-175.9	-164.8	0	0	110.4	L55 W169 R170 E265 Q266 T271 N272 P273	L55-M269 HydrophobicContact CD2-CE 4.24Å; W169-M269 HydrophobicContact CE3-SD 4.14Å; W169-M269 HydrophobicContact CH2-CE 4.12Å; W169-M269 HydrophobicContact CZ3-CE 3.5Å; W169-M269 HydrophobicContact CZ3-SD 3.63Å; R170-M269 HydrophobicContact CB-CG 4.45Å; R170-M269 HydrophobicContact CG-CG 4.48Å; R170-M269 CarbonylContact O-C 3.51Å; E265-M269 WeakPolarHBondContact OE1-CE 3.33Å; E265-M269 WeakPolarHBondContact OE2-CE 3.43Å; Q266-M269 PolarHBondContact O-N 3.34Å; M269-T271 PolarHBondContact O-N 2.86Å; M269-N272 PolarHBondContact O-N 3.21Å; M269-P273 WeakPolarHBondContact O-CD 3.38Å
270	T	90.8	Very high	91.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.9	179.2	59.4	0	0	0	0	113.3	S113 R170 L171 A172 W274 M316	S113-T270 WeakPolarHBondContact OG-CG2 3.4Å; R170-T270 PolarHBondContact O-N 2.83Å; R170-T270 PolarHBondContact O-OG1 2.78Å; L171-T270 WeakPolarHBondContact CA-OG1 3.46Å; A172-T270 PolarHBondContact N-OG1 2.87Å; T270-W274 PolarHBondContact O-N 3.16Å; T270-M316 HydrophobicContact CG2-CE 4.21Å; T270-M316 HydrophobicContact CG2-CG 4.04Å; T270-M316 HydrophobicContact CG2-SD 4.06Å
271	T	93.9	Very high	91.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.7	-29.3	175.2	47.3	0	0	0	0	113.7	W169 L171 M205 M269 W274 L275	W169-T271 WeakPolarHBondContact O-CG2 3.41Å; W169-T271 PolarHBondContact O-OG1 2.99Å; L171-T271 VanDerWaalsContact O-CG2 3.23Å; L171-T271 WeakPolarHBondContact O-CG2 3.34Å; M205-T271 HydrophobicContact CE-CG2 3.86Å; M205-T271 VanDerWaalsContact SD-CB 3.56Å; M205-T271 HydrophobicContact SD-CG2 3.65Å; M269-T271 PolarHBondContact O-N 2.86Å; T271-W274 HydrophobicContact CG2-CE3 4.18Å; T271-W274 PolarHBondContact O-N 2.85Å; T271-L275 WeakPolarHBondContact O-CG 3.18Å; T271-L275 PolarHBondContact O-N 3.18Å
272	N	93.5	Very high	92.1	Very high	11 Å²	11	24.3 Å²	24.3	6%	0.059	12%	0.115	C	C	.	.	H	α-helix	trans	-67	-50	179	-76.2	-30.4	0	0	0	112.1	L246 Q266 M269 W274 L275	L246-N272 HydrophobicContact CD2-CB 4.06Å; L246-N272 HydrophobicContact CG-CB 4.43Å; Q266-N272 PolarHBondContact O-ND2 3.29Å; M269-N272 PolarHBondContact O-N 3.21Å; N272-W274 VanDerWaalsContact C-N 3.31Å; N272-W274 PolarHBondContact O-N 3Å; N272-L275 PolarHBondContact O-N 2.75Å
273	P	95.8	Very high	92.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-40.1	169	-26.4	35.8	0	0	0	112.9	L246 M269 L275 L276 M316 W317	L246-P273 HydrophobicContact CD1-CG 4.39Å; M269-P273 WeakPolarHBondContact O-CD 3.38Å; P273-L275 VanDerWaalsContact C-N 3.27Å; P273-L275 PolarHBondContact O-N 2.86Å; P273-L276 WeakPolarHBondContact O-CB 3.32Å; P273-L276 VanDerWaalsContact O-CG 3.28Å; P273-L276 WeakPolarHBondContact O-CG 3.45Å; P273-L276 PolarHBondContact O-N 3.04Å; P273-L276 VanDerWaalsContact O-N 3.17Å; P273-M316 HydrophobicContact CB-CB 4.11Å; P273-M316 HydrophobicContact CG-CB 4.02Å; P273-M316 HydrophobicContact CG-SD 4.16Å; P273-W317 HydrophobicContact CB-CB 4.07Å; P273-W317 VanDerWaalsContact O-CD1 3.29Å
274	W	97	Very high	92.3	Very high	13 Å²	13	31 Å²	31	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-36.6	179.8	175.8	35.3	0	0	0	113.3	A172 P173 M205 H208 Y209 T270 T271 N272 L276 T320 T324	A172-W274 HydrophobicContact CB-CB 4.36Å; A172-W274 HydrophobicContact CB-CD2 4.29Å; A172-W274 HydrophobicContact CB-CE3 4.2Å; A172-W274 HydrophobicContact CB-CG 4.38Å; P173-W274 VanDerWaalsContact CD-CZ3 3.43Å; P173-W274 HydrophobicContact CG-CH2 3.3Å; P173-W274 HydrophobicContact CG-CZ2 3.55Å; P173-W274 HydrophobicContact CG-CZ3 3.88Å; M205-W274 HydrophobicContact CG-CE3 4.49Å; M205-W274 HydrophobicContact CG-CZ3 3.8Å; M205-W274 HydrophobicContact SD-CE3 4.27Å; M205-W274 HydrophobicContact SD-CZ3 4.03Å; H208-W274 HydrophobicContact CB-CH2 3.5Å; H208-W274 HydrophobicContact CB-CZ2 3.72Å; H208-W274 HydrophobicContact CB-CZ3 4.45Å; Y209-W274 AromaticContact CD2-CH2 3.87Å; Y209-W274 HydrophobicContact CD2-CH2 3.87Å; Y209-W274 AromaticContact CD2-CZ3 3.91Å; Y209-W274 HydrophobicContact CD2-CZ3 3.91Å; Y209-W274 AromaticContact CE2-CH2 3.92Å; Y209-W274 HydrophobicContact CE2-CH2 3.92Å; Y209-W274 AromaticContact CE2-CZ3 3.56Å; Y209-W274 HydrophobicContact CE2-CZ3 3.56Å; T270-W274 PolarHBondContact O-N 3.16Å; T271-W274 HydrophobicContact CG2-CE3 4.18Å; T271-W274 PolarHBondContact O-N 2.85Å; N272-W274 VanDerWaalsContact C-N 3.31Å; N272-W274 PolarHBondContact O-N 3Å; W274-L276 VanDerWaalsContact C-N 3.27Å; W274-L276 PolarHBondContact O-N 3.03Å; W274-T320 WeakPolarHBondContact CA-OG1 3.22Å; W274-T320 HydrophobicContact CB-CG2 4.33Å; W274-T324 HydrophobicContact CZ2-CG2 4.09Å
275	L	96.8	Very high	92.6	Very high	15 Å²	15	33 Å²	33	8%	0.079	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	9.8	-179.4	-68	178	0	0	0	114.4	M205 P235 G238 A239 T271 N272 P273	M205-L275 HydrophobicContact CB-CD1 4.18Å; M205-L275 HydrophobicContact CG-CD1 4.09Å; M205-L275 HydrophobicContact CG-CD2 4.34Å; M205-L275 HydrophobicContact SD-CD1 3.73Å; M205-L275 HydrophobicContact SD-CG 4.33Å; P235-L275 HydrophobicContact CG-CD2 4.2Å; G238-L275 CarbonylContact C-O 3.6Å; G238-L275 WeakPolarHBondContact CA-O 3.4Å; A239-L275 PolarHBondContact N-O 2.96Å; T271-L275 WeakPolarHBondContact O-CG 3.18Å; T271-L275 PolarHBondContact O-N 3.18Å; N272-L275 PolarHBondContact O-N 2.75Å; P273-L275 VanDerWaalsContact C-N 3.27Å; P273-L275 PolarHBondContact O-N 2.86Å
276	L	97.3	Very high	93	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	-63.1	150.9	173.7	-71.4	-173.6	0	0	0	112.1	A242 L243 L246 P273 W274 S278 F301 F305 W317	A242-L276 HydrophobicContact CB-CD2 3.95Å; L243-L276 HydrophobicContact CD2-CD1 4.3Å; L243-L276 HydrophobicContact CD2-CD2 3.44Å; L243-L276 VanDerWaalsContact CD2-CD2 3.44Å; L243-L276 HydrophobicContact CD2-CG 4.46Å; L243-L276 HydrophobicContact CG-CD2 3.62Å; L246-L276 HydrophobicContact CD1-CD1 4.19Å; L246-L276 HydrophobicContact CD1-CD2 3.97Å; L246-L276 HydrophobicContact CD1-CG 4.29Å; P273-L276 WeakPolarHBondContact O-CB 3.32Å; P273-L276 VanDerWaalsContact O-CG 3.28Å; P273-L276 WeakPolarHBondContact O-CG 3.45Å; P273-L276 PolarHBondContact O-N 3.04Å; P273-L276 VanDerWaalsContact O-N 3.17Å; W274-L276 VanDerWaalsContact C-N 3.27Å; W274-L276 PolarHBondContact O-N 3.03Å; L276-S278 PolarHBondContact O-N 3.18Å; L276-F301 HydrophobicContact CB-CE2 3.99Å; L276-F301 HydrophobicContact CB-CZ 4.17Å; L276-F301 HydrophobicContact CD1-CD2 4.27Å; L276-F301 HydrophobicContact CD1-CE2 4.21Å; L276-F301 HydrophobicContact CD1-CZ 4.41Å; L276-F305 HydrophobicContact CD1-CE2 4.08Å; L276-F305 HydrophobicContact CD1-CZ 3.78Å; L276-W317 HydrophobicContact CD1-CG 4.46Å
277	P	96.3	Very high	93.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-49	123.1	174.5	-30.9	37.4	0	0	0	112.9	G237 V240 L243 W282 F288 F301	G237-P277 WeakPolarHBondContact O-CA 3.33Å; V240-P277 HydrophobicContact CG2-CG 4.07Å; L243-P277 HydrophobicContact CD1-CG 4.1Å; P277-W282 HydrophobicContact CB-CD2 4.29Å; P277-W282 HydrophobicContact CB-CG 4Å; P277-F288 HydrophobicContact CB-CD1 4.31Å; P277-F288 HydrophobicContact CB-CE1 3.54Å; P277-F288 HydrophobicContact CB-CE2 3.93Å; P277-F288 HydrophobicContact CB-CZ 3.32Å; P277-F288 HydrophobicContact CG-CD1 3.87Å; P277-F288 HydrophobicContact CG-CE1 3.52Å; P277-F288 HydrophobicContact CG-CE2 4.4Å; P277-F288 HydrophobicContact CG-CG 4.44Å; P277-F288 HydrophobicContact CG-CZ 3.82Å; P277-F301 HydrophobicContact CB-CZ 4.46Å; P277-F301 WeakPolarHBondContact O-CE2 3.41Å
278	S	90	Very high	93.6	Very high	14 Å²	14	34.6 Å²	34.6	10%	0.098	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-79.5	138.4	-175	178	0	0	0	0	113.2	G237 L276 E280 V281 W282 S325	G237-S278 PolarHBondContact O-N 3.23Å; L276-S278 PolarHBondContact O-N 3.18Å; S278-E280 PolarHBondContact O-N 3.09Å; S278-E280 PolarHBondContact OG-N 3.17Å; S278-V281 PolarHBondContact O-N 3.37Å; S278-W282 PolarHBondContact O-N 3.42Å; S278-W282 VanDerWaalsContact O-N 3.1Å; S278-S325 VanDerWaalsContact OG-CB 3.24Å; S278-S325 WeakPolarHBondContact OG-CB 3.41Å
279	E	90.6	Very high	94.1	Very high	75 Å²	75	32 Å²	32	35%	0.35	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.2	174.3	66.8	-171.6	167.4	0	0	114.3	V281 H298 K321	E279-V281 VanDerWaalsContact C-N 3.32Å; E279-H298 WeakPolarHBondContact CA-ND1 3.35Å; E279-H298 VanDerWaalsContact CB-ND1 3.28Å; E279-H298 WeakPolarHBondContact CB-ND1 3.39Å; E279-K321 IonicContact OE1-NZ 2.92Å; E279-K321 PolarHBondContact OE1-NZ 3.18Å
280	E	88.5	Confident	94.5	Very high	116 Å²	116	33.1 Å²	33.1	54%	0.542	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-16.2	-178.7	-66.1	-68.7	171	0	0	113.1	S278	S278-E280 PolarHBondContact O-N 3.09Å; S278-E280 PolarHBondContact OG-N 3.17Å
281	V	90.1	Very high	94.8	Very high	16 Å²	16	33.8 Å²	33.8	10%	0.097	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-40.8	-171.4	-51.7	0	0	0	0	113.2	S278 E279 L327 F374 L378	S278-V281 PolarHBondContact O-N 3.37Å; E279-V281 VanDerWaalsContact C-N 3.32Å; V281-L327 HydrophobicContact CG1-CD1 4.33Å; V281-F374 HydrophobicContact CB-CZ 4.46Å; V281-F374 HydrophobicContact CG2-CE1 4.39Å; V281-F374 VanDerWaalsContact O-CZ 3.26Å; V281-F374 WeakPolarHBondContact O-CZ 3.3Å; V281-L378 HydrophobicContact CB-CD1 3.98Å; V281-L378 HydrophobicContact CB-CD2 4.36Å; V281-L378 HydrophobicContact CG1-CD1 4.03Å; V281-L378 HydrophobicContact CG2-CD1 3.81Å
282	W	93.8	Very high	95	Very high	14 Å²	14	38 Å²	38	5%	0.053	20%	0.204	C	C	.	.	S	Bend	trans	-74.8	145.5	-176.8	-76.8	88.7	0	0	0	112.3	G237 V240 P277 S278 F288 D372 F374	G237-W282 VanDerWaalsContact O-CD1 3.29Å; G237-W282 PolarHBondContact O-NE1 3.44Å; V240-W282 HydrophobicContact CG2-CH2 3.96Å; V240-W282 HydrophobicContact CG2-CZ2 4.09Å; P277-W282 HydrophobicContact CB-CD2 4.29Å; P277-W282 HydrophobicContact CB-CG 4Å; S278-W282 PolarHBondContact O-N 3.42Å; S278-W282 VanDerWaalsContact O-N 3.1Å; W282-F288 HydrophobicContact CB-CZ 3.98Å; W282-F288 AromaticContact CD2-CE1 3.86Å; W282-F288 HydrophobicContact CD2-CE1 3.86Å; W282-F288 AromaticContact CD2-CZ 3.74Å; W282-F288 HydrophobicContact CD2-CZ 3.74Å; W282-F288 AromaticContact CE3-CE1 3.7Å; W282-F288 HydrophobicContact CE3-CE1 3.7Å; W282-F288 AromaticContact CE3-CZ 3.79Å; W282-F288 HydrophobicContact CE3-CZ 3.79Å; W282-F288 HydrophobicContact CG-CE1 4.39Å; W282-F288 AromaticContact CG-CZ 3.83Å; W282-F288 HydrophobicContact CG-CZ 3.83Å; W282-F288 HydrophobicContact CH2-CE1 4.4Å; W282-F288 AromaticContact CZ3-CE1 4Å; W282-F288 HydrophobicContact CZ3-CE1 4Å; W282-D372 HydrophobicContact CH2-CB 4.5Å; W282-D372 VanDerWaalsContact CH2-CG 3.4Å; W282-D372 WeakPolarHBondContact CH2-OD1 3.38Å; W282-D372 VanDerWaalsContact CH2-OD2 3.28Å; W282-D372 WeakPolarHBondContact CH2-OD2 3.49Å; W282-D372 WeakPolarHBondContact CZ2-OD2 3.38Å; W282-F374 HydrophobicContact CD2-CD1 4.13Å; W282-F374 AromaticContact CD2-CE1 3.82Å; W282-F374 HydrophobicContact CD2-CE1 3.82Å; W282-F374 AromaticContact CE2-CD1 3.98Å; W282-F374 AromaticContact CE2-CE1 3.93Å; W282-F374 HydrophobicContact CE3-CD1 4.18Å; W282-F374 HydrophobicContact CE3-CE1 4.13Å; W282-F374 HydrophobicContact CG-CE1 4.16Å; W282-F374 AromaticContact CH2-CD1 3.98Å; W282-F374 HydrophobicContact CH2-CD1 3.98Å; W282-F374 AromaticContact CZ2-CD1 3.93Å; W282-F374 HydrophobicContact CZ2-CD1 3.93Å; W282-F374 HydrophobicContact CZ2-CE1 4.36Å; W282-F374 HydrophobicContact CZ3-CD1 4.11Å
283	P	93.9	Very high	95.2	Very high	61 Å²	61	41.8 Å²	41.8	40%	0.396	24%	0.237	S	C	.	.			trans	-59.4	140.8	174.4	-22.2	33.3	0	0	0	112.2	D285 H286	P283-D285 WeakPolarHBondContact CB-OD1 3.43Å; P283-D285 PolarHBondContact O-N 3.06Å; P283-H286 HydrophobicContact CB-CB 4.25Å; P283-H286 WeakPolarHBondContact O-CB 3.28Å; P283-H286 PolarHBondContact O-N 3.29Å; P283-H286 VanDerWaalsContact O-N 3.12Å
284	E	91.3	Very high	95.3	Very high	113 Å²	113	44.2 Å²	44.2	53%	0.528	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.3	-175.4	-57.2	-172.4	148.2	0	0	114.2	H298 R299	E284-H298 WeakPolarHBondContact CA-NE2 3.41Å; E284-R299 IonicContact OE1-CZ 3.69Å; E284-R299 IonicContact OE1-NH2 3.31Å; E284-R299 PolarHBondContact OE1-NH2 2.81Å; E284-R299 IonicContact OE2-CZ 2.71Å; E284-R299 IonicContact OE2-NH1 3.29Å; E284-R299 PolarHBondContact OE2-NH1 3.21Å; E284-R299 VanDerWaalsContact OE2-NH1 3.13Å; E284-R299 IonicContact OE2-NH2 2.81Å; E284-R299 PolarHBondContact OE2-NH2 3.02Å
285	D	93.9	Very high	95.3	Very high	132 Å²	132	47.3 Å²	47.3	71%	0.706	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.1	-179.5	63.2	-27.7	0	0	0	113.2	P283 V287	P283-D285 WeakPolarHBondContact CB-OD1 3.43Å; P283-D285 PolarHBondContact O-N 3.06Å; D285-V287 PolarHBondContact O-N 3.05Å
286	H	97.6	Very high	95.4	Very high	40 Å²	40	47 Å²	47	19%	0.185	26%	0.263	C	S	.	.			trans	-68.3	117	176.5	-173.1	89.8	0	0	0	110.5	P283 F288 T297 V346	P283-H286 HydrophobicContact CB-CB 4.25Å; P283-H286 WeakPolarHBondContact O-CB 3.28Å; P283-H286 PolarHBondContact O-N 3.29Å; P283-H286 VanDerWaalsContact O-N 3.12Å; H286-F288 HydrophobicContact CB-CZ 4.45Å; H286-F288 AromaticContact CD2-CD1 3.32Å; H286-F288 WeakPolarHBondContact CD2-CD1 3.39Å; H286-F288 AromaticContact CD2-CE1 3.18Å; H286-F288 WeakPolarHBondContact CD2-CE1 3.18Å; H286-F288 AromaticContact CD2-CE2 3.96Å; H286-F288 AromaticContact CD2-CG 3.79Å; H286-F288 AromaticContact CD2-CZ 3.51Å; H286-F288 AromaticContact NE2-CD1 3.58Å; H286-F288 AromaticContact NE2-CE1 3.64Å; H286-T297 WeakPolarHBondContact O-CB 3.37Å; H286-T297 WeakPolarHBondContact O-CG2 3.35Å; H286-V346 PolarHBondContact NE2-O 3.04Å
287	V	98.3	Very high	95.4	Very high	37 Å²	37	47.7 Å²	47.7	22%	0.224	27%	0.267	C	S	.	.			trans	-86.2	118.4	176.5	179	0	0	0	0	109.1	D285 I289 N295 T297 T347	D285-V287 PolarHBondContact O-N 3.05Å; V287-I289 WeakPolarHBondContact CG1-O 3.46Å; V287-N295 HydrophobicContact CG1-CB 3.78Å; V287-N295 HydrophobicContact CG2-CB 4.09Å; V287-T297 HydrophobicContact CG2-CG2 4.42Å; V287-T347 HydrophobicContact CG1-CG2 4.24Å; V287-T347 WeakPolarHBondContact O-CB 3.16Å; V287-T347 WeakPolarHBondContact O-CG2 3.29Å; V287-T347 PolarHBondContact O-OG1 3.28Å
288	F	98.1	Very high	95.3	Very high	1 Å²	1	48 Å²	48	0%	0.004	27%	0.269	C	S	.	.	S	Bend	trans	-93.4	-32.5	178.4	-62.2	-75.7	0	0	0	113.2	V240 L243 P277 W282 H286 Y296 H298 T347 H348	V240-F288 HydrophobicContact CB-CD1 4.46Å; V240-F288 HydrophobicContact CG1-CD1 4.02Å; V240-F288 HydrophobicContact CG2-CD1 3.68Å; V240-F288 HydrophobicContact CG2-CE1 3.77Å; L243-F288 HydrophobicContact CD1-CB 3.28Å; L243-F288 HydrophobicContact CD1-CD1 4.08Å; L243-F288 HydrophobicContact CD1-CD2 4.26Å; L243-F288 HydrophobicContact CD1-CG 3.63Å; P277-F288 HydrophobicContact CB-CD1 4.31Å; P277-F288 HydrophobicContact CB-CE1 3.54Å; P277-F288 HydrophobicContact CB-CE2 3.93Å; P277-F288 HydrophobicContact CB-CZ 3.32Å; P277-F288 HydrophobicContact CG-CD1 3.87Å; P277-F288 HydrophobicContact CG-CE1 3.52Å; P277-F288 HydrophobicContact CG-CE2 4.4Å; P277-F288 HydrophobicContact CG-CG 4.44Å; P277-F288 HydrophobicContact CG-CZ 3.82Å; W282-F288 HydrophobicContact CB-CZ 3.98Å; W282-F288 AromaticContact CD2-CE1 3.86Å; W282-F288 HydrophobicContact CD2-CE1 3.86Å; W282-F288 AromaticContact CD2-CZ 3.74Å; W282-F288 HydrophobicContact CD2-CZ 3.74Å; W282-F288 AromaticContact CE3-CE1 3.7Å; W282-F288 HydrophobicContact CE3-CE1 3.7Å; W282-F288 AromaticContact CE3-CZ 3.79Å; W282-F288 HydrophobicContact CE3-CZ 3.79Å; W282-F288 HydrophobicContact CG-CE1 4.39Å; W282-F288 AromaticContact CG-CZ 3.83Å; W282-F288 HydrophobicContact CG-CZ 3.83Å; W282-F288 HydrophobicContact CH2-CE1 4.4Å; W282-F288 AromaticContact CZ3-CE1 4Å; W282-F288 HydrophobicContact CZ3-CE1 4Å; H286-F288 HydrophobicContact CB-CZ 4.45Å; H286-F288 AromaticContact CD2-CD1 3.32Å; H286-F288 WeakPolarHBondContact CD2-CD1 3.39Å; H286-F288 AromaticContact CD2-CE1 3.18Å; H286-F288 WeakPolarHBondContact CD2-CE1 3.18Å; H286-F288 AromaticContact CD2-CE2 3.96Å; H286-F288 AromaticContact CD2-CG 3.79Å; H286-F288 AromaticContact CD2-CZ 3.51Å; H286-F288 AromaticContact NE2-CD1 3.58Å; H286-F288 AromaticContact NE2-CE1 3.64Å; F288-Y296 PolarHBondContact N-O 3.07Å; F288-H298 HydrophobicContact CE2-CB 3.95Å; F288-T347 CarbonylContact O-C 3.59Å; F288-T347 WeakPolarHBondContact O-CA 3.44Å; F288-H348 PolarHBondContact O-N 3.4Å
289	I	98.5	Very high	95.6	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.4	176.7	-61.5	159.6	0	0	0	107.7	L243 T247 V287 T291 N295 Y296 L304 H348 Y350 F354	L243-I289 HydrophobicContact CB-CD1 4.12Å; L243-I289 HydrophobicContact CB-CG1 4.44Å; L243-I289 HydrophobicContact CD2-CD1 4.28Å; T247-I289 HydrophobicContact CG2-CD1 3.68Å; V287-I289 WeakPolarHBondContact CG1-O 3.46Å; I289-T291 HydrophobicContact CG2-CG2 4.01Å; I289-N295 CarbonylContact O-C 3.57Å; I289-N295 WeakPolarHBondContact O-CA 3.14Å; I289-Y296 HydrophobicContact CB-CD2 3.86Å; I289-Y296 HydrophobicContact CB-CG 4.42Å; I289-Y296 HydrophobicContact CG2-CD2 3.8Å; I289-Y296 HydrophobicContact CG2-CE2 4.31Å; I289-Y296 PolarHBondContact N-O 3.37Å; I289-Y296 PolarHBondContact O-N 3.27Å; I289-L304 HydrophobicContact CD1-CD1 3.63Å; I289-L304 HydrophobicContact CD1-CD2 3.67Å; I289-L304 HydrophobicContact CD1-CG 4.32Å; I289-H348 CarbonylContact C-O 3.45Å; I289-H348 WeakPolarHBondContact CA-O 3.29Å; I289-Y350 HydrophobicContact CG2-CD2 3.84Å; I289-Y350 HydrophobicContact CG2-CE2 3.99Å; I289-F354 HydrophobicContact CG2-CD2 4.45Å; I289-F354 HydrophobicContact CG2-CE2 3.85Å; I289-F354 HydrophobicContact CG2-CZ 4.33Å
290	S	98.5	Very high	95.9	Very high	31 Å²	31	52.8 Å²	52.8	22%	0.217	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.5	173.3	-172.3	0	0	0	0	109.5	N295 H348 Y350	S290-N295 WeakPolarHBondContact CA-OD1 3.37Å; S290-N295 WeakPolarHBondContact CB-OD1 3.35Å; S290-N295 PolarHBondContact OG-OD1 3.04Å; S290-H348 PolarHBondContact N-O 2.95Å; S290-Y350 PolarHBondContact O-N 3.28Å
291	T	98.3	Very high	96.2	Very high	15 Å²	15	47.3 Å²	47.3	9%	0.092	26%	0.259	C	S	.	.			trans	-130.4	165.4	176.5	72.1	0	0	0	0	108.8	I289 A293 F294 Y296 F354	I289-T291 HydrophobicContact CG2-CG2 4.01Å; T291-A293 PolarHBondContact O-N 3.29Å; T291-A293 VanDerWaalsContact O-N 3.15Å; T291-A293 PolarHBondContact OG1-N 3.31Å; T291-F294 PolarHBondContact N-O 2.83Å; T291-F294 PolarHBondContact O-N 3.36Å; T291-F294 PolarHBondContact OG1-N 2.87Å; T291-F294 PolarHBondContact OG1-O 2.76Å; T291-Y296 HydrophobicContact CG2-CE2 3.93Å; T291-F354 HydrophobicContact CG2-CB 4.09Å; T291-F354 HydrophobicContact CG2-CD1 3.86Å; T291-F354 HydrophobicContact CG2-CD2 3.91Å; T291-F354 HydrophobicContact CG2-CE1 4.25Å; T291-F354 HydrophobicContact CG2-CE2 4.3Å; T291-F354 HydrophobicContact CG2-CG 3.67Å; T291-F354 HydrophobicContact CG2-CZ 4.45Å
292	P	97.6	Very high	96.6	Very high	88 Å²	88	52.5 Å²	52.5	57%	0.571	28%	0.28	S	S	*	.	S	Bend	trans	-60.5	-25.5	176.1	-24.3	36.2	0	0	0	113.4	Y350 N351 E352	P292-Y350 WeakPolarHBondContact CD-O 3.28Å; P292-N351 WeakPolarHBondContact CD-O 3.37Å; P292-E352 HydrophobicContact CG-CG 4.38Å
293	A	96.4	Very high	96.8	Very high	92 Å²	92	57.1 Å²	57.1	76%	0.76	30%	0.297	S	S	*	.	S	Bend	trans	-96.3	-31.1	-176.2	0	0	0	0	0	113.9	T291	T291-A293 PolarHBondContact O-N 3.29Å; T291-A293 VanDerWaalsContact O-N 3.15Å; T291-A293 PolarHBondContact OG1-N 3.31Å
294	F	97.9	Very high	97	Very high	50 Å²	50	54.3 Å²	54.3	22%	0.219	28%	0.279	C	S	.	.			trans	-159.9	150.9	-171.3	-162.6	-104.2	0	0	0	113.4	T291 Y296 D300	T291-F294 PolarHBondContact N-O 2.83Å; T291-F294 PolarHBondContact O-N 3.36Å; T291-F294 PolarHBondContact OG1-N 2.87Å; T291-F294 PolarHBondContact OG1-O 2.76Å; F294-Y296 HydrophobicContact CB-CE2 4.28Å; F294-Y296 AromaticContact CD1-CD1 3.61Å; F294-Y296 HydrophobicContact CD1-CD1 3.61Å; F294-Y296 HydrophobicContact CD1-CD2 4.01Å; F294-Y296 AromaticContact CD1-CE1 3.56Å; F294-Y296 HydrophobicContact CD1-CE1 3.56Å; F294-Y296 AromaticContact CD1-CE2 3.97Å; F294-Y296 HydrophobicContact CD1-CE2 3.97Å; F294-Y296 AromaticContact CD1-CG 3.83Å; F294-Y296 HydrophobicContact CD1-CG 3.83Å; F294-Y296 AromaticContact CD1-CZ 3.75Å; F294-Y296 AromaticContact CE1-CD1 3.81Å; F294-Y296 HydrophobicContact CE1-CD1 3.81Å; F294-Y296 HydrophobicContact CE1-CE1 4.07Å; F294-Y296 HydrophobicContact CE1-CG 4.19Å; F294-D300 HydrophobicContact CE1-CB 3.97Å
295	N	98.3	Very high	97.3	Very high	79 Å²	79	49 Å²	49	42%	0.422	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.1	171.9	-75.3	-18.5	0	0	0	109.2	V287 I289 S290	V287-N295 HydrophobicContact CG1-CB 3.78Å; V287-N295 HydrophobicContact CG2-CB 4.09Å; I289-N295 CarbonylContact O-C 3.57Å; I289-N295 WeakPolarHBondContact O-CA 3.14Å; S290-N295 WeakPolarHBondContact CA-OD1 3.37Å; S290-N295 WeakPolarHBondContact CB-OD1 3.35Å; S290-N295 PolarHBondContact OG-OD1 3.04Å
296	Y	98.4	Very high	97.5	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.5	-177.9	-56	-94	0	0	0	111	F288 I289 T291 F294 D300 R303 L304 D307 F354	F288-Y296 PolarHBondContact N-O 3.07Å; I289-Y296 HydrophobicContact CB-CD2 3.86Å; I289-Y296 HydrophobicContact CB-CG 4.42Å; I289-Y296 HydrophobicContact CG2-CD2 3.8Å; I289-Y296 HydrophobicContact CG2-CE2 4.31Å; I289-Y296 PolarHBondContact N-O 3.37Å; I289-Y296 PolarHBondContact O-N 3.27Å; T291-Y296 HydrophobicContact CG2-CE2 3.93Å; F294-Y296 HydrophobicContact CB-CE2 4.28Å; F294-Y296 AromaticContact CD1-CD1 3.61Å; F294-Y296 HydrophobicContact CD1-CD1 3.61Å; F294-Y296 HydrophobicContact CD1-CD2 4.01Å; F294-Y296 AromaticContact CD1-CE1 3.56Å; F294-Y296 HydrophobicContact CD1-CE1 3.56Å; F294-Y296 AromaticContact CD1-CE2 3.97Å; F294-Y296 HydrophobicContact CD1-CE2 3.97Å; F294-Y296 AromaticContact CD1-CG 3.83Å; F294-Y296 HydrophobicContact CD1-CG 3.83Å; F294-Y296 AromaticContact CD1-CZ 3.75Å; F294-Y296 AromaticContact CE1-CD1 3.81Å; F294-Y296 HydrophobicContact CE1-CD1 3.81Å; F294-Y296 HydrophobicContact CE1-CE1 4.07Å; F294-Y296 HydrophobicContact CE1-CG 4.19Å; Y296-D300 HydrophobicContact CD1-CB 4.11Å; Y296-R303 HydrophobicContact CE1-CG 4.22Å; Y296-L304 HydrophobicContact CD1-CB 3.7Å; Y296-L304 HydrophobicContact CD1-CD1 3.93Å; Y296-L304 HydrophobicContact CD1-CG 4.38Å; Y296-L304 HydrophobicContact CD2-CD1 4.26Å; Y296-L304 HydrophobicContact CE1-CB 4.02Å; Y296-L304 HydrophobicContact CE1-CD1 4.01Å; Y296-L304 HydrophobicContact CE2-CD1 4.33Å; Y296-L304 HydrophobicContact CG-CB 4.44Å; Y296-L304 HydrophobicContact CG-CD1 4.06Å; Y296-D307 WeakPolarHBondContact CE1-OD2 3.17Å; Y296-D307 PolarHBondContact OH-OD2 3.47Å; Y296-F354 HydrophobicContact CE2-CE1 4.15Å; Y296-F354 HydrophobicContact CE2-CZ 4.18Å
297	T	97.8	Very high	97.5	Very high	17 Å²	17	47.3 Å²	47.3	10%	0.104	25%	0.249	C	C	.	.			trans	-102.7	-177.3	165.6	83.1	0	0	0	0	110.4	H286 V287 R299 D300	H286-T297 WeakPolarHBondContact O-CB 3.37Å; H286-T297 WeakPolarHBondContact O-CG2 3.35Å; V287-T297 HydrophobicContact CG2-CG2 4.42Å; T297-R299 PolarHBondContact O-N 3.34Å; T297-R299 PolarHBondContact OG1-N 3.34Å; T297-D300 PolarHBondContact N-OD2 3.44Å; T297-D300 PolarHBondContact O-N 3.4Å; T297-D300 PolarHBondContact OG1-OD2 2.93Å
298	H	94.6	Very high	97.4	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.032	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-63.3	-19.1	175.4	69.4	85.1	0	0	0	113.2	E279 E284 F288 D300 F301	E279-H298 WeakPolarHBondContact CA-ND1 3.35Å; E279-H298 VanDerWaalsContact CB-ND1 3.28Å; E279-H298 WeakPolarHBondContact CB-ND1 3.39Å; E284-H298 WeakPolarHBondContact CA-NE2 3.41Å; F288-H298 HydrophobicContact CE2-CB 3.95Å; H298-D300 VanDerWaalsContact C-N 3.28Å; H298-F301 HydrophobicContact CB-CE2 3.96Å; H298-F301 HydrophobicContact CB-CZ 3.91Å; H298-F301 WeakPolarHBondContact O-CD2 3.35Å
299	R	94.9	Very high	97.4	Very high	150 Å²	150	51 Å²	51	57%	0.566	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-74.7	-20.8	175.1	-67.9	175.7	159.4	173	-11.8	112.8	E284 T297	E284-R299 IonicContact OE1-CZ 3.69Å; E284-R299 IonicContact OE1-NH2 3.31Å; E284-R299 PolarHBondContact OE1-NH2 2.81Å; E284-R299 IonicContact OE2-CZ 2.71Å; E284-R299 IonicContact OE2-NH1 3.29Å; E284-R299 PolarHBondContact OE2-NH1 3.21Å; E284-R299 VanDerWaalsContact OE2-NH1 3.13Å; E284-R299 IonicContact OE2-NH2 2.81Å; E284-R299 PolarHBondContact OE2-NH2 3.02Å; T297-R299 PolarHBondContact O-N 3.34Å; T297-R299 PolarHBondContact OG1-N 3.34Å
300	D	96.9	Very high	97.2	Very high	40 Å²	40	51.6 Å²	51.6	21%	0.214	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-99	7.3	-173.1	-57.4	-62.5	0	0	0	112.9	F294 Y296 T297 H298 K302 R303 L304	F294-D300 HydrophobicContact CE1-CB 3.97Å; Y296-D300 HydrophobicContact CD1-CB 4.11Å; T297-D300 PolarHBondContact N-OD2 3.44Å; T297-D300 PolarHBondContact O-N 3.4Å; T297-D300 PolarHBondContact OG1-OD2 2.93Å; H298-D300 VanDerWaalsContact C-N 3.28Å; D300-K302 VanDerWaalsContact C-N 3.26Å; D300-K302 PolarHBondContact O-N 3.32Å; D300-R303 CarbonylContact O-C 3.56Å; D300-R303 WeakPolarHBondContact O-CA 3.44Å; D300-R303 WeakPolarHBondContact O-CB 3.47Å; D300-R303 PolarHBondContact O-N 3.04Å; D300-L304 PolarHBondContact O-N 2.75Å
301	F	96.3	Very high	97.1	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-56.6	-37	-176.8	-72	-19.7	0	0	0	113.6	L243 L276 P277 H298 R303 L304 F305 W314 W317	L243-F301 HydrophobicContact CD1-CE1 4.23Å; L243-F301 HydrophobicContact CD2-CD1 4.28Å; L243-F301 HydrophobicContact CD2-CE1 3.67Å; L243-F301 HydrophobicContact CD2-CZ 4.29Å; L276-F301 HydrophobicContact CB-CE2 3.99Å; L276-F301 HydrophobicContact CB-CZ 4.17Å; L276-F301 HydrophobicContact CD1-CD2 4.27Å; L276-F301 HydrophobicContact CD1-CE2 4.21Å; L276-F301 HydrophobicContact CD1-CZ 4.41Å; P277-F301 HydrophobicContact CB-CZ 4.46Å; P277-F301 WeakPolarHBondContact O-CE2 3.41Å; H298-F301 HydrophobicContact CB-CE2 3.96Å; H298-F301 HydrophobicContact CB-CZ 3.91Å; H298-F301 WeakPolarHBondContact O-CD2 3.35Å; F301-R303 VanDerWaalsContact C-N 3.3Å; F301-R303 PolarHBondContact O-N 3.05Å; F301-L304 HydrophobicContact CD1-CD2 4.16Å; F301-L304 WeakPolarHBondContact O-CB 3.4Å; F301-L304 PolarHBondContact O-N 2.78Å; F301-F305 HydrophobicContact CB-CD2 4.43Å; F301-F305 HydrophobicContact CB-CE2 4.35Å; F301-F305 WeakPolarHBondContact O-CD2 3.37Å; F301-F305 PolarHBondContact O-N 2.59Å; F301-W314 HydrophobicContact CB-CE3 4.43Å; F301-W314 HydrophobicContact CB-CZ3 4.2Å; F301-W317 HydrophobicContact CD2-CD2 4.31Å; F301-W317 AromaticContact CD2-CE2 3.65Å; F301-W317 HydrophobicContact CD2-CH2 4.34Å; F301-W317 AromaticContact CD2-CZ2 3.67Å; F301-W317 HydrophobicContact CD2-CZ2 3.67Å; F301-W317 AromaticContact CD2-NE1 3.79Å; F301-W317 HydrophobicContact CE2-CZ2 4.18Å; F301-W317 AromaticContact CE2-NE1 3.94Å
302	K	97.6	Very high	97	Very high	124 Å²	124	55.8 Å²	55.8	54%	0.539	30%	0.296	S	S	.	.	H	α-helix	trans	-58.4	-45.9	174.5	-171.3	172.6	-177.3	175	0	111.6	D300 T306 W314	D300-K302 VanDerWaalsContact C-N 3.26Å; D300-K302 PolarHBondContact O-N 3.32Å; K302-T306 PolarHBondContact O-N 3.09Å; K302-T306 PolarHBondContact O-OG1 3.18Å; K302-W314 HydrophobicContact CB-CD2 3.8Å; K302-W314 HydrophobicContact CB-CE3 3.6Å; K302-W314 HydrophobicContact CB-CH2 3.79Å; K302-W314 HydrophobicContact CB-CZ2 4.02Å; K302-W314 HydrophobicContact CB-CZ3 3.58Å; K302-W314 HydrophobicContact CD-CD2 4.42Å; K302-W314 HydrophobicContact CD-CH2 4.46Å; K302-W314 HydrophobicContact CD-CZ2 3.94Å; K302-W314 HydrophobicContact CG-CD2 3.81Å; K302-W314 HydrophobicContact CG-CE3 4.16Å; K302-W314 HydrophobicContact CG-CG 4.23Å; K302-W314 HydrophobicContact CG-CH2 4.43Å; K302-W314 HydrophobicContact CG-CZ2 4.15Å; K302-W314 HydrophobicContact CG-CZ3 4.44Å
303	R	98	Very high	97	Very high	111 Å²	111	51.6 Å²	51.6	42%	0.419	27%	0.269	S	S	.	.	H	α-helix	trans	-66	-45.1	177	179.3	-178.6	173.7	160.8	-1.7	110.7	Y296 D300 F301 F305 T306 D307	Y296-R303 HydrophobicContact CE1-CG 4.22Å; D300-R303 CarbonylContact O-C 3.56Å; D300-R303 WeakPolarHBondContact O-CA 3.44Å; D300-R303 WeakPolarHBondContact O-CB 3.47Å; D300-R303 PolarHBondContact O-N 3.04Å; F301-R303 VanDerWaalsContact C-N 3.3Å; F301-R303 PolarHBondContact O-N 3.05Å; R303-F305 VanDerWaalsContact C-N 3.34Å; R303-F305 PolarHBondContact O-N 2.98Å; R303-T306 WeakPolarHBondContact O-CB 3.32Å; R303-T306 PolarHBondContact O-N 3.35Å; R303-T306 VanDerWaalsContact O-N 3.12Å; R303-D307 WeakPolarHBondContact CG-OD2 3.38Å; R303-D307 IonicContact NE-OD2 3.82Å; R303-D307 PolarHBondContact NE-OD2 2.9Å; R303-D307 WeakPolarHBondContact O-CB 3.3Å; R303-D307 VanDerWaalsContact O-CG 3.29Å; R303-D307 PolarHBondContact O-N 3.26Å
304	L	97.8	Very high	97	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-53.7	-50.7	176.9	178.1	64.7	0	0	0	111.3	L243 T247 I289 Y296 D300 F301 T306 D307 I308 F354	L243-L304 HydrophobicContact CD2-CD2 3.63Å; T247-L304 HydrophobicContact CG2-CD1 4.09Å; I289-L304 HydrophobicContact CD1-CD1 3.63Å; I289-L304 HydrophobicContact CD1-CD2 3.67Å; I289-L304 HydrophobicContact CD1-CG 4.32Å; Y296-L304 HydrophobicContact CD1-CB 3.7Å; Y296-L304 HydrophobicContact CD1-CD1 3.93Å; Y296-L304 HydrophobicContact CD1-CG 4.38Å; Y296-L304 HydrophobicContact CD2-CD1 4.26Å; Y296-L304 HydrophobicContact CE1-CB 4.02Å; Y296-L304 HydrophobicContact CE1-CD1 4.01Å; Y296-L304 HydrophobicContact CE2-CD1 4.33Å; Y296-L304 HydrophobicContact CG-CB 4.44Å; Y296-L304 HydrophobicContact CG-CD1 4.06Å; D300-L304 PolarHBondContact O-N 2.75Å; F301-L304 HydrophobicContact CD1-CD2 4.16Å; F301-L304 WeakPolarHBondContact O-CB 3.4Å; F301-L304 PolarHBondContact O-N 2.78Å; L304-T306 VanDerWaalsContact C-N 3.28Å; L304-T306 PolarHBondContact O-N 2.94Å; L304-D307 PolarHBondContact O-N 2.81Å; L304-I308 HydrophobicContact CD1-CG2 3.99Å; L304-I308 WeakPolarHBondContact O-CG1 3.23Å; L304-I308 WeakPolarHBondContact O-CG2 3.09Å; L304-I308 PolarHBondContact O-N 3.29Å; L304-F354 HydrophobicContact CD1-CZ 3.84Å
305	F	98	Very high	97	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-34.9	179.1	-78.4	-62.5	0	0	0	112.9	L246 L276 F301 R303 I308 S309 F310 G313 W314 W317	L246-F305 HydrophobicContact CD1-CE1 4.07Å; L246-F305 HydrophobicContact CD1-CZ 4.16Å; L276-F305 HydrophobicContact CD1-CE2 4.08Å; L276-F305 HydrophobicContact CD1-CZ 3.78Å; F301-F305 HydrophobicContact CB-CD2 4.43Å; F301-F305 HydrophobicContact CB-CE2 4.35Å; F301-F305 WeakPolarHBondContact O-CD2 3.37Å; F301-F305 PolarHBondContact O-N 2.59Å; R303-F305 VanDerWaalsContact C-N 3.34Å; R303-F305 PolarHBondContact O-N 2.98Å; F305-I308 HydrophobicContact CD1-CD1 4.18Å; F305-S309 PolarHBondContact O-N 2.91Å; F305-F310 HydrophobicContact CD1-CB 4.49Å; F305-F310 AromaticContact CD1-CD1 3.71Å; F305-F310 HydrophobicContact CD1-CD1 3.71Å; F305-F310 HydrophobicContact CD1-CE1 4.29Å; F305-F310 HydrophobicContact CD1-CG 4.43Å; F305-F310 VanDerWaalsContact CD1-O 3.31Å; F305-F310 WeakPolarHBondContact CD1-O 3.37Å; F305-F310 AromaticContact CE1-CD1 3.73Å; F305-F310 HydrophobicContact CE1-CD1 3.73Å; F305-F310 AromaticContact CE1-CE1 3.93Å; F305-F310 HydrophobicContact CE1-CE1 3.93Å; F305-F310 CarbonylContact O-C 3.58Å; F305-F310 VanDerWaalsContact O-C 3.31Å; F305-F310 PolarHBondContact O-N 3.37Å; F305-G313 WeakPolarHBondContact CZ-O 3.36Å; F305-W314 HydrophobicContact CB-CB 3.88Å; F305-W314 VanDerWaalsContact CD2-CA 3.41Å; F305-W314 HydrophobicContact CD2-CB 3.73Å; F305-W314 HydrophobicContact CD2-CE3 4.19Å; F305-W314 HydrophobicContact CG-CB 3.98Å; F305-W317 HydrophobicContact CE2-CB 4.04Å; F305-W317 HydrophobicContact CE2-CG 4.47Å; F305-W317 HydrophobicContact CZ-CB 4.38Å
306	T	98	Very high	97	Very high	73 Å²	73	45.2 Å²	45.2	45%	0.448	22%	0.219	S	C	.	.	H	α-helix	trans	-67.1	-49.9	171	-61	0	0	0	0	111.6	K302 R303 L304 I308 S309	K302-T306 PolarHBondContact O-N 3.09Å; K302-T306 PolarHBondContact O-OG1 3.18Å; R303-T306 WeakPolarHBondContact O-CB 3.32Å; R303-T306 PolarHBondContact O-N 3.35Å; R303-T306 VanDerWaalsContact O-N 3.12Å; L304-T306 VanDerWaalsContact C-N 3.28Å; L304-T306 PolarHBondContact O-N 2.94Å; T306-I308 PolarHBondContact O-N 3.12Å; T306-S309 PolarHBondContact O-N 3.03Å
307	D	97.6	Very high	96.9	Very high	63 Å²	63	45.3 Å²	45.3	34%	0.337	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-31.1	-175.8	-69.9	-8.2	0	0	0	111.7	Y296 R303 L304 S309	Y296-D307 WeakPolarHBondContact CE1-OD2 3.17Å; Y296-D307 PolarHBondContact OH-OD2 3.47Å; R303-D307 WeakPolarHBondContact CG-OD2 3.38Å; R303-D307 IonicContact NE-OD2 3.82Å; R303-D307 PolarHBondContact NE-OD2 2.9Å; R303-D307 WeakPolarHBondContact O-CB 3.3Å; R303-D307 VanDerWaalsContact O-CG 3.29Å; R303-D307 PolarHBondContact O-N 3.26Å; L304-D307 PolarHBondContact O-N 2.81Å; D307-S309 VanDerWaalsContact C-N 3.34Å
308	I	96.6	Very high	96.8	Very high	4 Å²	4	48 Å²	48	2%	0.021	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	7.8	175.6	76.3	-175.1	0	0	0	114.7	T247 R267 L304 F305 T306 F310 F354 P355	T247-I308 HydrophobicContact CG2-CG2 4.13Å; R267-I308 PolarHBondContact NH1-O 3.23Å; R267-I308 PolarHBondContact NH2-O 3.4Å; L304-I308 HydrophobicContact CD1-CG2 3.99Å; L304-I308 WeakPolarHBondContact O-CG1 3.23Å; L304-I308 WeakPolarHBondContact O-CG2 3.09Å; L304-I308 PolarHBondContact O-N 3.29Å; F305-I308 HydrophobicContact CD1-CD1 4.18Å; T306-I308 PolarHBondContact O-N 3.12Å; I308-F310 VanDerWaalsContact C-N 3.32Å; I308-F310 HydrophobicContact CD1-CB 4.18Å; I308-F310 HydrophobicContact CG1-CB 3.83Å; I308-F310 PolarHBondContact O-N 3.39Å; I308-F354 HydrophobicContact CG2-CE1 4.06Å; I308-F354 HydrophobicContact CG2-CZ 3.7Å; I308-P355 HydrophobicContact CB-CB 4.24Å; I308-P355 HydrophobicContact CB-CG 4.19Å; I308-P355 HydrophobicContact CG2-CB 3.76Å; I308-P355 HydrophobicContact CG2-CG 4.13Å
309	S	96.7	Very high	96.9	Very high	111 Å²	111	49.9 Å²	49.9	78%	0.776	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	41.6	-177.9	-58.6	0	0	0	0	113.7	F305 T306 D307	F305-S309 PolarHBondContact O-N 2.91Å; T306-S309 PolarHBondContact O-N 3.03Å; D307-S309 VanDerWaalsContact C-N 3.34Å
310	F	96.1	Very high	97	Very high	14 Å²	14	42.8 Å²	42.8	6%	0.061	22%	0.215	C	C	.	.			trans	-134.1	59.8	179.8	-176.8	-132.8	0	0	0	112.1	L246 R267 F305 I308 D312 G313 M316	L246-F310 HydrophobicContact CD2-CD1 4.44Å; L246-F310 HydrophobicContact CD2-CE1 3.99Å; R267-F310 HydrophobicContact CB-CD1 4.1Å; R267-F310 HydrophobicContact CB-CD2 4.19Å; R267-F310 HydrophobicContact CB-CE1 3.84Å; R267-F310 HydrophobicContact CB-CE2 3.96Å; R267-F310 HydrophobicContact CB-CG 4.3Å; R267-F310 HydrophobicContact CB-CZ 3.83Å; R267-F310 HydrophobicContact CG-CD1 3.82Å; R267-F310 HydrophobicContact CG-CD2 4.49Å; R267-F310 HydrophobicContact CG-CE1 3.98Å; R267-F310 HydrophobicContact CG-CG 4.13Å; R267-F310 HydrophobicContact CG-CZ 4.45Å; R267-F310 WeakPolarHBondContact O-CZ 3.32Å; F305-F310 HydrophobicContact CD1-CB 4.49Å; F305-F310 AromaticContact CD1-CD1 3.71Å; F305-F310 HydrophobicContact CD1-CD1 3.71Å; F305-F310 HydrophobicContact CD1-CE1 4.29Å; F305-F310 HydrophobicContact CD1-CG 4.43Å; F305-F310 VanDerWaalsContact CD1-O 3.31Å; F305-F310 WeakPolarHBondContact CD1-O 3.37Å; F305-F310 AromaticContact CE1-CD1 3.73Å; F305-F310 HydrophobicContact CE1-CD1 3.73Å; F305-F310 AromaticContact CE1-CE1 3.93Å; F305-F310 HydrophobicContact CE1-CE1 3.93Å; F305-F310 CarbonylContact O-C 3.58Å; F305-F310 VanDerWaalsContact O-C 3.31Å; F305-F310 PolarHBondContact O-N 3.37Å; I308-F310 VanDerWaalsContact C-N 3.32Å; I308-F310 HydrophobicContact CD1-CB 4.18Å; I308-F310 HydrophobicContact CG1-CB 3.83Å; I308-F310 PolarHBondContact O-N 3.39Å; F310-D312 VanDerWaalsContact C-N 3.26Å; F310-D312 HydrophobicContact CD2-CB 4.39Å; F310-D312 HydrophobicContact CE2-CB 3.85Å; F310-D312 PolarHBondContact O-N 2.97Å; F310-G313 VanDerWaalsContact CZ-N 3.3Å; F310-G313 PolarHBondContact O-N 3.23Å; F310-M316 HydrophobicContact CZ-CE 4.43Å; F310-M316 HydrophobicContact CZ-SD 3.96Å
311	E	96.3	Very high	96.9	Very high	93 Å²	93	43.4 Å²	43.4	44%	0.435	22%	0.215	S	C	.	.	H	α-helix	trans	-60.5	-29.7	-179.3	-68.4	-177.9	177.2	0	0	114.4	R108 G313 W314	R108-E311 IonicContact CZ-OE2 3.12Å; R108-E311 IonicContact NH1-OE2 2.67Å; R108-E311 PolarHBondContact NH1-OE2 2.82Å; R108-E311 IonicContact NH2-OE2 2.74Å; R108-E311 PolarHBondContact NH2-OE2 3.16Å; E311-G313 PolarHBondContact O-N 3.44Å; E311-W314 WeakPolarHBondContact O-CB 3.04Å; E311-W314 PolarHBondContact O-N 3.46Å; E311-W314 VanDerWaalsContact O-N 3.15Å
312	D	96.3	Very high	96.8	Very high	42 Å²	42	48.3 Å²	48.3	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-34.1	175.1	-75.2	-1.6	0	0	0	111	Y106 R108 F310 W314 H315 M316	Y106-D312 HydrophobicContact CD1-CB 4.22Å; R108-D312 IonicContact CZ-OD1 3.08Å; R108-D312 IonicContact NE-OD1 2.85Å; R108-D312 PolarHBondContact NE-OD1 2.84Å; R108-D312 IonicContact NH2-OD1 3.6Å; R108-D312 PolarHBondContact NH2-OD1 2.89Å; F310-D312 VanDerWaalsContact C-N 3.26Å; F310-D312 HydrophobicContact CD2-CB 4.39Å; F310-D312 HydrophobicContact CE2-CB 3.85Å; F310-D312 PolarHBondContact O-N 2.97Å; D312-W314 VanDerWaalsContact C-N 3.31Å; D312-W314 PolarHBondContact O-N 2.93Å; D312-H315 PolarHBondContact O-N 2.97Å; D312-H315 VanDerWaalsContact O-N 3.12Å; D312-M316 HydrophobicContact CB-CE 4.44Å; D312-M316 WeakPolarHBondContact O-CG 3.38Å; D312-M316 PolarHBondContact O-N 2.79Å
313	G	96.4	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-35.8	176.6	0	0	0	0	0	113.7	F305 F310 E311 H315 M316 W317	F305-G313 WeakPolarHBondContact CZ-O 3.36Å; F310-G313 VanDerWaalsContact CZ-N 3.3Å; F310-G313 PolarHBondContact O-N 3.23Å; E311-G313 PolarHBondContact O-N 3.44Å; G313-H315 VanDerWaalsContact C-N 3.32Å; G313-H315 PolarHBondContact O-N 3.01Å; G313-M316 PolarHBondContact O-N 2.86Å; G313-W317 VanDerWaalsContact O-CB 3.3Å; G313-W317 WeakPolarHBondContact O-CB 3.44Å; G313-W317 PolarHBondContact O-N 3.11Å
314	W	97	Very high	96.6	Very high	43 Å²	43	39.1 Å²	39.1	16%	0.163	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-44.1	174.2	167.8	-104.8	0	0	0	111	F301 K302 F305 E311 D312 W317 E318	F301-W314 HydrophobicContact CB-CE3 4.43Å; F301-W314 HydrophobicContact CB-CZ3 4.2Å; K302-W314 HydrophobicContact CB-CD2 3.8Å; K302-W314 HydrophobicContact CB-CE3 3.6Å; K302-W314 HydrophobicContact CB-CH2 3.79Å; K302-W314 HydrophobicContact CB-CZ2 4.02Å; K302-W314 HydrophobicContact CB-CZ3 3.58Å; K302-W314 HydrophobicContact CD-CD2 4.42Å; K302-W314 HydrophobicContact CD-CH2 4.46Å; K302-W314 HydrophobicContact CD-CZ2 3.94Å; K302-W314 HydrophobicContact CG-CD2 3.81Å; K302-W314 HydrophobicContact CG-CE3 4.16Å; K302-W314 HydrophobicContact CG-CG 4.23Å; K302-W314 HydrophobicContact CG-CH2 4.43Å; K302-W314 HydrophobicContact CG-CZ2 4.15Å; K302-W314 HydrophobicContact CG-CZ3 4.44Å; F305-W314 HydrophobicContact CB-CB 3.88Å; F305-W314 VanDerWaalsContact CD2-CA 3.41Å; F305-W314 HydrophobicContact CD2-CB 3.73Å; F305-W314 HydrophobicContact CD2-CE3 4.19Å; F305-W314 HydrophobicContact CG-CB 3.98Å; E311-W314 WeakPolarHBondContact O-CB 3.04Å; E311-W314 PolarHBondContact O-N 3.46Å; E311-W314 VanDerWaalsContact O-N 3.15Å; D312-W314 VanDerWaalsContact C-N 3.31Å; D312-W314 PolarHBondContact O-N 2.93Å; W314-W317 AromaticContact CE3-CE3 3.72Å; W314-W317 HydrophobicContact CE3-CE3 3.72Å; W314-W317 HydrophobicContact CE3-CZ3 4.07Å; W314-W317 AromaticContact CH2-CE3 3.92Å; W314-W317 HydrophobicContact CH2-CE3 3.92Å; W314-W317 HydrophobicContact CH2-CH2 4.49Å; W314-W317 AromaticContact CH2-CZ3 3.45Å; W314-W317 HydrophobicContact CH2-CZ3 3.45Å; W314-W317 VanDerWaalsContact CH2-CZ3 3.45Å; W314-W317 HydrophobicContact CZ2-CZ3 4.42Å; W314-W317 HydrophobicContact CZ3-CD2 4.45Å; W314-W317 AromaticContact CZ3-CE3 3.35Å; W314-W317 HydrophobicContact CZ3-CE3 3.35Å; W314-W317 HydrophobicContact CZ3-CH2 4.22Å; W314-W317 AromaticContact CZ3-CZ3 3.21Å; W314-W317 HydrophobicContact CZ3-CZ3 3.21Å; W314-W317 PolarHBondContact O-N 3.38Å; W314-E318 HydrophobicContact CD2-CG 4.24Å; W314-E318 VanDerWaalsContact CE2-CD 3.41Å; W314-E318 HydrophobicContact CH2-CG 4.39Å; W314-E318 HydrophobicContact CZ2-CG 3.77Å; W314-E318 VanDerWaalsContact CZ2-OE1 3.31Å; W314-E318 WeakPolarHBondContact CZ2-OE1 2.9Å; W314-E318 PolarHBondContact NE1-OE1 3.25Å; W314-E318 VanDerWaalsContact NE1-OE1 3.12Å; W314-E318 PolarHBondContact NE1-OE2 2.65Å; W314-E318 WeakPolarHBondContact O-CG 3.04Å; W314-E318 PolarHBondContact O-N 2.92Å
315	H	97.5	Very high	96.3	Very high	42 Å²	42	39.4 Å²	39.4	19%	0.194	21%	0.209	C	C	.	.	H	α-helix	trans	-70.5	-41	179.7	-69.9	-41.1	0	0	0	112.7	Y106 R111 D312 G313 W317 E318 D319	Y106-H315 HydrophobicContact CE1-CB 3.76Å; R111-H315 PolarHBondContact NH1-ND1 2.99Å; R111-H315 PolarHBondContact NH2-O 3.2Å; D312-H315 PolarHBondContact O-N 2.97Å; D312-H315 VanDerWaalsContact O-N 3.12Å; G313-H315 VanDerWaalsContact C-N 3.32Å; G313-H315 PolarHBondContact O-N 3.01Å; H315-W317 VanDerWaalsContact C-N 3.31Å; H315-W317 PolarHBondContact O-N 2.77Å; H315-E318 IonicContact CE1-OE2 3.59Å; H315-E318 IonicContact ND1-OE2 3.05Å; H315-E318 PolarHBondContact ND1-OE2 2.69Å; H315-E318 PolarHBondContact O-N 2.67Å; H315-D319 VanDerWaalsContact O-CG 3.22Å; H315-D319 PolarHBondContact O-N 2.95Å
316	M	97.4	Very high	96	Very high	2 Å²	2	42 Å²	42	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-43.3	170.9	-67.4	170.7	177.3	0	0	111.5	Y106 T270 P273 F310 D312 G313 D319 T320	Y106-M316 HydrophobicContact CD1-CE 4.4Å; Y106-M316 HydrophobicContact CD1-CG 4.36Å; Y106-M316 HydrophobicContact CD2-CE 4.12Å; Y106-M316 HydrophobicContact CD2-CG 3.81Å; Y106-M316 HydrophobicContact CE1-CG 4.49Å; Y106-M316 HydrophobicContact CE2-CG 3.96Å; Y106-M316 HydrophobicContact CG-CE 3.71Å; Y106-M316 HydrophobicContact CG-CG 4.02Å; T270-M316 HydrophobicContact CG2-CE 4.21Å; T270-M316 HydrophobicContact CG2-CG 4.04Å; T270-M316 HydrophobicContact CG2-SD 4.06Å; P273-M316 HydrophobicContact CB-CB 4.11Å; P273-M316 HydrophobicContact CG-CB 4.02Å; P273-M316 HydrophobicContact CG-SD 4.16Å; F310-M316 HydrophobicContact CZ-CE 4.43Å; F310-M316 HydrophobicContact CZ-SD 3.96Å; D312-M316 HydrophobicContact CB-CE 4.44Å; D312-M316 WeakPolarHBondContact O-CG 3.38Å; D312-M316 PolarHBondContact O-N 2.79Å; G313-M316 PolarHBondContact O-N 2.86Å; M316-D319 PolarHBondContact O-N 2.74Å; M316-T320 WeakPolarHBondContact O-CB 3.49Å; M316-T320 WeakPolarHBondContact O-CG2 3.48Å; M316-T320 PolarHBondContact O-N 3.38Å; M316-T320 PolarHBondContact O-OG1 3.21Å
317	W	96.6	Very high	95.8	Very high	10 Å²	10	39 Å²	39	4%	0.038	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-47.1	175.8	179	79.4	0	0	0	111.4	P273 L276 F301 F305 G313 W314 H315 D319 T320 K321	P273-W317 HydrophobicContact CB-CB 4.07Å; P273-W317 VanDerWaalsContact O-CD1 3.29Å; L276-W317 HydrophobicContact CD1-CG 4.46Å; F301-W317 HydrophobicContact CD2-CD2 4.31Å; F301-W317 AromaticContact CD2-CE2 3.65Å; F301-W317 HydrophobicContact CD2-CH2 4.34Å; F301-W317 AromaticContact CD2-CZ2 3.67Å; F301-W317 HydrophobicContact CD2-CZ2 3.67Å; F301-W317 AromaticContact CD2-NE1 3.79Å; F301-W317 HydrophobicContact CE2-CZ2 4.18Å; F301-W317 AromaticContact CE2-NE1 3.94Å; F305-W317 HydrophobicContact CE2-CB 4.04Å; F305-W317 HydrophobicContact CE2-CG 4.47Å; F305-W317 HydrophobicContact CZ-CB 4.38Å; G313-W317 VanDerWaalsContact O-CB 3.3Å; G313-W317 WeakPolarHBondContact O-CB 3.44Å; G313-W317 PolarHBondContact O-N 3.11Å; W314-W317 AromaticContact CE3-CE3 3.72Å; W314-W317 HydrophobicContact CE3-CE3 3.72Å; W314-W317 HydrophobicContact CE3-CZ3 4.07Å; W314-W317 AromaticContact CH2-CE3 3.92Å; W314-W317 HydrophobicContact CH2-CE3 3.92Å; W314-W317 HydrophobicContact CH2-CH2 4.49Å; W314-W317 AromaticContact CH2-CZ3 3.45Å; W314-W317 HydrophobicContact CH2-CZ3 3.45Å; W314-W317 VanDerWaalsContact CH2-CZ3 3.45Å; W314-W317 HydrophobicContact CZ2-CZ3 4.42Å; W314-W317 HydrophobicContact CZ3-CD2 4.45Å; W314-W317 AromaticContact CZ3-CE3 3.35Å; W314-W317 HydrophobicContact CZ3-CE3 3.35Å; W314-W317 HydrophobicContact CZ3-CH2 4.22Å; W314-W317 AromaticContact CZ3-CZ3 3.21Å; W314-W317 HydrophobicContact CZ3-CZ3 3.21Å; W314-W317 PolarHBondContact O-N 3.38Å; H315-W317 VanDerWaalsContact C-N 3.31Å; H315-W317 PolarHBondContact O-N 2.77Å; W317-D319 VanDerWaalsContact C-N 3.26Å; W317-D319 PolarHBondContact O-N 3.22Å; W317-T320 PolarHBondContact O-N 2.95Å; W317-T320 VanDerWaalsContact O-N 3.1Å; W317-T320 PolarHBondContact O-OG1 2.87Å; W317-K321 HydrophobicContact CD2-CB 4.17Å; W317-K321 HydrophobicContact CD2-CD 4.19Å; W317-K321 HydrophobicContact CE3-CD 3.95Å; W317-K321 HydrophobicContact CH2-CD 3.44Å; W317-K321 VanDerWaalsContact CH2-CD 3.44Å; W317-K321 HydrophobicContact CZ2-CB 4.09Å; W317-K321 HydrophobicContact CZ2-CD 3.67Å; W317-K321 HydrophobicContact CZ3-CD 3.57Å; W317-K321 VanDerWaalsContact O-CB 3.23Å; W317-K321 WeakPolarHBondContact O-CB 3.47Å; W317-K321 PolarHBondContact O-N 2.98Å
318	E	96.6	Very high	95.8	Very high	75 Å²	75	41.7 Å²	41.7	35%	0.35	22%	0.222	S	C	.	.	H	α-helix	trans	-55.5	-40.5	175.6	-78.3	179.7	133	0	0	112.6	R111 W314 H315 T320	R111-E318 IonicContact NH2-OE2 3.16Å; R111-E318 PolarHBondContact NH2-OE2 3.13Å; W314-E318 HydrophobicContact CD2-CG 4.24Å; W314-E318 VanDerWaalsContact CE2-CD 3.41Å; W314-E318 HydrophobicContact CH2-CG 4.39Å; W314-E318 HydrophobicContact CZ2-CG 3.77Å; W314-E318 VanDerWaalsContact CZ2-OE1 3.31Å; W314-E318 WeakPolarHBondContact CZ2-OE1 2.9Å; W314-E318 PolarHBondContact NE1-OE1 3.25Å; W314-E318 VanDerWaalsContact NE1-OE1 3.12Å; W314-E318 PolarHBondContact NE1-OE2 2.65Å; W314-E318 WeakPolarHBondContact O-CG 3.04Å; W314-E318 PolarHBondContact O-N 2.92Å; H315-E318 IonicContact CE1-OE2 3.59Å; H315-E318 IonicContact ND1-OE2 3.05Å; H315-E318 PolarHBondContact ND1-OE2 2.69Å; H315-E318 PolarHBondContact O-N 2.67Å; E318-T320 VanDerWaalsContact C-N 3.28Å; E318-T320 PolarHBondContact O-N 2.68Å
319	D	97	Very high	95.9	Very high	45 Å²	45	43.6 Å²	43.6	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-71.8	-22.2	-179	-67.6	-19.9	0	0	0	113.3	Y106 R111 H315 M316 W317	Y106-D319 PolarHBondContact OH-OD2 3.43Å; R111-D319 IonicContact CZ-OD1 2.75Å; R111-D319 IonicContact CZ-OD2 2.73Å; R111-D319 VanDerWaalsContact NE-CG 3.32Å; R111-D319 IonicContact NE-OD1 3.34Å; R111-D319 PolarHBondContact NE-OD1 3.48Å; R111-D319 IonicContact NE-OD2 3.85Å; R111-D319 PolarHBondContact NE-OD2 2.82Å; R111-D319 IonicContact NH2-OD1 3.55Å; R111-D319 PolarHBondContact NH2-OD1 3.15Å; R111-D319 IonicContact NH2-OD2 2.8Å; H315-D319 VanDerWaalsContact O-CG 3.22Å; H315-D319 PolarHBondContact O-N 2.95Å; M316-D319 PolarHBondContact O-N 2.74Å; W317-D319 VanDerWaalsContact C-N 3.26Å; W317-D319 PolarHBondContact O-N 3.22Å
320	T	96.8	Very high	95.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-118.8	-19.9	-168.1	57.9	0	0	0	0	114.3	A172 W274 M316 W317 E318 N322 L323	A172-T320 HydrophobicContact CB-CG2 3.53Å; W274-T320 WeakPolarHBondContact CA-OG1 3.22Å; W274-T320 HydrophobicContact CB-CG2 4.33Å; M316-T320 WeakPolarHBondContact O-CB 3.49Å; M316-T320 WeakPolarHBondContact O-CG2 3.48Å; M316-T320 PolarHBondContact O-N 3.38Å; M316-T320 PolarHBondContact O-OG1 3.21Å; W317-T320 PolarHBondContact O-N 2.95Å; W317-T320 VanDerWaalsContact O-N 3.1Å; W317-T320 PolarHBondContact O-OG1 2.87Å; E318-T320 VanDerWaalsContact C-N 3.28Å; E318-T320 PolarHBondContact O-N 2.68Å; T320-N322 PolarHBondContact O-N 3.29Å; T320-L323 HydrophobicContact CG2-CD1 4.09Å; T320-L323 VanDerWaalsContact O-CG 3.26Å; T320-L323 WeakPolarHBondContact O-CG 3.31Å; T320-L323 PolarHBondContact O-N 3.27Å; T320-L323 VanDerWaalsContact O-N 3.1Å
321	K	94.6	Very high	96	Very high	53 Å²	53	38.6 Å²	38.6	23%	0.23	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.7	-172.4	65.4	173.2	-166.2	158.4	0	114.9	E279 W317 S325	E279-K321 IonicContact OE1-NZ 2.92Å; E279-K321 PolarHBondContact OE1-NZ 3.18Å; W317-K321 HydrophobicContact CD2-CB 4.17Å; W317-K321 HydrophobicContact CD2-CD 4.19Å; W317-K321 HydrophobicContact CE3-CD 3.95Å; W317-K321 HydrophobicContact CH2-CD 3.44Å; W317-K321 VanDerWaalsContact CH2-CD 3.44Å; W317-K321 HydrophobicContact CZ2-CB 4.09Å; W317-K321 HydrophobicContact CZ2-CD 3.67Å; W317-K321 HydrophobicContact CZ3-CD 3.57Å; W317-K321 VanDerWaalsContact O-CB 3.23Å; W317-K321 WeakPolarHBondContact O-CB 3.47Å; W317-K321 PolarHBondContact O-N 2.98Å; K321-S325 WeakPolarHBondContact O-CB 3.3Å; K321-S325 PolarHBondContact O-OG 3.44Å
322	N	94.5	Very high	96.2	Very high	103 Å²	103	34.4 Å²	34.4	55%	0.551	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	5.9	-175.2	-70.8	-15	0	0	0	114.5	T320 T324 S325	T320-N322 PolarHBondContact O-N 3.29Å; N322-T324 PolarHBondContact O-N 3.43Å; N322-S325 WeakPolarHBondContact CA-OG 3.4Å
323	L	95.9	Very high	96.2	Very high	34 Å²	34	33.6 Å²	33.6	18%	0.178	18%	0.18	C	C	.	.	S	Bend	trans	-67.1	-36.9	-176.8	-63.2	174.3	0	0	0	112.3	A172 P173 N174 Y212 T320	A172-L323 HydrophobicContact CB-CD1 4.15Å; P173-L323 HydrophobicContact CB-CD1 4.27Å; P173-L323 HydrophobicContact CG-CD1 4.32Å; N174-L323 HydrophobicContact CB-CD1 4.23Å; N174-L323 HydrophobicContact CB-CD2 3.98Å; Y212-L323 HydrophobicContact CD2-CB 4.07Å; Y212-L323 HydrophobicContact CE2-CB 4.13Å; Y212-L323 HydrophobicContact CE2-CD2 3.77Å; Y212-L323 HydrophobicContact CE2-CG 4.46Å; T320-L323 HydrophobicContact CG2-CD1 4.09Å; T320-L323 VanDerWaalsContact O-CG 3.26Å; T320-L323 WeakPolarHBondContact O-CG 3.31Å; T320-L323 PolarHBondContact O-N 3.27Å; T320-L323 VanDerWaalsContact O-N 3.1Å
324	T	95.4	Very high	96.4	Very high	8 Å²	8	33.6 Å²	33.6	5%	0.049	18%	0.18	C	C	.	.	S	Bend	trans	-139.7	-1.8	-178.7	51.2	0	0	0	0	114.4	H208 L211 Y212 W274 N322 A326 L327	H208-T324 HydrophobicContact CB-CG2 4.43Å; H208-T324 PolarHBondContact CE1-OG1 2.91Å; H208-T324 VanDerWaalsContact ND1-CB 3.35Å; H208-T324 WeakPolarHBondContact ND1-CB 3.45Å; H208-T324 PolarHBondContact ND1-OG1 3.2Å; L211-T324 HydrophobicContact CD2-CG2 4.37Å; Y212-T324 HydrophobicContact CD2-CG2 4.48Å; W274-T324 HydrophobicContact CZ2-CG2 4.09Å; N322-T324 PolarHBondContact O-N 3.43Å; T324-A326 VanDerWaalsContact C-N 3.32Å; T324-A326 PolarHBondContact O-N 2.85Å; T324-L327 WeakPolarHBondContact O-CD2 3.41Å; T324-L327 PolarHBondContact O-N 2.97Å
325	S	91.3	Very high	96.4	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.07	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.6	-175.3	54.6	0	0	0	0	114.8	S278 K321 N322 L327	S278-S325 VanDerWaalsContact OG-CB 3.24Å; S278-S325 WeakPolarHBondContact OG-CB 3.41Å; K321-S325 WeakPolarHBondContact O-CB 3.3Å; K321-S325 PolarHBondContact O-OG 3.44Å; N322-S325 WeakPolarHBondContact CA-OG 3.4Å; S325-L327 PolarHBondContact O-N 2.99Å; S325-L327 VanDerWaalsContact O-N 3.16Å
326	A	91.6	Very high	96.5	Very high	54 Å²	54	29.9 Å²	29.9	45%	0.446	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.4	177.3	0	0	0	0	0	113	T324 H328	T324-A326 VanDerWaalsContact C-N 3.32Å; T324-A326 PolarHBondContact O-N 2.85Å; A326-H328 VanDerWaalsContact C-N 3.25Å; A326-H328 PolarHBondContact O-N 2.83Å
327	L	94.7	Very high	96.5	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.058	17%	0.165	C	C	.	.			trans	46.4	48.2	179.9	-65.3	174.9	0	0	0	112.5	L211 W236 V281 T324 S325 L378 W382	L211-L327 HydrophobicContact CD2-CD2 3.92Å; W236-L327 HydrophobicContact CB-CD1 4.02Å; W236-L327 HydrophobicContact CB-CD2 3.78Å; W236-L327 HydrophobicContact CD2-CD2 4.3Å; W236-L327 HydrophobicContact CE3-CD2 3.97Å; W236-L327 HydrophobicContact CG-CD2 4.27Å; V281-L327 HydrophobicContact CG1-CD1 4.33Å; T324-L327 WeakPolarHBondContact O-CD2 3.41Å; T324-L327 PolarHBondContact O-N 2.97Å; S325-L327 PolarHBondContact O-N 2.99Å; S325-L327 VanDerWaalsContact O-N 3.16Å; L327-L378 HydrophobicContact CD1-CB 3.67Å; L327-L378 HydrophobicContact CD1-CD1 3.81Å; L327-L378 HydrophobicContact CD1-CG 4.29Å; L327-W382 HydrophobicContact CD2-CZ2 4.28Å; L327-W382 PolarHBondContact O-NE1 2.95Å
328	H	96.6	Very high	96.6	Very high	120 Å²	120	29.4 Å²	29.4	56%	0.556	16%	0.163	S	C	*	.			trans	-57.1	132.9	172.9	-61.7	145.6	0	0	0	109.8	L211 N215 A326	L211-H328 WeakPolarHBondContact CD1-O 3.38Å; N215-H328 PolarHBondContact ND2-O 2.69Å; N215-H328 PolarHBondContact OD1-O 3.13Å; A326-H328 VanDerWaalsContact C-N 3.25Å; A326-H328 PolarHBondContact O-N 2.83Å
329	P	98	Very high	96.7	Very high	43 Å²	43	25.9 Å²	25.9	28%	0.279	15%	0.146	S	C	.	.			trans	-58.5	135.5	179.5	-20.5	28.9	0	0	0	111.2	G331 W382 Q385 Q386	P329-G331 PolarHBondContact O-N 3.43Å; P329-G331 VanDerWaalsContact O-N 3.14Å; P329-W382 HydrophobicContact CB-CB 4.42Å; P329-W382 HydrophobicContact CB-CG 4.21Å; P329-W382 HydrophobicContact CG-CG 4.46Å; P329-Q385 HydrophobicContact CG-CB 3.69Å; P329-Q386 HydrophobicContact CB-CB 3.98Å; P329-Q386 HydrophobicContact CB-CG 4.05Å; P329-Q386 VanDerWaalsContact CB-OE1 3.31Å
330	P	98.3	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.			trans	-68.4	-16	-175.3	27.8	-36	0	0	0	113.2	L211 L214 K222 F229 V332 V334	L211-P330 HydrophobicContact CD1-CB 4.06Å; L211-P330 HydrophobicContact CD1-CG 4.44Å; L214-P330 HydrophobicContact CB-CB 4.06Å; L214-P330 HydrophobicContact CD1-CB 3.83Å; K222-P330 WeakPolarHBondContact CD-O 3.41Å; K222-P330 WeakPolarHBondContact CE-O 3.05Å; K222-P330 PolarHBondContact NZ-O 2.97Å; F229-P330 HydrophobicContact CD1-CG 4.45Å; P330-V332 VanDerWaalsContact C-N 3.27Å; P330-V332 HydrophobicContact CB-CG2 4.19Å; P330-V332 HydrophobicContact CG-CG2 4.37Å; P330-V332 PolarHBondContact O-N 3.47Å; P330-V334 HydrophobicContact CG-CG2 3.49Å; P330-V334 VanDerWaalsContact CG-CG2 3.49Å
331	G	98.3	Very high	96.8	Very high	21 Å²	21	25.3 Å²	25.3	22%	0.216	15%	0.151	C	C	.	.	S	Bend	trans	74	17	177	0	0	0	0	0	114.2	P329	P329-G331 PolarHBondContact O-N 3.43Å; P329-G331 VanDerWaalsContact O-N 3.14Å
332	V	98.6	Very high	96.9	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.03	15%	0.15	C	C	.	.	S	Bend	trans	-124.2	166.5	173.1	-59.8	0	0	0	0	109	L214 K222 I226 F229 P330 V334 Q386 K388	L214-V332 HydrophobicContact CD1-CG2 3.86Å; L214-V332 HydrophobicContact CD2-CG1 4.5Å; K222-V332 HydrophobicContact CB-CG1 3.91Å; K222-V332 HydrophobicContact CD-CG1 4.17Å; K222-V332 HydrophobicContact CG-CG1 4.4Å; I226-V332 HydrophobicContact CB-CG1 4Å; I226-V332 HydrophobicContact CG2-CB 4.1Å; I226-V332 HydrophobicContact CG2-CG1 3.77Å; I226-V332 HydrophobicContact CG2-CG2 4.25Å; F229-V332 HydrophobicContact CB-CG2 3.89Å; P330-V332 VanDerWaalsContact C-N 3.27Å; P330-V332 HydrophobicContact CB-CG2 4.19Å; P330-V332 HydrophobicContact CG-CG2 4.37Å; P330-V332 PolarHBondContact O-N 3.47Å; V332-V334 WeakPolarHBondContact O-CG2 3.4Å; V332-V334 PolarHBondContact O-N 3.02Å; V332-Q386 PolarHBondContact O-NE2 2.79Å; V332-K388 VanDerWaalsContact C-CB 3.42Å
333	E	98.3	Very high	97	Very high	24 Å²	24	24.1 Å²	24.1	11%	0.112	15%	0.151	C	C	.	.			trans	-64.3	132.8	173.8	-172.7	167	-167.3	0	0	110.2	R227 G228 F229 W335 K388 P389 H391	R227-E333 IonicContact NH1-OE2 3.62Å; R227-E333 PolarHBondContact NH1-OE2 2.99Å; G228-E333 CarbonylContact C-O 3.58Å; G228-E333 WeakPolarHBondContact CA-O 3.48Å; F229-E333 PolarHBondContact N-O 3.1Å; E333-W335 HydrophobicContact CB-CH2 4.06Å; E333-W335 HydrophobicContact CB-CZ3 4.03Å; E333-W335 HydrophobicContact CG-CE3 4.41Å; E333-W335 HydrophobicContact CG-CH2 3.37Å; E333-W335 HydrophobicContact CG-CZ2 3.87Å; E333-W335 HydrophobicContact CG-CZ3 3.66Å; E333-W335 WeakPolarHBondContact OE1-CZ2 3.48Å; E333-K388 HydrophobicContact CB-CB 4.41Å; E333-P389 WeakPolarHBondContact CA-O 3.46Å; E333-P389 HydrophobicContact CG-CG 3.83Å; E333-P389 WeakPolarHBondContact OE1-CG 3.22Å; E333-H391 IonicContact OE1-CD2 3.86Å; E333-H391 IonicContact OE1-CE1 2.8Å; E333-H391 IonicContact OE1-NE2 2.86Å; E333-H391 PolarHBondContact OE1-NE2 3.42Å
334	V	98.6	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.2	-173.1	-178.4	0	0	0	0	111.1	F229 P330 V332 C336 W382 P389 V390 H391	F229-V334 HydrophobicContact CD1-CG1 4.35Å; F229-V334 HydrophobicContact CD1-CG2 4.41Å; F229-V334 CarbonylContact O-C 3.47Å; F229-V334 VanDerWaalsContact O-CA 3.31Å; F229-V334 WeakPolarHBondContact O-CA 3.48Å; P330-V334 HydrophobicContact CG-CG2 3.49Å; P330-V334 VanDerWaalsContact CG-CG2 3.49Å; V332-V334 WeakPolarHBondContact O-CG2 3.4Å; V332-V334 PolarHBondContact O-N 3.02Å; V334-C336 HydrophobicContact CG1-CB 4.44Å; V334-W382 HydrophobicContact CG1-CE3 4.26Å; V334-W382 HydrophobicContact CG1-CZ3 4.15Å; V334-W382 HydrophobicContact CG2-CE3 4.45Å; V334-P389 PolarHBondContact N-O 2.88Å; V334-V390 HydrophobicContact CB-CG1 4.27Å; V334-V390 HydrophobicContact CB-CG2 4.31Å; V334-V390 HydrophobicContact CG1-CG1 4.48Å; V334-V390 HydrophobicContact CG2-CG2 4.5Å; V334-H391 PolarHBondContact O-CD2 3.27Å; V334-H391 PolarHBondContact O-N 3.43Å
335	W	98.6	Very high	97.2	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	104.8	163.4	-66.3	-95.2	0	0	0	108.8	Y199 F229 I230 S231 E333 M337 H391 I416	Y199-W335 HydrophobicContact CD1-CZ3 4.29Å; Y199-W335 HydrophobicContact CE1-CE3 4.39Å; Y199-W335 AromaticContact CE1-CH2 3.77Å; Y199-W335 HydrophobicContact CE1-CH2 3.77Å; Y199-W335 AromaticContact CE1-CZ3 3.55Å; Y199-W335 HydrophobicContact CE1-CZ3 3.55Å; F229-W335 PolarHBondContact O-N 2.76Å; I230-W335 HydrophobicContact CG1-CB 4.45Å; I230-W335 HydrophobicContact CG1-CE3 4.24Å; S231-W335 PolarHBondContact N-O 3.03Å; E333-W335 HydrophobicContact CB-CH2 4.06Å; E333-W335 HydrophobicContact CB-CZ3 4.03Å; E333-W335 HydrophobicContact CG-CE3 4.41Å; E333-W335 HydrophobicContact CG-CH2 3.37Å; E333-W335 HydrophobicContact CG-CZ2 3.87Å; E333-W335 HydrophobicContact CG-CZ3 3.66Å; E333-W335 WeakPolarHBondContact OE1-CZ2 3.48Å; W335-M337 HydrophobicContact CB-SD 4.49Å; W335-H391 AromaticContact CD1-CD2 3.69Å; W335-H391 AromaticContact CD1-CG 3.87Å; W335-H391 AromaticContact CD2-CD2 3.99Å; W335-H391 AromaticContact CE2-CD2 3.48Å; W335-H391 VanDerWaalsContact CE2-CD2 3.48Å; W335-H391 AromaticContact CE2-NE2 3.99Å; W335-H391 HydrophobicContact CG-CB 4.24Å; W335-H391 AromaticContact CZ2-CD2 3.95Å; W335-H391 AromaticContact NE1-CD2 3.27Å; W335-H391 PolarHBondContact NE1-CD2 2.71Å; W335-H391 VanDerWaalsContact NE1-CD2 3.27Å; W335-H391 AromaticContact NE1-CG 3.73Å; W335-H391 AromaticContact NE1-NE2 3.89Å; W335-I416 HydrophobicContact CB-CD1 3.86Å; W335-I416 VanDerWaalsContact CD1-CD1 3.45Å; W335-I416 HydrophobicContact CD2-CD1 4.17Å; W335-I416 HydrophobicContact CD2-CG1 4.26Å; W335-I416 HydrophobicContact CD2-CG2 3.67Å; W335-I416 HydrophobicContact CE3-CG2 3.93Å; W335-I416 HydrophobicContact CG-CD1 3.54Å; W335-I416 HydrophobicContact CG-CG1 4.02Å; W335-I416 HydrophobicContact CG-CG2 4.23Å; W335-I416 HydrophobicContact CH2-CG2 4.07Å; W335-I416 HydrophobicContact CZ2-CG2 3.83Å; W335-I416 HydrophobicContact CZ3-CG2 4.14Å
336	C	98.4	Very high	97.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.4	178.4	-175	0	0	0	0	109.9	V334 C379 H391 V392 T393	V334-C336 HydrophobicContact CG1-CB 4.44Å; C336-C379 HydrophobicContact CB-CB 3.62Å; C336-C379 WeakPolarHBondContact CB-SG 3.47Å; C336-C379 WeakPolarHBondContact SG-CB 3.45Å; C336-C379 CovalentContact SG-SG 2.02Å; C336-C379 PolarHBondContact SG-SG 3.39Å; C336-H391 PolarHBondContact N-O 3.1Å; C336-V392 HydrophobicContact CB-CG2 4.38Å; C336-V392 WeakPolarHBondContact O-CA 3.47Å; C336-T393 PolarHBondContact O-N 2.85Å
337	M	98.6	Very high	97.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.5	-170.4	-66.2	166.1	76.4	0	0	108.7	I230 S231 L232 A233 W335 T393 Y395 V409 Q412 I413 I416	I230-M337 HydrophobicContact CG2-SD 3.84Å; S231-M337 WeakPolarHBondContact O-CB 3.28Å; S231-M337 PolarHBondContact O-N 2.77Å; L232-M337 CarbonylContact C-O 3.5Å; L232-M337 WeakPolarHBondContact CA-O 3.48Å; L232-M337 HydrophobicContact CD2-CB 3.8Å; L232-M337 HydrophobicContact CD2-CE 4.1Å; L232-M337 HydrophobicContact CD2-CG 4.38Å; L232-M337 HydrophobicContact CD2-SD 3.74Å; A233-M337 PolarHBondContact N-O 3.29Å; W335-M337 HydrophobicContact CB-SD 4.49Å; M337-T393 WeakPolarHBondContact CA-O 3.44Å; M337-Y395 HydrophobicContact CB-CE2 3.92Å; M337-Y395 HydrophobicContact CE-CE2 3.93Å; M337-Y395 WeakPolarHBondContact CE-OH 3.42Å; M337-Y395 HydrophobicContact CG-CE2 4.29Å; M337-V409 HydrophobicContact CE-CG1 3.79Å; M337-Q412 HydrophobicContact CE-CB 4.02Å; M337-Q412 HydrophobicContact CE-CG 3.89Å; M337-I413 HydrophobicContact CE-CG1 4.32Å; M337-I416 HydrophobicContact SD-CD1 4.14Å
338	Y	98.6	Very high	98	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	156.4	-177.3	57.2	-86.6	0	0	0	113.1	V340 M376 K380 V392 T393 E394 Y395	Y338-V340 HydrophobicContact CD2-CG1 3.81Å; Y338-V340 HydrophobicContact CE2-CG1 3.63Å; Y338-M376 HydrophobicContact CD1-CB 4.32Å; Y338-M376 HydrophobicContact CD2-CB 3.75Å; Y338-M376 HydrophobicContact CD2-CE 4.2Å; Y338-M376 HydrophobicContact CE2-CB 4.42Å; Y338-M376 HydrophobicContact CG-CB 3.69Å; Y338-M376 HydrophobicContact CG-SD 4.49Å; Y338-K380 WeakPolarHBondContact OH-CE 3.43Å; Y338-K380 PolarHBondContact OH-NZ 2.82Å; Y338-V392 HydrophobicContact CE1-CG1 3.7Å; Y338-T393 PolarHBondContact N-O 3.39Å; Y338-E394 HydrophobicContact CE1-CG 4.35Å; Y338-E394 HydrophobicContact CE2-CG 3.76Å; Y338-E394 WeakPolarHBondContact OH-CG 3.39Å; Y338-E394 PolarHBondContact OH-OE1 3.45Å; Y338-Y395 PolarHBondContact O-N 3.48Å
339	G	98.1	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	146.5	176.9	0	0	0	0	0	112.9	M376 Y395	G339-M376 WeakPolarHBondContact O-CE 3.38Å; G339-Y395 CarbonylContact C-O 3.52Å; G339-Y395 WeakPolarHBondContact CA-O 3.36Å
340	V	98.3	Very high	98.1	Very high	4 Å²	4	16 Å²	16	2%	0.024	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	168	174	-59	0	0	0	0	109.8	Y338 L342 G367 E394 Y395 R396 G397	Y338-V340 HydrophobicContact CD2-CG1 3.81Å; Y338-V340 HydrophobicContact CE2-CG1 3.63Å; V340-L342 VanDerWaalsContact C-N 3.33Å; V340-L342 PolarHBondContact O-N 3.44Å; V340-G367 CarbonylContact C-O 3.42Å; V340-G367 VanDerWaalsContact CA-O 3.3Å; V340-G367 WeakPolarHBondContact CA-O 3.48Å; V340-E394 HydrophobicContact CG1-CB 4.08Å; V340-E394 HydrophobicContact CG1-CG 4.06Å; V340-E394 HydrophobicContact CG2-CB 3.98Å; V340-Y395 PolarHBondContact N-O 2.71Å; V340-R396 HydrophobicContact CG2-CB 4.05Å; V340-R396 CarbonylContact O-C 3.59Å; V340-R396 VanDerWaalsContact O-CA 3.32Å; V340-R396 WeakPolarHBondContact O-CA 3.07Å; V340-G397 PolarHBondContact O-N 3.35Å
341	G	96.8	Very high	98.1	Very high	31 Å²	31	18 Å²	18	32%	0.32	11%	0.113	S	C	.	.	S	Bend	trans	82.4	2.8	172.4	0	0	0	0	0	115.4	D366 G367	G341-D366 WeakPolarHBondContact CA-OD1 3.24Å; G341-D366 PolarHBondContact N-OD1 2.85Å; G341-G367 PolarHBondContact N-O 2.77Å
342	L	97.2	Very high	98	Very high	43 Å²	43	25 Å²	25	23%	0.225	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.8	171.3	-61	179.7	0	0	0	110.3	V340 T344 G367 D369 A399	V340-L342 VanDerWaalsContact C-N 3.33Å; V340-L342 PolarHBondContact O-N 3.44Å; L342-T344 PolarHBondContact O-N 3.33Å; L342-G367 WeakPolarHBondContact CB-O 3.36Å; L342-G367 PolarHBondContact N-O 3.3Å; L342-G367 CarbonylContact O-C 3.59Å; L342-G367 PolarHBondContact O-N 2.68Å; L342-D369 HydrophobicContact CD1-CB 4.39Å; L342-A399 HydrophobicContact CD1-CB 4.09Å
343	P	97.8	Very high	97.9	Very high	88 Å²	88	30.6 Å²	30.6	57%	0.571	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	116.8	173.1	-18.6	31.5	0	0	0	110.8	Y364	P343-Y364 HydrophobicContact CB-CD1 3.77Å; P343-Y364 HydrophobicContact CB-CG 4.09Å
344	T	98.1	Very high	97.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.2	176.9	-59.5	0	0	0	0	110.5	L342 V346 Y364 A365 G367 D368 D369 V371	L342-T344 PolarHBondContact O-N 3.33Å; T344-V346 PolarHBondContact O-N 3.23Å; T344-Y364 CarbonylContact O-C 3.51Å; T344-Y364 WeakPolarHBondContact O-CA 3.33Å; T344-A365 PolarHBondContact N-O 2.95Å; T344-A365 PolarHBondContact O-N 3.29Å; T344-G367 VanDerWaalsContact OG1-CA 3.28Å; T344-G367 WeakPolarHBondContact OG1-CA 3.37Å; T344-D368 PolarHBondContact OG1-N 3.44Å; T344-D369 WeakPolarHBondContact OG1-CA 3.27Å; T344-D369 PolarHBondContact OG1-N 3.02Å; T344-V371 PolarHBondContact OG1-O 3.18Å
345	P	97.4	Very high	97.7	Very high	27 Å²	27	32 Å²	32	18%	0.175	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	126.5	176.4	-24.3	33.4	0	0	0	113.2	F362 Y364	P345-F362 HydrophobicContact CB-CB 4.46Å; P345-F362 HydrophobicContact CB-CD1 3.89Å; P345-F362 HydrophobicContact CG-CD1 4.15Å; P345-Y364 HydrophobicContact CG-CD1 4.1Å; P345-Y364 HydrophobicContact CG-CE1 3.74Å
346	V	97.6	Very high	97.5	Very high	10 Å²	10	36.5 Å²	36.5	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	-11.5	175	-66	0	0	0	0	113.6	H286 T344 V363 A365 D372	H286-V346 PolarHBondContact NE2-O 3.04Å; T344-V346 PolarHBondContact O-N 3.23Å; V346-V363 HydrophobicContact CG2-CB 4.5Å; V346-V363 HydrophobicContact CG2-CG1 4.27Å; V346-V363 WeakPolarHBondContact CG2-O 3.41Å; V346-V363 PolarHBondContact N-O 3.16Å; V346-A365 HydrophobicContact CB-CB 4.31Å; V346-A365 HydrophobicContact CG1-CB 3.51Å; V346-A365 HydrophobicContact CG2-CB 3.84Å; V346-D372 HydrophobicContact CG1-CB 3.92Å
347	T	98.3	Very high	97.3	Very high	14 Å²	14	36.7 Å²	36.7	9%	0.086	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	133	167.2	-49.7	0	0	0	0	109.5	V287 F288 I349 F362 V363	V287-T347 HydrophobicContact CG1-CG2 4.24Å; V287-T347 WeakPolarHBondContact O-CB 3.16Å; V287-T347 WeakPolarHBondContact O-CG2 3.29Å; V287-T347 PolarHBondContact O-OG1 3.28Å; F288-T347 CarbonylContact O-C 3.59Å; F288-T347 WeakPolarHBondContact O-CA 3.44Å; T347-I349 HydrophobicContact CG2-CG1 4.49Å; T347-F362 CarbonylContact O-C 3.55Å; T347-F362 VanDerWaalsContact O-CA 3.31Å; T347-F362 WeakPolarHBondContact O-CA 3.32Å; T347-V363 HydrophobicContact CG2-CG2 4.41Å; T347-V363 PolarHBondContact N-O 3.37Å; T347-V363 PolarHBondContact O-N 3.16Å
348	H	98.2	Very high	97.1	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.019	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.5	173.7	-62.2	91.1	0	0	0	109.5	V240 R244 F288 I289 S290 Y350 P359 F362	V240-H348 PolarHBondContact O-CE1 3.36Å; R244-H348 WeakPolarHBondContact CB-NE2 3.22Å; F288-H348 PolarHBondContact O-N 3.4Å; I289-H348 CarbonylContact C-O 3.45Å; I289-H348 WeakPolarHBondContact CA-O 3.29Å; S290-H348 PolarHBondContact N-O 2.95Å; H348-Y350 HydrophobicContact CB-CD2 4.29Å; H348-Y350 HydrophobicContact CB-CE2 3.69Å; H348-P359 HydrophobicContact CB-CB 4.4Å; H348-P359 HydrophobicContact CB-CG 4.3Å; H348-F362 AromaticContact CD2-CD1 3.49Å; H348-F362 VanDerWaalsContact CD2-CD1 3.49Å; H348-F362 WeakPolarHBondContact CD2-CD1 3.42Å; H348-F362 AromaticContact CD2-CE1 3.34Å; H348-F362 WeakPolarHBondContact CD2-CE1 3.38Å; H348-F362 AromaticContact NE2-CD1 3.99Å; H348-F362 AromaticContact NE2-CE1 3.85Å
349	I	98.6	Very high	96.9	Very high	48 Å²	48	41 Å²	41	25%	0.246	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.6	-179.4	-55.3	171.3	0	0	0	108.3	T347 P359 V360 D361 V363	T347-I349 HydrophobicContact CG2-CG1 4.49Å; I349-P359 CarbonylContact O-C 3.57Å; I349-P359 VanDerWaalsContact O-CA 3.28Å; I349-P359 WeakPolarHBondContact O-CA 3.35Å; I349-V360 HydrophobicContact CG2-CG2 4.33Å; I349-V360 WeakPolarHBondContact O-CG2 3.46Å; I349-V360 PolarHBondContact O-N 3.37Å; I349-D361 HydrophobicContact CB-CB 4.14Å; I349-D361 WeakPolarHBondContact CB-O 3.45Å; I349-D361 HydrophobicContact CD1-CB 4.1Å; I349-D361 PolarHBondContact N-O 3.23Å; I349-D361 PolarHBondContact O-N 3.12Å; I349-V363 HydrophobicContact CD1-CG2 4.17Å
350	Y	98.3	Very high	96.9	Very high	6 Å²	6	45.2 Å²	45.2	2%	0.024	25%	0.25	C	S	.	.			trans	-113.3	158.3	178.6	-68.8	-94.6	0	0	0	111.6	T247 S248 I289 S290 P292 H348 F354 G357 P359	T247-Y350 PolarHBondContact OG1-OH 3.3Å; S248-Y350 PolarHBondContact OG-OH 3.4Å; I289-Y350 HydrophobicContact CG2-CD2 3.84Å; I289-Y350 HydrophobicContact CG2-CE2 3.99Å; S290-Y350 PolarHBondContact O-N 3.28Å; P292-Y350 WeakPolarHBondContact CD-O 3.28Å; H348-Y350 HydrophobicContact CB-CD2 4.29Å; H348-Y350 HydrophobicContact CB-CE2 3.69Å; Y350-F354 HydrophobicContact CD1-CB 4.43Å; Y350-F354 AromaticContact CD1-CD2 3.91Å; Y350-F354 HydrophobicContact CD1-CD2 3.91Å; Y350-F354 AromaticContact CD2-CD2 3.71Å; Y350-F354 HydrophobicContact CD2-CD2 3.71Å; Y350-F354 HydrophobicContact CD2-CE2 4.17Å; Y350-F354 HydrophobicContact CE1-CD2 4.22Å; Y350-F354 HydrophobicContact CE2-CD2 4.01Å; Y350-F354 HydrophobicContact CE2-CE2 4.14Å; Y350-F354 HydrophobicContact CG-CB 4.26Å; Y350-F354 AromaticContact CG-CD2 3.63Å; Y350-F354 HydrophobicContact CG-CD2 3.63Å; Y350-F354 HydrophobicContact CG-CG 4.4Å; Y350-G357 WeakPolarHBondContact CD1-O 3.11Å; Y350-G357 WeakPolarHBondContact CE1-O 3.26Å; Y350-P359 HydrophobicContact CD1-CB 4.45Å; Y350-P359 HydrophobicContact CD1-CG 4.44Å; Y350-P359 HydrophobicContact CE1-CB 4.2Å; Y350-P359 VanDerWaalsContact CE1-CD 3.49Å; Y350-P359 HydrophobicContact CE1-CG 3.72Å; Y350-P359 VanDerWaalsContact CE1-N 3.3Å; Y350-P359 HydrophobicContact CE2-CB 4.4Å; Y350-P359 HydrophobicContact CE2-CG 4.06Å
351	N	97.5	Very high	96.9	Very high	41 Å²	41	49.3 Å²	49.3	22%	0.219	27%	0.272	C	S	.	.			trans	-94.8	-158.9	169.3	64.5	3.2	0	0	0	110.8	P292 E353 F354 V360	P292-N351 WeakPolarHBondContact CD-O 3.37Å; N351-E353 PolarHBondContact O-N 3.32Å; N351-E353 VanDerWaalsContact OD1-CB 3.29Å; N351-E353 WeakPolarHBondContact OD1-CB 3.3Å; N351-E353 PolarHBondContact OD1-N 3.02Å; N351-F354 PolarHBondContact O-N 2.88Å; N351-V360 HydrophobicContact CB-CG1 3.97Å
352	E	96.8	Very high	96.9	Very high	168 Å²	168	49.9 Å²	49.9	79%	0.785	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.7	178.4	-57.2	91.8	166.4	0	0	114.6	P292 F354	P292-E352 HydrophobicContact CG-CG 4.38Å; E352-F354 VanDerWaalsContact C-N 3.26Å; E352-F354 PolarHBondContact O-N 3.14Å
353	E	95.6	Very high	97	Very high	123 Å²	123	51.2 Å²	51.2	58%	0.575	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.8	179.5	-57.8	-179.2	165.9	0	0	112.9	N351 D356 G357	N351-E353 PolarHBondContact O-N 3.32Å; N351-E353 VanDerWaalsContact OD1-CB 3.29Å; N351-E353 WeakPolarHBondContact OD1-CB 3.3Å; N351-E353 PolarHBondContact OD1-N 3.02Å; E353-D356 CarbonylContact O-C 3.55Å; E353-D356 PolarHBondContact O-N 3.26Å; E353-G357 PolarHBondContact O-N 3.22Å
354	F	96.7	Very high	97	Very high	35 Å²	35	52.8 Å²	52.8	15%	0.154	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	134.1	176.2	179.5	-95.9	0	0	0	112	T247 I289 T291 Y296 L304 I308 Y350 N351 E352	T247-F354 HydrophobicContact CG2-CE2 3.8Å; T247-F354 HydrophobicContact CG2-CZ 4.08Å; I289-F354 HydrophobicContact CG2-CD2 4.45Å; I289-F354 HydrophobicContact CG2-CE2 3.85Å; I289-F354 HydrophobicContact CG2-CZ 4.33Å; T291-F354 HydrophobicContact CG2-CB 4.09Å; T291-F354 HydrophobicContact CG2-CD1 3.86Å; T291-F354 HydrophobicContact CG2-CD2 3.91Å; T291-F354 HydrophobicContact CG2-CE1 4.25Å; T291-F354 HydrophobicContact CG2-CE2 4.3Å; T291-F354 HydrophobicContact CG2-CG 3.67Å; T291-F354 HydrophobicContact CG2-CZ 4.45Å; Y296-F354 HydrophobicContact CE2-CE1 4.15Å; Y296-F354 HydrophobicContact CE2-CZ 4.18Å; L304-F354 HydrophobicContact CD1-CZ 3.84Å; I308-F354 HydrophobicContact CG2-CE1 4.06Å; I308-F354 HydrophobicContact CG2-CZ 3.7Å; Y350-F354 HydrophobicContact CD1-CB 4.43Å; Y350-F354 AromaticContact CD1-CD2 3.91Å; Y350-F354 HydrophobicContact CD1-CD2 3.91Å; Y350-F354 AromaticContact CD2-CD2 3.71Å; Y350-F354 HydrophobicContact CD2-CD2 3.71Å; Y350-F354 HydrophobicContact CD2-CE2 4.17Å; Y350-F354 HydrophobicContact CE1-CD2 4.22Å; Y350-F354 HydrophobicContact CE2-CD2 4.01Å; Y350-F354 HydrophobicContact CE2-CE2 4.14Å; Y350-F354 HydrophobicContact CG-CB 4.26Å; Y350-F354 AromaticContact CG-CD2 3.63Å; Y350-F354 HydrophobicContact CG-CD2 3.63Å; Y350-F354 HydrophobicContact CG-CG 4.4Å; N351-F354 PolarHBondContact O-N 2.88Å; E352-F354 VanDerWaalsContact C-N 3.26Å; E352-F354 PolarHBondContact O-N 3.14Å
355	P	95.5	Very high	97	Very high	19 Å²	19	54.7 Å²	54.7	12%	0.123	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	cis	-97.1	9.8	3.2	40.3	-39.2	0	0	0	114.5	T247 S248 R263 I308	T247-P355 CarbonylContact C-O 3.56Å; T247-P355 VanDerWaalsContact O-O 3.08Å; S248-P355 WeakPolarHBondContact CA-O 3.33Å; R263-P355 PolarHBondContact NH1-O 3.03Å; I308-P355 HydrophobicContact CB-CB 4.24Å; I308-P355 HydrophobicContact CB-CG 4.19Å; I308-P355 HydrophobicContact CG2-CB 3.76Å; I308-P355 HydrophobicContact CG2-CG 4.13Å
356	D	95.4	Very high	97	Very high	99 Å²	99	56.6 Å²	56.6	53%	0.529	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-12.7	-170.5	-65.4	-32.7	0	0	0	114.3	I260 R263 E353	I260-D356 HydrophobicContact CD1-CB 4.16Å; I260-D356 VanDerWaalsContact CD1-O 3.3Å; I260-D356 WeakPolarHBondContact CD1-O 2.89Å; R263-D356 IonicContact CZ-OD1 2.87Å; R263-D356 IonicContact NH1-OD1 2.64Å; R263-D356 PolarHBondContact NH1-OD1 3.26Å; R263-D356 IonicContact NH2-OD1 3.76Å; R263-D356 PolarHBondContact NH2-OD1 3.08Å; E353-D356 CarbonylContact O-C 3.55Å; E353-D356 PolarHBondContact O-N 3.26Å
357	G	93.8	Very high	97	Very high	7 Å²	7	56.1 Å²	56.1	7%	0.072	29%	0.293	C	S	.	.	S	Bend	trans	-91	156.3	165	0	0	0	0	0	111.8	S248 Y350 E353	S248-G357 WeakPolarHBondContact CB-O 3.46Å; Y350-G357 WeakPolarHBondContact CD1-O 3.11Å; Y350-G357 WeakPolarHBondContact CE1-O 3.26Å; E353-G357 PolarHBondContact O-N 3.22Å
358	D	94	Very high	97	Very high	80 Å²	80	55.5 Å²	55.5	43%	0.428	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-69.3	156.6	172.9	-74.6	-33.1	0	0	0	111.2	N259 V360	N259-D358 PolarHBondContact ND2-OD1 3.48Å; N259-D358 PolarHBondContact ND2-OD2 2.99Å; D358-V360 PolarHBondContact O-N 2.91Å
359	P	95.8	Very high	96.9	Very high	14 Å²	14	58.7 Å²	58.7	9%	0.091	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-55.4	134.3	168.9	-15.1	23.9	0	0	0	110.5	R244 H348 I349 Y350 F362	R244-P359 HydrophobicContact CG-CG 4.41Å; H348-P359 HydrophobicContact CB-CB 4.4Å; H348-P359 HydrophobicContact CB-CG 4.3Å; I349-P359 CarbonylContact O-C 3.57Å; I349-P359 VanDerWaalsContact O-CA 3.28Å; I349-P359 WeakPolarHBondContact O-CA 3.35Å; Y350-P359 HydrophobicContact CD1-CB 4.45Å; Y350-P359 HydrophobicContact CD1-CG 4.44Å; Y350-P359 HydrophobicContact CE1-CB 4.2Å; Y350-P359 VanDerWaalsContact CE1-CD 3.49Å; Y350-P359 HydrophobicContact CE1-CG 3.72Å; Y350-P359 VanDerWaalsContact CE1-N 3.3Å; Y350-P359 HydrophobicContact CE2-CB 4.4Å; Y350-P359 HydrophobicContact CE2-CG 4.06Å; P359-F362 HydrophobicContact CB-CD1 4.49Å; P359-F362 HydrophobicContact CB-CE1 3.94Å; P359-F362 HydrophobicContact CB-CE2 4.27Å; P359-F362 HydrophobicContact CB-CZ 3.78Å; P359-F362 HydrophobicContact CG-CE1 3.88Å; P359-F362 HydrophobicContact CG-CZ 3.88Å
360	V	97.6	Very high	96.7	Very high	87 Å²	87	57.7 Å²	57.7	53%	0.527	30%	0.302	S	S	.	.	S	Bend	trans	-83.4	-21.4	177.4	-63.7	0	0	0	0	112.4	I349 N351 D358	I349-V360 HydrophobicContact CG2-CG2 4.33Å; I349-V360 WeakPolarHBondContact O-CG2 3.46Å; I349-V360 PolarHBondContact O-N 3.37Å; N351-V360 HydrophobicContact CB-CG1 3.97Å; D358-V360 PolarHBondContact O-N 2.91Å
361	D	97.6	Very high	96.7	Very high	91 Å²	91	57.5 Å²	57.5	49%	0.487	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	168.5	177.5	-161.6	8.6	0	0	0	111	I349	I349-D361 HydrophobicContact CB-CB 4.14Å; I349-D361 WeakPolarHBondContact CB-O 3.45Å; I349-D361 HydrophobicContact CD1-CB 4.1Å; I349-D361 PolarHBondContact N-O 3.23Å; I349-D361 PolarHBondContact O-N 3.12Å
362	F	97.6	Very high	96.7	Very high	42 Å²	42	55.7 Å²	55.7	18%	0.184	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.6	-179.4	-54.5	-101.5	0	0	0	111.1	P345 T347 H348 P359 Y364	P345-F362 HydrophobicContact CB-CB 4.46Å; P345-F362 HydrophobicContact CB-CD1 3.89Å; P345-F362 HydrophobicContact CG-CD1 4.15Å; T347-F362 CarbonylContact O-C 3.55Å; T347-F362 VanDerWaalsContact O-CA 3.31Å; T347-F362 WeakPolarHBondContact O-CA 3.32Å; H348-F362 AromaticContact CD2-CD1 3.49Å; H348-F362 VanDerWaalsContact CD2-CD1 3.49Å; H348-F362 WeakPolarHBondContact CD2-CD1 3.42Å; H348-F362 AromaticContact CD2-CE1 3.34Å; H348-F362 WeakPolarHBondContact CD2-CE1 3.38Å; H348-F362 AromaticContact NE2-CD1 3.99Å; H348-F362 AromaticContact NE2-CE1 3.85Å; P359-F362 HydrophobicContact CB-CD1 4.49Å; P359-F362 HydrophobicContact CB-CE1 3.94Å; P359-F362 HydrophobicContact CB-CE2 4.27Å; P359-F362 HydrophobicContact CB-CZ 3.78Å; P359-F362 HydrophobicContact CG-CE1 3.88Å; P359-F362 HydrophobicContact CG-CZ 3.88Å; F362-Y364 HydrophobicContact CB-CD2 4.28Å; F362-Y364 HydrophobicContact CB-CE1 4.31Å; F362-Y364 HydrophobicContact CB-CE2 3.65Å
363	V	98.1	Very high	96.8	Very high	71 Å²	71	49 Å²	49	43%	0.43	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.8	161.3	-175.5	0	0	0	0	107.9	V346 T347 I349	V346-V363 HydrophobicContact CG2-CB 4.5Å; V346-V363 HydrophobicContact CG2-CG1 4.27Å; V346-V363 WeakPolarHBondContact CG2-O 3.41Å; V346-V363 PolarHBondContact N-O 3.16Å; T347-V363 HydrophobicContact CG2-CG2 4.41Å; T347-V363 PolarHBondContact N-O 3.37Å; T347-V363 PolarHBondContact O-N 3.16Å; I349-V363 HydrophobicContact CD1-CG2 4.17Å
364	Y	98.1	Very high	96.8	Very high	121 Å²	121	47.2 Å²	47.2	48%	0.475	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	147.1	-178.6	-62.3	-92	0	0	0	111.6	P343 T344 P345 F362	P343-Y364 HydrophobicContact CB-CD1 3.77Å; P343-Y364 HydrophobicContact CB-CG 4.09Å; T344-Y364 CarbonylContact O-C 3.51Å; T344-Y364 WeakPolarHBondContact O-CA 3.33Å; P345-Y364 HydrophobicContact CG-CD1 4.1Å; P345-Y364 HydrophobicContact CG-CE1 3.74Å; F362-Y364 HydrophobicContact CB-CD2 4.28Å; F362-Y364 HydrophobicContact CB-CE1 4.31Å; F362-Y364 HydrophobicContact CB-CE2 3.65Å
365	A	98	Very high	96.9	Very high	41 Å²	41	45.6 Å²	45.6	34%	0.339	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	-179.9	165.4	0	0	0	0	0	110.3	T344 V346	T344-A365 PolarHBondContact N-O 2.95Å; T344-A365 PolarHBondContact O-N 3.29Å; V346-A365 HydrophobicContact CB-CB 4.31Å; V346-A365 HydrophobicContact CG1-CB 3.51Å; V346-A365 HydrophobicContact CG2-CB 3.84Å
366	D	98.4	Very high	97	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.364	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.2	172.3	-176.2	71	0	0	0	111.1	G341 D372 S373	G341-D366 WeakPolarHBondContact CA-OD1 3.24Å; G341-D366 PolarHBondContact N-OD1 2.85Å; D366-D372 CarbonylContact O-C 3.58Å; D366-D372 WeakPolarHBondContact O-CA 3.45Å; D366-S373 PolarHBondContact O-N 2.85Å; D366-S373 PolarHBondContact O-OG 2.7Å; D366-S373 WeakPolarHBondContact OD2-CB 3.33Å; D366-S373 PolarHBondContact OD2-OG 3.38Å
367	G	98.1	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-152.5	176.7	0	0	0	0	0	112.7	V340 G341 L342 T344 V371	V340-G367 CarbonylContact C-O 3.42Å; V340-G367 VanDerWaalsContact CA-O 3.3Å; V340-G367 WeakPolarHBondContact CA-O 3.48Å; G341-G367 PolarHBondContact N-O 2.77Å; L342-G367 WeakPolarHBondContact CB-O 3.36Å; L342-G367 PolarHBondContact N-O 3.3Å; L342-G367 CarbonylContact O-C 3.59Å; L342-G367 PolarHBondContact O-N 2.68Å; T344-G367 VanDerWaalsContact OG1-CA 3.28Å; T344-G367 WeakPolarHBondContact OG1-CA 3.37Å; G367-V371 WeakPolarHBondContact CA-O 3.41Å
368	D	97.4	Very high	97.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-111.8	21.6	-177.8	69.7	3.2	0	0	0	114.6	T344 T370 V371 M376 A399 H400	T344-D368 PolarHBondContact OG1-N 3.44Å; D368-T370 VanDerWaalsContact C-N 3.34Å; D368-T370 PolarHBondContact OD1-N 2.74Å; D368-T370 VanDerWaalsContact OD1-N 3.08Å; D368-V371 PolarHBondContact N-O 2.85Å; D368-V371 PolarHBondContact OD1-N 2.83Å; D368-V371 VanDerWaalsContact OD1-O 3.06Å; D368-M376 HydrophobicContact CB-CE 3.85Å; D368-A399 CarbonylContact O-C 3.21Å; D368-A399 VanDerWaalsContact O-CA 3.29Å; D368-A399 WeakPolarHBondContact O-CA 3.23Å; D368-H400 HydrophobicContact CB-CB 4.43Å; D368-H400 PolarHBondContact O-N 3.13Å; D368-H400 IonicContact OD1-CG 3.55Å; D368-H400 IonicContact OD1-ND1 2.7Å; D368-H400 IonicContact OD2-CE1 2.77Å; D368-H400 IonicContact OD2-CG 3.54Å; D368-H400 IonicContact OD2-ND1 2.68Å; D368-H400 PolarHBondContact OD2-ND1 3.36Å
369	D	95.6	Very high	97.5	Very high	72 Å²	72	36.6 Å²	36.6	39%	0.385	20%	0.199	S	C	.	.	S	Bend	trans	84.2	-21.6	-170.6	84.1	15.3	0	0	0	116.7	L342 T344 A399 H400	L342-D369 HydrophobicContact CD1-CB 4.39Å; T344-D369 WeakPolarHBondContact OG1-CA 3.27Å; T344-D369 PolarHBondContact OG1-N 3.02Å; D369-A399 VanDerWaalsContact OD2-CB 3.31Å; D369-A399 WeakPolarHBondContact OD2-CB 3.35Å; D369-H400 WeakPolarHBondContact OD1-CB 3.42Å
370	T	95.4	Very high	97.6	Very high	26 Å²	26	40.6 Å²	40.6	16%	0.16	22%	0.215	C	C	.	.	S	Bend	trans	-122.7	-44.6	-174.9	-66.8	0	0	0	0	111.5	K241 D368	K241-T370 HydrophobicContact CD-CG2 3.9Å; D368-T370 VanDerWaalsContact C-N 3.34Å; D368-T370 PolarHBondContact OD1-N 2.74Å; D368-T370 VanDerWaalsContact OD1-N 3.08Å
371	V	97.9	Very high	97.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.212	C	C	.	.	S	Bend	trans	-119.3	137.1	179.8	-168.2	0	0	0	0	108.3	P235 A239 T344 G367 D368 M376	P235-V371 HydrophobicContact CB-CG1 3.76Å; P235-V371 HydrophobicContact CB-CG2 3.97Å; A239-V371 HydrophobicContact CB-CG2 4.23Å; T344-V371 PolarHBondContact OG1-O 3.18Å; G367-V371 WeakPolarHBondContact CA-O 3.41Å; D368-V371 PolarHBondContact N-O 2.85Å; D368-V371 PolarHBondContact OD1-N 2.83Å; D368-V371 VanDerWaalsContact OD1-O 3.06Å; V371-M376 HydrophobicContact CB-CE 4.19Å; V371-M376 HydrophobicContact CB-CG 3.9Å; V371-M376 HydrophobicContact CB-SD 3.86Å; V371-M376 HydrophobicContact CG1-CG 3.48Å; V371-M376 VanDerWaalsContact CG1-CG 3.48Å; V371-M376 HydrophobicContact CG1-SD 4.14Å; V371-M376 VanDerWaalsContact O-CE 3.28Å; V371-M376 WeakPolarHBondContact O-CE 3.06Å
372	D	97.6	Very high	97.6	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-74.2	151.3	176.8	63.2	97	0	0	0	110.9	W282 V346 D366 F374 S375 M376	W282-D372 HydrophobicContact CH2-CB 4.5Å; W282-D372 VanDerWaalsContact CH2-CG 3.4Å; W282-D372 WeakPolarHBondContact CH2-OD1 3.38Å; W282-D372 VanDerWaalsContact CH2-OD2 3.28Å; W282-D372 WeakPolarHBondContact CH2-OD2 3.49Å; W282-D372 WeakPolarHBondContact CZ2-OD2 3.38Å; V346-D372 HydrophobicContact CG1-CB 3.92Å; D366-D372 CarbonylContact O-C 3.58Å; D366-D372 WeakPolarHBondContact O-CA 3.45Å; D372-F374 PolarHBondContact O-N 2.84Å; D372-F374 WeakPolarHBondContact OD1-CA 3.45Å; D372-F374 WeakPolarHBondContact OD1-CB 3.31Å; D372-F374 PolarHBondContact OD1-N 2.04Å; D372-S375 PolarHBondContact O-N 3.44Å; D372-S375 PolarHBondContact OD1-N 3.34Å; D372-M376 PolarHBondContact O-N 2.96Å; D372-M376 VanDerWaalsContact O-N 3.15Å
373	S	97.9	Very high	97.6	Very high	28 Å²	28	40.3 Å²	40.3	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-68.7	-20.1	-178.7	64.7	0	0	0	0	112.8	D366 G377	D366-S373 PolarHBondContact O-N 2.85Å; D366-S373 PolarHBondContact O-OG 2.7Å; D366-S373 WeakPolarHBondContact OD2-CB 3.33Å; D366-S373 PolarHBondContact OD2-OG 3.38Å; S373-G377 WeakPolarHBondContact O-CA 3.47Å; S373-G377 PolarHBondContact O-N 3.26Å
374	F	97.3	Very high	97.4	Very high	85 Å²	85	40.5 Å²	40.5	37%	0.373	22%	0.222	S	C	.	.	H	α-helix	trans	-64.1	-51.9	172.1	163.6	-94.2	0	0	0	110.5	V281 W282 D372 G377 L378	V281-F374 HydrophobicContact CB-CZ 4.46Å; V281-F374 HydrophobicContact CG2-CE1 4.39Å; V281-F374 VanDerWaalsContact O-CZ 3.26Å; V281-F374 WeakPolarHBondContact O-CZ 3.3Å; W282-F374 HydrophobicContact CD2-CD1 4.13Å; W282-F374 AromaticContact CD2-CE1 3.82Å; W282-F374 HydrophobicContact CD2-CE1 3.82Å; W282-F374 AromaticContact CE2-CD1 3.98Å; W282-F374 AromaticContact CE2-CE1 3.93Å; W282-F374 HydrophobicContact CE3-CD1 4.18Å; W282-F374 HydrophobicContact CE3-CE1 4.13Å; W282-F374 HydrophobicContact CG-CE1 4.16Å; W282-F374 AromaticContact CH2-CD1 3.98Å; W282-F374 HydrophobicContact CH2-CD1 3.98Å; W282-F374 AromaticContact CZ2-CD1 3.93Å; W282-F374 HydrophobicContact CZ2-CD1 3.93Å; W282-F374 HydrophobicContact CZ2-CE1 4.36Å; W282-F374 HydrophobicContact CZ3-CD1 4.11Å; D372-F374 PolarHBondContact O-N 2.84Å; D372-F374 WeakPolarHBondContact OD1-CA 3.45Å; D372-F374 WeakPolarHBondContact OD1-CB 3.31Å; D372-F374 PolarHBondContact OD1-N 2.04Å; F374-G377 PolarHBondContact O-N 3.05Å; F374-L378 HydrophobicContact CE2-CD2 4.44Å; F374-L378 HydrophobicContact CZ-CD2 4.3Å; F374-L378 WeakPolarHBondContact O-CG 2.74Å
375	S	97.8	Very high	97.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-50.7	176.5	-179.6	0	0	0	0	111.6	W236 G237 G238 D372 G377 L378	W236-S375 WeakPolarHBondContact CB-O 3.46Å; G237-S375 WeakPolarHBondContact CA-OG 3.43Å; G237-S375 PolarHBondContact N-OG 3.22Å; G238-S375 PolarHBondContact N-OG 2.96Å; G238-S375 WeakPolarHBondContact O-CB 3.37Å; G238-S375 PolarHBondContact O-OG 2.8Å; D372-S375 PolarHBondContact O-N 3.44Å; D372-S375 PolarHBondContact OD1-N 3.34Å; S375-G377 VanDerWaalsContact C-N 3.32Å; S375-G377 PolarHBondContact O-N 2.91Å; S375-L378 WeakPolarHBondContact O-CD1 3.4Å; S375-L378 WeakPolarHBondContact O-CG 3.05Å; S375-L378 PolarHBondContact O-N 2.9Å
376	M	98.3	Very high	97.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-30.4	-178.4	-62.1	-172.5	-73.3	0	0	113.6	A233 A234 Y338 G339 D368 V371 D372 L378	A233-M376 HydrophobicContact CB-SD 4.13Å; A234-M376 WeakPolarHBondContact O-CA 3.48Å; A234-M376 WeakPolarHBondContact O-CG 3.31Å; Y338-M376 HydrophobicContact CD1-CB 4.32Å; Y338-M376 HydrophobicContact CD2-CB 3.75Å; Y338-M376 HydrophobicContact CD2-CE 4.2Å; Y338-M376 HydrophobicContact CE2-CB 4.42Å; Y338-M376 HydrophobicContact CG-CB 3.69Å; Y338-M376 HydrophobicContact CG-SD 4.49Å; G339-M376 WeakPolarHBondContact O-CE 3.38Å; D368-M376 HydrophobicContact CB-CE 3.85Å; V371-M376 HydrophobicContact CB-CE 4.19Å; V371-M376 HydrophobicContact CB-CG 3.9Å; V371-M376 HydrophobicContact CB-SD 3.86Å; V371-M376 HydrophobicContact CG1-CG 3.48Å; V371-M376 VanDerWaalsContact CG1-CG 3.48Å; V371-M376 HydrophobicContact CG1-SD 4.14Å; V371-M376 VanDerWaalsContact O-CE 3.28Å; V371-M376 WeakPolarHBondContact O-CE 3.06Å; D372-M376 PolarHBondContact O-N 2.96Å; D372-M376 VanDerWaalsContact O-N 3.15Å; M376-L378 PolarHBondContact O-N 3.47Å
377	G	97.9	Very high	97.3	Very high	9 Å²	9	45.4 Å²	45.4	9%	0.093	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-72	-8.1	179.6	0	0	0	0	0	114.7	S373 F374 S375 C379 K380	S373-G377 WeakPolarHBondContact O-CA 3.47Å; S373-G377 PolarHBondContact O-N 3.26Å; F374-G377 PolarHBondContact O-N 3.05Å; S375-G377 VanDerWaalsContact C-N 3.32Å; S375-G377 PolarHBondContact O-N 2.91Å; G377-C379 PolarHBondContact O-N 2.76Å; G377-C379 VanDerWaalsContact O-N 3.14Å; G377-K380 VanDerWaalsContact O-CB 3.24Å; G377-K380 WeakPolarHBondContact O-CB 3.23Å; G377-K380 WeakPolarHBondContact O-CD 3.35Å; G377-K380 VanDerWaalsContact O-CG 3.27Å; G377-K380 WeakPolarHBondContact O-CG 3.33Å; G377-K380 PolarHBondContact O-N 2.95Å
378	L	98	Very high	97.2	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.037	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-64.2	-19.8	-175	-65.6	169.2	0	0	0	114.1	W236 V281 L327 F374 S375 M376 K380 R381	W236-L378 HydrophobicContact CB-CB 3.89Å; W236-L378 HydrophobicContact CB-CD1 4.09Å; W236-L378 HydrophobicContact CG-CB 4.46Å; V281-L378 HydrophobicContact CB-CD1 3.98Å; V281-L378 HydrophobicContact CB-CD2 4.36Å; V281-L378 HydrophobicContact CG1-CD1 4.03Å; V281-L378 HydrophobicContact CG2-CD1 3.81Å; L327-L378 HydrophobicContact CD1-CB 3.67Å; L327-L378 HydrophobicContact CD1-CD1 3.81Å; L327-L378 HydrophobicContact CD1-CG 4.29Å; F374-L378 HydrophobicContact CE2-CD2 4.44Å; F374-L378 HydrophobicContact CZ-CD2 4.3Å; F374-L378 WeakPolarHBondContact O-CG 2.74Å; S375-L378 WeakPolarHBondContact O-CD1 3.4Å; S375-L378 WeakPolarHBondContact O-CG 3.05Å; S375-L378 PolarHBondContact O-N 2.9Å; M376-L378 PolarHBondContact O-N 3.47Å; L378-K380 PolarHBondContact O-N 3.06Å; L378-K380 VanDerWaalsContact O-N 3.12Å; L378-R381 VanDerWaalsContact CD2-CZ 3.48Å; L378-R381 VanDerWaalsContact CD2-NE 3.33Å; L378-R381 WeakPolarHBondContact O-CB 3.42Å; L378-R381 VanDerWaalsContact O-CG 3.32Å; L378-R381 WeakPolarHBondContact O-CG 3.33Å; L378-R381 PolarHBondContact O-N 3.14Å
379	C	97.8	Very high	97.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-57.5	-22.9	170.2	57.8	0	0	0	0	113.1	C336 G377 R381 W382	C336-C379 HydrophobicContact CB-CB 3.62Å; C336-C379 WeakPolarHBondContact CB-SG 3.47Å; C336-C379 WeakPolarHBondContact SG-CB 3.45Å; C336-C379 CovalentContact SG-SG 2.02Å; C336-C379 PolarHBondContact SG-SG 3.39Å; G377-C379 PolarHBondContact O-N 2.76Å; G377-C379 VanDerWaalsContact O-N 3.14Å; C379-R381 PolarHBondContact O-N 3.18Å; C379-W382 HydrophobicContact CB-CD2 4.49Å; C379-W382 HydrophobicContact CB-CE3 3.79Å; C379-W382 HydrophobicContact CB-CH2 4.47Å; C379-W382 HydrophobicContact CB-CZ3 3.77Å; C379-W382 WeakPolarHBondContact O-CB 3.16Å; C379-W382 PolarHBondContact O-N 2.75Å
380	K	97.4	Very high	97.3	Very high	98 Å²	98	50.2 Å²	50.2	43%	0.426	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-57	-27.1	171.3	-70.5	168.2	174.5	160.7	0	112.3	Y338 G377 L378 W382 V383 V392 E394	Y338-K380 WeakPolarHBondContact OH-CE 3.43Å; Y338-K380 PolarHBondContact OH-NZ 2.82Å; G377-K380 VanDerWaalsContact O-CB 3.24Å; G377-K380 WeakPolarHBondContact O-CB 3.23Å; G377-K380 WeakPolarHBondContact O-CD 3.35Å; G377-K380 VanDerWaalsContact O-CG 3.27Å; G377-K380 WeakPolarHBondContact O-CG 3.33Å; G377-K380 PolarHBondContact O-N 2.95Å; L378-K380 PolarHBondContact O-N 3.06Å; L378-K380 VanDerWaalsContact O-N 3.12Å; K380-W382 PolarHBondContact O-N 2.58Å; K380-V383 WeakPolarHBondContact O-CB 3.38Å; K380-V383 WeakPolarHBondContact O-CG2 3.43Å; K380-V383 PolarHBondContact O-N 3.25Å; K380-V392 HydrophobicContact CG-CG1 4.26Å; K380-V392 HydrophobicContact CG-CG2 4.05Å; K380-E394 WeakPolarHBondContact CE-OE1 3.41Å; K380-E394 IonicContact NZ-OE1 3.22Å; K380-E394 PolarHBondContact NZ-OE1 3.47Å
381	R	96.5	Very high	97.4	Very high	121 Å²	121	50.7 Å²	50.7	46%	0.457	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-63.1	-24.6	176.2	-64.3	-178.9	178.4	-168.8	3.2	112.5	L378 C379 V383 Q385	L378-R381 VanDerWaalsContact CD2-CZ 3.48Å; L378-R381 VanDerWaalsContact CD2-NE 3.33Å; L378-R381 WeakPolarHBondContact O-CB 3.42Å; L378-R381 VanDerWaalsContact O-CG 3.32Å; L378-R381 WeakPolarHBondContact O-CG 3.33Å; L378-R381 PolarHBondContact O-N 3.14Å; C379-R381 PolarHBondContact O-N 3.18Å; R381-V383 VanDerWaalsContact C-N 3.27Å; R381-V383 PolarHBondContact O-N 2.95Å; R381-Q385 WeakPolarHBondContact O-CG 3.13Å
382	W	98.1	Very high	97.4	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.008	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-76.2	-14.7	179	-58.1	-29	0	0	0	113.3	L211 W236 L327 P329 V334 C379 K380 G384 Q385 V390	L211-W382 HydrophobicContact CD1-CH2 4.04Å; L211-W382 HydrophobicContact CD1-CZ2 3.88Å; L211-W382 HydrophobicContact CD2-CH2 4.2Å; L211-W382 HydrophobicContact CD2-CZ2 3.9Å; W236-W382 HydrophobicContact CD2-CH2 4.1Å; W236-W382 AromaticContact CE2-CH2 3.79Å; W236-W382 HydrophobicContact CE3-CH2 4.19Å; W236-W382 AromaticContact CH2-CH2 3.73Å; W236-W382 HydrophobicContact CH2-CH2 3.73Å; W236-W382 HydrophobicContact CH2-CZ3 4.39Å; W236-W382 AromaticContact CZ2-CH2 3.59Å; W236-W382 HydrophobicContact CZ2-CH2 3.59Å; W236-W382 AromaticContact CZ2-CZ3 3.93Å; W236-W382 HydrophobicContact CZ2-CZ3 3.93Å; W236-W382 HydrophobicContact CZ3-CH2 4.04Å; L327-W382 HydrophobicContact CD2-CZ2 4.28Å; L327-W382 PolarHBondContact O-NE1 2.95Å; P329-W382 HydrophobicContact CB-CB 4.42Å; P329-W382 HydrophobicContact CB-CG 4.21Å; P329-W382 HydrophobicContact CG-CG 4.46Å; V334-W382 HydrophobicContact CG1-CE3 4.26Å; V334-W382 HydrophobicContact CG1-CZ3 4.15Å; V334-W382 HydrophobicContact CG2-CE3 4.45Å; C379-W382 HydrophobicContact CB-CD2 4.49Å; C379-W382 HydrophobicContact CB-CE3 3.79Å; C379-W382 HydrophobicContact CB-CH2 4.47Å; C379-W382 HydrophobicContact CB-CZ3 3.77Å; C379-W382 WeakPolarHBondContact O-CB 3.16Å; C379-W382 PolarHBondContact O-N 2.75Å; K380-W382 PolarHBondContact O-N 2.58Å; W382-G384 PolarHBondContact O-N 3.26Å; W382-G384 VanDerWaalsContact O-N 3.13Å; W382-Q385 PolarHBondContact O-N 3.18Å; W382-V390 HydrophobicContact CB-CG1 4.41Å; W382-V390 HydrophobicContact CB-CG2 3.79Å
383	V	96.9	Very high	97.5	Very high	90 Å²	90	51.8 Å²	51.8	55%	0.545	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	116.2	176.4	179	0	0	0	0	109.2	K380 R381 Q385 V390	K380-V383 WeakPolarHBondContact O-CB 3.38Å; K380-V383 WeakPolarHBondContact O-CG2 3.43Å; K380-V383 PolarHBondContact O-N 3.25Å; R381-V383 VanDerWaalsContact C-N 3.27Å; R381-V383 PolarHBondContact O-N 2.95Å; V383-Q385 VanDerWaalsContact C-N 3.27Å; V383-Q385 PolarHBondContact O-N 3.35Å; V383-V390 HydrophobicContact CG2-CB 4.01Å; V383-V390 HydrophobicContact CG2-CG1 4.14Å
384	G	95.8	Very high	97.5	Very high	75 Å²	75	52.4 Å²	52.4	77%	0.773	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-2	-177.8	0	0	0	0	0	115.4	W382	W382-G384 PolarHBondContact O-N 3.26Å; W382-G384 VanDerWaalsContact O-N 3.13Å
385	Q	96.9	Very high	97.5	Very high	144 Å²	144	48.3 Å²	48.3	67%	0.673	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.3	174.6	-63.7	-66.4	-14.1	0	0	113.3	P329 R381 W382 V383	P329-Q385 HydrophobicContact CG-CB 3.69Å; R381-Q385 WeakPolarHBondContact O-CG 3.13Å; W382-Q385 PolarHBondContact O-N 3.18Å; V383-Q385 VanDerWaalsContact C-N 3.27Å; V383-Q385 PolarHBondContact O-N 3.35Å
386	Q	97.3	Very high	97.5	Very high	29 Å²	29	51.4 Å²	51.4	14%	0.136	27%	0.267	C	S	.	.	S	Bend	trans	-143	157	176.5	50.8	167.7	56.8	0	0	110.6	P329 V332 K388 V390	P329-Q386 HydrophobicContact CB-CB 3.98Å; P329-Q386 HydrophobicContact CB-CG 4.05Å; P329-Q386 VanDerWaalsContact CB-OE1 3.31Å; V332-Q386 PolarHBondContact O-NE2 2.79Å; Q386-K388 VanDerWaalsContact C-N 3.34Å; Q386-K388 WeakPolarHBondContact CG-O 3.38Å; Q386-K388 PolarHBondContact NE2-O 3.31Å; Q386-K388 PolarHBondContact O-N 2.9Å; Q386-V390 HydrophobicContact CG-CG2 4.19Å
387	E	96.6	Very high	97.4	Very high	161 Å²	161	52.4 Å²	52.4	75%	0.752	28%	0.277	S	S	*	.	S	Bend	trans	-66	-35.6	179.6	-63.6	174.8	156.3	0	0	112.7	K219	K219-E387 IonicContact NZ-OE2 3.56Å; K219-E387 PolarHBondContact NZ-OE2 3.43Å
388	K	97.1	Very high	97.2	Very high	88 Å²	88	52 Å²	52	38%	0.383	27%	0.273	S	S	.	.	S	Bend	trans	-82	143.1	-177.5	-60.3	-68.2	-173	176.1	0	110.4	V332 E333 Q386	V332-K388 VanDerWaalsContact C-CB 3.42Å; E333-K388 HydrophobicContact CB-CB 4.41Å; Q386-K388 VanDerWaalsContact C-N 3.34Å; Q386-K388 WeakPolarHBondContact CG-O 3.38Å; Q386-K388 PolarHBondContact NE2-O 3.31Å; Q386-K388 PolarHBondContact O-N 2.9Å
389	P	97.2	Very high	97.1	Very high	62 Å²	62	52.4 Å²	52.4	40%	0.403	28%	0.277	S	S	.	.			trans	-68.2	155	-175.1	23.6	-26.8	0	0	0	112.4	E333 V334	E333-P389 WeakPolarHBondContact CA-O 3.46Å; E333-P389 HydrophobicContact CG-CG 3.83Å; E333-P389 WeakPolarHBondContact OE1-CG 3.22Å; V334-P389 PolarHBondContact N-O 2.88Å
390	V	98.1	Very high	97	Very high	22 Å²	22	53 Å²	53	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.3	176.3	179	0	0	0	0	107.3	V334 W382 V383 Q386 V392	V334-V390 HydrophobicContact CB-CG1 4.27Å; V334-V390 HydrophobicContact CB-CG2 4.31Å; V334-V390 HydrophobicContact CG1-CG1 4.48Å; V334-V390 HydrophobicContact CG2-CG2 4.5Å; W382-V390 HydrophobicContact CB-CG1 4.41Å; W382-V390 HydrophobicContact CB-CG2 3.79Å; V383-V390 HydrophobicContact CG2-CB 4.01Å; V383-V390 HydrophobicContact CG2-CG1 4.14Å; Q386-V390 HydrophobicContact CG-CG2 4.19Å; V390-V392 HydrophobicContact CG1-CG2 4.36Å
391	H	97.9	Very high	96.8	Very high	37 Å²	37	51.2 Å²	51.2	17%	0.171	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.3	-180	-52.3	-77.6	0	0	0	109.1	E333 V334 W335 C336 V423	E333-H391 IonicContact OE1-CD2 3.86Å; E333-H391 IonicContact OE1-CE1 2.8Å; E333-H391 IonicContact OE1-NE2 2.86Å; E333-H391 PolarHBondContact OE1-NE2 3.42Å; V334-H391 PolarHBondContact O-CD2 3.27Å; V334-H391 PolarHBondContact O-N 3.43Å; W335-H391 AromaticContact CD1-CD2 3.69Å; W335-H391 AromaticContact CD1-CG 3.87Å; W335-H391 AromaticContact CD2-CD2 3.99Å; W335-H391 AromaticContact CE2-CD2 3.48Å; W335-H391 VanDerWaalsContact CE2-CD2 3.48Å; W335-H391 AromaticContact CE2-NE2 3.99Å; W335-H391 HydrophobicContact CG-CB 4.24Å; W335-H391 AromaticContact CZ2-CD2 3.95Å; W335-H391 AromaticContact NE1-CD2 3.27Å; W335-H391 PolarHBondContact NE1-CD2 2.71Å; W335-H391 VanDerWaalsContact NE1-CD2 3.27Å; W335-H391 AromaticContact NE1-CG 3.73Å; W335-H391 AromaticContact NE1-NE2 3.89Å; C336-H391 PolarHBondContact N-O 3.1Å; H391-V423 HydrophobicContact CB-CG2 3.64Å
392	V	97.9	Very high	96.6	Very high	27 Å²	27	47.4 Å²	47.4	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.7	-177.2	-176.5	0	0	0	0	109.7	C336 Y338 K380 V390	C336-V392 HydrophobicContact CB-CG2 4.38Å; C336-V392 WeakPolarHBondContact O-CA 3.47Å; Y338-V392 HydrophobicContact CE1-CG1 3.7Å; K380-V392 HydrophobicContact CG-CG1 4.26Å; K380-V392 HydrophobicContact CG-CG2 4.05Å; V390-V392 HydrophobicContact CG1-CG2 4.36Å
393	T	98.4	Very high	96.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.9	175.8	-57.7	0	0	0	0	110.5	C336 M337 Y338 Y395 Q412 P424 K425 V427	C336-T393 PolarHBondContact O-N 2.85Å; M337-T393 WeakPolarHBondContact CA-O 3.44Å; Y338-T393 PolarHBondContact N-O 3.39Å; T393-Y395 HydrophobicContact CG2-CD2 4.21Å; T393-Y395 HydrophobicContact CG2-CE1 4.33Å; T393-Y395 HydrophobicContact CG2-CE2 3.65Å; T393-Q412 PolarHBondContact OG1-NE2 2.86Å; T393-P424 WeakPolarHBondContact CB-O 3.39Å; T393-P424 HydrophobicContact CG2-CG 4.25Å; T393-P424 VanDerWaalsContact CG2-O 3.3Å; T393-P424 WeakPolarHBondContact CG2-O 3.48Å; T393-P424 PolarHBondContact OG1-O 2.92Å; T393-K425 WeakPolarHBondContact CA-O 3.04Å; T393-V427 HydrophobicContact CG2-CG2 3.97Å
394	E	98.3	Very high	96.2	Very high	41 Å²	41	43 Å²	43	19%	0.192	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.2	174.8	-67.8	173.2	-167.1	0	0	110.1	Y338 V340 K380 K425 E426 V427	Y338-E394 HydrophobicContact CE1-CG 4.35Å; Y338-E394 HydrophobicContact CE2-CG 3.76Å; Y338-E394 WeakPolarHBondContact OH-CG 3.39Å; Y338-E394 PolarHBondContact OH-OE1 3.45Å; V340-E394 HydrophobicContact CG1-CB 4.08Å; V340-E394 HydrophobicContact CG1-CG 4.06Å; V340-E394 HydrophobicContact CG2-CB 3.98Å; K380-E394 WeakPolarHBondContact CE-OE1 3.41Å; K380-E394 IonicContact NZ-OE1 3.22Å; K380-E394 PolarHBondContact NZ-OE1 3.47Å; E394-K425 PolarHBondContact N-O 3.05Å; E394-E426 CarbonylContact O-C 3.57Å; E394-E426 VanDerWaalsContact O-CA 3.3Å; E394-E426 WeakPolarHBondContact O-CA 3.29Å; E394-V427 PolarHBondContact O-N 2.88Å
395	Y	98.1	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	102.4	177.6	-68.9	-87.3	0	0	0	110.5	M337 Y338 G339 V340 T393 G397 L398 M403 V409 Q412 V427 V429	M337-Y395 HydrophobicContact CB-CE2 3.92Å; M337-Y395 HydrophobicContact CE-CE2 3.93Å; M337-Y395 WeakPolarHBondContact CE-OH 3.42Å; M337-Y395 HydrophobicContact CG-CE2 4.29Å; Y338-Y395 PolarHBondContact O-N 3.48Å; G339-Y395 CarbonylContact C-O 3.52Å; G339-Y395 WeakPolarHBondContact CA-O 3.36Å; V340-Y395 PolarHBondContact N-O 2.71Å; T393-Y395 HydrophobicContact CG2-CD2 4.21Å; T393-Y395 HydrophobicContact CG2-CE1 4.33Å; T393-Y395 HydrophobicContact CG2-CE2 3.65Å; Y395-G397 PolarHBondContact O-N 3.01Å; Y395-L398 HydrophobicContact CD1-CD2 3.97Å; Y395-L398 HydrophobicContact CG-CD2 3.8Å; Y395-M403 HydrophobicContact CD2-CE 3.86Å; Y395-M403 HydrophobicContact CD2-SD 4.34Å; Y395-M403 HydrophobicContact CE2-CE 4.11Å; Y395-M403 HydrophobicContact CG-CE 4.25Å; Y395-V409 HydrophobicContact CD1-CG2 4.08Å; Y395-V409 HydrophobicContact CE1-CG2 3.77Å; Y395-V409 HydrophobicContact CE2-CG2 4.3Å; Y395-V409 HydrophobicContact CG-CG2 4.48Å; Y395-Q412 PolarHBondContact OH-OE1 3.22Å; Y395-V427 CarbonylContact C-O 3.53Å; Y395-V427 WeakPolarHBondContact CA-O 3.25Å; Y395-V427 HydrophobicContact CD1-CB 3.75Å; Y395-V427 HydrophobicContact CD1-CG1 3.98Å; Y395-V427 HydrophobicContact CD1-CG2 4.4Å; Y395-V427 HydrophobicContact CE1-CB 3.89Å; Y395-V427 HydrophobicContact CE1-CG1 4.04Å; Y395-V427 HydrophobicContact CE1-CG2 4.06Å; Y395-V429 HydrophobicContact CD1-CG1 4.26Å
396	R	97.5	Very high	95.7	Very high	65 Å²	65	34.8 Å²	34.8	25%	0.245	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.5	-175.7	-174.4	179.4	-62.1	-71	-4.1	111.6	V340 E426 V427 V429 R430	V340-R396 HydrophobicContact CG2-CB 4.05Å; V340-R396 CarbonylContact O-C 3.59Å; V340-R396 VanDerWaalsContact O-CA 3.32Å; V340-R396 WeakPolarHBondContact O-CA 3.07Å; R396-E426 IonicContact CZ-OE1 3.12Å; R396-E426 IonicContact CZ-OE2 2.68Å; R396-E426 IonicContact NE-OE1 3.69Å; R396-E426 PolarHBondContact NE-OE1 3.22Å; R396-E426 IonicContact NE-OE2 3.94Å; R396-E426 VanDerWaalsContact NH2-CD 3.29Å; R396-E426 IonicContact NH2-OE1 2.65Å; R396-E426 PolarHBondContact NH2-OE1 3.5Å; R396-E426 VanDerWaalsContact NH2-OE1 3.17Å; R396-E426 IonicContact NH2-OE2 3.13Å; R396-E426 PolarHBondContact NH2-OE2 3.38Å; R396-V427 PolarHBondContact N-O 2.89Å; R396-V429 WeakPolarHBondContact O-CG2 3.31Å; R396-V429 PolarHBondContact O-N 3.34Å; R396-R430 VanDerWaalsContact CD-CZ 3.46Å
397	G	95.3	Very high	95.5	Very high	21 Å²	21	38.9 Å²	38.9	22%	0.216	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	15.4	-179.7	0	0	0	0	0	114.2	V340 Y395 V429	V340-G397 PolarHBondContact O-N 3.35Å; Y395-G397 PolarHBondContact O-N 3.01Å; G397-V429 WeakPolarHBondContact O-CG2 3.19Å
398	L	95.3	Very high	95.3	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.173	C	C	.	.			trans	-100.6	123.3	-177.7	-168.3	51.8	0	0	0	111.1	Y395 D402 M403 H406 V409 V429	Y395-L398 HydrophobicContact CD1-CD2 3.97Å; Y395-L398 HydrophobicContact CG-CD2 3.8Å; L398-D402 HydrophobicContact CD1-CB 3.61Å; L398-M403 HydrophobicContact CD2-CE 3.38Å; L398-M403 HydrophobicContact CD2-SD 4.18Å; L398-M403 HydrophobicContact CG-CE 4.29Å; L398-M403 HydrophobicContact CG-CG 4.48Å; L398-H406 HydrophobicContact CD1-CB 3.84Å; L398-H406 VanDerWaalsContact CD1-CD2 3.42Å; L398-H406 WeakPolarHBondContact CD1-CD2 3.3Å; L398-H406 HydrophobicContact CD2-CB 4.12Å; L398-V409 HydrophobicContact CD2-CG2 3.61Å; L398-V429 HydrophobicContact CB-CG1 4.45Å; L398-V429 HydrophobicContact CB-CG2 3.71Å; L398-V429 HydrophobicContact CD1-CG2 4.22Å; L398-V429 HydrophobicContact CD2-CG1 4.3Å; L398-V429 HydrophobicContact CG-CG2 4.46Å
399	A	95.4	Very high	95.3	Very high	15 Å²	15	29.8 Å²	29.8	12%	0.124	16%	0.155	C	C	.	.			trans	-71.8	156.1	178.9	0	0	0	0	0	112.4	L342 D368 D369 L401 D402 M403	L342-A399 HydrophobicContact CD1-CB 4.09Å; D368-A399 CarbonylContact O-C 3.21Å; D368-A399 VanDerWaalsContact O-CA 3.29Å; D368-A399 WeakPolarHBondContact O-CA 3.23Å; D369-A399 VanDerWaalsContact OD2-CB 3.31Å; D369-A399 WeakPolarHBondContact OD2-CB 3.35Å; A399-L401 PolarHBondContact O-N 2.86Å; A399-D402 HydrophobicContact CB-CB 4.25Å; A399-D402 PolarHBondContact O-N 2.72Å; A399-D402 VanDerWaalsContact O-N 3.16Å; A399-M403 PolarHBondContact O-N 2.81Å
400	H	96.1	Very high	95.2	Very high	11 Å²	11	27 Å²	27	5%	0.051	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-52.2	-175.2	-170	74.2	0	0	0	112.4	H203 S204 A233 D368 D369 M403	H203-H400 PolarHBondContact NE2-O 2.74Å; S204-H400 WeakPolarHBondContact CB-NE2 3.13Å; S204-H400 PolarHBondContact OG-NE2 3.2Å; A233-H400 PolarHBondContact O-CE1 2.76Å; D368-H400 HydrophobicContact CB-CB 4.43Å; D368-H400 PolarHBondContact O-N 3.13Å; D368-H400 IonicContact OD1-CG 3.55Å; D368-H400 IonicContact OD1-ND1 2.7Å; D368-H400 IonicContact OD2-CE1 2.77Å; D368-H400 IonicContact OD2-CG 3.54Å; D368-H400 IonicContact OD2-ND1 2.68Å; D368-H400 PolarHBondContact OD2-ND1 3.36Å; D369-H400 WeakPolarHBondContact OD1-CB 3.42Å; H400-M403 WeakPolarHBondContact O-CB 2.87Å; H400-M403 WeakPolarHBondContact O-CG 3.35Å; H400-M403 PolarHBondContact O-N 3.2Å
401	L	91.5	Very high	94.9	Very high	62 Å²	62	27.6 Å²	27.6	33%	0.325	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-75.3	-25.1	-177.9	-66.5	179.8	0	0	0	113.1	W26 A399 M403 F405	W26-L401 HydrophobicContact CB-CD1 3.73Å; W26-L401 HydrophobicContact CD2-CD1 4.1Å; W26-L401 HydrophobicContact CE3-CD1 4.07Å; W26-L401 HydrophobicContact CG-CD1 3.99Å; A399-L401 PolarHBondContact O-N 2.86Å; L401-M403 PolarHBondContact O-N 3.46Å; L401-F405 WeakPolarHBondContact O-CD2 3.31Å; L401-F405 WeakPolarHBondContact O-CE2 3.11Å
402	D	92.4	Very high	94.8	Very high	40 Å²	40	26.1 Å²	26.1	21%	0.214	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-69.5	-14.7	179.2	-74	-21.4	0	0	0	112.3	N29 L398 A399 V404 F405 H406	N29-D402 PolarHBondContact ND2-OD1 2.91Å; L398-D402 HydrophobicContact CD1-CB 3.61Å; A399-D402 HydrophobicContact CB-CB 4.25Å; A399-D402 PolarHBondContact O-N 2.72Å; A399-D402 VanDerWaalsContact O-N 3.16Å; D402-V404 PolarHBondContact O-N 3.11Å; D402-F405 PolarHBondContact O-N 3.44Å; D402-H406 VanDerWaalsContact O-CB 3.3Å; D402-H406 WeakPolarHBondContact O-CB 3.28Å; D402-H406 PolarHBondContact O-N 2.66Å
403	M	93.5	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-56.6	-32.5	179.5	-73.8	-96.3	47.9	0	0	114.4	A233 Y395 L398 A399 H400 L401 V409	A233-M403 HydrophobicContact CB-CG 4.03Å; A233-M403 HydrophobicContact CB-SD 4.37Å; Y395-M403 HydrophobicContact CD2-CE 3.86Å; Y395-M403 HydrophobicContact CD2-SD 4.34Å; Y395-M403 HydrophobicContact CE2-CE 4.11Å; Y395-M403 HydrophobicContact CG-CE 4.25Å; L398-M403 HydrophobicContact CD2-CE 3.38Å; L398-M403 HydrophobicContact CD2-SD 4.18Å; L398-M403 HydrophobicContact CG-CE 4.29Å; L398-M403 HydrophobicContact CG-CG 4.48Å; A399-M403 PolarHBondContact O-N 2.81Å; H400-M403 WeakPolarHBondContact O-CB 2.87Å; H400-M403 WeakPolarHBondContact O-CG 3.35Å; H400-M403 PolarHBondContact O-N 3.2Å; L401-M403 PolarHBondContact O-N 3.46Å; M403-V409 HydrophobicContact CE-CB 4.01Å; M403-V409 HydrophobicContact CE-CG1 3.72Å; M403-V409 HydrophobicContact CE-CG2 3.1Å; M403-V409 VanDerWaalsContact O-CG1 3.29Å; M403-V409 WeakPolarHBondContact O-CG1 3.33Å
404	V	94.1	Very high	94.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-89.2	-2.2	-179.1	-59.8	0	0	0	0	113.6	Y143 F144 T147 H203 L232 D402	Y143-V404 HydrophobicContact CD2-CG2 3.99Å; Y143-V404 HydrophobicContact CE2-CG1 4.41Å; Y143-V404 HydrophobicContact CE2-CG2 3.95Å; Y143-V404 WeakPolarHBondContact O-CG2 3.36Å; F144-V404 HydrophobicContact CD1-CB 4.45Å; F144-V404 HydrophobicContact CD1-CG1 4.42Å; F144-V404 HydrophobicContact CE1-CB 4.24Å; F144-V404 HydrophobicContact CE1-CG1 3.77Å; F144-V404 HydrophobicContact CZ-CG1 3.85Å; T147-V404 PolarHBondContact OG1-O 3.22Å; H203-V404 HydrophobicContact CB-CG1 4.07Å; L232-V404 HydrophobicContact CD1-CG1 4.28Å; D402-V404 PolarHBondContact O-N 3.11Å
405	F	89.3	Confident	94.2	Very high	8 Å²	8	27 Å²	27	4%	0.035	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-24.5	-177.2	-46.6	-70.7	0	0	0	113.5	V30 G142 Y143 T146 L401 D402 E407	V30-F405 HydrophobicContact CG2-CE2 4.09Å; V30-F405 HydrophobicContact CG2-CZ 3.83Å; G142-F405 WeakPolarHBondContact O-CZ 3.42Å; Y143-F405 HydrophobicContact CD2-CZ 4.46Å; Y143-F405 WeakPolarHBondContact O-CE1 2.99Å; Y143-F405 VanDerWaalsContact O-CZ 3.24Å; Y143-F405 WeakPolarHBondContact O-CZ 3.36Å; T146-F405 WeakPolarHBondContact OG1-CD1 3.45Å; L401-F405 WeakPolarHBondContact O-CD2 3.31Å; L401-F405 WeakPolarHBondContact O-CE2 3.11Å; D402-F405 PolarHBondContact O-N 3.44Å; F405-E407 PolarHBondContact O-N 3Å
406	H	93.1	Very high	94.1	Very high	39 Å²	39	27 Å²	27	18%	0.181	14%	0.135	C	C	.	.			trans	-68.2	128.6	-169.4	-165.9	-77.8	0	0	0	112.9	L398 D402 K408 V409 L410 V429 D432	L398-H406 HydrophobicContact CD1-CB 3.84Å; L398-H406 VanDerWaalsContact CD1-CD2 3.42Å; L398-H406 WeakPolarHBondContact CD1-CD2 3.3Å; L398-H406 HydrophobicContact CD2-CB 4.12Å; D402-H406 VanDerWaalsContact O-CB 3.3Å; D402-H406 WeakPolarHBondContact O-CB 3.28Å; D402-H406 PolarHBondContact O-N 2.66Å; H406-K408 VanDerWaalsContact C-N 3.33Å; H406-K408 PolarHBondContact ND1-N 3.11Å; H406-K408 PolarHBondContact O-N 2.89Å; H406-V409 HydrophobicContact CB-CG2 3.92Å; H406-V409 WeakPolarHBondContact O-CB 3.25Å; H406-V409 PolarHBondContact O-N 3.27Å; H406-L410 WeakPolarHBondContact O-CG 2.86Å; H406-L410 PolarHBondContact O-N 3.17Å; H406-L410 VanDerWaalsContact O-N 3.08Å; H406-V429 VanDerWaalsContact CE1-CG1 3.49Å; H406-V429 WeakPolarHBondContact CE1-CG1 3.44Å; H406-D432 IonicContact CE1-OD2 3.08Å; H406-D432 IonicContact NE2-OD2 2.69Å
407	E	91.6	Very high	93.9	Very high	115 Å²	115	24.2 Å²	24.2	54%	0.537	13%	0.125	S	C	.	.	H	α-helix	trans	-54.8	-44	-172.5	-175.6	-176.7	174.1	0	0	113.1	F405 V409 L410 N411	F405-E407 PolarHBondContact O-N 3Å; E407-V409 VanDerWaalsContact C-N 3.26Å; E407-V409 PolarHBondContact O-N 3.08Å; E407-L410 PolarHBondContact O-N 3.37Å; E407-N411 WeakPolarHBondContact O-CB 3.35Å; E407-N411 VanDerWaalsContact O-CG 3.32Å; E407-N411 PolarHBondContact O-N 2.85Å; E407-N411 PolarHBondContact O-ND2 2.8Å
408	K	93.9	Very high	93.6	Very high	58 Å²	58	26.6 Å²	26.6	25%	0.252	13%	0.13	S	C	.	.	H	α-helix	trans	-62	-32.8	179.3	-67.6	179.4	177	153	0	113	H406 Q412 V427 D428 V429 D432	H406-K408 VanDerWaalsContact C-N 3.33Å; H406-K408 PolarHBondContact ND1-N 3.11Å; H406-K408 PolarHBondContact O-N 2.89Å; K408-Q412 PolarHBondContact O-N 3.49Å; K408-V427 HydrophobicContact CB-CG1 4.22Å; K408-V427 HydrophobicContact CD-CG1 3.61Å; K408-V427 HydrophobicContact CG-CG1 4.45Å; K408-D428 PolarHBondContact NZ-O 2.8Å; K408-V429 HydrophobicContact CD-CG1 4.16Å; K408-D432 WeakPolarHBondContact CE-OD2 3.33Å; K408-D432 IonicContact NZ-OD1 2.67Å; K408-D432 PolarHBondContact NZ-OD1 3.2Å; K408-D432 IonicContact NZ-OD2 3.52Å; K408-D432 PolarHBondContact NZ-OD2 2.93Å
409	V	96.2	Very high	93.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-73.4	-48.5	177.4	-177.1	0	0	0	0	109.8	L232 M337 Y395 L398 M403 H406 E407 N411 Q412 I413	L232-V409 HydrophobicContact CD2-CG1 4.24Å; M337-V409 HydrophobicContact CE-CG1 3.79Å; Y395-V409 HydrophobicContact CD1-CG2 4.08Å; Y395-V409 HydrophobicContact CE1-CG2 3.77Å; Y395-V409 HydrophobicContact CE2-CG2 4.3Å; Y395-V409 HydrophobicContact CG-CG2 4.48Å; L398-V409 HydrophobicContact CD2-CG2 3.61Å; M403-V409 HydrophobicContact CE-CB 4.01Å; M403-V409 HydrophobicContact CE-CG1 3.72Å; M403-V409 HydrophobicContact CE-CG2 3.1Å; M403-V409 VanDerWaalsContact O-CG1 3.29Å; M403-V409 WeakPolarHBondContact O-CG1 3.33Å; H406-V409 HydrophobicContact CB-CG2 3.92Å; H406-V409 WeakPolarHBondContact O-CB 3.25Å; H406-V409 PolarHBondContact O-N 3.27Å; E407-V409 VanDerWaalsContact C-N 3.26Å; E407-V409 PolarHBondContact O-N 3.08Å; V409-N411 VanDerWaalsContact C-N 3.3Å; V409-N411 PolarHBondContact O-N 2.91Å; V409-Q412 PolarHBondContact O-N 3.39Å; V409-I413 HydrophobicContact CG1-CD1 3.97Å; V409-I413 HydrophobicContact CG1-CG1 4.47Å; V409-I413 WeakPolarHBondContact O-CG1 3.23Å; V409-I413 PolarHBondContact O-N 2.97Å
410	L	95	Very high	92.7	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-42.2	178.8	-59.7	-176.4	0	0	0	111.5	T146 T147 H150 H406 E407 Q412 I413 Q414	T146-L410 HydrophobicContact CG2-CD1 3.82Å; T147-L410 HydrophobicContact CG2-CD2 4.23Å; T147-L410 WeakPolarHBondContact OG1-CD2 3.2Å; H150-L410 HydrophobicContact CB-CB 4.46Å; H150-L410 HydrophobicContact CB-CD1 4.01Å; H150-L410 PolarHBondContact NE2-O 2.81Å; H406-L410 WeakPolarHBondContact O-CG 2.86Å; H406-L410 PolarHBondContact O-N 3.17Å; H406-L410 VanDerWaalsContact O-N 3.08Å; E407-L410 PolarHBondContact O-N 3.37Å; L410-Q412 VanDerWaalsContact C-N 3.31Å; L410-Q412 PolarHBondContact O-N 3.4Å; L410-I413 HydrophobicContact CD2-CD1 4.37Å; L410-I413 PolarHBondContact O-N 2.77Å; L410-Q414 WeakPolarHBondContact O-CB 3.46Å; L410-Q414 PolarHBondContact O-N 3.21Å
411	N	92.6	Very high	91.8	Very high	34 Å²	34	35.1 Å²	35.1	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-38	173.9	-79.1	-35	0	0	0	112.5	K39 E407 V409 Q415	K39-N411 PolarHBondContact NZ-OD1 3.12Å; E407-N411 WeakPolarHBondContact O-CB 3.35Å; E407-N411 VanDerWaalsContact O-CG 3.32Å; E407-N411 PolarHBondContact O-N 2.85Å; E407-N411 PolarHBondContact O-ND2 2.8Å; V409-N411 VanDerWaalsContact C-N 3.3Å; V409-N411 PolarHBondContact O-N 2.91Å; N411-Q415 VanDerWaalsContact O-CG 3.26Å; N411-Q415 WeakPolarHBondContact O-CG 3.43Å; N411-Q415 PolarHBondContact O-N 3.21Å
412	Q	95.5	Very high	91.4	Very high	6 Å²	6	39 Å²	39	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-72.3	-41.3	176.7	-177.4	167	-26.9	0	0	111.8	M337 T393 Y395 K408 V409 L410 Q414 Q415 I416 V423	M337-Q412 HydrophobicContact CE-CB 4.02Å; M337-Q412 HydrophobicContact CE-CG 3.89Å; T393-Q412 PolarHBondContact OG1-NE2 2.86Å; Y395-Q412 PolarHBondContact OH-OE1 3.22Å; K408-Q412 PolarHBondContact O-N 3.49Å; V409-Q412 PolarHBondContact O-N 3.39Å; L410-Q412 VanDerWaalsContact C-N 3.31Å; L410-Q412 PolarHBondContact O-N 3.4Å; Q412-Q414 VanDerWaalsContact C-N 3.29Å; Q412-Q414 PolarHBondContact O-N 2.83Å; Q412-Q415 WeakPolarHBondContact O-CB 3.41Å; Q412-Q415 PolarHBondContact O-N 3.42Å; Q412-Q415 VanDerWaalsContact O-N 3.11Å; Q412-I416 HydrophobicContact CG-CD1 4.05Å; Q412-I416 VanDerWaalsContact O-CG1 3.28Å; Q412-I416 WeakPolarHBondContact O-CG1 3.44Å; Q412-I416 PolarHBondContact O-N 3.37Å; Q412-V423 HydrophobicContact CG-CG1 4.16Å
413	I	96.1	Very high	91.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-55.6	-48.2	171.8	-68.3	165.9	0	0	0	109.5	L201 I230 L232 M337 V409 L410 Q415 I416 L417	L201-I413 HydrophobicContact CD1-CD1 3.89Å; L201-I413 HydrophobicContact CD1-CG1 4.38Å; L201-I413 HydrophobicContact CD1-CG2 4.35Å; I230-I413 HydrophobicContact CD1-CG2 4.47Å; L232-I413 HydrophobicContact CD1-CD1 4.1Å; L232-I413 HydrophobicContact CD2-CD1 4.42Å; M337-I413 HydrophobicContact CE-CG1 4.32Å; V409-I413 HydrophobicContact CG1-CD1 3.97Å; V409-I413 HydrophobicContact CG1-CG1 4.47Å; V409-I413 WeakPolarHBondContact O-CG1 3.23Å; V409-I413 PolarHBondContact O-N 2.97Å; L410-I413 HydrophobicContact CD2-CD1 4.37Å; L410-I413 PolarHBondContact O-N 2.77Å; I413-Q415 VanDerWaalsContact C-N 3.33Å; I413-Q415 PolarHBondContact O-N 3.12Å; I413-I416 PolarHBondContact O-N 3.15Å; I413-L417 HydrophobicContact CG2-CD1 3.69Å; I413-L417 HydrophobicContact CG2-CG 4.23Å; I413-L417 WeakPolarHBondContact O-CB 3.44Å; I413-L417 WeakPolarHBondContact O-CG 3.36Å; I413-L417 PolarHBondContact O-N 3.21Å
414	Q	93.3	Very high	91	Very high	13 Å²	13	41 Å²	41	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-54.4	-48.4	174.8	178.1	-172.1	-6.2	0	0	111.7	H150 V154 L410 Q412 I416 L417 E418	H150-Q414 PolarHBondContact NE2-OE1 2.99Å; V154-Q414 HydrophobicContact CG1-CG 4.37Å; V154-Q414 HydrophobicContact CG2-CG 4.44Å; L410-Q414 WeakPolarHBondContact O-CB 3.46Å; L410-Q414 PolarHBondContact O-N 3.21Å; Q412-Q414 VanDerWaalsContact C-N 3.29Å; Q412-Q414 PolarHBondContact O-N 2.83Å; Q414-I416 VanDerWaalsContact C-N 3.34Å; Q414-I416 PolarHBondContact O-N 3.38Å; Q414-L417 PolarHBondContact O-N 3.48Å; Q414-E418 HydrophobicContact CG-CG 4.46Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.43Å; Q414-E418 PolarHBondContact NE2-OE1 2.88Å; Q414-E418 WeakPolarHBondContact O-CB 3.44Å; Q414-E418 VanDerWaalsContact O-CG 3.31Å; Q414-E418 WeakPolarHBondContact O-CG 3.31Å; Q414-E418 PolarHBondContact O-N 3.07Å
415	Q	92.6	Very high	91	Very high	73 Å²	73	49.6 Å²	49.6	34%	0.341	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-41.7	179.6	-72.6	171.6	13.6	0	0	112.5	N411 Q412 I413 E418 G419 K420	N411-Q415 VanDerWaalsContact O-CG 3.26Å; N411-Q415 WeakPolarHBondContact O-CG 3.43Å; N411-Q415 PolarHBondContact O-N 3.21Å; Q412-Q415 WeakPolarHBondContact O-CB 3.41Å; Q412-Q415 PolarHBondContact O-N 3.42Å; Q412-Q415 VanDerWaalsContact O-N 3.11Å; I413-Q415 VanDerWaalsContact C-N 3.33Å; I413-Q415 PolarHBondContact O-N 3.12Å; Q415-E418 PolarHBondContact O-N 3.03Å; Q415-G419 PolarHBondContact O-N 2.98Å; Q415-K420 HydrophobicContact CB-CB 4.25Å; Q415-K420 HydrophobicContact CB-CD 3.98Å; Q415-K420 HydrophobicContact CG-CD 3.99Å; Q415-K420 WeakPolarHBondContact O-CB 3.41Å; Q415-K420 PolarHBondContact O-N 2.54Å
416	I	94.9	Very high	91.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-45.8	176.1	-66	162.6	0	0	0	110.5	Y199 I230 W335 M337 Q412 I413 Q414 E418 G419 V423	Y199-I416 HydrophobicContact CE1-CG2 4.03Å; Y199-I416 PolarHBondContact OH-O 3.28Å; Y199-I416 VanDerWaalsContact OH-O 3.05Å; I230-I416 HydrophobicContact CD1-CB 4.37Å; I230-I416 HydrophobicContact CD1-CD1 4.49Å; I230-I416 HydrophobicContact CD1-CG2 3.8Å; I230-I416 HydrophobicContact CG1-CG2 4.15Å; W335-I416 HydrophobicContact CB-CD1 3.86Å; W335-I416 VanDerWaalsContact CD1-CD1 3.45Å; W335-I416 HydrophobicContact CD2-CD1 4.17Å; W335-I416 HydrophobicContact CD2-CG1 4.26Å; W335-I416 HydrophobicContact CD2-CG2 3.67Å; W335-I416 HydrophobicContact CE3-CG2 3.93Å; W335-I416 HydrophobicContact CG-CD1 3.54Å; W335-I416 HydrophobicContact CG-CG1 4.02Å; W335-I416 HydrophobicContact CG-CG2 4.23Å; W335-I416 HydrophobicContact CH2-CG2 4.07Å; W335-I416 HydrophobicContact CZ2-CG2 3.83Å; W335-I416 HydrophobicContact CZ3-CG2 4.14Å; M337-I416 HydrophobicContact SD-CD1 4.14Å; Q412-I416 HydrophobicContact CG-CD1 4.05Å; Q412-I416 VanDerWaalsContact O-CG1 3.28Å; Q412-I416 WeakPolarHBondContact O-CG1 3.44Å; Q412-I416 PolarHBondContact O-N 3.37Å; I413-I416 PolarHBondContact O-N 3.15Å; Q414-I416 VanDerWaalsContact C-N 3.34Å; Q414-I416 PolarHBondContact O-N 3.38Å; I416-E418 VanDerWaalsContact C-N 3.27Å; I416-E418 PolarHBondContact O-N 3.26Å; I416-G419 WeakPolarHBondContact O-CA 3.23Å; I416-G419 PolarHBondContact O-N 3.12Å; I416-V423 HydrophobicContact CG1-CG1 4.25Å
417	L	93.5	Very high	91.3	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-27.5	179.4	-65.5	174.7	0	0	0	113	L48 L151 Y156 Y199 I230 I413 Q414 G419	L48-L417 HydrophobicContact CD1-CD2 4.29Å; L48-L417 HydrophobicContact CD2-CD1 4.16Å; L151-L417 HydrophobicContact CD2-CD1 3.4Å; L151-L417 VanDerWaalsContact CD2-CD1 3.4Å; Y156-L417 HydrophobicContact CE2-CD1 4.05Å; Y156-L417 WeakPolarHBondContact OH-CB 3.33Å; Y199-L417 HydrophobicContact CD2-CD2 3.36Å; Y199-L417 HydrophobicContact CE2-CD2 3.86Å; Y199-L417 HydrophobicContact CG-CD2 3.79Å; I230-L417 HydrophobicContact CD1-CD2 4.36Å; I413-L417 HydrophobicContact CG2-CD1 3.69Å; I413-L417 HydrophobicContact CG2-CG 4.23Å; I413-L417 WeakPolarHBondContact O-CB 3.44Å; I413-L417 WeakPolarHBondContact O-CG 3.36Å; I413-L417 PolarHBondContact O-N 3.21Å; Q414-L417 PolarHBondContact O-N 3.48Å; L417-G419 PolarHBondContact O-N 3.05Å
418	E	89.6	Confident	91.3	Very high	71 Å²	71	50.1 Å²	50.1	33%	0.332	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4	170.7	-72.2	172.7	-179	0	0	113.4	Q414 Q415 I416 K420	Q414-E418 HydrophobicContact CG-CG 4.46Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.43Å; Q414-E418 PolarHBondContact NE2-OE1 2.88Å; Q414-E418 WeakPolarHBondContact O-CB 3.44Å; Q414-E418 VanDerWaalsContact O-CG 3.31Å; Q414-E418 WeakPolarHBondContact O-CG 3.31Å; Q414-E418 PolarHBondContact O-N 3.07Å; Q415-E418 PolarHBondContact O-N 3.03Å; I416-E418 VanDerWaalsContact C-N 3.27Å; I416-E418 PolarHBondContact O-N 3.26Å; E418-K420 IonicContact OE2-NZ 3.48Å; E418-K420 PolarHBondContact OE2-NZ 2.73Å
419	G	86.6	Confident	91.2	Very high	45 Å²	45	47.8 Å²	47.8	46%	0.464	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	13.6	177.4	0	0	0	0	0	114.9	Q415 I416 L417	Q415-G419 PolarHBondContact O-N 2.98Å; I416-G419 WeakPolarHBondContact O-CA 3.23Å; I416-G419 PolarHBondContact O-N 3.12Å; L417-G419 PolarHBondContact O-N 3.05Å
420	K	85.9	Confident	90.5	Very high	106 Å²	106	54.5 Å²	54.5	46%	0.461	28%	0.279	S	S	.	.			trans	-80.5	119.1	171.7	-62.3	167.5	-177.9	146.9	0	109	Q415 E418	Q415-K420 HydrophobicContact CB-CB 4.25Å; Q415-K420 HydrophobicContact CB-CD 3.98Å; Q415-K420 HydrophobicContact CG-CD 3.99Å; Q415-K420 WeakPolarHBondContact O-CB 3.41Å; Q415-K420 PolarHBondContact O-N 2.54Å; E418-K420 IonicContact OE2-NZ 3.48Å; E418-K420 PolarHBondContact OE2-NZ 2.73Å
421	S	77.3	Confident	88.9	Confident	56 Å²	56	57.6 Å²	57.6	39%	0.392	30%	0.301	S	S	.	.			trans	-89.6	-20.2	178.5	53.1	0	0	0	0	113.3	V423	S421-V423 PolarHBondContact O-N 2.8Å
422	D	82.6	Confident	87.3	Confident	143 Å²	143	60 Å²	60	77%	0.765	31%	0.314	S	S	*	.			trans	-75.2	107.3	180	-67.6	-23.7	0	0	0	109.8
423	V	86.1	Confident	84.8	Confident	30 Å²	30	65.9 Å²	65.9	18%	0.182	35%	0.35	C	S	.	.			trans	-116	145.2	176.4	-64.1	0	0	0	0	111	H391 Q412 I416 S421	H391-V423 HydrophobicContact CB-CG2 3.64Å; Q412-V423 HydrophobicContact CG-CG1 4.16Å; I416-V423 HydrophobicContact CG1-CG1 4.25Å; S421-V423 PolarHBondContact O-N 2.8Å
424	P	91.9	Very high	81.7	Confident	53 Å²	53	76.3 Å²	76.3	34%	0.344	40%	0.404	S	S	.	.			trans	-62.6	144.5	174.3	27.3	-34.4	0	0	0	110.5	T393 V427	T393-P424 WeakPolarHBondContact CB-O 3.39Å; T393-P424 HydrophobicContact CG2-CG 4.25Å; T393-P424 VanDerWaalsContact CG2-O 3.3Å; T393-P424 WeakPolarHBondContact CG2-O 3.48Å; T393-P424 PolarHBondContact OG1-O 2.92Å; P424-V427 HydrophobicContact CB-CG2 3.8Å; P424-V427 HydrophobicContact CG-CG2 3.37Å
425	K	92.9	Very high	81.1	Confident	180 Å²	180	79.5 Å²	79.5	78%	0.783	42%	0.421	S	S	*	.	S	Bend	trans	-73.7	-38.1	173.3	-67.3	-171.3	179.9	-176.9	0	112.1	T393 E394	T393-K425 WeakPolarHBondContact CA-O 3.04Å; E394-K425 PolarHBondContact N-O 3.05Å
426	E	94.3	Very high	80.5	Confident	91 Å²	91	79.8 Å²	79.8	43%	0.425	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.2	178.5	-171.4	178.6	131	0	0	109.4	E394 R396	E394-E426 CarbonylContact O-C 3.57Å; E394-E426 VanDerWaalsContact O-CA 3.3Å; E394-E426 WeakPolarHBondContact O-CA 3.29Å; R396-E426 IonicContact CZ-OE1 3.12Å; R396-E426 IonicContact CZ-OE2 2.68Å; R396-E426 IonicContact NE-OE1 3.69Å; R396-E426 PolarHBondContact NE-OE1 3.22Å; R396-E426 IonicContact NE-OE2 3.94Å; R396-E426 VanDerWaalsContact NH2-CD 3.29Å; R396-E426 IonicContact NH2-OE1 2.65Å; R396-E426 PolarHBondContact NH2-OE1 3.5Å; R396-E426 VanDerWaalsContact NH2-OE1 3.17Å; R396-E426 IonicContact NH2-OE2 3.13Å; R396-E426 PolarHBondContact NH2-OE2 3.38Å
427	V	94.8	Very high	79.7	Confident	23 Å²	23	84.3 Å²	84.3	14%	0.139	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.2	175.2	179.2	0	0	0	0	108.3	T393 E394 Y395 R396 K408 P424 V429	T393-V427 HydrophobicContact CG2-CG2 3.97Å; E394-V427 PolarHBondContact O-N 2.88Å; Y395-V427 CarbonylContact C-O 3.53Å; Y395-V427 WeakPolarHBondContact CA-O 3.25Å; Y395-V427 HydrophobicContact CD1-CB 3.75Å; Y395-V427 HydrophobicContact CD1-CG1 3.98Å; Y395-V427 HydrophobicContact CD1-CG2 4.4Å; Y395-V427 HydrophobicContact CE1-CB 3.89Å; Y395-V427 HydrophobicContact CE1-CG1 4.04Å; Y395-V427 HydrophobicContact CE1-CG2 4.06Å; R396-V427 PolarHBondContact N-O 2.89Å; K408-V427 HydrophobicContact CB-CG1 4.22Å; K408-V427 HydrophobicContact CD-CG1 3.61Å; K408-V427 HydrophobicContact CG-CG1 4.45Å; P424-V427 HydrophobicContact CB-CG2 3.8Å; P424-V427 HydrophobicContact CG-CG2 3.37Å; V427-V429 HydrophobicContact CG1-CG1 4.49Å
428	D	92.3	Very high	78.9	Confident	59 Å²	59	88.9 Å²	88.9	32%	0.316	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	124.9	174.1	-160.7	-24.3	0	0	0	110.1	K408 R430	K408-D428 PolarHBondContact NZ-O 2.8Å; D428-R430 VanDerWaalsContact OD1-CB 3.31Å; D428-R430 WeakPolarHBondContact OD1-CB 3.48Å; D428-R430 WeakPolarHBondContact OD1-CG 3.31Å; D428-R430 IonicContact OD1-CZ 2.73Å; D428-R430 PolarHBondContact OD1-N 2.87Å; D428-R430 IonicContact OD1-NE 2.68Å; D428-R430 PolarHBondContact OD1-NE 2.82Å; D428-R430 IonicContact OD1-NH2 3.38Å; D428-R430 IonicContact OD2-CZ 3.63Å; D428-R430 IonicContact OD2-NE 2.71Å; D428-R430 PolarHBondContact OD2-NE 3.22Å; D428-R430 IonicContact OD2-NH2 3.07Å; D428-R430 PolarHBondContact OD2-NH2 2.75Å
429	V	90.7	Very high	78.3	Confident	8 Å²	8	90 Å²	90	5%	0.048	48%	0.482	C	S	.	.			trans	-103.7	-8.4	177.1	-54.9	0	0	0	0	113.1	Y395 R396 G397 L398 H406 K408 V427 S431 D432	Y395-V429 HydrophobicContact CD1-CG1 4.26Å; R396-V429 WeakPolarHBondContact O-CG2 3.31Å; R396-V429 PolarHBondContact O-N 3.34Å; G397-V429 WeakPolarHBondContact O-CG2 3.19Å; L398-V429 HydrophobicContact CB-CG1 4.45Å; L398-V429 HydrophobicContact CB-CG2 3.71Å; L398-V429 HydrophobicContact CD1-CG2 4.22Å; L398-V429 HydrophobicContact CD2-CG1 4.3Å; L398-V429 HydrophobicContact CG-CG2 4.46Å; H406-V429 VanDerWaalsContact CE1-CG1 3.49Å; H406-V429 WeakPolarHBondContact CE1-CG1 3.44Å; K408-V429 HydrophobicContact CD-CG1 4.16Å; V427-V429 HydrophobicContact CG1-CG1 4.49Å; V429-S431 PolarHBondContact O-N 3.28Å; V429-D432 PolarHBondContact O-N 3.15Å
430	R	81.8	Confident	77.7	Confident	141 Å²	141	93 Å²	93	53%	0.532	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-67.4	-24.2	-177.5	-60	172.9	-64.9	172.2	5.8	112.8	R396 D428 D432 V433	R396-R430 VanDerWaalsContact CD-CZ 3.46Å; D428-R430 VanDerWaalsContact OD1-CB 3.31Å; D428-R430 WeakPolarHBondContact OD1-CB 3.48Å; D428-R430 WeakPolarHBondContact OD1-CG 3.31Å; D428-R430 IonicContact OD1-CZ 2.73Å; D428-R430 PolarHBondContact OD1-N 2.87Å; D428-R430 IonicContact OD1-NE 2.68Å; D428-R430 PolarHBondContact OD1-NE 2.82Å; D428-R430 IonicContact OD1-NH2 3.38Å; D428-R430 IonicContact OD2-CZ 3.63Å; D428-R430 IonicContact OD2-NE 2.71Å; D428-R430 PolarHBondContact OD2-NE 3.22Å; D428-R430 IonicContact OD2-NH2 3.07Å; D428-R430 PolarHBondContact OD2-NH2 2.75Å; R430-D432 PolarHBondContact O-N 2.74Å; R430-V433 PolarHBondContact O-N 2.67Å
431	S	60.9	Low	77.1	Confident	69 Å²	69	92.1 Å²	92.1	48%	0.483	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-66.3	-14.4	177.5	59.4	0	0	0	0	114.2	V429 V433	V429-S431 PolarHBondContact O-N 3.28Å; S431-V433 VanDerWaalsContact C-N 3.32Å
432	D	58.8	Low	77.1	Confident	85 Å²	85	94.8 Å²	94.8	46%	0.455	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-90.9	-2.2	-173.7	-53.3	-16.4	0	0	0	111.7	H406 K408 V429 R430	H406-D432 IonicContact CE1-OD2 3.08Å; H406-D432 IonicContact NE2-OD2 2.69Å; K408-D432 WeakPolarHBondContact CE-OD2 3.33Å; K408-D432 IonicContact NZ-OD1 2.67Å; K408-D432 PolarHBondContact NZ-OD1 3.2Å; K408-D432 IonicContact NZ-OD2 3.52Å; K408-D432 PolarHBondContact NZ-OD2 2.93Å; V429-D432 PolarHBondContact O-N 3.15Å; R430-D432 PolarHBondContact O-N 2.74Å
433	V	44.2	Very low	76.7	Confident	130 Å²	130	90.8 Å²	90.8	79%	0.788	47%	0.469	S	S	*	.			trans	-99.1	76.1	172.6	-169.9	0	0	0	0	108.8	R430 S431	R430-V433 PolarHBondContact O-N 2.67Å; S431-V433 VanDerWaalsContact C-N 3.32Å
434	I	31.3	Very low	75.8	Confident	221 Å²	221	96.4 Å²	96.4	100%	1.133	50%	0.495	S	S	*	.			trans	-124.6	0	168.4	-59.5	180	0	0	0	109.4

Retrieved 434 of 434 residues in 404.5 ms (Link to these results)

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