A0A0U5DPH3_SCHMA Loading...

Phospholipase A protein

AlphaFold DB , UniProt , Accession A0A0U5DPH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene Phospholipase A, Length 416 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	46.2	Very low	61.9	Low	201 Å²	201	127.6 Å²	127.6	99%	0.99	62%	0.621	S	S	*	*				0	-41	0	-80.1	162.7	88.6	0	0	113.6	N3 L4 N5	M1-N3 PolarHBondContact O-N 3.43Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-N5 PolarHBondContact O-N 2.95Å
2	N	54.8	Low	62.6	Low	144 Å²	144	125.4 Å²	125.4	77%	0.77	61%	0.613	S	S	*	*	H	α-helix	trans	-59.7	-37.3	-176.9	-72.4	-1.3	0	0	0	115.5	L4 Y6	N2-L4 VanDerWaalsContact C-N 3.34Å; N2-L4 PolarHBondContact O-N 3.26Å; N2-Y6 PolarHBondContact O-N 3.39Å
3	N	55.2	Low	63.3	Low	121 Å²	121	121.5 Å²	121.5	65%	0.647	60%	0.601	S	S	*	*	H	α-helix	trans	-69.4	-29	179.4	-105	-23.5	0	0	0	113.7	M1 R7	M1-N3 PolarHBondContact O-N 3.43Å; N3-R7 WeakPolarHBondContact O-CB 3.37Å; N3-R7 VanDerWaalsContact O-CD 3.28Å; N3-R7 WeakPolarHBondContact O-CD 3.32Å; N3-R7 WeakPolarHBondContact O-CG 2.9Å; N3-R7 PolarHBondContact O-N 3.21Å
4	L	60.3	Low	63.2	Low	115 Å²	115	114.9 Å²	114.9	60%	0.602	57%	0.569	S	S	*	*	H	α-helix	trans	-78.1	-38.7	-179.4	-160.2	76.4	0	0	0	111.6	M1 N2 R7 L8	M1-L4 PolarHBondContact O-N 3.31Å; N2-L4 VanDerWaalsContact C-N 3.34Å; N2-L4 PolarHBondContact O-N 3.26Å; L4-R7 WeakPolarHBondContact O-CB 3.28Å; L4-R7 PolarHBondContact O-N 3.04Å; L4-L8 PolarHBondContact O-N 3.4Å
5	N	62.9	Low	63.5	Low	99 Å²	99	116.3 Å²	116.3	53%	0.529	57%	0.57	S	S	.	*	H	α-helix	trans	-67.1	-39	177.5	-73.8	-10.5	0	0	0	111.9	M1 L8 H9	M1-N5 PolarHBondContact O-N 2.95Å; N5-L8 PolarHBondContact O-N 3.33Å; N5-H9 PolarHBondContact O-N 3.08Å
6	Y	64	Low	63.5	Low	176 Å²	176	113.8 Å²	113.8	69%	0.69	56%	0.559	S	S	*	*	H	α-helix	trans	-66.4	-39.7	175.1	-144.1	-92	0	0	0	111.7	N2 H9 L10	N2-Y6 PolarHBondContact O-N 3.39Å; Y6-H9 PolarHBondContact O-N 3.1Å; Y6-L10 PolarHBondContact O-N 3.21Å; Y6-L10 VanDerWaalsContact O-N 3.1Å
7	R	59.1	Low	62.9	Low	121 Å²	121	110.2 Å²	110.2	46%	0.457	54%	0.543	S	S	.	.	H	α-helix	trans	-57.8	-47.9	172.6	-82.5	168.6	-175.1	-164.2	3.6	112.4	N3 L4 I11 Y36	N3-R7 WeakPolarHBondContact O-CB 3.37Å; N3-R7 VanDerWaalsContact O-CD 3.28Å; N3-R7 WeakPolarHBondContact O-CD 3.32Å; N3-R7 WeakPolarHBondContact O-CG 2.9Å; N3-R7 PolarHBondContact O-N 3.21Å; L4-R7 WeakPolarHBondContact O-CB 3.28Å; L4-R7 PolarHBondContact O-N 3.04Å; R7-I11 VanDerWaalsContact O-CG1 3.32Å; R7-I11 WeakPolarHBondContact O-CG1 3.14Å; R7-I11 PolarHBondContact O-N 3.47Å; R7-Y36 HydrophobicContact CG-CE1 4.26Å; R7-Y36 WeakPolarHBondContact CG-OH 3.37Å; R7-Y36 PolarHBondContact NE-OH 3.2Å; R7-Y36 VanDerWaalsContact NE-OH 3.08Å
8	L	67.9	Low	62.6	Low	119 Å²	119	107.9 Å²	107.9	62%	0.623	54%	0.536	S	S	*	.	H	α-helix	trans	-66	-43.2	-178.7	-130.4	84.5	0	0	0	111.7	L4 N5 L10 I11 L12	L4-L8 PolarHBondContact O-N 3.4Å; N5-L8 PolarHBondContact O-N 3.33Å; L8-L10 PolarHBondContact O-N 2.98Å; L8-I11 PolarHBondContact O-N 3.35Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 PolarHBondContact O-N 3.01Å
9	H	71	Confident	62.6	Low	132 Å²	132	108.6 Å²	108.6	61%	0.611	54%	0.541	S	S	*	.	H	α-helix	trans	-62.2	-42.4	178.5	-95	-46.3	0	0	0	112.5	N5 Y6 L12 V13	N5-H9 PolarHBondContact O-N 3.08Å; Y6-H9 PolarHBondContact O-N 3.1Å; H9-L12 PolarHBondContact O-N 3.47Å; H9-V13 VanDerWaalsContact O-CG2 3.27Å; H9-V13 WeakPolarHBondContact O-CG2 3.39Å; H9-V13 PolarHBondContact O-N 3.28Å
10	L	69.4	Low	62.4	Low	71 Å²	71	111 Å²	111	37%	0.372	55%	0.548	S	S	.	.	H	α-helix	trans	-67	-42.3	-179.6	-156.9	81.8	0	0	0	112	Y6 L8 L12 V13 L14 Y36	Y6-L10 PolarHBondContact O-N 3.21Å; Y6-L10 VanDerWaalsContact O-N 3.1Å; L8-L10 PolarHBondContact O-N 2.98Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 3.38Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3.01Å; L10-Y36 HydrophobicContact CD2-CD2 4.42Å
11	I	70	Confident	61.9	Low	105 Å²	105	111.6 Å²	111.6	54%	0.538	55%	0.548	S	S	.	.	H	α-helix	trans	-61.9	-42.3	176	-66.6	168	0	0	0	110.5	R7 L8 L14 F15	R7-I11 VanDerWaalsContact O-CG1 3.32Å; R7-I11 WeakPolarHBondContact O-CG1 3.14Å; R7-I11 PolarHBondContact O-N 3.47Å; L8-I11 PolarHBondContact O-N 3.35Å; I11-L14 PolarHBondContact O-N 3.49Å; I11-F15 WeakPolarHBondContact O-CB 3.27Å; I11-F15 PolarHBondContact O-N 3.36Å
12	L	70.3	Confident	61.7	Low	101 Å²	101	104.6 Å²	104.6	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-44.6	178	-162.2	82.3	0	0	0	111.7	L8 H9 L10 L14 F15 I16	L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 PolarHBondContact O-N 3.01Å; H9-L12 PolarHBondContact O-N 3.47Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.45Å; L12-L14 PolarHBondContact O-N 2.98Å; L12-F15 PolarHBondContact O-N 3.48Å; L12-I16 HydrophobicContact CD2-CD1 4.41Å; L12-I16 HydrophobicContact CG-CD1 4.18Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 2.98Å
13	V	71.8	Confident	61.4	Low	75 Å²	75	108.5 Å²	108.5	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-61.9	-43.3	177.4	169.9	0	0	0	0	111.1	H9 L10 F15 I16 L17	H9-V13 VanDerWaalsContact O-CG2 3.27Å; H9-V13 WeakPolarHBondContact O-CG2 3.39Å; H9-V13 PolarHBondContact O-N 3.28Å; L10-V13 PolarHBondContact O-N 3.38Å; V13-F15 VanDerWaalsContact C-N 3.35Å; V13-F15 PolarHBondContact O-N 2.75Å; V13-I16 PolarHBondContact O-N 3.41Å; V13-L17 HydrophobicContact CG1-CD1 3.86Å; V13-L17 HydrophobicContact CG1-CG 4.46Å; V13-L17 WeakPolarHBondContact O-CB 3.28Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 2.95Å
14	L	62.2	Low	61	Low	28 Å²	28	111.6 Å²	111.6	15%	0.147	54%	0.544	C	S	.	.	H	α-helix	trans	-63.4	-40	176.8	-71.1	166	0	0	0	111.9	L10 I11 L12 L17 T18 T29 L32 F33	L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3.01Å; I11-L14 PolarHBondContact O-N 3.49Å; L12-L14 PolarHBondContact O-N 2.98Å; L14-L17 PolarHBondContact O-N 3.38Å; L14-T18 PolarHBondContact O-N 3.18Å; L14-T18 VanDerWaalsContact O-N 3.07Å; L14-T18 PolarHBondContact O-OG1 3.03Å; L14-T29 HydrophobicContact CD2-CG2 4.07Å; L14-L32 HydrophobicContact CD2-CD1 4.47Å; L14-F33 HydrophobicContact CD1-CE2 4.47Å
15	F	67.1	Low	60.2	Low	136 Å²	136	109.3 Å²	109.3	60%	0.596	53%	0.529	S	S	*	.	H	α-helix	trans	-65.8	-41.8	177.6	-156.7	-97.7	0	0	0	112.1	I11 L12 V13 T18 L19	I11-F15 WeakPolarHBondContact O-CB 3.27Å; I11-F15 PolarHBondContact O-N 3.36Å; L12-F15 PolarHBondContact O-N 3.48Å; V13-F15 VanDerWaalsContact C-N 3.35Å; V13-F15 PolarHBondContact O-N 2.75Å; F15-T18 WeakPolarHBondContact CA-OG1 3.49Å; F15-T18 PolarHBondContact O-N 3.48Å; F15-T18 PolarHBondContact O-OG1 3.11Å; F15-L19 HydrophobicContact CD1-CD1 3.68Å; F15-L19 HydrophobicContact CD1-CG 4.43Å; F15-L19 HydrophobicContact CE1-CD1 3.75Å; F15-L19 HydrophobicContact CE1-CG 4.41Å; F15-L19 WeakPolarHBondContact O-CG 3.35Å; F15-L19 PolarHBondContact O-N 3.12Å; F15-L19 VanDerWaalsContact O-N 3.12Å
16	I	63.6	Low	59.5	Low	77 Å²	77	106.9 Å²	106.9	40%	0.395	52%	0.523	S	S	.	.	H	α-helix	trans	-62.9	-46.7	175	-68.2	166.8	0	0	0	110.2	L12 V13 T18 L19 F20	L12-I16 HydrophobicContact CD2-CD1 4.41Å; L12-I16 HydrophobicContact CG-CD1 4.18Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 2.98Å; V13-I16 PolarHBondContact O-N 3.41Å; I16-T18 VanDerWaalsContact C-N 3.29Å; I16-T18 PolarHBondContact O-N 3.07Å; I16-L19 PolarHBondContact O-N 3.32Å; I16-L19 VanDerWaalsContact O-N 3.11Å; I16-F20 HydrophobicContact CG2-CD2 3.69Å; I16-F20 HydrophobicContact CG2-CE2 3.95Å; I16-F20 WeakPolarHBondContact O-CD2 3.49Å; I16-F20 PolarHBondContact O-N 3.39Å
17	L	54.5	Low	58.8	Low	52 Å²	52	100.4 Å²	100.4	27%	0.272	51%	0.51	S	S	.	.	H	α-helix	trans	-60.4	-37.9	179	-72.9	167	0	0	0	112.3	V13 L14 F21 F25	V13-L17 HydrophobicContact CG1-CD1 3.86Å; V13-L17 HydrophobicContact CG1-CG 4.46Å; V13-L17 WeakPolarHBondContact O-CB 3.28Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 2.95Å; L14-L17 PolarHBondContact O-N 3.38Å; L17-F21 PolarHBondContact O-N 2.83Å; L17-F25 HydrophobicContact CD1-CE1 4.47Å; L17-F25 HydrophobicContact CD2-CE1 4.36Å; L17-F25 HydrophobicContact CD2-CZ 4.31Å
18	T	57.3	Low	58.3	Low	69 Å²	69	100.1 Å²	100.1	42%	0.423	51%	0.513	S	S	.	.	H	α-helix	trans	-69.8	-31.2	175.1	48.4	0	0	0	0	114.2	L14 F15 I16 T29	L14-T18 PolarHBondContact O-N 3.18Å; L14-T18 VanDerWaalsContact O-N 3.07Å; L14-T18 PolarHBondContact O-OG1 3.03Å; F15-T18 WeakPolarHBondContact CA-OG1 3.49Å; F15-T18 PolarHBondContact O-N 3.48Å; F15-T18 PolarHBondContact O-OG1 3.11Å; I16-T18 VanDerWaalsContact C-N 3.29Å; I16-T18 PolarHBondContact O-N 3.07Å; T18-T29 HydrophobicContact CG2-CG2 4.06Å
19	L	62.7	Low	57.6	Low	122 Å²	122	95.4 Å²	95.4	64%	0.639	49%	0.489	S	S	*	.	H	α-helix	trans	-74.7	-37.6	177.5	-79.6	165.8	0	0	0	112.3	F15 I16	F15-L19 HydrophobicContact CD1-CD1 3.68Å; F15-L19 HydrophobicContact CD1-CG 4.43Å; F15-L19 HydrophobicContact CE1-CD1 3.75Å; F15-L19 HydrophobicContact CE1-CG 4.41Å; F15-L19 WeakPolarHBondContact O-CG 3.35Å; F15-L19 PolarHBondContact O-N 3.12Å; F15-L19 VanDerWaalsContact O-N 3.12Å; I16-L19 PolarHBondContact O-N 3.32Å; I16-L19 VanDerWaalsContact O-N 3.11Å
20	F	57.5	Low	56.7	Low	156 Å²	156	92.7 Å²	92.7	68%	0.684	48%	0.476	S	S	*	.	H	α-helix	trans	-89.8	-33	-174.7	-81.3	-85	0	0	0	113.9	I16	I16-F20 HydrophobicContact CG2-CD2 3.69Å; I16-F20 HydrophobicContact CG2-CE2 3.95Å; I16-F20 WeakPolarHBondContact O-CD2 3.49Å; I16-F20 PolarHBondContact O-N 3.39Å
21	F	52.5	Low	55.9	Low	124 Å²	124	92.7 Å²	92.7	54%	0.544	48%	0.476	S	S	.	.	S	Bend	trans	-124.9	75.5	-173.1	-65.5	-85.2	0	0	0	110.6	L17 F25	L17-F21 PolarHBondContact O-N 2.83Å; F21-F25 HydrophobicContact CB-CD2 3.51Å; F21-F25 HydrophobicContact CB-CE2 3.79Å; F21-F25 HydrophobicContact CG-CD2 4.39Å; F21-F25 HydrophobicContact CG-CE2 4.18Å
22	G	41.9	Very low	55.2	Low	54 Å²	54	91.9 Å²	91.9	56%	0.557	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	148.5	178.3	0	0	0	0	0	114.2	Q24	G22-Q24 PolarHBondContact O-N 3.13Å
23	Y	47.6	Very low	54.5	Low	225 Å²	225	92.3 Å²	92.3	88%	0.882	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-44.7	173.3	-83.7	-89	0	0	0	119	F25 A26	Y23-F25 VanDerWaalsContact C-N 3.33Å; Y23-F25 PolarHBondContact O-N 3.02Å; Y23-A26 PolarHBondContact O-N 3Å
24	Q	48.4	Very low	53.7	Low	186 Å²	186	89.4 Å²	89.4	87%	0.869	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.9	-179.4	-97.1	-177.9	-20	0	0	113.3	G22	G22-Q24 PolarHBondContact O-N 3.13Å
25	F	43.8	Very low	53.2	Low	68 Å²	68	93.8 Å²	93.8	30%	0.298	48%	0.475	S	S	.	.	H	α-helix	trans	-83	-10.6	177.2	-89.3	-89.7	0	0	0	114.7	L17 F21 Y23 G27 H28 T29	L17-F25 HydrophobicContact CD1-CE1 4.47Å; L17-F25 HydrophobicContact CD2-CE1 4.36Å; L17-F25 HydrophobicContact CD2-CZ 4.31Å; F21-F25 HydrophobicContact CB-CD2 3.51Å; F21-F25 HydrophobicContact CB-CE2 3.79Å; F21-F25 HydrophobicContact CG-CD2 4.39Å; F21-F25 HydrophobicContact CG-CE2 4.18Å; Y23-F25 VanDerWaalsContact C-N 3.33Å; Y23-F25 PolarHBondContact O-N 3.02Å; F25-G27 PolarHBondContact O-N 3.48Å; F25-H28 PolarHBondContact O-N 3.37Å; F25-T29 HydrophobicContact CB-CG2 4.41Å; F25-T29 WeakPolarHBondContact O-CB 3.23Å; F25-T29 VanDerWaalsContact O-CG2 3.26Å; F25-T29 WeakPolarHBondContact O-CG2 3.41Å; F25-T29 PolarHBondContact O-N 3.43Å; F25-T29 PolarHBondContact O-OG1 3.05Å
26	A	48	Very low	52.5	Low	48 Å²	48	93 Å²	93	40%	0.397	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-29.6	-177.1	0	0	0	0	0	113	Y23 T29 K30	Y23-A26 PolarHBondContact O-N 3Å; A26-T29 WeakPolarHBondContact CA-OG1 3.44Å; A26-T29 PolarHBondContact O-OG1 3.03Å; A26-K30 WeakPolarHBondContact O-CG 3.26Å
27	G	47.9	Very low	51.9	Low	40 Å²	40	90.7 Å²	90.7	41%	0.412	46%	0.459	S	S	.	.	H	α-helix	trans	-74.1	-47.3	172.7	0	0	0	0	0	112.2	F25 T29 K30 D31	F25-G27 PolarHBondContact O-N 3.48Å; G27-T29 PolarHBondContact O-N 3.24Å; G27-K30 PolarHBondContact O-N 2.92Å; G27-D31 PolarHBondContact O-N 3.05Å
28	H	49.1	Very low	51.8	Low	115 Å²	115	93.9 Å²	93.9	53%	0.532	48%	0.476	S	S	.	.	H	α-helix	trans	-70.7	-33.4	-174.3	-139.6	2.8	0	0	0	113.1	F25 K30 D31 L32	F25-H28 PolarHBondContact O-N 3.37Å; H28-K30 VanDerWaalsContact C-N 3.34Å; H28-D31 PolarHBondContact O-N 3.42Å; H28-L32 PolarHBondContact O-N 3.21Å; H28-L32 VanDerWaalsContact O-N 3.14Å
29	T	52.4	Low	51.5	Low	20 Å²	20	98.7 Å²	98.7	12%	0.123	49%	0.494	C	S	.	.	H	α-helix	trans	-64.9	-34.9	173.9	49.2	0	0	0	0	112.4	L14 T18 F25 A26 G27 F33	L14-T29 HydrophobicContact CD2-CG2 4.07Å; T18-T29 HydrophobicContact CG2-CG2 4.06Å; F25-T29 HydrophobicContact CB-CG2 4.41Å; F25-T29 WeakPolarHBondContact O-CB 3.23Å; F25-T29 VanDerWaalsContact O-CG2 3.26Å; F25-T29 WeakPolarHBondContact O-CG2 3.41Å; F25-T29 PolarHBondContact O-N 3.43Å; F25-T29 PolarHBondContact O-OG1 3.05Å; A26-T29 WeakPolarHBondContact CA-OG1 3.44Å; A26-T29 PolarHBondContact O-OG1 3.03Å; G27-T29 PolarHBondContact O-N 3.24Å; T29-F33 WeakPolarHBondContact O-CB 3.4Å; T29-F33 PolarHBondContact O-N 3.49Å
30	K	53.7	Low	51.5	Low	74 Å²	74	95.7 Å²	95.7	32%	0.322	48%	0.478	S	S	.	.	H	α-helix	trans	-67.1	-43.8	175.9	-73.1	178.2	-177.4	-173.8	0	112.3	A26 G27 H28 F33 L34 F148	A26-K30 WeakPolarHBondContact O-CG 3.26Å; G27-K30 PolarHBondContact O-N 2.92Å; H28-K30 VanDerWaalsContact C-N 3.34Å; K30-F33 WeakPolarHBondContact O-CB 3.42Å; K30-F33 PolarHBondContact O-N 2.91Å; K30-L34 PolarHBondContact O-N 3.12Å; K30-L34 VanDerWaalsContact O-N 3.09Å; K30-F148 HydrophobicContact CB-CD1 4.46Å; K30-F148 HydrophobicContact CB-CE1 3.85Å; K30-F148 HydrophobicContact CB-CZ 3.92Å; K30-F148 HydrophobicContact CD-CD1 4.14Å; K30-F148 HydrophobicContact CD-CD2 4.03Å; K30-F148 HydrophobicContact CD-CE1 4.21Å; K30-F148 HydrophobicContact CD-CE2 4.1Å; K30-F148 HydrophobicContact CD-CG 4.05Å; K30-F148 HydrophobicContact CD-CZ 4.2Å
31	D	52.8	Low	52.5	Low	72 Å²	72	92.2 Å²	92.2	39%	0.385	47%	0.466	S	S	.	.	H	α-helix	trans	-63.9	-43.7	177.8	-72.5	-17.2	0	0	0	112.1	G27 H28 F33 L34 N35	G27-D31 PolarHBondContact O-N 3.05Å; H28-D31 PolarHBondContact O-N 3.42Å; D31-F33 VanDerWaalsContact C-N 3.3Å; D31-F33 PolarHBondContact O-N 3.46Å; D31-L34 PolarHBondContact O-N 3.24Å; D31-N35 PolarHBondContact O-N 2.97Å
32	L	55.4	Low	54.3	Low	88 Å²	88	86.4 Å²	86.4	46%	0.461	44%	0.441	S	S	.	.	H	α-helix	trans	-62	-36.6	174.2	-89.3	152.7	0	0	0	112.1	L14 H28 N35 Y36	L14-L32 HydrophobicContact CD2-CD1 4.47Å; H28-L32 PolarHBondContact O-N 3.21Å; H28-L32 VanDerWaalsContact O-N 3.14Å; L32-N35 PolarHBondContact O-N 2.96Å; L32-Y36 PolarHBondContact O-N 2.89Å
33	F	55.2	Low	56.9	Low	109 Å²	109	84.5 Å²	84.5	48%	0.478	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-43.5	175.7	-119.7	-91.2	0	0	0	112.1	L14 T29 K30 D31 N35 Y36 V37	L14-F33 HydrophobicContact CD1-CE2 4.47Å; T29-F33 WeakPolarHBondContact O-CB 3.4Å; T29-F33 PolarHBondContact O-N 3.49Å; K30-F33 WeakPolarHBondContact O-CB 3.42Å; K30-F33 PolarHBondContact O-N 2.91Å; D31-F33 VanDerWaalsContact C-N 3.3Å; D31-F33 PolarHBondContact O-N 3.46Å; F33-N35 VanDerWaalsContact C-N 3.3Å; F33-N35 PolarHBondContact O-N 3.35Å; F33-Y36 PolarHBondContact O-N 3.04Å; F33-V37 HydrophobicContact CD1-CG2 4.05Å; F33-V37 VanDerWaalsContact O-CG2 3.23Å; F33-V37 WeakPolarHBondContact O-CG2 3.34Å; F33-V37 PolarHBondContact O-N 3.38Å; F33-V37 VanDerWaalsContact O-N 3.13Å
34	L	54.5	Low	59.3	Low	15 Å²	15	73.8 Å²	73.8	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-65.1	-32.2	-179.8	-74.2	176	0	0	0	113.1	K30 D31 Y36 F143 F148 T149 N181	K30-L34 PolarHBondContact O-N 3.12Å; K30-L34 VanDerWaalsContact O-N 3.09Å; D31-L34 PolarHBondContact O-N 3.24Å; L34-Y36 PolarHBondContact O-N 3.3Å; L34-F143 HydrophobicContact CD2-CD2 3.54Å; L34-F143 HydrophobicContact CD2-CE2 3.98Å; L34-F143 HydrophobicContact CD2-CG 4.42Å; L34-F148 HydrophobicContact CD1-CE1 3.85Å; L34-T149 HydrophobicContact CD1-CG2 4.48Å; L34-N181 WeakPolarHBondContact CD1-O 3.35Å
35	N	52.4	Low	61.7	Low	119 Å²	119	65 Å²	65	64%	0.636	34%	0.335	S	S	*	.	H	α-helix	trans	-69.4	-18.6	173.2	-72.2	-25.2	0	0	0	112.9	D31 L32 F33	D31-N35 PolarHBondContact O-N 2.97Å; L32-N35 PolarHBondContact O-N 2.96Å; F33-N35 VanDerWaalsContact C-N 3.3Å; F33-N35 PolarHBondContact O-N 3.35Å
36	Y	52.5	Low	64.4	Low	121 Å²	121	61.7 Å²	61.7	48%	0.475	32%	0.32	S	S	.	.	H	α-helix	trans	-100.3	-13.6	-178.3	-155.4	-99.4	0	0	0	113.9	R7 L10 L32 F33 L34	R7-Y36 HydrophobicContact CG-CE1 4.26Å; R7-Y36 WeakPolarHBondContact CG-OH 3.37Å; R7-Y36 PolarHBondContact NE-OH 3.2Å; R7-Y36 VanDerWaalsContact NE-OH 3.08Å; L10-Y36 HydrophobicContact CD2-CD2 4.42Å; L32-Y36 PolarHBondContact O-N 2.89Å; F33-Y36 PolarHBondContact O-N 3.04Å; L34-Y36 PolarHBondContact O-N 3.3Å
37	V	51	Low	66.8	Low	28 Å²	28	59.4 Å²	59.4	17%	0.17	30%	0.302	C	S	.	.	S	Bend	trans	-94.1	109.1	-173.7	172	0	0	0	0	111.2	F33 K142	F33-V37 HydrophobicContact CD1-CG2 4.05Å; F33-V37 VanDerWaalsContact O-CG2 3.23Å; F33-V37 WeakPolarHBondContact O-CG2 3.34Å; F33-V37 PolarHBondContact O-N 3.38Å; F33-V37 VanDerWaalsContact O-N 3.13Å; V37-K142 HydrophobicContact CG1-CB 3.79Å; V37-K142 HydrophobicContact CG2-CB 4.22Å; V37-K142 HydrophobicContact CG2-CD 4.48Å
38	D	50.8	Low	69.2	Low	119 Å²	119	57.5 Å²	57.5	64%	0.636	28%	0.282	S	S	*	.			trans	54.3	137.7	155.6	-105.8	-25.8	0	0	0	119.8	N40	D38-N40 PolarHBondContact O-N 2.96Å
39	E	51.7	Low	71.6	Confident	170 Å²	170	52.1 Å²	52.1	79%	0.794	26%	0.257	S	S	*	.	S	Bend	trans	-59.2	-11.8	177.6	-69.3	174.4	167.4	0	0	113.7	I41 T412	E39-I41 PolarHBondContact O-N 3.49Å; E39-T412 PolarHBondContact O-OG1 3.19Å
40	N	62.5	Low	73.7	Confident	58 Å²	58	51.2 Å²	51.2	31%	0.31	25%	0.252	S	S	.	.	S	Bend	trans	-87.8	105.7	179.3	-70.6	-29	0	0	0	112.1	D38 S42 T410 S411 T412	D38-N40 PolarHBondContact O-N 2.96Å; N40-S42 PolarHBondContact O-N 3.3Å; N40-S42 VanDerWaalsContact O-N 3.12Å; N40-S42 PolarHBondContact O-OG 3.09Å; N40-T410 WeakPolarHBondContact CA-O 3.32Å; N40-T410 WeakPolarHBondContact CB-O 3.42Å; N40-T410 PolarHBondContact OD1-O 3.17Å; N40-S411 WeakPolarHBondContact OD1-CA 3.46Å; N40-T412 PolarHBondContact OD1-N 3.14Å
41	I	77.9	Confident	75.7	Confident	84 Å²	84	50.9 Å²	50.9	43%	0.431	25%	0.253	S	S	.	.			trans	-61.1	118.9	176	-55.4	173	0	0	0	108.7	E39 T410	E39-I41 PolarHBondContact O-N 3.49Å; I41-T410 WeakPolarHBondContact CB-OG1 3.44Å; I41-T410 PolarHBondContact O-N 2.96Å; I41-T410 PolarHBondContact O-OG1 2.99Å
42	S	91.7	Very high	77.6	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.014	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-115.6	140.4	-179.5	-59.5	0	0	0	0	110.9	N40 F143 R185 V408	N40-S42 PolarHBondContact O-N 3.3Å; N40-S42 VanDerWaalsContact O-N 3.12Å; N40-S42 PolarHBondContact O-OG 3.09Å; S42-F143 VanDerWaalsContact CB-CG 3.46Å; S42-F143 WeakPolarHBondContact O-CE2 3.45Å; S42-F143 WeakPolarHBondContact O-CZ 3.48Å; S42-R185 WeakPolarHBondContact O-CD 3.37Å; S42-R185 PolarHBondContact O-NH1 3.49Å; S42-V408 CarbonylContact C-O 3.46Å; S42-V408 WeakPolarHBondContact CA-O 3.48Å
43	N	96.8	Very high	79.4	Confident	14 Å²	14	43.6 Å²	43.6	8%	0.075	22%	0.216	C	C	.	.			trans	-100.5	138.7	177.9	-69.5	98.1	0	0	0	110.7	F143 F144 P186 V188 K216 V408	N43-F143 VanDerWaalsContact C-CE1 3.47Å; N43-F144 WeakPolarHBondContact O-CE1 3.46Å; N43-P186 WeakPolarHBondContact CB-O 3.45Å; N43-P186 PolarHBondContact ND2-O 3.35Å; N43-V188 HydrophobicContact CB-CG2 4.26Å; N43-K216 HydrophobicContact CB-CD 3.78Å; N43-K216 WeakPolarHBondContact OD1-CD 3.49Å; N43-K216 PolarHBondContact OD1-NZ 3.32Å; N43-V408 PolarHBondContact N-O 3.09Å
44	P	98	Very high	81.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.			trans	-71	161.1	177.2	36.8	-40.8	0	0	0	111	F143 T149 T178 A182 V187 V188	P44-F143 HydrophobicContact CB-CE1 4.33Å; P44-F143 HydrophobicContact CB-CZ 4.28Å; P44-T149 CarbonylContact C-O 3.56Å; P44-T149 VanDerWaalsContact CA-O 3.27Å; P44-T149 WeakPolarHBondContact CA-O 3.45Å; P44-T149 HydrophobicContact CB-CG2 4.48Å; P44-T149 WeakPolarHBondContact CB-O 3.28Å; P44-T178 HydrophobicContact CB-CG2 3.52Å; P44-T178 HydrophobicContact CG-CG2 3.86Å; P44-A182 HydrophobicContact CB-CB 3.76Å; P44-A182 HydrophobicContact CG-CB 3.41Å; P44-A182 VanDerWaalsContact CG-CB 3.41Å; P44-V187 HydrophobicContact CG-CB 4.35Å; P44-V187 HydrophobicContact CG-CG1 4.47Å; P44-V187 HydrophobicContact CG-CG2 3.91Å; P44-V188 PolarHBondContact O-N 3.47Å
45	I	98.7	Very high	83.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.9	-175	-172.4	169.8	0	0	0	111.5	L47 L138 F144 T149 L150 R151 V188 L190 V404 V408	I45-L47 HydrophobicContact CD1-CD2 3.85Å; I45-L47 HydrophobicContact CG1-CD2 3.98Å; I45-L138 HydrophobicContact CG2-CD1 3.94Å; I45-F144 HydrophobicContact CG2-CD1 4.2Å; I45-F144 HydrophobicContact CG2-CE1 4.11Å; I45-T149 PolarHBondContact N-O 3.24Å; I45-L150 HydrophobicContact CG2-CD1 3.49Å; I45-L150 VanDerWaalsContact CG2-CD1 3.49Å; I45-R151 PolarHBondContact O-N 3.09Å; I45-V188 WeakPolarHBondContact CA-O 3.33Å; I45-V188 HydrophobicContact CB-CB 4.26Å; I45-V188 HydrophobicContact CD1-CB 4.49Å; I45-V188 HydrophobicContact CD1-CG1 4.03Å; I45-V188 HydrophobicContact CG1-CB 4.08Å; I45-V188 HydrophobicContact CG1-CG1 4.03Å; I45-L190 HydrophobicContact CD1-CB 4.03Å; I45-L190 HydrophobicContact CD1-CD1 3.9Å; I45-L190 HydrophobicContact CG1-CB 4.37Å; I45-V404 HydrophobicContact CD1-CG1 4Å; I45-V408 HydrophobicContact CD1-CG1 4.25Å
46	I	98.9	Very high	85.3	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.9	170.7	-58.7	171.2	0	0	0	108.2	I48 R151 A153 L171 L174 V175 T178 V187 V188 L189 L190	I46-I48 HydrophobicContact CG2-CD1 4.14Å; I46-I48 WeakPolarHBondContact O-CD1 3.48Å; I46-R151 WeakPolarHBondContact CA-O 3.36Å; I46-R151 HydrophobicContact CG1-CB 4.04Å; I46-R151 HydrophobicContact CG1-CG 4.42Å; I46-A153 HydrophobicContact CG2-CB 4.1Å; I46-L171 HydrophobicContact CG2-CD1 4.29Å; I46-L174 HydrophobicContact CD1-CD2 4.22Å; I46-L174 HydrophobicContact CD1-CG 3.93Å; I46-L174 HydrophobicContact CG2-CD2 3.9Å; I46-V175 HydrophobicContact CD1-CB 4.28Å; I46-V175 HydrophobicContact CD1-CG2 3.58Å; I46-T178 HydrophobicContact CG1-CG2 4.34Å; I46-V187 HydrophobicContact CD1-CG1 3.82Å; I46-V187 HydrophobicContact CG1-CG1 3.81Å; I46-V188 PolarHBondContact N-O 3.04Å; I46-L189 HydrophobicContact CB-CD2 3.8Å; I46-L189 HydrophobicContact CD1-CD2 3.95Å; I46-L189 HydrophobicContact CG1-CD2 4.29Å; I46-L189 HydrophobicContact CG2-CD2 4.43Å; I46-L190 PolarHBondContact O-N 3.46Å
47	L	98.9	Very high	87.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.7	179.1	-52.9	178.8	0	0	0	110	I45 I117 F131 L134 V135 L150 R151 G152 A153 L190	I45-L47 HydrophobicContact CD1-CD2 3.85Å; I45-L47 HydrophobicContact CG1-CD2 3.98Å; L47-I117 HydrophobicContact CB-CD1 3.77Å; L47-F131 HydrophobicContact CB-CD1 4.4Å; L47-F131 HydrophobicContact CB-CD2 4.42Å; L47-F131 HydrophobicContact CB-CE1 4.26Å; L47-F131 HydrophobicContact CB-CE2 4.25Å; L47-F131 HydrophobicContact CB-CG 4.47Å; L47-F131 HydrophobicContact CB-CZ 4.17Å; L47-F131 HydrophobicContact CD1-CB 4.08Å; L47-F131 HydrophobicContact CD1-CD1 3.92Å; L47-F131 HydrophobicContact CD1-CE1 4.5Å; L47-F131 HydrophobicContact CD1-CG 3.99Å; L47-F131 HydrophobicContact CD2-CD1 4.43Å; L47-F131 HydrophobicContact CD2-CE1 4.31Å; L47-F131 HydrophobicContact CG-CD1 4.49Å; L47-L134 HydrophobicContact CD1-CD2 4.48Å; L47-L134 HydrophobicContact CD2-CD2 3.82Å; L47-V135 HydrophobicContact CD1-CG2 3.62Å; L47-L150 HydrophobicContact CD1-CD1 4.05Å; L47-L150 HydrophobicContact CG-CD1 4.32Å; L47-R151 PolarHBondContact N-O 3.45Å; L47-G152 WeakPolarHBondContact O-CA 3.33Å; L47-A153 PolarHBondContact O-N 2.92Å; L47-L190 WeakPolarHBondContact CA-O 3.39Å; L47-L190 HydrophobicContact CD2-CB 4.1Å; L47-L190 HydrophobicContact CD2-CD1 4.25Å; L47-L190 HydrophobicContact CD2-CD2 4.27Å; L47-L190 HydrophobicContact CD2-CG 4.45Å
48	I	98.7	Very high	89.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.6	179.9	-53.5	84.2	0	0	0	108.6	I46 A153 Y155 F167 L189 L190 G191 H192	I46-I48 HydrophobicContact CG2-CD1 4.14Å; I46-I48 WeakPolarHBondContact O-CD1 3.48Å; I48-A153 HydrophobicContact CG1-CB 4.19Å; I48-Y155 HydrophobicContact CG2-CE1 3.99Å; I48-F167 HydrophobicContact CG2-CZ 4.28Å; I48-L189 HydrophobicContact CD1-CB 4.37Å; I48-L189 HydrophobicContact CD1-CD2 4.42Å; I48-L190 WeakPolarHBondContact CD1-O 3.29Å; I48-L190 PolarHBondContact N-O 3.3Å; I48-G191 WeakPolarHBondContact O-CA 3.48Å; I48-H192 PolarHBondContact O-N 3.42Å
49	P	98.3	Very high	91.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.125	C	C	.	.			trans	-72.2	161.2	-176.9	32.5	-37.2	0	0	0	113	G53 I117 Y130 F131 A153 Y155 G195	P49-G53 WeakPolarHBondContact CB-O 3.49Å; P49-I117 HydrophobicContact CB-CG2 4.09Å; P49-I117 HydrophobicContact CG-CG2 3.86Å; P49-Y130 HydrophobicContact CB-CE1 3.75Å; P49-F131 HydrophobicContact CB-CE2 4.15Å; P49-A153 WeakPolarHBondContact CD-O 3.32Å; P49-Y155 HydrophobicContact CG-CD1 4.15Å; P49-Y155 HydrophobicContact CG-CE1 3.93Å; P49-Y155 VanDerWaalsContact O-CE1 3.24Å; P49-Y155 WeakPolarHBondContact O-CE1 3.24Å; P49-Y155 PolarHBondContact O-OH 3.22Å; P49-Y155 VanDerWaalsContact O-OH 3.05Å; P49-G195 WeakPolarHBondContact O-CA 3.39Å; P49-G195 PolarHBondContact O-N 2.77Å
50	G	97.4	Very high	93.7	Very high	1 Å²	1	19 Å²	19	1%	0.01	10%	0.097	C	C	.	.			trans	-89.7	-167.3	172.8	0	0	0	0	0	113.4	G52 G53 Y130 H192	G50-G52 PolarHBondContact O-N 3.26Å; G50-G53 WeakPolarHBondContact O-CA 3.41Å; G50-G53 PolarHBondContact O-N 3.22Å; G50-Y130 PolarHBondContact N-OH 2.98Å; G50-H192 WeakPolarHBondContact CA-O 3.26Å; G50-H192 PolarHBondContact N-O 3.3Å
51	L	95.3	Very high	95.1	Very high	68 Å²	68	21.6 Å²	21.6	36%	0.356	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	125	175.4	-172.1	127.8	0	0	0	111	G53 F157 M194 S260 I261	L51-G53 PolarHBondContact O-N 3.4Å; L51-F157 HydrophobicContact CG-CD2 4.46Å; L51-M194 HydrophobicContact CB-CB 4.48Å; L51-M194 HydrophobicContact CB-CE 4Å; L51-M194 HydrophobicContact CD1-CE 4.11Å; L51-M194 HydrophobicContact CD1-SD 4.3Å; L51-M194 HydrophobicContact CG-CE 4.45Å; L51-S260 VanDerWaalsContact CD1-OG 3.23Å; L51-S260 WeakPolarHBondContact CD1-OG 3.26Å; L51-I261 HydrophobicContact CD1-CG1 3.6Å; L51-I261 HydrophobicContact CD2-CD1 4.5Å; L51-I261 HydrophobicContact CD2-CG1 4.26Å
52	G	93.1	Very high	95.5	Very high	6 Å²	6	26.6 Å²	26.6	6%	0.062	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	2.7	-175.7	0	0	0	0	0	114.9	G50 T54 W71	G50-G52 PolarHBondContact O-N 3.26Å; G52-T54 VanDerWaalsContact C-N 3.27Å; G52-T54 PolarHBondContact O-N 3.32Å; G52-W71 PolarHBondContact O-NE1 3.41Å
53	G	94	Very high	95	Very high	1 Å²	1	29 Å²	29	1%	0.01	14%	0.144	C	C	.	.			trans	-83.7	17.9	-170.9	0	0	0	0	0	115.7	P49 G50 L51 L120 Y130	P49-G53 WeakPolarHBondContact CB-O 3.49Å; G50-G53 WeakPolarHBondContact O-CA 3.41Å; G50-G53 PolarHBondContact O-N 3.22Å; L51-G53 PolarHBondContact O-N 3.4Å; G53-L120 WeakPolarHBondContact O-CD2 3.36Å; G53-Y130 WeakPolarHBondContact O-CD1 3.43Å; G53-Y130 WeakPolarHBondContact O-CE1 3.25Å
54	T	94.6	Very high	94.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-140.1	152.4	171	176.5	0	0	0	0	110.4	G52 F108 S116 P154 Y155 F157	G52-T54 VanDerWaalsContact C-N 3.27Å; G52-T54 PolarHBondContact O-N 3.32Å; T54-F108 HydrophobicContact CG2-CD1 3.71Å; T54-F108 HydrophobicContact CG2-CE1 4.29Å; T54-S116 WeakPolarHBondContact CA-O 3.45Å; T54-P154 HydrophobicContact CG2-CB 4.31Å; T54-P154 WeakPolarHBondContact OG1-CB 3.24Å; T54-Y155 VanDerWaalsContact CG2-O 3.31Å; T54-Y155 WeakPolarHBondContact CG2-O 3.43Å; T54-F157 HydrophobicContact CG2-CD1 3.6Å; T54-F157 HydrophobicContact CG2-CE1 4.07Å
55	Q	94.7	Very high	93.5	Very high	17 Å²	17	40 Å²	40	8%	0.079	20%	0.195	C	C	.	.			trans	-58	147.3	165.9	-65.6	174.2	5.5	0	0	110.8	Y57 S116 Y119	Q55-Y57 HydrophobicContact CB-CE2 4.07Å; Q55-S116 PolarHBondContact N-O 3.46Å; Q55-Y119 WeakPolarHBondContact CG-O 3.35Å; Q55-Y119 PolarHBondContact NE2-O 3.45Å
56	A	95.4	Very high	93.3	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.025	23%	0.231	C	C	.	.			trans	-137.9	142.6	171.7	0	0	0	0	0	110.5	I70 W71 F87 I107 F108	A56-I70 HydrophobicContact CB-CG2 4.21Å; A56-I70 WeakPolarHBondContact O-CG2 3.28Å; A56-I70 PolarHBondContact O-N 2.75Å; A56-W71 HydrophobicContact CB-CB 3.79Å; A56-W71 PolarHBondContact O-N 3.44Å; A56-F87 HydrophobicContact CB-CE2 3.58Å; A56-F87 HydrophobicContact CB-CZ 3.85Å; A56-I107 WeakPolarHBondContact CA-O 3.19Å; A56-F108 HydrophobicContact CB-CD1 3.93Å; A56-F108 HydrophobicContact CB-CE1 3.56Å; A56-F108 HydrophobicContact CB-CZ 4.09Å
57	Y	95.4	Very high	93	Very high	44 Å²	44	52 Å²	52	17%	0.173	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	155	-177.7	-70.3	-104.6	0	0	0	110.2	Q55 F68 P69 V106 I107 P109 T122	Q55-Y57 HydrophobicContact CB-CE2 4.07Å; Y57-F68 CarbonylContact C-O 3.58Å; Y57-F68 VanDerWaalsContact CA-O 3.3Å; Y57-F68 WeakPolarHBondContact CA-O 3Å; Y57-P69 HydrophobicContact CD1-CB 4.45Å; Y57-P69 HydrophobicContact CE1-CB 4.24Å; Y57-V106 WeakPolarHBondContact O-CA 3.17Å; Y57-I107 PolarHBondContact N-O 2.86Å; Y57-I107 PolarHBondContact O-N 3.44Å; Y57-P109 HydrophobicContact CD2-CG 3.77Å; Y57-P109 HydrophobicContact CE2-CG 3.64Å; Y57-T122 HydrophobicContact CE1-CG2 4.42Å; Y57-T122 WeakPolarHBondContact OH-CG2 3.22Å
58	C	95.5	Very high	92.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.6	174.7	175.4	0	0	0	0	110	E67 F68 I70 C104	C58-E67 WeakPolarHBondContact O-CA 3.47Å; C58-F68 HydrophobicContact CB-CD2 4.17Å; C58-F68 HydrophobicContact CB-CE1 4.27Å; C58-F68 HydrophobicContact CB-CE2 3.57Å; C58-F68 HydrophobicContact CB-CZ 3.64Å; C58-F68 PolarHBondContact N-O 2.98Å; C58-F68 VanDerWaalsContact O-CD1 3.3Å; C58-F68 WeakPolarHBondContact O-CD1 3.37Å; C58-F68 WeakPolarHBondContact O-CE1 3.16Å; C58-F68 PolarHBondContact O-N 3.48Å; C58-F68 WeakPolarHBondContact SG-CZ 3.41Å; C58-I70 HydrophobicContact CB-CB 3.87Å; C58-I70 HydrophobicContact CB-CG1 4.28Å; C58-I70 HydrophobicContact CB-CG2 4.07Å; C58-C104 VanDerWaalsContact C-SG 3.55Å; C58-C104 WeakPolarHBondContact CA-SG 3.48Å; C58-C104 HydrophobicContact CB-CB 4.37Å; C58-C104 WeakPolarHBondContact CB-SG 3.43Å; C58-C104 WeakPolarHBondContact SG-CB 3.44Å; C58-C104 CovalentContact SG-SG 2.01Å; C58-C104 PolarHBondContact SG-SG 3.02Å
59	Q	96	Very high	92.5	Very high	61 Å²	61	55.5 Å²	55.5	29%	0.285	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119	164.5	-172.5	177.4	32.5	0	0	108.3	E67 C104 K105 I107	Q59-E67 HydrophobicContact CB-CG 4.17Å; Q59-E67 HydrophobicContact CG-CG 4.48Å; Q59-C104 PolarHBondContact N-SG 2.92Å; Q59-C104 CarbonylContact O-C 3.56Å; Q59-C104 WeakPolarHBondContact O-CA 3.21Å; Q59-C104 PolarHBondContact O-SG 2.73Å; Q59-C104 VanDerWaalsContact O-SG 3.38Å; Q59-K105 HydrophobicContact CB-CB 4.41Å; Q59-K105 PolarHBondContact N-O 2.83Å; Q59-K105 PolarHBondContact O-N 3.15Å; Q59-I107 HydrophobicContact CB-CD1 4.37Å
60	L	95.3	Very high	92.2	Very high	40 Å²	40	55.4 Å²	55.4	21%	0.209	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	139	179.5	-59.4	174.9	0	0	0	110	S63 S65 F68 Y86 A103	L60-S63 WeakPolarHBondContact CB-OG 3.35Å; L60-S65 WeakPolarHBondContact CB-OG 3.16Å; L60-S65 PolarHBondContact N-OG 2.84Å; L60-F68 HydrophobicContact CD1-CE1 4.48Å; L60-F68 HydrophobicContact CD2-CE1 4.36Å; L60-F68 HydrophobicContact CD2-CZ 4.16Å; L60-F68 HydrophobicContact CG-CE1 4Å; L60-F68 HydrophobicContact CG-CZ 4.3Å; L60-Y86 HydrophobicContact CD2-CD1 4.13Å; L60-Y86 HydrophobicContact CD2-CD2 4.47Å; L60-Y86 HydrophobicContact CD2-CE1 3.75Å; L60-Y86 HydrophobicContact CD2-CE2 4.11Å; L60-Y86 HydrophobicContact CD2-CG 4.49Å; L60-A103 WeakPolarHBondContact CA-O 3.39Å
61	K	92.1	Very high	91.9	Very high	112 Å²	112	56.4 Å²	56.4	49%	0.487	28%	0.277	S	S	.	.	S	Bend	trans	-79.2	-37.5	-179.1	-62.7	-169.4	-167.9	151.1	0	112.6	T101 D102 A103 C104	K61-T101 PolarHBondContact NZ-O 3.16Å; K61-D102 VanDerWaalsContact CD-O 3.26Å; K61-D102 WeakPolarHBondContact CD-O 3.17Å; K61-A103 PolarHBondContact N-O 2.91Å; K61-C104 WeakPolarHBondContact CE-O 3.43Å
62	E	87.8	Confident	91.3	Very high	189 Å²	189	55 Å²	55	88%	0.883	27%	0.269	S	S	*	.	S	Bend	trans	-79.4	-22	-174.3	-65.1	-179.1	172.6	0	0	113.6
63	S	80.3	Confident	90.9	Very high	53 Å²	53	56.1 Å²	56.1	37%	0.371	27%	0.274	S	S	.	.	S	Bend	trans	-117.2	144.1	176.8	66	0	0	0	0	109.3	L60 S65	L60-S63 WeakPolarHBondContact CB-OG 3.35Å; S63-S65 PolarHBondContact O-N 2.64Å; S63-S65 WeakPolarHBondContact OG-CB 3.33Å
64	K	77.8	Confident	90.4	Very high	221 Å²	221	62 Å²	62	96%	0.961	30%	0.304	S	S	*	.			trans	-69.3	51.4	167	-68.1	-176.2	178.1	179.3	0	111.2
65	S	86.4	Confident	90	Very high	24 Å²	24	67.2 Å²	67.2	17%	0.168	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-70	148.6	179.5	62.6	0	0	0	0	110.3	L60 S63	L60-S65 WeakPolarHBondContact CB-OG 3.16Å; L60-S65 PolarHBondContact N-OG 2.84Å; S63-S65 PolarHBondContact O-N 2.64Å; S63-S65 WeakPolarHBondContact OG-CB 3.33Å
66	N	93	Very high	89.7	Confident	143 Å²	143	67.6 Å²	67.6	77%	0.765	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-65.7	153.8	163.8	-65.6	-31.1	0	0	0	110.5
67	E	93.9	Very high	89.2	Confident	107 Å²	107	67.9 Å²	67.9	50%	0.5	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-62.4	136.5	171.1	-63.9	176.4	-172	0	0	110.4	C58 Q59 I107	C58-E67 WeakPolarHBondContact O-CA 3.47Å; Q59-E67 HydrophobicContact CB-CG 4.17Å; Q59-E67 HydrophobicContact CG-CG 4.48Å; E67-I107 HydrophobicContact CG-CD1 4Å; E67-I107 WeakPolarHBondContact OE1-CD1 3.32Å
68	F	93.2	Very high	88.8	Confident	39 Å²	39	68.7 Å²	68.7	17%	0.171	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149	175.8	58.4	-93.6	0	0	0	111.8	Y57 C58 L60 I70 Y76 Y86	Y57-F68 CarbonylContact C-O 3.58Å; Y57-F68 VanDerWaalsContact CA-O 3.3Å; Y57-F68 WeakPolarHBondContact CA-O 3Å; C58-F68 HydrophobicContact CB-CD2 4.17Å; C58-F68 HydrophobicContact CB-CE1 4.27Å; C58-F68 HydrophobicContact CB-CE2 3.57Å; C58-F68 HydrophobicContact CB-CZ 3.64Å; C58-F68 PolarHBondContact N-O 2.98Å; C58-F68 VanDerWaalsContact O-CD1 3.3Å; C58-F68 WeakPolarHBondContact O-CD1 3.37Å; C58-F68 WeakPolarHBondContact O-CE1 3.16Å; C58-F68 PolarHBondContact O-N 3.48Å; C58-F68 WeakPolarHBondContact SG-CZ 3.41Å; L60-F68 HydrophobicContact CD1-CE1 4.48Å; L60-F68 HydrophobicContact CD2-CE1 4.36Å; L60-F68 HydrophobicContact CD2-CZ 4.16Å; L60-F68 HydrophobicContact CG-CE1 4Å; L60-F68 HydrophobicContact CG-CZ 4.3Å; F68-I70 HydrophobicContact CE2-CD1 4.13Å; F68-I70 PolarHBondContact O-N 2.93Å; F68-Y76 AromaticContact CD2-CE2 3.99Å; F68-Y76 HydrophobicContact CD2-CE2 3.99Å; F68-Y76 AromaticContact CD2-CZ 3.85Å; F68-Y76 VanDerWaalsContact CD2-OH 3.22Å; F68-Y76 WeakPolarHBondContact CD2-OH 3.42Å; F68-Y76 HydrophobicContact CE2-CE1 4.25Å; F68-Y76 HydrophobicContact CE2-CE2 4.03Å; F68-Y76 AromaticContact CE2-CZ 3.51Å; F68-Y76 WeakPolarHBondContact CE2-OH 3.48Å; F68-Y86 HydrophobicContact CE2-CD2 4.44Å; F68-Y86 HydrophobicContact CZ-CD2 4.25Å; F68-Y86 HydrophobicContact CZ-CE2 4.34Å
69	P	92.8	Very high	88.6	Confident	35 Å²	35	71.4 Å²	71.4	23%	0.227	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	126.7	179	27.8	-34	0	0	0	110.6	Y57 N73 T122	Y57-P69 HydrophobicContact CD1-CB 4.45Å; Y57-P69 HydrophobicContact CE1-CB 4.24Å; P69-N73 PolarHBondContact O-ND2 2.85Å; P69-T122 HydrophobicContact CB-CG2 4.13Å; P69-T122 HydrophobicContact CG-CG2 4.4Å
70	I	92.5	Very high	88.4	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.336	C	S	.	.			trans	-109.3	-34.4	-177	-171.7	65.4	0	0	0	112.5	A56 C58 F68 Y76 L83 Y86 F87	A56-I70 HydrophobicContact CB-CG2 4.21Å; A56-I70 WeakPolarHBondContact O-CG2 3.28Å; A56-I70 PolarHBondContact O-N 2.75Å; C58-I70 HydrophobicContact CB-CB 3.87Å; C58-I70 HydrophobicContact CB-CG1 4.28Å; C58-I70 HydrophobicContact CB-CG2 4.07Å; F68-I70 HydrophobicContact CE2-CD1 4.13Å; F68-I70 PolarHBondContact O-N 2.93Å; I70-Y76 HydrophobicContact CD1-CD1 3.53Å; I70-Y76 HydrophobicContact CD1-CD2 3.68Å; I70-Y76 HydrophobicContact CD1-CE1 3.74Å; I70-Y76 HydrophobicContact CD1-CE2 3.89Å; I70-Y76 HydrophobicContact CD1-CG 3.5Å; I70-L83 HydrophobicContact CD1-CD1 4Å; I70-L83 HydrophobicContact CG1-CD1 3.89Å; I70-Y86 HydrophobicContact CD1-CD2 4.18Å; I70-F87 HydrophobicContact CG1-CB 3.89Å; I70-F87 HydrophobicContact CG1-CD2 4.33Å; I70-F87 HydrophobicContact CG1-CG 4.25Å; I70-F87 HydrophobicContact CG2-CD2 3.59Å; I70-F87 HydrophobicContact CG2-CE2 3.93Å; I70-F87 HydrophobicContact CG2-CG 4.24Å
71	W	90.5	Very high	88.3	Confident	22 Å²	22	71.6 Å²	71.6	8%	0.083	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	137.2	-177.3	-177.9	-124.1	0	0	0	112.3	G52 A56 N73 F87 F157	G52-W71 PolarHBondContact O-NE1 3.41Å; A56-W71 HydrophobicContact CB-CB 3.79Å; A56-W71 PolarHBondContact O-N 3.44Å; W71-N73 PolarHBondContact O-N 3.44Å; W71-F87 HydrophobicContact CB-CZ 4.31Å; W71-F87 HydrophobicContact CD2-CE1 4.21Å; W71-F87 HydrophobicContact CE3-CD1 4.19Å; W71-F87 AromaticContact CE3-CE1 3.6Å; W71-F87 HydrophobicContact CE3-CE1 3.6Å; W71-F87 HydrophobicContact CE3-CZ 4.37Å; W71-F87 HydrophobicContact CZ3-CE1 4.19Å; W71-F157 AromaticContact CD1-CE1 3.91Å; W71-F157 AromaticContact CD1-CZ 3.77Å; W71-F157 HydrophobicContact CD2-CE1 4.49Å; W71-F157 HydrophobicContact CD2-CE2 4.38Å; W71-F157 AromaticContact CD2-CZ 3.62Å; W71-F157 HydrophobicContact CD2-CZ 3.62Å; W71-F157 AromaticContact CE2-CZ 3.54Å; W71-F157 HydrophobicContact CE3-CZ 4.22Å; W71-F157 HydrophobicContact CG-CE1 4.27Å; W71-F157 AromaticContact CG-CZ 3.8Å; W71-F157 HydrophobicContact CG-CZ 3.8Å; W71-F157 HydrophobicContact CZ2-CE2 4.21Å; W71-F157 HydrophobicContact CZ2-CZ 4.1Å; W71-F157 AromaticContact NE1-CE1 3.91Å; W71-F157 AromaticContact NE1-CZ 3.59Å
72	L	84.2	Confident	88.4	Confident	38 Å²	38	69.7 Å²	69.7	20%	0.199	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	20.3	-174.7	-60.1	179.1	0	0	0	114.9	L120 H121 F128	L72-L120 HydrophobicContact CD1-CB 3.57Å; L72-L120 HydrophobicContact CD1-CD1 4.04Å; L72-L120 HydrophobicContact CD1-CG 4.46Å; L72-H121 PolarHBondContact O-CD2 3.07Å; L72-F128 HydrophobicContact CB-CD1 4.28Å; L72-F128 HydrophobicContact CB-CE1 3.74Å; L72-F128 HydrophobicContact CB-CZ 4.46Å; L72-F128 HydrophobicContact CD1-CD1 3.75Å; L72-F128 HydrophobicContact CD1-CE1 3.91Å; L72-F128 HydrophobicContact CG-CE1 4.33Å
73	N	84.1	Confident	88.7	Confident	30 Å²	30	60.8 Å²	60.8	16%	0.16	30%	0.299	C	S	.	.			trans	-82.7	119.2	174.5	177.3	-35.9	0	0	0	109.1	P69 W71 F75 Y76 M77	P69-N73 PolarHBondContact O-ND2 2.85Å; W71-N73 PolarHBondContact O-N 3.44Å; N73-F75 PolarHBondContact O-N 3Å; N73-F75 VanDerWaalsContact O-N 3.15Å; N73-F75 WeakPolarHBondContact OD1-CB 3.27Å; N73-F75 PolarHBondContact OD1-N 2.84Å; N73-Y76 HydrophobicContact CB-CD2 3.81Å; N73-Y76 PolarHBondContact O-N 3.34Å; N73-M77 WeakPolarHBondContact O-CG 3.49Å; N73-M77 PolarHBondContact O-N 3.21Å
74	L	83.3	Confident	89.5	Confident	123 Å²	123	60.8 Å²	60.8	64%	0.644	29%	0.293	S	S	*	.	H	α-helix	trans	-53.3	-38.8	-175.2	-177.9	60.2	0	0	0	112.7	Y76 M77 M78	L74-Y76 PolarHBondContact O-N 2.89Å; L74-M77 PolarHBondContact O-N 2.94Å; L74-M78 HydrophobicContact CD1-CG 4.18Å; L74-M78 HydrophobicContact CG-CG 4.44Å; L74-M78 WeakPolarHBondContact O-CG 3.05Å; L74-M78 PolarHBondContact O-N 3.41Å
75	F	86.5	Confident	90.3	Very high	110 Å²	110	55.1 Å²	55.1	48%	0.482	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-46.5	178.9	176.8	-96.6	0	0	0	111.9	N73 M78 I79 K82	N73-F75 PolarHBondContact O-N 3Å; N73-F75 VanDerWaalsContact O-N 3.15Å; N73-F75 WeakPolarHBondContact OD1-CB 3.27Å; N73-F75 PolarHBondContact OD1-N 2.84Å; F75-M78 PolarHBondContact O-N 2.98Å; F75-I79 HydrophobicContact CE1-CD1 4.04Å; F75-I79 HydrophobicContact CE2-CD1 3.97Å; F75-I79 HydrophobicContact CZ-CD1 3.64Å; F75-I79 PolarHBondContact O-N 3.23Å; F75-K82 HydrophobicContact CE1-CD 4.38Å
76	Y	87.1	Confident	90.8	Very high	25 Å²	25	55.7 Å²	55.7	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-77	-29.8	179.9	-61.9	-78.4	0	0	0	112.6	F68 I70 N73 L74 M78 I79 K82 Y86	F68-Y76 AromaticContact CD2-CE2 3.99Å; F68-Y76 HydrophobicContact CD2-CE2 3.99Å; F68-Y76 AromaticContact CD2-CZ 3.85Å; F68-Y76 VanDerWaalsContact CD2-OH 3.22Å; F68-Y76 WeakPolarHBondContact CD2-OH 3.42Å; F68-Y76 HydrophobicContact CE2-CE1 4.25Å; F68-Y76 HydrophobicContact CE2-CE2 4.03Å; F68-Y76 AromaticContact CE2-CZ 3.51Å; F68-Y76 WeakPolarHBondContact CE2-OH 3.48Å; I70-Y76 HydrophobicContact CD1-CD1 3.53Å; I70-Y76 HydrophobicContact CD1-CD2 3.68Å; I70-Y76 HydrophobicContact CD1-CE1 3.74Å; I70-Y76 HydrophobicContact CD1-CE2 3.89Å; I70-Y76 HydrophobicContact CD1-CG 3.5Å; N73-Y76 HydrophobicContact CB-CD2 3.81Å; N73-Y76 PolarHBondContact O-N 3.34Å; L74-Y76 PolarHBondContact O-N 2.89Å; Y76-M78 PolarHBondContact O-N 2.92Å; Y76-I79 CarbonylContact O-C 3.54Å; Y76-I79 PolarHBondContact O-N 3.43Å; Y76-K82 HydrophobicContact CD1-CD 4.38Å; Y76-K82 HydrophobicContact CD1-CG 4.19Å; Y76-K82 HydrophobicContact CE1-CD 4.17Å; Y76-K82 HydrophobicContact CE1-CG 4.23Å; Y76-Y86 HydrophobicContact CD1-CD2 4.45Å; Y76-Y86 AromaticContact CE1-CD2 3.86Å; Y76-Y86 HydrophobicContact CE1-CD2 3.86Å; Y76-Y86 AromaticContact CE1-CE2 3.98Å; Y76-Y86 HydrophobicContact CE1-CE2 3.98Å
77	M	85.4	Confident	90.9	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.049	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-26.7	170.3	-65.3	-59.7	-65.8	0	0	112.2	N73 L74 I79 L83 F241 I243 F251	N73-M77 WeakPolarHBondContact O-CG 3.49Å; N73-M77 PolarHBondContact O-N 3.21Å; L74-M77 PolarHBondContact O-N 2.94Å; M77-I79 VanDerWaalsContact C-N 3.32Å; M77-L83 HydrophobicContact SD-CD2 3.95Å; M77-F241 HydrophobicContact CE-CB 4.45Å; M77-F241 HydrophobicContact CE-CD2 3.42Å; M77-F241 VanDerWaalsContact CE-CD2 3.42Å; M77-F241 HydrophobicContact CE-CE2 3.93Å; M77-F241 HydrophobicContact CE-CG 4.16Å; M77-I243 HydrophobicContact CB-CD1 3.6Å; M77-I243 HydrophobicContact CE-CD1 3.62Å; M77-I243 HydrophobicContact CG-CD1 4.31Å; M77-F251 HydrophobicContact CE-CD1 4.49Å; M77-F251 HydrophobicContact CE-CE1 3.53Å; M77-F251 HydrophobicContact CE-CZ 3.84Å; M77-F251 VanDerWaalsContact O-CZ 3.24Å; M77-F251 WeakPolarHBondContact O-CZ 3.46Å; M77-F251 HydrophobicContact SD-CE1 4.07Å
78	M	87.4	Confident	91.1	Very high	61 Å²	61	43.8 Å²	43.8	30%	0.3	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.7	172.7	-67.5	-65.8	-74.6	0	0	113.3	L74 F75 Y76 I243 Y245 R246	L74-M78 HydrophobicContact CD1-CG 4.18Å; L74-M78 HydrophobicContact CG-CG 4.44Å; L74-M78 WeakPolarHBondContact O-CG 3.05Å; L74-M78 PolarHBondContact O-N 3.41Å; F75-M78 PolarHBondContact O-N 2.98Å; Y76-M78 PolarHBondContact O-N 2.92Å; M78-I243 HydrophobicContact SD-CG2 3.94Å; M78-Y245 HydrophobicContact CE-CD1 3.35Å; M78-Y245 HydrophobicContact CE-CD2 4.43Å; M78-Y245 HydrophobicContact CE-CE1 4.07Å; M78-Y245 HydrophobicContact CE-CG 3.57Å; M78-Y245 HydrophobicContact SD-CD1 4.33Å; M78-R246 PolarHBondContact O-NH1 3.4Å
79	I	91.5	Very high	91.3	Very high	56 Å²	56	42.2 Å²	42.2	29%	0.287	20%	0.202	S	C	.	.			trans	-133.1	67.8	-179.9	-44.6	175.5	0	0	0	109.9	F75 Y76 M77 E81 K82 L83	F75-I79 HydrophobicContact CE1-CD1 4.04Å; F75-I79 HydrophobicContact CE2-CD1 3.97Å; F75-I79 HydrophobicContact CZ-CD1 3.64Å; F75-I79 PolarHBondContact O-N 3.23Å; Y76-I79 CarbonylContact O-C 3.54Å; Y76-I79 PolarHBondContact O-N 3.43Å; M77-I79 VanDerWaalsContact C-N 3.32Å; I79-E81 PolarHBondContact O-N 3.44Å; I79-E81 VanDerWaalsContact O-N 3.1Å; I79-K82 HydrophobicContact CB-CB 4.14Å; I79-K82 HydrophobicContact CG2-CB 3.67Å; I79-K82 WeakPolarHBondContact O-CA 3.45Å; I79-K82 WeakPolarHBondContact O-CB 3.45Å; I79-K82 PolarHBondContact O-N 3.16Å; I79-L83 PolarHBondContact O-N 2.93Å
80	P	91.2	Very high	91.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-55.5	-26.1	-178.5	20.5	-35.2	0	0	0	114.4	K82 L83 Q84 R246 S250 F251	P80-K82 VanDerWaalsContact C-N 3.33Å; P80-L83 PolarHBondContact O-N 2.94Å; P80-Q84 VanDerWaalsContact O-CB 3.23Å; P80-Q84 WeakPolarHBondContact O-CB 3.14Å; P80-Q84 PolarHBondContact O-N 3.09Å; P80-R246 VanDerWaalsContact CG-NH2 3.32Å; P80-S250 WeakPolarHBondContact CB-O 3.22Å; P80-S250 WeakPolarHBondContact CG-OG 3.22Å; P80-F251 HydrophobicContact CB-CD1 4.08Å; P80-F251 HydrophobicContact CB-CD2 4.42Å; P80-F251 HydrophobicContact CB-CE1 4.03Å; P80-F251 HydrophobicContact CB-CE2 4.38Å; P80-F251 HydrophobicContact CB-CG 4.3Å; P80-F251 HydrophobicContact CB-CZ 4.2Å; P80-F251 HydrophobicContact CG-CE2 4.34Å; P80-F251 HydrophobicContact CG-CZ 4.44Å
81	E	93.8	Very high	91.7	Very high	105 Å²	105	49 Å²	49	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-65.1	-39.8	173.7	-60.8	72.8	-154.8	0	0	111.3	I79 Q84 H85 R246	I79-E81 PolarHBondContact O-N 3.44Å; I79-E81 VanDerWaalsContact O-N 3.1Å; E81-Q84 PolarHBondContact O-N 3.01Å; E81-H85 WeakPolarHBondContact O-CB 3.01Å; E81-H85 PolarHBondContact O-N 2.93Å; E81-R246 IonicContact OE1-CZ 3.82Å; E81-R246 IonicContact OE1-NH2 2.7Å; E81-R246 PolarHBondContact OE1-NH2 3.1Å; E81-R246 IonicContact OE2-CZ 2.8Å; E81-R246 IonicContact OE2-NH1 3.52Å; E81-R246 IonicContact OE2-NH2 3.77Å; E81-R246 PolarHBondContact OE2-NH2 3.04Å
82	K	94.3	Very high	91.9	Very high	72 Å²	72	49.9 Å²	49.9	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-73.1	-38.6	176.2	-168.7	167.7	-174.5	169.6	0	111	F75 Y76 I79 P80 H85 Y86	F75-K82 HydrophobicContact CE1-CD 4.38Å; Y76-K82 HydrophobicContact CD1-CD 4.38Å; Y76-K82 HydrophobicContact CD1-CG 4.19Å; Y76-K82 HydrophobicContact CE1-CD 4.17Å; Y76-K82 HydrophobicContact CE1-CG 4.23Å; I79-K82 HydrophobicContact CB-CB 4.14Å; I79-K82 HydrophobicContact CG2-CB 3.67Å; I79-K82 WeakPolarHBondContact O-CA 3.45Å; I79-K82 WeakPolarHBondContact O-CB 3.45Å; I79-K82 PolarHBondContact O-N 3.16Å; P80-K82 VanDerWaalsContact C-N 3.33Å; K82-H85 PolarHBondContact O-N 3.28Å; K82-Y86 HydrophobicContact CD-CE2 4.09Å; K82-Y86 VanDerWaalsContact CE-OH 3.27Å; K82-Y86 WeakPolarHBondContact CE-OH 3.25Å; K82-Y86 HydrophobicContact CG-CD2 3.99Å; K82-Y86 HydrophobicContact CG-CE2 3.68Å; K82-Y86 PolarHBondContact O-N 3.26Å
83	L	94.4	Very high	92.3	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-45.3	171.9	-173.3	66.9	0	0	0	111	I70 M77 I79 P80 H85 Y86 F87 G88 F251 I254	I70-L83 HydrophobicContact CD1-CD1 4Å; I70-L83 HydrophobicContact CG1-CD1 3.89Å; M77-L83 HydrophobicContact SD-CD2 3.95Å; I79-L83 PolarHBondContact O-N 2.93Å; P80-L83 PolarHBondContact O-N 2.94Å; L83-H85 VanDerWaalsContact C-N 3.33Å; L83-H85 PolarHBondContact O-N 2.59Å; L83-Y86 PolarHBondContact O-N 3.36Å; L83-F87 HydrophobicContact CD1-CB 3.98Å; L83-F87 HydrophobicContact CD1-CD1 4.37Å; L83-F87 HydrophobicContact CD1-CG 4.46Å; L83-F87 HydrophobicContact CG-CB 4.46Å; L83-F87 WeakPolarHBondContact O-CA 3.44Å; L83-F87 VanDerWaalsContact O-CB 3.26Å; L83-F87 WeakPolarHBondContact O-CB 3.38Å; L83-F87 PolarHBondContact O-N 2.9Å; L83-G88 PolarHBondContact O-N 3.47Å; L83-F251 HydrophobicContact CD2-CE1 4.4Å; L83-I254 HydrophobicContact CB-CD1 4.4Å; L83-I254 HydrophobicContact CD2-CD1 3.78Å; L83-I254 HydrophobicContact CG-CD1 3.55Å
84	Q	95.5	Very high	92.7	Very high	52 Å²	52	58.2 Å²	58.2	24%	0.243	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-44.4	175.1	172.1	60.6	1.6	0	0	111.3	P80 E81 Y86 G88 P253 I254	P80-Q84 VanDerWaalsContact O-CB 3.23Å; P80-Q84 WeakPolarHBondContact O-CB 3.14Å; P80-Q84 PolarHBondContact O-N 3.09Å; E81-Q84 PolarHBondContact O-N 3.01Å; Q84-Y86 PolarHBondContact O-N 3.04Å; Q84-G88 VanDerWaalsContact O-CA 3.28Å; Q84-G88 WeakPolarHBondContact O-CA 3.42Å; Q84-G88 PolarHBondContact O-N 3.13Å; Q84-P253 HydrophobicContact CG-CB 4.32Å; Q84-I254 HydrophobicContact CB-CB 4.37Å
85	H	95.6	Very high	93.3	Very high	102 Å²	102	55.3 Å²	55.3	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-65.1	-37.6	-179.9	-177.3	56	0	0	0	112.9	E81 K82 L83 T101 A103	E81-H85 WeakPolarHBondContact O-CB 3.01Å; E81-H85 PolarHBondContact O-N 2.93Å; K82-H85 PolarHBondContact O-N 3.28Å; L83-H85 VanDerWaalsContact C-N 3.33Å; L83-H85 PolarHBondContact O-N 2.59Å; H85-T101 WeakPolarHBondContact O-CB 3.16Å; H85-T101 WeakPolarHBondContact O-CG2 3.29Å; H85-T101 PolarHBondContact O-OG1 3.05Å; H85-A103 WeakPolarHBondContact NE2-CB 3.46Å; H85-A103 WeakPolarHBondContact O-CB 3.47Å
86	Y	95.8	Very high	93.7	Very high	36 Å²	36	51.6 Å²	51.6	14%	0.141	26%	0.259	C	S	.	.	H	α-helix	trans	-93.6	-29.4	-177	-65.4	-13.9	0	0	0	114.9	L60 F68 I70 Y76 K82 L83 Q84 A103 C104	L60-Y86 HydrophobicContact CD2-CD1 4.13Å; L60-Y86 HydrophobicContact CD2-CD2 4.47Å; L60-Y86 HydrophobicContact CD2-CE1 3.75Å; L60-Y86 HydrophobicContact CD2-CE2 4.11Å; L60-Y86 HydrophobicContact CD2-CG 4.49Å; F68-Y86 HydrophobicContact CE2-CD2 4.44Å; F68-Y86 HydrophobicContact CZ-CD2 4.25Å; F68-Y86 HydrophobicContact CZ-CE2 4.34Å; I70-Y86 HydrophobicContact CD1-CD2 4.18Å; Y76-Y86 HydrophobicContact CD1-CD2 4.45Å; Y76-Y86 AromaticContact CE1-CD2 3.86Å; Y76-Y86 HydrophobicContact CE1-CD2 3.86Å; Y76-Y86 AromaticContact CE1-CE2 3.98Å; Y76-Y86 HydrophobicContact CE1-CE2 3.98Å; K82-Y86 HydrophobicContact CD-CE2 4.09Å; K82-Y86 VanDerWaalsContact CE-OH 3.27Å; K82-Y86 WeakPolarHBondContact CE-OH 3.25Å; K82-Y86 HydrophobicContact CG-CD2 3.99Å; K82-Y86 HydrophobicContact CG-CE2 3.68Å; K82-Y86 PolarHBondContact O-N 3.26Å; L83-Y86 PolarHBondContact O-N 3.36Å; Q84-Y86 PolarHBondContact O-N 3.04Å; Y86-A103 HydrophobicContact CD1-CB 3.67Å; Y86-A103 HydrophobicContact CE1-CB 4.09Å; Y86-C104 VanDerWaalsContact O-CB 3.3Å; Y86-C104 WeakPolarHBondContact O-CB 3.45Å
87	F	96.8	Very high	94.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-125.8	-10.6	-169	-164.7	-117.5	0	0	0	113.6	A56 I70 W71 L83 V106 F108 F157 R158 I254 F258	A56-F87 HydrophobicContact CB-CE2 3.58Å; A56-F87 HydrophobicContact CB-CZ 3.85Å; I70-F87 HydrophobicContact CG1-CB 3.89Å; I70-F87 HydrophobicContact CG1-CD2 4.33Å; I70-F87 HydrophobicContact CG1-CG 4.25Å; I70-F87 HydrophobicContact CG2-CD2 3.59Å; I70-F87 HydrophobicContact CG2-CE2 3.93Å; I70-F87 HydrophobicContact CG2-CG 4.24Å; W71-F87 HydrophobicContact CB-CZ 4.31Å; W71-F87 HydrophobicContact CD2-CE1 4.21Å; W71-F87 HydrophobicContact CE3-CD1 4.19Å; W71-F87 AromaticContact CE3-CE1 3.6Å; W71-F87 HydrophobicContact CE3-CE1 3.6Å; W71-F87 HydrophobicContact CE3-CZ 4.37Å; W71-F87 HydrophobicContact CZ3-CE1 4.19Å; L83-F87 HydrophobicContact CD1-CB 3.98Å; L83-F87 HydrophobicContact CD1-CD1 4.37Å; L83-F87 HydrophobicContact CD1-CG 4.46Å; L83-F87 HydrophobicContact CG-CB 4.46Å; L83-F87 WeakPolarHBondContact O-CA 3.44Å; L83-F87 VanDerWaalsContact O-CB 3.26Å; L83-F87 WeakPolarHBondContact O-CB 3.38Å; L83-F87 PolarHBondContact O-N 2.9Å; F87-V106 HydrophobicContact CD2-CG1 3.74Å; F87-V106 HydrophobicContact CD2-CG2 4.2Å; F87-V106 HydrophobicContact CE2-CG1 3.52Å; F87-F108 HydrophobicContact CE2-CZ 4.08Å; F87-F108 HydrophobicContact CZ-CE1 4.46Å; F87-F108 HydrophobicContact CZ-CZ 4.22Å; F87-F157 HydrophobicContact CE1-CE2 4.18Å; F87-F157 AromaticContact CE1-CZ 3.95Å; F87-F157 HydrophobicContact CE1-CZ 3.95Å; F87-F157 HydrophobicContact CZ-CE1 4.41Å; F87-F157 HydrophobicContact CZ-CE2 4.17Å; F87-F157 AromaticContact CZ-CZ 3.66Å; F87-F157 HydrophobicContact CZ-CZ 3.66Å; F87-R158 HydrophobicContact CE1-CG 4.07Å; F87-R158 HydrophobicContact CZ-CG 4.02Å; F87-R158 WeakPolarHBondContact O-CD 3.2Å; F87-R158 PolarHBondContact O-NH1 2.8Å; F87-I254 HydrophobicContact CB-CD1 4.43Å; F87-I254 HydrophobicContact CD1-CD1 4.16Å; F87-F258 AromaticContact CD1-CZ 3.85Å; F87-F258 HydrophobicContact CD1-CZ 3.85Å; F87-F258 HydrophobicContact CE1-CE2 4.41Å; F87-F258 AromaticContact CE1-CZ 3.81Å; F87-F258 HydrophobicContact CE1-CZ 3.81Å
88	G	97	Very high	94.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.			trans	-65.5	170.7	171.5	0	0	0	0	0	112.5	L83 Q84	L83-G88 PolarHBondContact O-N 3.47Å; Q84-G88 VanDerWaalsContact O-CA 3.28Å; Q84-G88 WeakPolarHBondContact O-CA 3.42Å; Q84-G88 PolarHBondContact O-N 3.13Å
89	L	98	Very high	95.1	Very high	7 Å²	7	54 Å²	54	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	164.9	174.3	-61.2	166.5	0	0	0	110.8	E99 R158 K159 S257 F258	L89-E99 CarbonylContact C-O 3.55Å; L89-E99 VanDerWaalsContact CA-O 3.23Å; L89-E99 WeakPolarHBondContact CA-O 3.47Å; L89-E99 WeakPolarHBondContact CD2-O 3.48Å; L89-R158 HydrophobicContact CD1-CB 3.55Å; L89-R158 HydrophobicContact CG-CB 4.43Å; L89-K159 HydrophobicContact CD1-CG 4.01Å; L89-S257 WeakPolarHBondContact CB-O 2.93Å; L89-S257 PolarHBondContact N-OG 2.78Å; L89-S257 WeakPolarHBondContact O-CB 3.44Å; L89-F258 HydrophobicContact CD1-CD1 4.04Å; L89-F258 HydrophobicContact CG-CD1 4.42Å
90	R	96.7	Very high	95.3	Very high	137 Å²	137	53.9 Å²	53.9	52%	0.517	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136	170.5	-65.1	179.8	178.8	157.5	0.4	108.9	S98 E99 D102	R90-S98 CarbonylContact O-C 3.58Å; R90-S98 WeakPolarHBondContact O-CA 3.45Å; R90-E99 PolarHBondContact N-O 3.03Å; R90-E99 PolarHBondContact O-N 2.68Å; R90-D102 IonicContact CZ-OD2 2.82Å; R90-D102 IonicContact NH1-OD2 3.53Å; R90-D102 PolarHBondContact NH1-OD2 2.88Å
91	F	97.1	Very high	95.5	Very high	39 Å²	39	54.1 Å²	54.1	17%	0.171	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.5	173.5	-64.1	-62.5	0	0	0	110.7	D97 R256 S257 I262 F299 V301 V305	F91-D97 CarbonylContact C-O 3.57Å; F91-D97 WeakPolarHBondContact CA-O 3.46Å; F91-R256 VanDerWaalsContact CE2-O 3.29Å; F91-R256 WeakPolarHBondContact CE2-O 3.26Å; F91-S257 VanDerWaalsContact CZ-O 3.31Å; F91-S257 WeakPolarHBondContact CZ-O 3.27Å; F91-I262 HydrophobicContact CE2-CD1 3.82Å; F91-I262 HydrophobicContact CZ-CD1 3.64Å; F91-F299 HydrophobicContact CE2-CZ 4.31Å; F91-V301 HydrophobicContact CB-CG2 4.49Å; F91-V305 HydrophobicContact CD1-CG2 3.81Å; F91-V305 HydrophobicContact CD2-CG2 4.18Å; F91-V305 HydrophobicContact CE1-CG1 4Å; F91-V305 HydrophobicContact CE1-CG2 3.86Å; F91-V305 HydrophobicContact CE2-CG2 4.21Å; F91-V305 HydrophobicContact CG-CG2 3.99Å; F91-V305 HydrophobicContact CZ-CG1 4.15Å; F91-V305 HydrophobicContact CZ-CG2 4.08Å
92	N	95.1	Very high	95.5	Very high	42 Å²	42	53.9 Å²	53.9	23%	0.225	28%	0.275	C	S	.	.			trans	-65.1	124.5	167	-173.5	-62.2	0	0	0	108.8	T94 T95 L96 D97 E99	N92-T94 PolarHBondContact O-N 3.47Å; N92-T94 WeakPolarHBondContact OD1-CB 3.32Å; N92-T94 PolarHBondContact OD1-N 3.1Å; N92-T95 WeakPolarHBondContact CB-OG1 3.41Å; N92-T95 PolarHBondContact OD1-N 3.44Å; N92-T95 VanDerWaalsContact OD1-N 3.09Å; N92-L96 WeakPolarHBondContact O-CA 3.49Å; N92-L96 PolarHBondContact O-N 3.01Å; N92-D97 PolarHBondContact N-O 3.25Å; N92-E99 PolarHBondContact ND2-OE1 2.83Å
93	P	90.7	Very high	95.5	Very high	118 Å²	118	50.9 Å²	50.9	77%	0.766	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.2	-174.3	27.3	-35.3	0	0	0	113.5
94	T	93.1	Very high	95.4	Very high	124 Å²	124	50.8 Å²	50.8	76%	0.761	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-53.7	-179.3	-55.6	0	0	0	0	111.5	N92	N92-T94 PolarHBondContact O-N 3.47Å; N92-T94 WeakPolarHBondContact OD1-CB 3.32Å; N92-T94 PolarHBondContact OD1-N 3.1Å
95	T	95.6	Very high	95.5	Very high	62 Å²	62	53.9 Å²	53.9	38%	0.38	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-18.1	-176.3	72.5	0	0	0	0	113	N92 D97 K308	N92-T95 WeakPolarHBondContact CB-OG1 3.41Å; N92-T95 PolarHBondContact OD1-N 3.44Å; N92-T95 VanDerWaalsContact OD1-N 3.09Å; T95-D97 WeakPolarHBondContact CB-OD2 3.41Å; T95-D97 PolarHBondContact O-N 3.24Å; T95-D97 WeakPolarHBondContact OG1-CB 3.35Å; T95-D97 PolarHBondContact OG1-N 2.91Å; T95-D97 PolarHBondContact OG1-OD2 3.24Å; T95-D97 VanDerWaalsContact OG1-OD2 3.06Å; T95-K308 PolarHBondContact O-NZ 2.9Å
96	L	96.2	Very high	95.5	Very high	33 Å²	33	50 Å²	50	17%	0.173	26%	0.259	C	S	.	.			trans	62.1	8.3	-170.6	-52.9	170	0	0	0	114.1	N92 V301 Q304 V305 K308	N92-L96 WeakPolarHBondContact O-CA 3.49Å; N92-L96 PolarHBondContact O-N 3.01Å; L96-V301 HydrophobicContact CD2-CG2 4.14Å; L96-Q304 HydrophobicContact CD1-CB 3.65Å; L96-Q304 HydrophobicContact CD2-CB 4.07Å; L96-V305 HydrophobicContact CB-CG2 4.32Å; L96-K308 HydrophobicContact CB-CD 4.16Å
97	D	96.5	Very high	95.5	Very high	42 Å²	42	49.8 Å²	49.8	23%	0.225	26%	0.26	C	S	.	.			trans	-74.5	150.7	172.6	-62	-41.9	0	0	0	110.5	F91 N92 T95 Y162 E163 K308	F91-D97 CarbonylContact C-O 3.57Å; F91-D97 WeakPolarHBondContact CA-O 3.46Å; N92-D97 PolarHBondContact N-O 3.25Å; T95-D97 WeakPolarHBondContact CB-OD2 3.41Å; T95-D97 PolarHBondContact O-N 3.24Å; T95-D97 WeakPolarHBondContact OG1-CB 3.35Å; T95-D97 PolarHBondContact OG1-N 2.91Å; T95-D97 PolarHBondContact OG1-OD2 3.24Å; T95-D97 VanDerWaalsContact OG1-OD2 3.06Å; D97-Y162 WeakPolarHBondContact OD1-CD2 3.45Å; D97-Y162 WeakPolarHBondContact OD1-CE2 3.04Å; D97-E163 HydrophobicContact CB-CG 4.42Å; D97-K308 VanDerWaalsContact CG-NZ 3.34Å; D97-K308 IonicContact OD1-NZ 3.83Å; D97-K308 PolarHBondContact OD1-NZ 3.47Å; D97-K308 IonicContact OD2-NZ 3.54Å
98	S	96.7	Very high	95.5	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134	178.8	69.8	0	0	0	0	111.5	R90 K159 E163	R90-S98 CarbonylContact O-C 3.58Å; R90-S98 WeakPolarHBondContact O-CA 3.45Å; S98-K159 WeakPolarHBondContact O-CE 3.35Å; S98-K159 PolarHBondContact O-NZ 2.88Å; S98-E163 WeakPolarHBondContact CA-OE1 3.34Å; S98-E163 WeakPolarHBondContact CB-OE1 3.29Å; S98-E163 PolarHBondContact N-OE1 3.42Å; S98-E163 PolarHBondContact OG-OE1 2.85Å
99	E	95.8	Very high	95.5	Very high	102 Å²	102	53.6 Å²	53.6	48%	0.477	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.9	178.3	-64.9	176.1	-158	0	0	109.6	L89 R90 N92	L89-E99 CarbonylContact C-O 3.55Å; L89-E99 VanDerWaalsContact CA-O 3.23Å; L89-E99 WeakPolarHBondContact CA-O 3.47Å; L89-E99 WeakPolarHBondContact CD2-O 3.48Å; R90-E99 PolarHBondContact N-O 3.03Å; R90-E99 PolarHBondContact O-N 2.68Å; N92-E99 PolarHBondContact ND2-OE1 2.83Å
100	N	96.3	Very high	95.3	Very high	52 Å²	52	54 Å²	54	28%	0.278	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	156	173.5	-72.7	-60.5	0	0	0	110.3	R158	N100-R158 PolarHBondContact OD1-NH1 3.05Å; N100-R158 PolarHBondContact OD1-NH2 3.3Å
101	T	95.2	Very high	95.4	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.043	28%	0.277	C	S	.	.			trans	-66.3	164.5	167	64.9	0	0	0	0	111.8	K61 H85 A103	K61-T101 PolarHBondContact NZ-O 3.16Å; H85-T101 WeakPolarHBondContact O-CB 3.16Å; H85-T101 WeakPolarHBondContact O-CG2 3.29Å; H85-T101 PolarHBondContact O-OG1 3.05Å; T101-A103 PolarHBondContact O-N 3.35Å
102	D	92.8	Very high	95.5	Very high	99 Å²	99	49.3 Å²	49.3	53%	0.529	27%	0.269	S	S	.	.	S	Bend	trans	-73.5	-15.5	177.4	-55.4	-52.4	0	0	0	112.8	K61 R90 C104	K61-D102 VanDerWaalsContact CD-O 3.26Å; K61-D102 WeakPolarHBondContact CD-O 3.17Å; R90-D102 IonicContact CZ-OD2 2.82Å; R90-D102 IonicContact NH1-OD2 3.53Å; R90-D102 PolarHBondContact NH1-OD2 2.88Å; D102-C104 PolarHBondContact O-N 3.22Å
103	A	94.2	Very high	95.6	Very high	9 Å²	9	50.9 Å²	50.9	7%	0.074	28%	0.275	C	S	.	.	S	Bend	trans	-69.9	-37.2	-174.1	0	0	0	0	0	113	L60 K61 H85 Y86 T101	L60-A103 WeakPolarHBondContact CA-O 3.39Å; K61-A103 PolarHBondContact N-O 2.91Å; H85-A103 WeakPolarHBondContact NE2-CB 3.46Å; H85-A103 WeakPolarHBondContact O-CB 3.47Å; Y86-A103 HydrophobicContact CD1-CB 3.67Å; Y86-A103 HydrophobicContact CE1-CB 4.09Å; T101-A103 PolarHBondContact O-N 3.35Å
104	C	93.9	Very high	95.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.4	-164.8	-172.6	0	0	0	0	114	C58 Q59 K61 Y86 D102 V106	C58-C104 VanDerWaalsContact C-SG 3.55Å; C58-C104 WeakPolarHBondContact CA-SG 3.48Å; C58-C104 HydrophobicContact CB-CB 4.37Å; C58-C104 WeakPolarHBondContact CB-SG 3.43Å; C58-C104 WeakPolarHBondContact SG-CB 3.44Å; C58-C104 CovalentContact SG-SG 2.01Å; C58-C104 PolarHBondContact SG-SG 3.02Å; Q59-C104 PolarHBondContact N-SG 2.92Å; Q59-C104 CarbonylContact O-C 3.56Å; Q59-C104 WeakPolarHBondContact O-CA 3.21Å; Q59-C104 PolarHBondContact O-SG 2.73Å; Q59-C104 VanDerWaalsContact O-SG 3.38Å; K61-C104 WeakPolarHBondContact CE-O 3.43Å; Y86-C104 VanDerWaalsContact O-CB 3.3Å; Y86-C104 WeakPolarHBondContact O-CB 3.45Å; D102-C104 PolarHBondContact O-N 3.22Å; C104-V106 HydrophobicContact CB-CG2 4.5Å
105	K	95.8	Very high	95.9	Very high	118 Å²	118	47.9 Å²	47.9	51%	0.513	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	108.3	157.9	-178.6	-172.9	176.4	-171.3	0	108.1	Q59 I107	Q59-K105 HydrophobicContact CB-CB 4.41Å; Q59-K105 PolarHBondContact N-O 2.83Å; Q59-K105 PolarHBondContact O-N 3.15Å; K105-I107 HydrophobicContact CD-CD1 4.39Å; K105-I107 HydrophobicContact CD-CG1 4.45Å; K105-I107 HydrophobicContact CG-CG1 4.24Å
106	V	96.7	Very high	95.8	Very high	19 Å²	19	45.1 Å²	45.1	12%	0.115	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.9	178.3	-175.8	0	0	0	0	109.9	Y57 F87 C104 F108	Y57-V106 WeakPolarHBondContact O-CA 3.17Å; F87-V106 HydrophobicContact CD2-CG1 3.74Å; F87-V106 HydrophobicContact CD2-CG2 4.2Å; F87-V106 HydrophobicContact CE2-CG1 3.52Å; C104-V106 HydrophobicContact CB-CG2 4.5Å; V106-F108 HydrophobicContact CG1-CD2 4.39Å; V106-F108 HydrophobicContact CG1-CE2 3.58Å; V106-F108 HydrophobicContact CG1-CZ 3.88Å
107	I	96.3	Very high	95.8	Very high	32 Å²	32	43.5 Å²	43.5	16%	0.164	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132	-172.4	-61.7	160	0	0	0	109.5	A56 Y57 Q59 E67 K105	A56-I107 WeakPolarHBondContact CA-O 3.19Å; Y57-I107 PolarHBondContact N-O 2.86Å; Y57-I107 PolarHBondContact O-N 3.44Å; Q59-I107 HydrophobicContact CB-CD1 4.37Å; E67-I107 HydrophobicContact CG-CD1 4Å; E67-I107 WeakPolarHBondContact OE1-CD1 3.32Å; K105-I107 HydrophobicContact CD-CD1 4.39Å; K105-I107 HydrophobicContact CD-CG1 4.45Å; K105-I107 HydrophobicContact CG-CG1 4.24Å
108	F	96.7	Very high	95.7	Very high	39 Å²	39	42 Å²	42	17%	0.171	20%	0.201	C	C	.	.			trans	-113.7	99.7	174.3	-64.5	-88.7	0	0	0	108.2	T54 A56 F87 V106 Y155 D156 F157	T54-F108 HydrophobicContact CG2-CD1 3.71Å; T54-F108 HydrophobicContact CG2-CE1 4.29Å; A56-F108 HydrophobicContact CB-CD1 3.93Å; A56-F108 HydrophobicContact CB-CE1 3.56Å; A56-F108 HydrophobicContact CB-CZ 4.09Å; F87-F108 HydrophobicContact CE2-CZ 4.08Å; F87-F108 HydrophobicContact CZ-CE1 4.46Å; F87-F108 HydrophobicContact CZ-CZ 4.22Å; V106-F108 HydrophobicContact CG1-CD2 4.39Å; V106-F108 HydrophobicContact CG1-CE2 3.58Å; V106-F108 HydrophobicContact CG1-CZ 3.88Å; F108-Y155 WeakPolarHBondContact CD1-O 3.2Å; F108-D156 HydrophobicContact CD2-CB 3.75Å; F108-D156 HydrophobicContact CE2-CB 3.39Å; F108-D156 WeakPolarHBondContact CE2-OD1 3.24Å; F108-D156 HydrophobicContact CG-CB 4.49Å; F108-D156 HydrophobicContact CZ-CB 3.86Å; F108-D156 VanDerWaalsContact CZ-CG 3.5Å; F108-D156 WeakPolarHBondContact CZ-OD1 3.15Å; F108-F157 HydrophobicContact CD1-CD1 4.45Å; F108-F157 HydrophobicContact CD1-CE1 4.48Å; F108-F157 AromaticContact CE1-CD1 3.79Å; F108-F157 HydrophobicContact CE1-CD1 3.79Å; F108-F157 AromaticContact CE1-CE1 3.68Å; F108-F157 HydrophobicContact CE1-CE1 3.68Å; F108-F157 HydrophobicContact CE1-CZ 4.41Å
109	P	95.3	Very high	95.4	Very high	41 Å²	41	45.2 Å²	45.2	27%	0.266	21%	0.213	S	C	.	.			trans	-82.2	166.2	-169.5	33.1	-36.4	0	0	0	112.9	Y57 S116 P154	Y57-P109 HydrophobicContact CD2-CG 3.77Å; Y57-P109 HydrophobicContact CE2-CG 3.64Å; P109-S116 VanDerWaalsContact O-CB 3.26Å; P109-S116 WeakPolarHBondContact O-CB 3.39Å; P109-S116 PolarHBondContact O-OG 2.89Å; P109-P154 VanDerWaalsContact O-CG 3.32Å; P109-P154 WeakPolarHBondContact O-CG 3.27Å
110	G	95.5	Very high	94.8	Very high	17 Å²	17	41.4 Å²	41.4	18%	0.175	20%	0.196	C	C	.	.			trans	80.5	36.2	167.2	0	0	0	0	0	114.6	G112 E113 P154	G110-G112 PolarHBondContact O-N 3.09Å; G110-E113 WeakPolarHBondContact O-CA 3.24Å; G110-E113 WeakPolarHBondContact O-CB 3.41Å; G110-E113 PolarHBondContact O-N 3.16Å; G110-P154 WeakPolarHBondContact O-CD 3.11Å; G110-P154 VanDerWaalsContact O-CG 3.24Å; G110-P154 WeakPolarHBondContact O-CG 3.23Å
111	W	98.1	Very high	93.9	Very high	75 Å²	75	40 Å²	40	28%	0.284	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	124.1	172.8	-178.3	-92	0	0	0	110.9	E113 A153 P154 F167 K170 L171 L174	W111-E113 PolarHBondContact O-N 2.89Å; W111-A153 HydrophobicContact CH2-CB 4.08Å; W111-A153 HydrophobicContact CZ3-CB 4.22Å; W111-P154 WeakPolarHBondContact CZ3-O 3.16Å; W111-F167 HydrophobicContact CH2-CD2 4.02Å; W111-F167 HydrophobicContact CH2-CE2 4.03Å; W111-F167 AromaticContact CZ3-CD2 3.9Å; W111-F167 HydrophobicContact CZ3-CD2 3.9Å; W111-F167 AromaticContact CZ3-CE2 3.98Å; W111-F167 HydrophobicContact CZ3-CE2 3.98Å; W111-K170 HydrophobicContact CH2-CB 3.89Å; W111-K170 HydrophobicContact CZ2-CB 3.38Å; W111-K170 WeakPolarHBondContact CZ2-O 3.33Å; W111-L171 HydrophobicContact CH2-CB 4.4Å; W111-L174 HydrophobicContact CZ2-CB 4.3Å; W111-L174 HydrophobicContact CZ2-CD2 4.07Å
112	G	98.3	Very high	92.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-6.4	-174.2	0	0	0	0	0	113.9	G110 R151 G152	G110-G112 PolarHBondContact O-N 3.09Å; G112-R151 WeakPolarHBondContact O-CD 3.27Å; G112-R151 PolarHBondContact O-NE 3.19Å; G112-G152 CarbonylContact C-O 3.56Å; G112-G152 WeakPolarHBondContact CA-O 3.41Å; G112-G152 PolarHBondContact N-O 3.06Å
113	E	97.6	Very high	91	Very high	75 Å²	75	43.1 Å²	43.1	35%	0.35	21%	0.206	S	C	.	.			trans	-103	155.5	176.7	-52.4	-177.2	-155.8	0	0	111.3	G110 W111 N147 G152	G110-E113 WeakPolarHBondContact O-CA 3.24Å; G110-E113 WeakPolarHBondContact O-CB 3.41Å; G110-E113 PolarHBondContact O-N 3.16Å; W111-E113 PolarHBondContact O-N 2.89Å; E113-N147 WeakPolarHBondContact CA-OD1 3.33Å; E113-N147 VanDerWaalsContact CB-OD1 3.3Å; E113-N147 WeakPolarHBondContact CB-OD1 3.5Å; E113-N147 HydrophobicContact CG-CB 4.43Å; E113-G152 WeakPolarHBondContact O-CA 3.42Å; E113-G152 PolarHBondContact O-N 2.92Å
114	T	96.5	Very high	89	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.221	C	C	.	.	S	Bend	trans	-91.5	-18.8	175.8	53.9	0	0	0	0	113.3	S116 I117 E118 V135 L150	T114-S116 VanDerWaalsContact C-N 3.33Å; T114-S116 PolarHBondContact O-N 2.86Å; T114-I117 CarbonylContact O-C 3.56Å; T114-I117 WeakPolarHBondContact O-CG1 3.5Å; T114-I117 PolarHBondContact O-N 3.28Å; T114-E118 WeakPolarHBondContact CB-OE1 3.29Å; T114-E118 WeakPolarHBondContact O-CG 3.35Å; T114-E118 PolarHBondContact O-N 3.08Å; T114-E118 PolarHBondContact OG1-OE1 3.2Å; T114-V135 HydrophobicContact CG2-CG2 4.13Å; T114-L150 HydrophobicContact CG2-CD1 4.33Å; T114-L150 HydrophobicContact CG2-CG 4.01Å
115	R	94.2	Very high	87.3	Confident	179 Å²	179	50.1 Å²	50.1	68%	0.675	25%	0.246	S	C	*	.	H	α-helix	trans	-53.6	-44.6	-169.7	-178.1	-178.1	175.2	-169.6	-0.5	113.7	I117 E118	R115-I117 PolarHBondContact O-N 2.82Å; R115-E118 PolarHBondContact N-OE1 3.41Å
116	S	94	Very high	85.3	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-73.9	-12	-176.8	54.3	0	0	0	0	114.1	T54 Q55 P109 T114	T54-S116 WeakPolarHBondContact CA-O 3.45Å; Q55-S116 PolarHBondContact N-O 3.46Å; P109-S116 VanDerWaalsContact O-CB 3.26Å; P109-S116 WeakPolarHBondContact O-CB 3.39Å; P109-S116 PolarHBondContact O-OG 2.89Å; T114-S116 VanDerWaalsContact C-N 3.33Å; T114-S116 PolarHBondContact O-N 2.86Å
117	I	95.7	Very high	83.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-115.4	-7.4	179.4	67.2	168.9	0	0	0	112.6	L47 P49 T114 R115 Y130 F131 P154	L47-I117 HydrophobicContact CB-CD1 3.77Å; P49-I117 HydrophobicContact CB-CG2 4.09Å; P49-I117 HydrophobicContact CG-CG2 3.86Å; T114-I117 CarbonylContact O-C 3.56Å; T114-I117 WeakPolarHBondContact O-CG1 3.5Å; T114-I117 PolarHBondContact O-N 3.28Å; R115-I117 PolarHBondContact O-N 2.82Å; I117-Y130 WeakPolarHBondContact O-CB 3.41Å; I117-Y130 WeakPolarHBondContact O-CD1 3.2Å; I117-F131 HydrophobicContact CB-CD2 4.01Å; I117-F131 HydrophobicContact CD1-CD2 3.74Å; I117-F131 HydrophobicContact CD1-CE2 4.17Å; I117-F131 HydrophobicContact CD1-CG 4.45Å; I117-F131 HydrophobicContact CG1-CD2 4.02Å; I117-F131 WeakPolarHBondContact O-CB 3.5Å; I117-F131 PolarHBondContact O-N 2.89Å; I117-P154 HydrophobicContact CG2-CB 4Å
118	E	94.6	Very high	82.4	Confident	11 Å²	11	64.7 Å²	64.7	5%	0.051	30%	0.301	C	S	.	.	H	α-helix	trans	-71	-46.8	172.8	-79.2	172.2	-116.4	0	0	111.1	T114 R115 N129 Y130 G132 V135 K146	T114-E118 WeakPolarHBondContact CB-OE1 3.29Å; T114-E118 WeakPolarHBondContact O-CG 3.35Å; T114-E118 PolarHBondContact O-N 3.08Å; T114-E118 PolarHBondContact OG1-OE1 3.2Å; R115-E118 PolarHBondContact N-OE1 3.41Å; E118-N129 PolarHBondContact O-OD1 2.58Å; E118-Y130 PolarHBondContact O-N 2.97Å; E118-G132 PolarHBondContact O-N 3.09Å; E118-G132 VanDerWaalsContact O-N 3.13Å; E118-V135 HydrophobicContact CG-CB 3.99Å; E118-V135 HydrophobicContact CG-CG1 4.01Å; E118-V135 HydrophobicContact CG-CG2 3.88Å; E118-K146 WeakPolarHBondContact OE1-CE 3.46Å; E118-K146 IonicContact OE1-NZ 3.59Å; E118-K146 PolarHBondContact OE1-NZ 3.1Å; E118-K146 WeakPolarHBondContact OE2-CE 3.49Å; E118-K146 IonicContact OE2-NZ 3.48Å; E118-K146 PolarHBondContact OE2-NZ 3.02Å
119	Y	90.4	Very high	81.9	Confident	69 Å²	69	65.4 Å²	65.4	27%	0.271	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-132	127.3	178.4	-53.3	-85.2	0	0	0	110.1	Q55 H121 F128 N129	Q55-Y119 WeakPolarHBondContact CG-O 3.35Å; Q55-Y119 PolarHBondContact NE2-O 3.45Å; Y119-H121 PolarHBondContact O-N 2.88Å; Y119-F128 CarbonylContact C-O 3.56Å; Y119-F128 WeakPolarHBondContact CA-O 3.11Å; Y119-N129 HydrophobicContact CD1-CB 4.43Å; Y119-N129 HydrophobicContact CE1-CB 4.47Å; Y119-N129 WeakPolarHBondContact CE1-OD1 3.3Å
120	L	83.3	Confident	81.8	Confident	23 Å²	23	63.9 Å²	63.9	12%	0.12	30%	0.296	C	S	.	.	S	Bend	trans	-78.9	-1	-175.1	-53.9	-179.5	0	0	0	114.2	G53 L72 F128 Y130	G53-L120 WeakPolarHBondContact O-CD2 3.36Å; L72-L120 HydrophobicContact CD1-CB 3.57Å; L72-L120 HydrophobicContact CD1-CD1 4.04Å; L72-L120 HydrophobicContact CD1-CG 4.46Å; L120-F128 HydrophobicContact CB-CB 4.25Å; L120-F128 HydrophobicContact CB-CD1 4.47Å; L120-F128 PolarHBondContact N-O 3.13Å; L120-Y130 HydrophobicContact CD1-CD2 4.42Å; L120-Y130 HydrophobicContact CD1-CG 4.31Å; L120-Y130 HydrophobicContact CD2-CD1 4.01Å; L120-Y130 HydrophobicContact CD2-CG 4.08Å; L120-Y130 HydrophobicContact CG-CG 4.31Å
121	H	77.2	Confident	81.9	Confident	22 Å²	22	63 Å²	63	10%	0.102	29%	0.287	C	S	.	.	S	Bend	trans	-138.7	144.9	176.8	-172.4	-87.3	0	0	0	110.6	L72 Y119 N123 G124 F128	L72-H121 PolarHBondContact O-CD2 3.07Å; Y119-H121 PolarHBondContact O-N 2.88Å; H121-N123 VanDerWaalsContact C-N 3.33Å; H121-N123 PolarHBondContact ND1-N 3.37Å; H121-N123 VanDerWaalsContact ND1-N 3.17Å; H121-N123 PolarHBondContact O-N 3.17Å; H121-G124 PolarHBondContact O-N 3.37Å; H121-F128 HydrophobicContact CB-CB 3.91Å; H121-F128 HydrophobicContact CB-CD1 3.91Å; H121-F128 HydrophobicContact CB-CD2 3.22Å; H121-F128 HydrophobicContact CB-CE1 4.22Å; H121-F128 HydrophobicContact CB-CE2 3.55Å; H121-F128 HydrophobicContact CB-CG 3.4Å; H121-F128 HydrophobicContact CB-CZ 4.04Å; H121-F128 AromaticContact CG-CD2 3.87Å; H121-F128 AromaticContact CG-CE2 3.71Å
122	T	65.2	Low	81.7	Confident	61 Å²	61	59.5 Å²	59.5	37%	0.374	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.4	-172.4	51.9	0	0	0	0	114.1	Y57 P69 G124	Y57-T122 HydrophobicContact CE1-CG2 4.42Å; Y57-T122 WeakPolarHBondContact OH-CG2 3.22Å; P69-T122 HydrophobicContact CB-CG2 4.13Å; P69-T122 HydrophobicContact CG-CG2 4.4Å; T122-G124 PolarHBondContact O-N 3.23Å
123	N	61.6	Low	81.6	Confident	110 Å²	110	60.6 Å²	60.6	59%	0.588	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	2.6	-178.7	-63.9	-7.1	0	0	0	114.3	H121 F125	H121-N123 VanDerWaalsContact C-N 3.33Å; H121-N123 PolarHBondContact ND1-N 3.37Å; H121-N123 VanDerWaalsContact ND1-N 3.17Å; H121-N123 PolarHBondContact O-N 3.17Å; N123-F125 HydrophobicContact CB-CD2 3.8Å; N123-F125 HydrophobicContact CB-CE2 3.65Å; N123-F125 PolarHBondContact O-N 2.9Å; N123-F125 VanDerWaalsContact O-N 3.07Å
124	G	52.4	Low	81.6	Confident	38 Å²	38	57 Å²	57	39%	0.392	26%	0.264	S	S	.	.			trans	64.1	17.7	170.7	0	0	0	0	0	115.7	H121 T122 R126	H121-G124 PolarHBondContact O-N 3.37Å; T122-G124 PolarHBondContact O-N 3.23Å; G124-R126 PolarHBondContact O-N 3.27Å
125	F	57	Low	81.6	Confident	118 Å²	118	57 Å²	57	52%	0.518	26%	0.264	S	S	.	.			trans	-59.9	137.4	176.3	-70.8	-70	0	0	0	110.5	N123 F127 F128	N123-F125 HydrophobicContact CB-CD2 3.8Å; N123-F125 HydrophobicContact CB-CE2 3.65Å; N123-F125 PolarHBondContact O-N 2.9Å; N123-F125 VanDerWaalsContact O-N 3.07Å; F125-F127 PolarHBondContact O-N 2.97Å; F125-F128 HydrophobicContact CB-CD2 4.03Å; F125-F128 HydrophobicContact CB-CE2 4.4Å; F125-F128 PolarHBondContact O-N 3.42Å
126	R	55	Low	81.7	Confident	228 Å²	228	51.9 Å²	51.9	86%	0.86	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-51.2	-28.1	-179.5	-71	-176.8	180	174.2	0.6	113.8	G124 F128 N129	G124-R126 PolarHBondContact O-N 3.27Å; R126-F128 PolarHBondContact O-N 2.9Å; R126-N129 VanDerWaalsContact O-CB 3.29Å; R126-N129 WeakPolarHBondContact O-CB 3.33Å; R126-N129 PolarHBondContact O-N 2.91Å
127	F	57.5	Low	81.8	Confident	197 Å²	197	53.5 Å²	53.5	86%	0.864	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-63	-21.8	176.8	-67.8	-72.7	0	0	0	114.2	F125	F125-F127 PolarHBondContact O-N 2.97Å
128	F	74	Confident	81.8	Confident	50 Å²	50	53.5 Å²	53.5	22%	0.219	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-102.9	11.8	179.5	-60.9	-67.6	0	0	0	113.3	L72 Y119 L120 H121 F125 R126 Y130	L72-F128 HydrophobicContact CB-CD1 4.28Å; L72-F128 HydrophobicContact CB-CE1 3.74Å; L72-F128 HydrophobicContact CB-CZ 4.46Å; L72-F128 HydrophobicContact CD1-CD1 3.75Å; L72-F128 HydrophobicContact CD1-CE1 3.91Å; L72-F128 HydrophobicContact CG-CE1 4.33Å; Y119-F128 CarbonylContact C-O 3.56Å; Y119-F128 WeakPolarHBondContact CA-O 3.11Å; L120-F128 HydrophobicContact CB-CB 4.25Å; L120-F128 HydrophobicContact CB-CD1 4.47Å; L120-F128 PolarHBondContact N-O 3.13Å; H121-F128 HydrophobicContact CB-CB 3.91Å; H121-F128 HydrophobicContact CB-CD1 3.91Å; H121-F128 HydrophobicContact CB-CD2 3.22Å; H121-F128 HydrophobicContact CB-CE1 4.22Å; H121-F128 HydrophobicContact CB-CE2 3.55Å; H121-F128 HydrophobicContact CB-CG 3.4Å; H121-F128 HydrophobicContact CB-CZ 4.04Å; H121-F128 AromaticContact CG-CD2 3.87Å; H121-F128 AromaticContact CG-CE2 3.71Å; F125-F128 HydrophobicContact CB-CD2 4.03Å; F125-F128 HydrophobicContact CB-CE2 4.4Å; F125-F128 PolarHBondContact O-N 3.42Å; R126-F128 PolarHBondContact O-N 2.9Å; F128-Y130 PolarHBondContact O-N 3.47Å
129	N	86	Confident	81.8	Confident	55 Å²	55	56.4 Å²	56.4	29%	0.294	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-67.6	126.6	179.9	-156.3	4.4	0	0	0	110.2	E118 Y119 R126 G132 P133	E118-N129 PolarHBondContact O-OD1 2.58Å; Y119-N129 HydrophobicContact CD1-CB 4.43Å; Y119-N129 HydrophobicContact CE1-CB 4.47Å; Y119-N129 WeakPolarHBondContact CE1-OD1 3.3Å; R126-N129 VanDerWaalsContact O-CB 3.29Å; R126-N129 WeakPolarHBondContact O-CB 3.33Å; R126-N129 PolarHBondContact O-N 2.91Å; N129-G132 WeakPolarHBondContact OD1-CA 3.15Å; N129-P133 WeakPolarHBondContact ND2-CG 3.45Å; N129-P133 VanDerWaalsContact OD1-CD 3.24Å; N129-P133 WeakPolarHBondContact OD1-CD 3.32Å
130	Y	94.3	Very high	81.9	Confident	8 Å²	8	60.3 Å²	60.3	3%	0.031	29%	0.289	C	S	.	.	S	Bend	trans	-123.8	-94.6	-176.7	-170.6	-125.3	0	0	0	110.3	P49 G50 G53 I117 E118 L120 F128 G132 P133 H192 V392 L395	P49-Y130 HydrophobicContact CB-CE1 3.75Å; G50-Y130 PolarHBondContact N-OH 2.98Å; G53-Y130 WeakPolarHBondContact O-CD1 3.43Å; G53-Y130 WeakPolarHBondContact O-CE1 3.25Å; I117-Y130 WeakPolarHBondContact O-CB 3.41Å; I117-Y130 WeakPolarHBondContact O-CD1 3.2Å; E118-Y130 PolarHBondContact O-N 2.97Å; L120-Y130 HydrophobicContact CD1-CD2 4.42Å; L120-Y130 HydrophobicContact CD1-CG 4.31Å; L120-Y130 HydrophobicContact CD2-CD1 4.01Å; L120-Y130 HydrophobicContact CD2-CG 4.08Å; L120-Y130 HydrophobicContact CG-CG 4.31Å; F128-Y130 PolarHBondContact O-N 3.47Å; Y130-G132 VanDerWaalsContact C-N 3.27Å; Y130-G132 PolarHBondContact O-N 3.17Å; Y130-P133 VanDerWaalsContact O-CD 3.27Å; Y130-P133 WeakPolarHBondContact O-CD 3.11Å; Y130-H192 AromaticContact CE2-CE1 3.88Å; Y130-H192 AromaticContact CE2-ND1 3.85Å; Y130-H192 AromaticContact CZ-ND1 3.58Å; Y130-H192 PolarHBondContact OH-CE1 2.82Å; Y130-H192 PolarHBondContact OH-ND1 3.49Å; Y130-V392 HydrophobicContact CD2-CG1 3.63Å; Y130-V392 HydrophobicContact CE2-CG1 3.96Å; Y130-V392 HydrophobicContact CE2-CG2 4.29Å; Y130-L395 HydrophobicContact CD2-CD1 3.79Å; Y130-L395 HydrophobicContact CE1-CD1 4.44Å; Y130-L395 HydrophobicContact CE2-CD1 3.64Å; Y130-L395 HydrophobicContact CG-CD1 4.27Å
131	F	96.8	Very high	82.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-79.6	-6.4	172.1	-76.8	-68.5	0	0	0	114	L47 P49 I117 P133 L134 V135 L190 H192 L395	L47-F131 HydrophobicContact CB-CD1 4.4Å; L47-F131 HydrophobicContact CB-CD2 4.42Å; L47-F131 HydrophobicContact CB-CE1 4.26Å; L47-F131 HydrophobicContact CB-CE2 4.25Å; L47-F131 HydrophobicContact CB-CG 4.47Å; L47-F131 HydrophobicContact CB-CZ 4.17Å; L47-F131 HydrophobicContact CD1-CB 4.08Å; L47-F131 HydrophobicContact CD1-CD1 3.92Å; L47-F131 HydrophobicContact CD1-CE1 4.5Å; L47-F131 HydrophobicContact CD1-CG 3.99Å; L47-F131 HydrophobicContact CD2-CD1 4.43Å; L47-F131 HydrophobicContact CD2-CE1 4.31Å; L47-F131 HydrophobicContact CG-CD1 4.49Å; P49-F131 HydrophobicContact CB-CE2 4.15Å; I117-F131 HydrophobicContact CB-CD2 4.01Å; I117-F131 HydrophobicContact CD1-CD2 3.74Å; I117-F131 HydrophobicContact CD1-CE2 4.17Å; I117-F131 HydrophobicContact CD1-CG 4.45Å; I117-F131 HydrophobicContact CG1-CD2 4.02Å; I117-F131 WeakPolarHBondContact O-CB 3.5Å; I117-F131 PolarHBondContact O-N 2.89Å; F131-P133 VanDerWaalsContact C-N 3.34Å; F131-L134 HydrophobicContact CD1-CD2 4.08Å; F131-L134 HydrophobicContact CE1-CD2 4.41Å; F131-L134 PolarHBondContact O-N 3.41Å; F131-L134 VanDerWaalsContact O-N 3.08Å; F131-V135 HydrophobicContact CB-CG2 4.2Å; F131-V135 WeakPolarHBondContact O-CB 3.45Å; F131-V135 WeakPolarHBondContact O-CG2 3.48Å; F131-V135 PolarHBondContact O-N 2.75Å; F131-L190 HydrophobicContact CE1-CD2 3.82Å; F131-L190 HydrophobicContact CZ-CD2 4.27Å; F131-H192 HydrophobicContact CE1-CB 4.46Å; F131-H192 HydrophobicContact CZ-CB 3.89Å; F131-L395 HydrophobicContact CD1-CD1 3.96Å; F131-L395 HydrophobicContact CD1-CD2 4.11Å; F131-L395 HydrophobicContact CE1-CD1 3.87Å; F131-L395 HydrophobicContact CE1-CD2 3.66Å; F131-L395 HydrophobicContact CE1-CG 4.39Å; F131-L395 HydrophobicContact CG-CD1 4.38Å; F131-L395 HydrophobicContact CZ-CD1 4.24Å; F131-L395 HydrophobicContact CZ-CD2 4.46Å
132	G	95	Very high	83	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-47.8	-45.1	-179.3	0	0	0	0	0	114.7	E118 N129 Y130 N136	E118-G132 PolarHBondContact O-N 3.09Å; E118-G132 VanDerWaalsContact O-N 3.13Å; N129-G132 WeakPolarHBondContact OD1-CA 3.15Å; Y130-G132 VanDerWaalsContact C-N 3.27Å; Y130-G132 PolarHBondContact O-N 3.17Å; G132-N136 VanDerWaalsContact O-CB 3.27Å; G132-N136 WeakPolarHBondContact O-CB 3.49Å; G132-N136 PolarHBondContact O-N 3.19Å; G132-N136 PolarHBondContact O-ND2 2.78Å; G132-N136 VanDerWaalsContact O-ND2 3.09Å
133	P	95.3	Very high	84.4	Confident	24 Å²	24	64.1 Å²	64.1	16%	0.156	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-43.4	179.4	-21.4	37.4	0	0	0	112.2	N129 Y130 F131 F137 A396	N129-P133 WeakPolarHBondContact ND2-CG 3.45Å; N129-P133 VanDerWaalsContact OD1-CD 3.24Å; N129-P133 WeakPolarHBondContact OD1-CD 3.32Å; Y130-P133 VanDerWaalsContact O-CD 3.27Å; Y130-P133 WeakPolarHBondContact O-CD 3.11Å; F131-P133 VanDerWaalsContact C-N 3.34Å; P133-F137 WeakPolarHBondContact O-CB 3.44Å; P133-F137 PolarHBondContact O-N 3.25Å; P133-A396 HydrophobicContact CB-CB 3.89Å; P133-A396 HydrophobicContact CG-CB 3.72Å
134	L	97.5	Very high	86.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-46.4	178.3	177	61.5	0	0	0	111.5	L47 F131 F137 L138 L190 F400 L401 V404	L47-L134 HydrophobicContact CD1-CD2 4.48Å; L47-L134 HydrophobicContact CD2-CD2 3.82Å; F131-L134 HydrophobicContact CD1-CD2 4.08Å; F131-L134 HydrophobicContact CE1-CD2 4.41Å; F131-L134 PolarHBondContact O-N 3.41Å; F131-L134 VanDerWaalsContact O-N 3.08Å; L134-F137 WeakPolarHBondContact O-CB 3.41Å; L134-F137 PolarHBondContact O-N 3.08Å; L134-F137 VanDerWaalsContact O-N 3.16Å; L134-L138 HydrophobicContact CD1-CD1 4.05Å; L134-L138 HydrophobicContact CD1-CG 4.08Å; L134-L138 HydrophobicContact CG-CD1 4.15Å; L134-L138 WeakPolarHBondContact O-CG 3.35Å; L134-L138 PolarHBondContact O-N 3.34Å; L134-L190 HydrophobicContact CD2-CD1 3.94Å; L134-F400 HydrophobicContact CD2-CE1 4.3Å; L134-L401 HydrophobicContact CB-CD2 3.84Å; L134-L401 HydrophobicContact CD1-CD2 3.71Å; L134-L401 HydrophobicContact CG-CD2 4.4Å; L134-V404 HydrophobicContact CD1-CB 4.03Å; L134-V404 HydrophobicContact CD1-CG1 3.92Å; L134-V404 HydrophobicContact CD1-CG2 4.36Å
135	V	97.2	Very high	88.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-50.6	178.5	168	0	0	0	0	110.6	L47 T114 E118 F131 F137 L138 E139 K146 L150	L47-V135 HydrophobicContact CD1-CG2 3.62Å; T114-V135 HydrophobicContact CG2-CG2 4.13Å; E118-V135 HydrophobicContact CG-CB 3.99Å; E118-V135 HydrophobicContact CG-CG1 4.01Å; E118-V135 HydrophobicContact CG-CG2 3.88Å; F131-V135 HydrophobicContact CB-CG2 4.2Å; F131-V135 WeakPolarHBondContact O-CB 3.45Å; F131-V135 WeakPolarHBondContact O-CG2 3.48Å; F131-V135 PolarHBondContact O-N 2.75Å; V135-F137 PolarHBondContact O-N 3.07Å; V135-L138 PolarHBondContact O-N 3.21Å; V135-E139 WeakPolarHBondContact O-CG 3.11Å; V135-E139 PolarHBondContact O-N 3.32Å; V135-K146 HydrophobicContact CG1-CD 4.3Å; V135-K146 HydrophobicContact CG1-CG 4.33Å; V135-L150 HydrophobicContact CB-CD2 4.3Å; V135-L150 HydrophobicContact CG1-CD2 3.83Å; V135-L150 HydrophobicContact CG2-CD2 4.33Å
136	N	95.5	Very high	90.1	Very high	72 Å²	72	56.8 Å²	56.8	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-31.1	176.4	-69.2	-25.1	0	0	0	112.7	G132	G132-N136 VanDerWaalsContact O-CB 3.27Å; G132-N136 WeakPolarHBondContact O-CB 3.49Å; G132-N136 PolarHBondContact O-N 3.19Å; G132-N136 PolarHBondContact O-ND2 2.78Å; G132-N136 VanDerWaalsContact O-ND2 3.09Å
137	F	95.8	Very high	92.1	Very high	37 Å²	37	49.1 Å²	49.1	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-72.1	-41.6	178.3	-165.8	-103.9	0	0	0	111.7	P133 L134 V135 K140 L401 Q402 Q405	P133-F137 WeakPolarHBondContact O-CB 3.44Å; P133-F137 PolarHBondContact O-N 3.25Å; L134-F137 WeakPolarHBondContact O-CB 3.41Å; L134-F137 PolarHBondContact O-N 3.08Å; L134-F137 VanDerWaalsContact O-N 3.16Å; V135-F137 PolarHBondContact O-N 3.07Å; F137-K140 WeakPolarHBondContact O-CB 3.42Å; F137-K140 WeakPolarHBondContact O-CG 3.46Å; F137-L401 HydrophobicContact CB-CD1 4.41Å; F137-L401 HydrophobicContact CB-CD2 4.28Å; F137-L401 HydrophobicContact CD1-CB 3.82Å; F137-L401 HydrophobicContact CD2-CB 4.39Å; F137-L401 HydrophobicContact CD2-CD1 4.25Å; F137-L401 HydrophobicContact CE1-CB 3.9Å; F137-L401 VanDerWaalsContact CE1-O 3.26Å; F137-L401 WeakPolarHBondContact CE1-O 3.34Å; F137-L401 HydrophobicContact CE2-CB 4.5Å; F137-L401 HydrophobicContact CG-CB 4.07Å; F137-L401 HydrophobicContact CG-CD1 4.28Å; F137-L401 HydrophobicContact CZ-CB 4.27Å; F137-Q402 HydrophobicContact CZ-CG 4.42Å; F137-Q405 HydrophobicContact CD1-CB 4.11Å; F137-Q405 HydrophobicContact CE1-CB 3.63Å; F137-Q405 HydrophobicContact CE1-CG 4.18Å
138	L	96.5	Very high	94	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-71.4	-39	178.9	-69.9	177.7	0	0	0	113	I45 L134 V135 K140 N141 F144 L150 V404 V408	I45-L138 HydrophobicContact CG2-CD1 3.94Å; L134-L138 HydrophobicContact CD1-CD1 4.05Å; L134-L138 HydrophobicContact CD1-CG 4.08Å; L134-L138 HydrophobicContact CG-CD1 4.15Å; L134-L138 WeakPolarHBondContact O-CG 3.35Å; L134-L138 PolarHBondContact O-N 3.34Å; V135-L138 PolarHBondContact O-N 3.21Å; L138-K140 PolarHBondContact O-N 3.23Å; L138-N141 PolarHBondContact O-N 3.17Å; L138-F144 HydrophobicContact CB-CB 4.18Å; L138-F144 HydrophobicContact CB-CD1 4.42Å; L138-F144 HydrophobicContact CB-CD2 4.21Å; L138-F144 HydrophobicContact CB-CG 3.99Å; L138-F144 HydrophobicContact CD2-CE2 4.39Å; L138-F144 WeakPolarHBondContact O-CD2 3.27Å; L138-L150 HydrophobicContact CB-CD2 4.33Å; L138-L150 HydrophobicContact CD1-CD1 4.07Å; L138-V404 HydrophobicContact CD2-CG1 4.41Å; L138-V408 HydrophobicContact CD2-CG2 3.74Å
139	E	94.8	Very high	95.1	Very high	72 Å²	72	38.2 Å²	38.2	34%	0.336	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.5	178	-76.6	-173	115.7	0	0	114	V135 N141 K146 L150	V135-E139 WeakPolarHBondContact O-CG 3.11Å; V135-E139 PolarHBondContact O-N 3.32Å; E139-N141 PolarHBondContact O-N 2.76Å; E139-K146 HydrophobicContact CG-CG 4.48Å; E139-K146 WeakPolarHBondContact OE1-CD 3.32Å; E139-K146 VanDerWaalsContact OE1-CE 3.25Å; E139-K146 WeakPolarHBondContact OE1-CE 3.33Å; E139-K146 VanDerWaalsContact OE1-CG 3.29Å; E139-K146 WeakPolarHBondContact OE1-CG 3.19Å; E139-K146 IonicContact OE1-NZ 2.8Å; E139-K146 WeakPolarHBondContact OE2-CE 3.37Å; E139-K146 IonicContact OE2-NZ 2.9Å; E139-K146 PolarHBondContact OE2-NZ 2.85Å; E139-L150 HydrophobicContact CG-CD2 4.17Å
140	K	93	Very high	95.7	Very high	150 Å²	150	35.6 Å²	35.6	65%	0.652	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-28	171.2	-63.8	-179.8	-178.6	176.9	0	112.5	F137 L138	F137-K140 WeakPolarHBondContact O-CB 3.42Å; F137-K140 WeakPolarHBondContact O-CG 3.46Å; L138-K140 PolarHBondContact O-N 3.23Å
141	N	91	Very high	95.9	Very high	29 Å²	29	36 Å²	36	16%	0.155	17%	0.169	C	C	.	.	S	Bend	trans	-92.5	124.8	170.2	175	-25	0	0	0	108.8	L138 E139 F143 F144 T409	L138-N141 PolarHBondContact O-N 3.17Å; E139-N141 PolarHBondContact O-N 2.76Å; N141-F143 PolarHBondContact O-N 2.91Å; N141-F143 VanDerWaalsContact OD1-CB 3.28Å; N141-F143 WeakPolarHBondContact OD1-CB 3.44Å; N141-F143 PolarHBondContact OD1-N 2.86Å; N141-F144 HydrophobicContact CB-CD2 3.92Å; N141-F144 HydrophobicContact CB-CE2 4.25Å; N141-F144 PolarHBondContact O-N 3.19Å; N141-T409 WeakPolarHBondContact ND2-CG2 3.5Å
142	K	92.2	Very high	96	Very high	151 Å²	151	36 Å²	36	66%	0.657	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.1	-175.9	-66	177.5	-178.4	173.8	0	114.4	V37 F144	V37-K142 HydrophobicContact CG1-CB 3.79Å; V37-K142 HydrophobicContact CG2-CB 4.22Å; V37-K142 HydrophobicContact CG2-CD 4.48Å; K142-F144 VanDerWaalsContact C-N 3.32Å
143	F	94.5	Very high	96.2	Very high	6 Å²	6	36 Å²	36	3%	0.026	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-34.2	173.7	174.9	-93.6	0	0	0	112.3	L34 S42 N43 P44 N141 I145 T149 A182	L34-F143 HydrophobicContact CD2-CD2 3.54Å; L34-F143 HydrophobicContact CD2-CE2 3.98Å; L34-F143 HydrophobicContact CD2-CG 4.42Å; S42-F143 VanDerWaalsContact CB-CG 3.46Å; S42-F143 WeakPolarHBondContact O-CE2 3.45Å; S42-F143 WeakPolarHBondContact O-CZ 3.48Å; N43-F143 VanDerWaalsContact C-CE1 3.47Å; P44-F143 HydrophobicContact CB-CE1 4.33Å; P44-F143 HydrophobicContact CB-CZ 4.28Å; N141-F143 PolarHBondContact O-N 2.91Å; N141-F143 VanDerWaalsContact OD1-CB 3.28Å; N141-F143 WeakPolarHBondContact OD1-CB 3.44Å; N141-F143 PolarHBondContact OD1-N 2.86Å; F143-I145 PolarHBondContact O-N 2.85Å; F143-T149 HydrophobicContact CE1-CG2 4.3Å; F143-T149 HydrophobicContact CE2-CG2 4.25Å; F143-T149 HydrophobicContact CZ-CG2 3.96Å; F143-T149 WeakPolarHBondContact O-CB 3.46Å; F143-T149 PolarHBondContact O-OG1 2.98Å; F143-A182 HydrophobicContact CE2-CB 4.33Å; F143-A182 HydrophobicContact CZ-CB 3.89Å
144	F	96.5	Very high	96.3	Very high	6 Å²	6	35 Å²	35	3%	0.026	16%	0.163	C	C	.	.			trans	-85.9	100	-177.4	-63.9	-77	0	0	0	110.9	N43 I45 L138 N141 K142 T149 L150 V408 T409	N43-F144 WeakPolarHBondContact O-CE1 3.46Å; I45-F144 HydrophobicContact CG2-CD1 4.2Å; I45-F144 HydrophobicContact CG2-CE1 4.11Å; L138-F144 HydrophobicContact CB-CB 4.18Å; L138-F144 HydrophobicContact CB-CD1 4.42Å; L138-F144 HydrophobicContact CB-CD2 4.21Å; L138-F144 HydrophobicContact CB-CG 3.99Å; L138-F144 HydrophobicContact CD2-CE2 4.39Å; L138-F144 WeakPolarHBondContact O-CD2 3.27Å; N141-F144 HydrophobicContact CB-CD2 3.92Å; N141-F144 HydrophobicContact CB-CE2 4.25Å; N141-F144 PolarHBondContact O-N 3.19Å; K142-F144 VanDerWaalsContact C-N 3.32Å; F144-T149 WeakPolarHBondContact CA-OG1 3.42Å; F144-L150 HydrophobicContact CB-CB 4.29Å; F144-L150 HydrophobicContact CB-CD2 4.46Å; F144-L150 HydrophobicContact CD1-CB 4.4Å; F144-V408 HydrophobicContact CE1-CB 4.2Å; F144-V408 HydrophobicContact CE1-CG2 3.89Å; F144-V408 HydrophobicContact CE2-CG2 3.78Å; F144-V408 HydrophobicContact CZ-CB 3.68Å; F144-V408 HydrophobicContact CZ-CG2 3.17Å; F144-T409 HydrophobicContact CE2-CG2 3.83Å; F144-T409 HydrophobicContact CZ-CG2 4.38Å
145	I	96.9	Very high	96.3	Very high	50 Å²	50	35.5 Å²	35.5	26%	0.256	17%	0.165	S	C	.	.			trans	-112.1	121	178.6	-56.7	170.3	0	0	0	107	F143 N147 F148 T149 L150	F143-I145 PolarHBondContact O-N 2.85Å; I145-N147 PolarHBondContact O-N 3.1Å; I145-F148 HydrophobicContact CB-CB 4.14Å; I145-F148 HydrophobicContact CD1-CD1 4.44Å; I145-F148 HydrophobicContact CG2-CB 4.1Å; I145-F148 PolarHBondContact O-N 2.7Å; I145-F148 VanDerWaalsContact O-N 3.1Å; I145-T149 PolarHBondContact N-OG1 3.47Å; I145-T149 PolarHBondContact O-N 2.94Å; I145-L150 PolarHBondContact O-N 3.19Å; I145-L150 VanDerWaalsContact O-N 3.09Å
146	K	97.3	Very high	96.4	Very high	57 Å²	57	36.3 Å²	36.3	25%	0.248	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-49.1	139.2	173.7	-76.3	176	171.5	160.1	0	110.9	E118 V135 E139 F148 L150	E118-K146 WeakPolarHBondContact OE1-CE 3.46Å; E118-K146 IonicContact OE1-NZ 3.59Å; E118-K146 PolarHBondContact OE1-NZ 3.1Å; E118-K146 WeakPolarHBondContact OE2-CE 3.49Å; E118-K146 IonicContact OE2-NZ 3.48Å; E118-K146 PolarHBondContact OE2-NZ 3.02Å; V135-K146 HydrophobicContact CG1-CD 4.3Å; V135-K146 HydrophobicContact CG1-CG 4.33Å; E139-K146 HydrophobicContact CG-CG 4.48Å; E139-K146 WeakPolarHBondContact OE1-CD 3.32Å; E139-K146 VanDerWaalsContact OE1-CE 3.25Å; E139-K146 WeakPolarHBondContact OE1-CE 3.33Å; E139-K146 VanDerWaalsContact OE1-CG 3.29Å; E139-K146 WeakPolarHBondContact OE1-CG 3.19Å; E139-K146 IonicContact OE1-NZ 2.8Å; E139-K146 WeakPolarHBondContact OE2-CE 3.37Å; E139-K146 IonicContact OE2-NZ 2.9Å; E139-K146 PolarHBondContact OE2-NZ 2.85Å; K146-F148 PolarHBondContact O-N 3.45Å; K146-F148 VanDerWaalsContact O-N 3.13Å; K146-L150 CarbonylContact C-O 3.46Å; K146-L150 WeakPolarHBondContact CA-O 3.41Å; K146-L150 HydrophobicContact CG-CD2 4.45Å
147	N	96.3	Very high	96.5	Very high	67 Å²	67	32.9 Å²	32.9	36%	0.358	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	12.9	176.9	-44.6	-12	0	0	0	113.3	E113 I145 L150	E113-N147 WeakPolarHBondContact CA-OD1 3.33Å; E113-N147 VanDerWaalsContact CB-OD1 3.3Å; E113-N147 WeakPolarHBondContact CB-OD1 3.5Å; E113-N147 HydrophobicContact CG-CB 4.43Å; I145-N147 PolarHBondContact O-N 3.1Å; N147-L150 PolarHBondContact N-O 3.13Å
148	F	97.8	Very high	96.6	Very high	18 Å²	18	31.2 Å²	31.2	8%	0.079	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	-66.9	179.1	-165.3	-118.1	0	0	0	112.3	K30 L34 I145 K146 N181	K30-F148 HydrophobicContact CB-CD1 4.46Å; K30-F148 HydrophobicContact CB-CE1 3.85Å; K30-F148 HydrophobicContact CB-CZ 3.92Å; K30-F148 HydrophobicContact CD-CD1 4.14Å; K30-F148 HydrophobicContact CD-CD2 4.03Å; K30-F148 HydrophobicContact CD-CE1 4.21Å; K30-F148 HydrophobicContact CD-CE2 4.1Å; K30-F148 HydrophobicContact CD-CG 4.05Å; K30-F148 HydrophobicContact CD-CZ 4.2Å; L34-F148 HydrophobicContact CD1-CE1 3.85Å; I145-F148 HydrophobicContact CB-CB 4.14Å; I145-F148 HydrophobicContact CD1-CD1 4.44Å; I145-F148 HydrophobicContact CG2-CB 4.1Å; I145-F148 PolarHBondContact O-N 2.7Å; I145-F148 VanDerWaalsContact O-N 3.1Å; K146-F148 PolarHBondContact O-N 3.45Å; K146-F148 VanDerWaalsContact O-N 3.13Å; F148-N181 HydrophobicContact CD1-CB 4.25Å; F148-N181 HydrophobicContact CD2-CB 3.83Å; F148-N181 WeakPolarHBondContact CD2-ND2 3.22Å; F148-N181 HydrophobicContact CE1-CB 4Å; F148-N181 WeakPolarHBondContact CE1-O 3.49Å; F148-N181 HydrophobicContact CE2-CB 3.56Å; F148-N181 WeakPolarHBondContact CE2-OD1 3.08Å; F148-N181 HydrophobicContact CG-CB 4.16Å; F148-N181 HydrophobicContact CZ-CB 3.65Å; F148-N181 PolarHBondContact O-ND2 2.85Å
149	T	97.8	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-18.1	176.4	51.3	0	0	0	0	112.8	L34 P44 I45 F143 F144 I145 A182	L34-T149 HydrophobicContact CD1-CG2 4.48Å; P44-T149 CarbonylContact C-O 3.56Å; P44-T149 VanDerWaalsContact CA-O 3.27Å; P44-T149 WeakPolarHBondContact CA-O 3.45Å; P44-T149 HydrophobicContact CB-CG2 4.48Å; P44-T149 WeakPolarHBondContact CB-O 3.28Å; I45-T149 PolarHBondContact N-O 3.24Å; F143-T149 HydrophobicContact CE1-CG2 4.3Å; F143-T149 HydrophobicContact CE2-CG2 4.25Å; F143-T149 HydrophobicContact CZ-CG2 3.96Å; F143-T149 WeakPolarHBondContact O-CB 3.46Å; F143-T149 PolarHBondContact O-OG1 2.98Å; F144-T149 WeakPolarHBondContact CA-OG1 3.42Å; I145-T149 PolarHBondContact N-OG1 3.47Å; I145-T149 PolarHBondContact O-N 2.94Å; T149-A182 HydrophobicContact CG2-CB 4.17Å
150	L	98.5	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.7	169.5	171.9	57.5	0	0	0	108	I45 L47 T114 V135 L138 E139 F144 I145 K146 N147	I45-L150 HydrophobicContact CG2-CD1 3.49Å; I45-L150 VanDerWaalsContact CG2-CD1 3.49Å; L47-L150 HydrophobicContact CD1-CD1 4.05Å; L47-L150 HydrophobicContact CG-CD1 4.32Å; T114-L150 HydrophobicContact CG2-CD1 4.33Å; T114-L150 HydrophobicContact CG2-CG 4.01Å; V135-L150 HydrophobicContact CB-CD2 4.3Å; V135-L150 HydrophobicContact CG1-CD2 3.83Å; V135-L150 HydrophobicContact CG2-CD2 4.33Å; L138-L150 HydrophobicContact CB-CD2 4.33Å; L138-L150 HydrophobicContact CD1-CD1 4.07Å; E139-L150 HydrophobicContact CG-CD2 4.17Å; F144-L150 HydrophobicContact CB-CB 4.29Å; F144-L150 HydrophobicContact CB-CD2 4.46Å; F144-L150 HydrophobicContact CD1-CB 4.4Å; I145-L150 PolarHBondContact O-N 3.19Å; I145-L150 VanDerWaalsContact O-N 3.09Å; K146-L150 CarbonylContact C-O 3.46Å; K146-L150 WeakPolarHBondContact CA-O 3.41Å; K146-L150 HydrophobicContact CG-CD2 4.45Å; N147-L150 PolarHBondContact N-O 3.13Å
151	R	98.7	Very high	96.8	Very high	15 Å²	15	22 Å²	22	6%	0.057	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.6	-171.1	-51.7	-67.8	-72.6	-93.9	6.7	111.4	I45 I46 L47 G112 L174 E177 T178 N181	I45-R151 PolarHBondContact O-N 3.09Å; I46-R151 WeakPolarHBondContact CA-O 3.36Å; I46-R151 HydrophobicContact CG1-CB 4.04Å; I46-R151 HydrophobicContact CG1-CG 4.42Å; L47-R151 PolarHBondContact N-O 3.45Å; G112-R151 WeakPolarHBondContact O-CD 3.27Å; G112-R151 PolarHBondContact O-NE 3.19Å; R151-L174 HydrophobicContact CB-CD1 4.45Å; R151-L174 HydrophobicContact CG-CD1 4.44Å; R151-E177 IonicContact CZ-OE1 2.68Å; R151-E177 IonicContact CZ-OE2 3.85Å; R151-E177 VanDerWaalsContact NH1-CD 3.32Å; R151-E177 IonicContact NH1-OE1 3.87Å; R151-E177 PolarHBondContact NH1-OE1 2.98Å; R151-E177 IonicContact NH1-OE2 3.95Å; R151-E177 IonicContact NH2-OE1 3.63Å; R151-E177 PolarHBondContact NH2-OE1 2.78Å; R151-E177 VanDerWaalsContact NH2-OE1 3.08Å; R151-E177 IonicContact NH2-OE2 3.64Å; R151-E177 PolarHBondContact NH2-OE2 2.77Å; R151-E177 VanDerWaalsContact NH2-OE2 3.11Å; R151-T178 HydrophobicContact CG-CG2 4.11Å; R151-T178 WeakPolarHBondContact CG-OG1 3.09Å; R151-T178 PolarHBondContact NH1-OG1 3.49Å; R151-N181 PolarHBondContact NH1-ND2 2.93Å
152	G	98.6	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	152.4	167.5	0	0	0	0	0	111.7	L47 G112 E113 P154	L47-G152 WeakPolarHBondContact O-CA 3.33Å; G112-G152 CarbonylContact C-O 3.56Å; G112-G152 WeakPolarHBondContact CA-O 3.41Å; G112-G152 PolarHBondContact N-O 3.06Å; E113-G152 WeakPolarHBondContact O-CA 3.42Å; E113-G152 PolarHBondContact O-N 2.92Å; G152-P154 WeakPolarHBondContact O-CD 3.26Å
153	A	98.6	Very high	97.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.			trans	-122.2	67.6	174.3	0	0	0	0	0	110.6	I46 L47 I48 P49 W111 Y155 L171 L174	I46-A153 HydrophobicContact CG2-CB 4.1Å; L47-A153 PolarHBondContact O-N 2.92Å; I48-A153 HydrophobicContact CG1-CB 4.19Å; P49-A153 WeakPolarHBondContact CD-O 3.32Å; W111-A153 HydrophobicContact CH2-CB 4.08Å; W111-A153 HydrophobicContact CZ3-CB 4.22Å; A153-Y155 WeakPolarHBondContact O-CD1 3.44Å; A153-L171 HydrophobicContact CB-CD1 4.22Å; A153-L174 HydrophobicContact CB-CD2 4.08Å
154	P	97.7	Very high	97.1	Very high	4 Å²	4	16.8 Å²	16.8	3%	0.026	8%	0.08	C	C	.	.			trans	-64.1	146.4	175.2	28.8	-35.6	0	0	0	111.3	T54 P109 G110 W111 I117 G152	T54-P154 HydrophobicContact CG2-CB 4.31Å; T54-P154 WeakPolarHBondContact OG1-CB 3.24Å; P109-P154 VanDerWaalsContact O-CG 3.32Å; P109-P154 WeakPolarHBondContact O-CG 3.27Å; G110-P154 WeakPolarHBondContact O-CD 3.11Å; G110-P154 VanDerWaalsContact O-CG 3.24Å; G110-P154 WeakPolarHBondContact O-CG 3.23Å; W111-P154 WeakPolarHBondContact CZ3-O 3.16Å; I117-P154 HydrophobicContact CG2-CB 4Å; G152-P154 WeakPolarHBondContact O-CD 3.26Å
155	Y	98	Very high	97	Very high	10 Å²	10	21.8 Å²	21.8	4%	0.039	11%	0.111	C	C	.	.			trans	-150.9	171	-178.6	63.1	-84.9	0	0	0	110.8	I48 P49 T54 F108 A153 F157 F167 M194 Y198	I48-Y155 HydrophobicContact CG2-CE1 3.99Å; P49-Y155 HydrophobicContact CG-CD1 4.15Å; P49-Y155 HydrophobicContact CG-CE1 3.93Å; P49-Y155 VanDerWaalsContact O-CE1 3.24Å; P49-Y155 WeakPolarHBondContact O-CE1 3.24Å; P49-Y155 PolarHBondContact O-OH 3.22Å; P49-Y155 VanDerWaalsContact O-OH 3.05Å; T54-Y155 VanDerWaalsContact CG2-O 3.31Å; T54-Y155 WeakPolarHBondContact CG2-O 3.43Å; F108-Y155 WeakPolarHBondContact CD1-O 3.2Å; A153-Y155 WeakPolarHBondContact O-CD1 3.44Å; Y155-F157 HydrophobicContact CE2-CB 4.25Å; Y155-F157 PolarHBondContact O-N 2.92Å; Y155-F167 HydrophobicContact CD1-CD2 4.42Å; Y155-F167 AromaticContact CD1-CE2 3.71Å; Y155-F167 HydrophobicContact CD1-CE2 3.71Å; Y155-F167 HydrophobicContact CD1-CZ 4.38Å; Y155-F167 HydrophobicContact CG-CD2 4.1Å; Y155-F167 AromaticContact CG-CE2 3.84Å; Y155-F167 HydrophobicContact CG-CE2 3.84Å; Y155-M194 HydrophobicContact CE2-CE 4.06Å; Y155-Y198 HydrophobicContact CD2-CD1 4.43Å; Y155-Y198 AromaticContact CD2-CE1 3.8Å; Y155-Y198 HydrophobicContact CD2-CE1 3.8Å; Y155-Y198 AromaticContact CD2-CZ 3.89Å; Y155-Y198 HydrophobicContact CE2-CD1 4.11Å; Y155-Y198 HydrophobicContact CE2-CD2 4.15Å; Y155-Y198 AromaticContact CE2-CE1 3.65Å; Y155-Y198 HydrophobicContact CE2-CE1 3.65Å; Y155-Y198 AromaticContact CE2-CE2 3.69Å; Y155-Y198 HydrophobicContact CE2-CE2 3.69Å; Y155-Y198 HydrophobicContact CE2-CG 4.33Å; Y155-Y198 AromaticContact CE2-CZ 3.42Å; Y155-Y198 VanDerWaalsContact CE2-CZ 3.42Å; Y155-Y198 HydrophobicContact CG-CE1 4.45Å
156	D	97.9	Very high	96.9	Very high	17 Å²	17	23 Å²	23	9%	0.091	12%	0.118	C	C	.	.			trans	-69.6	93.7	171.4	-171.4	-10.1	0	0	0	110.2	F108 R158 K159 N164	F108-D156 HydrophobicContact CD2-CB 3.75Å; F108-D156 HydrophobicContact CE2-CB 3.39Å; F108-D156 WeakPolarHBondContact CE2-OD1 3.24Å; F108-D156 HydrophobicContact CG-CB 4.49Å; F108-D156 HydrophobicContact CZ-CB 3.86Å; F108-D156 VanDerWaalsContact CZ-CG 3.5Å; F108-D156 WeakPolarHBondContact CZ-OD1 3.15Å; D156-R158 PolarHBondContact O-N 2.92Å; D156-R158 VanDerWaalsContact OD1-CB 3.23Å; D156-R158 WeakPolarHBondContact OD1-CB 3.31Å; D156-R158 WeakPolarHBondContact OD1-CG 3.4Å; D156-R158 IonicContact OD1-CZ 2.64Å; D156-R158 PolarHBondContact OD1-N 2.87Å; D156-R158 VanDerWaalsContact OD1-N 3.1Å; D156-R158 IonicContact OD1-NE 2.87Å; D156-R158 PolarHBondContact OD1-NE 3.42Å; D156-R158 IonicContact OD1-NH2 3.18Å; D156-R158 IonicContact OD2-CZ 3.11Å; D156-R158 IonicContact OD2-NE 3.85Å; D156-R158 PolarHBondContact OD2-NE 2.9Å; D156-R158 IonicContact OD2-NH2 3.52Å; D156-R158 PolarHBondContact OD2-NH2 3.38Å; D156-K159 HydrophobicContact CB-CG 4.45Å; D156-K159 PolarHBondContact O-N 2.86Å; D156-K159 WeakPolarHBondContact OD2-CD 3.42Å; D156-K159 WeakPolarHBondContact OD2-CE 3.31Å; D156-N164 PolarHBondContact O-ND2 2.64Å
157	F	97.4	Very high	96.9	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.6	-177.5	62.9	-107.7	0	0	0	113.9	L51 T54 W71 F87 F108 Y155 M194 F258 S260	L51-F157 HydrophobicContact CG-CD2 4.46Å; T54-F157 HydrophobicContact CG2-CD1 3.6Å; T54-F157 HydrophobicContact CG2-CE1 4.07Å; W71-F157 AromaticContact CD1-CE1 3.91Å; W71-F157 AromaticContact CD1-CZ 3.77Å; W71-F157 HydrophobicContact CD2-CE1 4.49Å; W71-F157 HydrophobicContact CD2-CE2 4.38Å; W71-F157 AromaticContact CD2-CZ 3.62Å; W71-F157 HydrophobicContact CD2-CZ 3.62Å; W71-F157 AromaticContact CE2-CZ 3.54Å; W71-F157 HydrophobicContact CE3-CZ 4.22Å; W71-F157 HydrophobicContact CG-CE1 4.27Å; W71-F157 AromaticContact CG-CZ 3.8Å; W71-F157 HydrophobicContact CG-CZ 3.8Å; W71-F157 HydrophobicContact CZ2-CE2 4.21Å; W71-F157 HydrophobicContact CZ2-CZ 4.1Å; W71-F157 AromaticContact NE1-CE1 3.91Å; W71-F157 AromaticContact NE1-CZ 3.59Å; F87-F157 HydrophobicContact CE1-CE2 4.18Å; F87-F157 AromaticContact CE1-CZ 3.95Å; F87-F157 HydrophobicContact CE1-CZ 3.95Å; F87-F157 HydrophobicContact CZ-CE1 4.41Å; F87-F157 HydrophobicContact CZ-CE2 4.17Å; F87-F157 AromaticContact CZ-CZ 3.66Å; F87-F157 HydrophobicContact CZ-CZ 3.66Å; F108-F157 HydrophobicContact CD1-CD1 4.45Å; F108-F157 HydrophobicContact CD1-CE1 4.48Å; F108-F157 AromaticContact CE1-CD1 3.79Å; F108-F157 HydrophobicContact CE1-CD1 3.79Å; F108-F157 AromaticContact CE1-CE1 3.68Å; F108-F157 HydrophobicContact CE1-CE1 3.68Å; F108-F157 HydrophobicContact CE1-CZ 4.41Å; Y155-F157 HydrophobicContact CE2-CB 4.25Å; Y155-F157 PolarHBondContact O-N 2.92Å; F157-M194 HydrophobicContact CB-CE 4.23Å; F157-M194 VanDerWaalsContact O-CE 3.24Å; F157-M194 WeakPolarHBondContact O-CE 3.27Å; F157-F258 HydrophobicContact CE2-CE2 4.35Å; F157-S260 WeakPolarHBondContact O-CB 3.38Å; F157-S260 PolarHBondContact O-OG 2.68Å
158	R	98	Very high	96.8	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.5	176	-53.8	173.8	-70.9	166.6	5.1	111.7	F87 L89 N100 D156 F258 S259 S260	F87-R158 HydrophobicContact CE1-CG 4.07Å; F87-R158 HydrophobicContact CZ-CG 4.02Å; F87-R158 WeakPolarHBondContact O-CD 3.2Å; F87-R158 PolarHBondContact O-NH1 2.8Å; L89-R158 HydrophobicContact CD1-CB 3.55Å; L89-R158 HydrophobicContact CG-CB 4.43Å; N100-R158 PolarHBondContact OD1-NH1 3.05Å; N100-R158 PolarHBondContact OD1-NH2 3.3Å; D156-R158 PolarHBondContact O-N 2.92Å; D156-R158 VanDerWaalsContact OD1-CB 3.23Å; D156-R158 WeakPolarHBondContact OD1-CB 3.31Å; D156-R158 WeakPolarHBondContact OD1-CG 3.4Å; D156-R158 IonicContact OD1-CZ 2.64Å; D156-R158 PolarHBondContact OD1-N 2.87Å; D156-R158 VanDerWaalsContact OD1-N 3.1Å; D156-R158 IonicContact OD1-NE 2.87Å; D156-R158 PolarHBondContact OD1-NE 3.42Å; D156-R158 IonicContact OD1-NH2 3.18Å; D156-R158 IonicContact OD2-CZ 3.11Å; D156-R158 IonicContact OD2-NE 3.85Å; D156-R158 PolarHBondContact OD2-NE 2.9Å; D156-R158 IonicContact OD2-NH2 3.52Å; D156-R158 PolarHBondContact OD2-NH2 3.38Å; R158-F258 HydrophobicContact CB-CB 4.37Å; R158-F258 HydrophobicContact CB-CD1 3.59Å; R158-F258 HydrophobicContact CB-CD2 4.15Å; R158-F258 HydrophobicContact CB-CE1 3.87Å; R158-F258 HydrophobicContact CB-CE2 4.4Å; R158-F258 HydrophobicContact CB-CG 3.77Å; R158-F258 HydrophobicContact CB-CZ 4.27Å; R158-F258 VanDerWaalsContact CD-CE1 3.41Å; R158-F258 HydrophobicContact CG-CD1 3.8Å; R158-F258 HydrophobicContact CG-CD2 4.02Å; R158-F258 HydrophobicContact CG-CE1 3.54Å; R158-F258 HydrophobicContact CG-CE2 3.77Å; R158-F258 HydrophobicContact CG-CG 4.06Å; R158-F258 HydrophobicContact CG-CZ 3.53Å; R158-F258 CarbonylContact O-C 3.54Å; R158-F258 VanDerWaalsContact O-CA 3.31Å; R158-F258 WeakPolarHBondContact O-CA 3.35Å; R158-F258 WeakPolarHBondContact O-CB 3.01Å; R158-S259 PolarHBondContact O-N 3.33Å; R158-S259 PolarHBondContact O-OG 3.49Å; R158-S260 VanDerWaalsContact C-OG 3.22Å; R158-S260 WeakPolarHBondContact CA-OG 3.49Å; R158-S260 PolarHBondContact O-N 3.16Å; R158-S260 PolarHBondContact O-OG 3.44Å; R158-S260 VanDerWaalsContact O-OG 3.1Å
159	K	97.9	Very high	96.8	Very high	23 Å²	23	23.1 Å²	23.1	10%	0.1	12%	0.121	C	C	.	.	S	Bend	trans	-108.4	169.5	-172.7	-64.4	-165.7	174.9	-154	0	111.8	L89 S98 D156 E163 Y198 S259	L89-K159 HydrophobicContact CD1-CG 4.01Å; S98-K159 WeakPolarHBondContact O-CE 3.35Å; S98-K159 PolarHBondContact O-NZ 2.88Å; D156-K159 HydrophobicContact CB-CG 4.45Å; D156-K159 PolarHBondContact O-N 2.86Å; D156-K159 WeakPolarHBondContact OD2-CD 3.42Å; D156-K159 WeakPolarHBondContact OD2-CE 3.31Å; K159-E163 HydrophobicContact CB-CB 4.08Å; K159-E163 HydrophobicContact CD-CB 4.06Å; K159-E163 HydrophobicContact CG-CB 4.48Å; K159-Y198 PolarHBondContact O-OH 3.48Å; K159-S259 WeakPolarHBondContact CA-OG 3.32Å
160	L	96.5	Very high	96.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.			trans	-103.4	165.7	172.9	-70.1	176	0	0	0	111.7	Y162 E163 N164 Y198 S259 S263 A309 F313	L160-Y162 VanDerWaalsContact C-N 3.31Å; L160-Y162 HydrophobicContact CB-CD1 4.14Å; L160-Y162 HydrophobicContact CB-CE1 3.71Å; L160-Y162 HydrophobicContact CD1-CE1 3.73Å; L160-Y162 WeakPolarHBondContact CD1-OH 3.14Å; L160-Y162 HydrophobicContact CG-CE1 4.39Å; L160-Y162 PolarHBondContact O-N 3.11Å; L160-E163 WeakPolarHBondContact CB-OE2 3.5Å; L160-E163 PolarHBondContact N-OE2 3.36Å; L160-E163 WeakPolarHBondContact O-CB 3.36Å; L160-E163 PolarHBondContact O-N 3.23Å; L160-N164 PolarHBondContact O-N 2.78Å; L160-Y198 WeakPolarHBondContact CA-OH 3.3Å; L160-S259 PolarHBondContact N-OG 2.94Å; L160-S263 WeakPolarHBondContact CD2-OG 3.35Å; L160-A309 HydrophobicContact CD1-CB 3.39Å; L160-F313 HydrophobicContact CD2-CD1 3.42Å; L160-F313 VanDerWaalsContact CD2-CD1 3.42Å; L160-F313 HydrophobicContact CD2-CE1 3.56Å; L160-F313 HydrophobicContact CD2-CG 4.18Å; L160-F313 HydrophobicContact CD2-CZ 4.42Å; L160-F313 HydrophobicContact CG-CD1 4.48Å
161	P	94.6	Very high	96.8	Very high	7 Å²	7	26.7 Å²	26.7	5%	0.045	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32	-173.1	-24.7	32.6	0	0	0	115.5	E163 N164 M168 Y198 F313	P161-E163 PolarHBondContact O-N 2.97Å; P161-N164 CarbonylContact O-C 3.55Å; P161-N164 VanDerWaalsContact O-C 3.27Å; P161-N164 PolarHBondContact O-N 2.78Å; P161-N164 VanDerWaalsContact O-O 3.11Å; P161-M168 HydrophobicContact CB-CE 3.48Å; P161-M168 VanDerWaalsContact CB-CE 3.48Å; P161-M168 HydrophobicContact CG-CE 3.98Å; P161-Y198 HydrophobicContact CB-CE1 4.09Å; P161-Y198 VanDerWaalsContact CD-CZ 3.47Å; P161-Y198 WeakPolarHBondContact CD-OH 3.14Å; P161-Y198 HydrophobicContact CG-CD1 3.83Å; P161-Y198 HydrophobicContact CG-CD2 4.15Å; P161-Y198 HydrophobicContact CG-CE1 3.55Å; P161-Y198 HydrophobicContact CG-CE2 3.88Å; P161-Y198 HydrophobicContact CG-CG 4.13Å; P161-F313 VanDerWaalsContact CD-CD2 3.43Å; P161-F313 HydrophobicContact CG-CD2 3.37Å; P161-F313 HydrophobicContact CG-CE2 3.44Å; P161-F313 VanDerWaalsContact CG-CE2 3.44Å; P161-F313 HydrophobicContact CG-CG 4.19Å; P161-F313 HydrophobicContact CG-CZ 4.3Å
162	Y	93.5	Very high	96.8	Very high	41 Å²	41	29.1 Å²	29.1	16%	0.161	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.4	176.9	57.6	-102.4	0	0	0	112.5	D97 L160 T165 K308 E312 F313	D97-Y162 WeakPolarHBondContact OD1-CD2 3.45Å; D97-Y162 WeakPolarHBondContact OD1-CE2 3.04Å; L160-Y162 VanDerWaalsContact C-N 3.31Å; L160-Y162 HydrophobicContact CB-CD1 4.14Å; L160-Y162 HydrophobicContact CB-CE1 3.71Å; L160-Y162 HydrophobicContact CD1-CE1 3.73Å; L160-Y162 WeakPolarHBondContact CD1-OH 3.14Å; L160-Y162 HydrophobicContact CG-CE1 4.39Å; L160-Y162 PolarHBondContact O-N 3.11Å; Y162-T165 WeakPolarHBondContact O-CG2 3.3Å; Y162-K308 HydrophobicContact CE2-CD 4.01Å; Y162-E312 HydrophobicContact CD1-CB 3.72Å; Y162-E312 HydrophobicContact CE1-CB 4.06Å; Y162-E312 HydrophobicContact CG-CB 4.48Å; Y162-F313 HydrophobicContact CD1-CB 4.46Å; Y162-F313 HydrophobicContact CE1-CB 4.38Å
163	E	96.1	Very high	96.8	Very high	21 Å²	21	32.5 Å²	32.5	10%	0.098	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-30.5	174.3	-51.1	171.6	98	0	0	111.4	D97 S98 K159 L160 P161 T165 S259	D97-E163 HydrophobicContact CB-CG 4.42Å; S98-E163 WeakPolarHBondContact CA-OE1 3.34Å; S98-E163 WeakPolarHBondContact CB-OE1 3.29Å; S98-E163 PolarHBondContact N-OE1 3.42Å; S98-E163 PolarHBondContact OG-OE1 2.85Å; K159-E163 HydrophobicContact CB-CB 4.08Å; K159-E163 HydrophobicContact CD-CB 4.06Å; K159-E163 HydrophobicContact CG-CB 4.48Å; L160-E163 WeakPolarHBondContact CB-OE2 3.5Å; L160-E163 PolarHBondContact N-OE2 3.36Å; L160-E163 WeakPolarHBondContact O-CB 3.36Å; L160-E163 PolarHBondContact O-N 3.23Å; P161-E163 PolarHBondContact O-N 2.97Å; E163-T165 PolarHBondContact O-N 3.43Å; E163-S259 WeakPolarHBondContact OE2-CB 3.4Å; E163-S259 PolarHBondContact OE2-OG 2.9Å
164	N	95.6	Very high	96.9	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.08	17%	0.172	C	C	.	.	S	Bend	trans	-85.6	63	168.2	-68.2	-26.1	0	0	0	109.8	D156 L160 P161 D166 F167 Y198	D156-N164 PolarHBondContact O-ND2 2.64Å; L160-N164 PolarHBondContact O-N 2.78Å; P161-N164 CarbonylContact O-C 3.55Å; P161-N164 VanDerWaalsContact O-C 3.27Å; P161-N164 PolarHBondContact O-N 2.78Å; P161-N164 VanDerWaalsContact O-O 3.11Å; N164-D166 PolarHBondContact O-N 3.21Å; N164-F167 HydrophobicContact CB-CB 3.92Å; N164-F167 WeakPolarHBondContact O-CB 3.34Å; N164-F167 PolarHBondContact O-N 2.87Å; N164-Y198 PolarHBondContact ND2-OH 2.86Å
165	T	92.5	Very high	96.9	Very high	111 Å²	111	32.4 Å²	32.4	68%	0.681	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.1	-167.9	53.7	0	0	0	0	114.3	Y162 E163	Y162-T165 WeakPolarHBondContact O-CG2 3.3Å; E163-T165 PolarHBondContact O-N 3.43Å
166	D	94.9	Very high	97	Very high	76 Å²	76	34.3 Å²	34.3	41%	0.406	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.1	177.8	70.7	-30.9	0	0	0	113.8	N164 M168 D169 K170	N164-D166 PolarHBondContact O-N 3.21Å; D166-M168 PolarHBondContact O-N 2.66Å; D166-D169 PolarHBondContact O-N 2.79Å; D166-K170 HydrophobicContact CB-CD 3.77Å; D166-K170 HydrophobicContact CB-CG 4.47Å; D166-K170 VanDerWaalsContact O-CB 3.27Å; D166-K170 WeakPolarHBondContact O-CB 3.28Å; D166-K170 WeakPolarHBondContact O-CD 3.47Å; D166-K170 VanDerWaalsContact O-CG 3.25Å; D166-K170 WeakPolarHBondContact O-CG 3.38Å; D166-K170 PolarHBondContact O-N 3.28Å; D166-K170 WeakPolarHBondContact OD2-CD 3.41Å; D166-K170 IonicContact OD2-NZ 3.1Å; D166-K170 PolarHBondContact OD2-NZ 2.86Å
167	F	97.1	Very high	97	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-45.2	-170.9	179.7	-89.2	0	0	0	112.5	I48 W111 Y155 N164 K170 L171 Y198	I48-F167 HydrophobicContact CG2-CZ 4.28Å; W111-F167 HydrophobicContact CH2-CD2 4.02Å; W111-F167 HydrophobicContact CH2-CE2 4.03Å; W111-F167 AromaticContact CZ3-CD2 3.9Å; W111-F167 HydrophobicContact CZ3-CD2 3.9Å; W111-F167 AromaticContact CZ3-CE2 3.98Å; W111-F167 HydrophobicContact CZ3-CE2 3.98Å; Y155-F167 HydrophobicContact CD1-CD2 4.42Å; Y155-F167 AromaticContact CD1-CE2 3.71Å; Y155-F167 HydrophobicContact CD1-CE2 3.71Å; Y155-F167 HydrophobicContact CD1-CZ 4.38Å; Y155-F167 HydrophobicContact CG-CD2 4.1Å; Y155-F167 AromaticContact CG-CE2 3.84Å; Y155-F167 HydrophobicContact CG-CE2 3.84Å; N164-F167 HydrophobicContact CB-CB 3.92Å; N164-F167 WeakPolarHBondContact O-CB 3.34Å; N164-F167 PolarHBondContact O-N 2.87Å; F167-K170 PolarHBondContact O-N 3.08Å; F167-L171 HydrophobicContact CE1-CB 4.27Å; F167-L171 HydrophobicContact CE1-CD2 3.66Å; F167-L171 HydrophobicContact CZ-CD2 3.97Å; F167-L171 VanDerWaalsContact O-CB 3.22Å; F167-L171 WeakPolarHBondContact O-CB 3.49Å; F167-L171 PolarHBondContact O-N 2.84Å; F167-Y198 AromaticContact CD1-CD1 3.79Å; F167-Y198 HydrophobicContact CD1-CD1 3.79Å; F167-Y198 HydrophobicContact CD1-CE1 4.19Å; F167-Y198 AromaticContact CE1-CD1 3.52Å; F167-Y198 HydrophobicContact CE1-CD1 3.52Å; F167-Y198 HydrophobicContact CE1-CE1 4.33Å; F167-Y198 HydrophobicContact CE1-CG 4.44Å; F167-Y198 HydrophobicContact CE2-CD1 4.26Å; F167-Y198 HydrophobicContact CG-CD1 4.29Å; F167-Y198 HydrophobicContact CG-CE1 4.31Å; F167-Y198 AromaticContact CZ-CD1 3.76Å; F167-Y198 HydrophobicContact CZ-CD1 3.76Å
168	M	95.6	Very high	97.1	Very high	26 Å²	26	37.4 Å²	37.4	13%	0.128	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-45.3	-175.7	-67.6	-68.1	168.3	0	0	111.5	P161 D166 L171 K172 N201 F202	P161-M168 HydrophobicContact CB-CE 3.48Å; P161-M168 VanDerWaalsContact CB-CE 3.48Å; P161-M168 HydrophobicContact CG-CE 3.98Å; D166-M168 PolarHBondContact O-N 2.66Å; M168-L171 PolarHBondContact O-N 2.96Å; M168-K172 WeakPolarHBondContact O-CB 3.46Å; M168-K172 PolarHBondContact O-N 3.12Å; M168-N201 HydrophobicContact CE-CB 4.24Å; M168-N201 VanDerWaalsContact CE-OD1 3.26Å; M168-N201 WeakPolarHBondContact CE-OD1 3.4Å; M168-F202 HydrophobicContact CE-CB 4.21Å; M168-F202 WeakPolarHBondContact O-CE2 3.45Å; M168-F202 VanDerWaalsContact SD-CA 3.59Å; M168-F202 HydrophobicContact SD-CB 3.6Å; M168-F202 HydrophobicContact SD-CD2 3.72Å; M168-F202 HydrophobicContact SD-CG 4.16Å
169	D	97.6	Very high	97.1	Very high	115 Å²	115	38.9 Å²	38.9	62%	0.615	20%	0.2	S	C	*	.	H	α-helix	trans	-71	-38.6	179.2	-69.4	-25.3	0	0	0	112	D166 K172 S173	D166-D169 PolarHBondContact O-N 2.79Å; D169-K172 PolarHBondContact O-N 2.54Å; D169-S173 WeakPolarHBondContact O-CB 3.45Å; D169-S173 PolarHBondContact O-N 2.81Å; D169-S173 PolarHBondContact O-OG 2.9Å
170	K	98.1	Very high	97.1	Very high	74 Å²	74	44.3 Å²	44.3	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-67.6	-40	175.5	-73.8	168.8	63.5	176.9	0	111.6	W111 D166 F167 S173 L174	W111-K170 HydrophobicContact CH2-CB 3.89Å; W111-K170 HydrophobicContact CZ2-CB 3.38Å; W111-K170 WeakPolarHBondContact CZ2-O 3.33Å; D166-K170 HydrophobicContact CB-CD 3.77Å; D166-K170 HydrophobicContact CB-CG 4.47Å; D166-K170 VanDerWaalsContact O-CB 3.27Å; D166-K170 WeakPolarHBondContact O-CB 3.28Å; D166-K170 WeakPolarHBondContact O-CD 3.47Å; D166-K170 VanDerWaalsContact O-CG 3.25Å; D166-K170 WeakPolarHBondContact O-CG 3.38Å; D166-K170 PolarHBondContact O-N 3.28Å; D166-K170 WeakPolarHBondContact OD2-CD 3.41Å; D166-K170 IonicContact OD2-NZ 3.1Å; D166-K170 PolarHBondContact OD2-NZ 2.86Å; F167-K170 PolarHBondContact O-N 3.08Å; K170-S173 PolarHBondContact O-N 2.91Å; K170-L174 VanDerWaalsContact O-CB 3.29Å; K170-L174 WeakPolarHBondContact O-CB 3.48Å; K170-L174 PolarHBondContact O-N 2.84Å
171	L	98.8	Very high	97.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-41.4	177.1	-179	58.3	0	0	0	110.8	I46 W111 A153 F167 M168 L174 V175 F202	I46-L171 HydrophobicContact CG2-CD1 4.29Å; W111-L171 HydrophobicContact CH2-CB 4.4Å; A153-L171 HydrophobicContact CB-CD1 4.22Å; F167-L171 HydrophobicContact CE1-CB 4.27Å; F167-L171 HydrophobicContact CE1-CD2 3.66Å; F167-L171 HydrophobicContact CZ-CD2 3.97Å; F167-L171 VanDerWaalsContact O-CB 3.22Å; F167-L171 WeakPolarHBondContact O-CB 3.49Å; F167-L171 PolarHBondContact O-N 2.84Å; M168-L171 PolarHBondContact O-N 2.96Å; L171-L174 HydrophobicContact CD1-CD2 4.46Å; L171-L174 PolarHBondContact O-N 3.36Å; L171-V175 WeakPolarHBondContact O-CG2 3.36Å; L171-V175 PolarHBondContact O-N 3.23Å; L171-F202 HydrophobicContact CB-CD2 4.42Å; L171-F202 HydrophobicContact CB-CE2 4.28Å; L171-F202 HydrophobicContact CD2-CB 4.05Å; L171-F202 HydrophobicContact CD2-CD1 3.65Å; L171-F202 HydrophobicContact CD2-CD2 4Å; L171-F202 HydrophobicContact CD2-CE1 4.07Å; L171-F202 HydrophobicContact CD2-CE2 4.39Å; L171-F202 HydrophobicContact CD2-CG 3.61Å; L171-F202 HydrophobicContact CD2-CZ 4.43Å; L171-F202 HydrophobicContact CG-CD1 4.19Å; L171-F202 HydrophobicContact CG-CD2 4.34Å; L171-F202 HydrophobicContact CG-CE1 4.1Å; L171-F202 HydrophobicContact CG-CE2 4.25Å; L171-F202 HydrophobicContact CG-CG 4.31Å; L171-F202 HydrophobicContact CG-CZ 4.13Å
172	K	98.7	Very high	97.1	Very high	66 Å²	66	45.1 Å²	45.1	29%	0.287	23%	0.227	S	C	.	.	H	α-helix	trans	-57.3	-50	172.3	-171	172.5	-175.6	165.4	0	112	M168 D169 L174 V175 E176 F202 W210	M168-K172 WeakPolarHBondContact O-CB 3.46Å; M168-K172 PolarHBondContact O-N 3.12Å; D169-K172 PolarHBondContact O-N 2.54Å; K172-L174 VanDerWaalsContact C-N 3.31Å; K172-L174 PolarHBondContact O-N 2.87Å; K172-V175 WeakPolarHBondContact O-CB 3.35Å; K172-V175 PolarHBondContact O-N 3.19Å; K172-E176 WeakPolarHBondContact O-CG 3.5Å; K172-E176 PolarHBondContact O-N 2.96Å; K172-F202 HydrophobicContact CB-CE2 3.95Å; K172-F202 HydrophobicContact CB-CZ 4.11Å; K172-W210 HydrophobicContact CG-CZ2 3.74Å
173	S	98.7	Very high	97.2	Very high	72 Å²	72	47.7 Å²	47.7	50%	0.503	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-41	178.2	-56.9	0	0	0	0	111.8	D169 K170 V175 E176 E177	D169-S173 WeakPolarHBondContact O-CB 3.45Å; D169-S173 PolarHBondContact O-N 2.81Å; D169-S173 PolarHBondContact O-OG 2.9Å; K170-S173 PolarHBondContact O-N 2.91Å; S173-V175 PolarHBondContact O-N 3.24Å; S173-E176 PolarHBondContact O-N 3.47Å; S173-E177 WeakPolarHBondContact O-CB 3.33Å; S173-E177 PolarHBondContact O-N 2.92Å
174	L	98.9	Very high	97.2	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-41.7	177.2	-176.5	65.5	0	0	0	111.7	I46 W111 R151 A153 K170 L171 K172 T178	I46-L174 HydrophobicContact CD1-CD2 4.22Å; I46-L174 HydrophobicContact CD1-CG 3.93Å; I46-L174 HydrophobicContact CG2-CD2 3.9Å; W111-L174 HydrophobicContact CZ2-CB 4.3Å; W111-L174 HydrophobicContact CZ2-CD2 4.07Å; R151-L174 HydrophobicContact CB-CD1 4.45Å; R151-L174 HydrophobicContact CG-CD1 4.44Å; A153-L174 HydrophobicContact CB-CD2 4.08Å; K170-L174 VanDerWaalsContact O-CB 3.29Å; K170-L174 WeakPolarHBondContact O-CB 3.48Å; K170-L174 PolarHBondContact O-N 2.84Å; L171-L174 HydrophobicContact CD1-CD2 4.46Å; L171-L174 PolarHBondContact O-N 3.36Å; K172-L174 VanDerWaalsContact C-N 3.31Å; K172-L174 PolarHBondContact O-N 2.87Å; L174-T178 WeakPolarHBondContact O-CB 3.42Å; L174-T178 PolarHBondContact O-N 2.94Å; L174-T178 PolarHBondContact O-OG1 2.96Å
175	V	98.9	Very high	97.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-48.3	174.2	168.8	0	0	0	0	111.1	I46 L171 K172 S173 E177 T178 Y179 V187 L189 W210 Y214 I215	I46-V175 HydrophobicContact CD1-CB 4.28Å; I46-V175 HydrophobicContact CD1-CG2 3.58Å; L171-V175 WeakPolarHBondContact O-CG2 3.36Å; L171-V175 PolarHBondContact O-N 3.23Å; K172-V175 WeakPolarHBondContact O-CB 3.35Å; K172-V175 PolarHBondContact O-N 3.19Å; S173-V175 PolarHBondContact O-N 3.24Å; V175-E177 PolarHBondContact O-N 3.38Å; V175-T178 PolarHBondContact O-N 3.25Å; V175-Y179 VanDerWaalsContact O-CB 3.32Å; V175-Y179 WeakPolarHBondContact O-CB 3.24Å; V175-Y179 PolarHBondContact O-N 3.27Å; V175-V187 HydrophobicContact CG1-CB 4.38Å; V175-V187 HydrophobicContact CG1-CG2 4.1Å; V175-L189 HydrophobicContact CG2-CD2 3.88Å; V175-W210 HydrophobicContact CB-CH2 3.92Å; V175-W210 HydrophobicContact CB-CZ2 3.92Å; V175-W210 HydrophobicContact CG1-CH2 3.56Å; V175-W210 HydrophobicContact CG1-CZ2 3.64Å; V175-W210 HydrophobicContact CG2-CH2 4.13Å; V175-Y214 HydrophobicContact CG1-CG 4.41Å; V175-I215 HydrophobicContact CG1-CD1 3.91Å; V175-I215 HydrophobicContact CG2-CD1 4.45Å
176	E	98.8	Very high	97.4	Very high	50 Å²	50	54.3 Å²	54.3	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-38.2	-178	-67.8	178.4	179.4	0	0	112.6	K172 S173 K180 W210 Y214	K172-E176 WeakPolarHBondContact O-CG 3.5Å; K172-E176 PolarHBondContact O-N 2.96Å; S173-E176 PolarHBondContact O-N 3.47Å; E176-K180 WeakPolarHBondContact O-CG 3.47Å; E176-K180 PolarHBondContact O-N 3Å; E176-W210 HydrophobicContact CG-CZ2 4.44Å; E176-W210 PolarHBondContact OE1-NE1 3.26Å; E176-Y214 HydrophobicContact CB-CE1 4.31Å; E176-Y214 HydrophobicContact CG-CD1 4.24Å; E176-Y214 HydrophobicContact CG-CD2 4.42Å; E176-Y214 HydrophobicContact CG-CE1 3.9Å; E176-Y214 HydrophobicContact CG-CE2 4.05Å; E176-Y214 HydrophobicContact CG-CG 4.49Å
177	E	98.7	Very high	97.6	Very high	82 Å²	82	50.7 Å²	50.7	38%	0.383	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-48.2	173.2	-167.5	-150.4	129.8	0	0	110.9	R151 S173 V175 Y179 K180 N181	R151-E177 IonicContact CZ-OE1 2.68Å; R151-E177 IonicContact CZ-OE2 3.85Å; R151-E177 VanDerWaalsContact NH1-CD 3.32Å; R151-E177 IonicContact NH1-OE1 3.87Å; R151-E177 PolarHBondContact NH1-OE1 2.98Å; R151-E177 IonicContact NH1-OE2 3.95Å; R151-E177 IonicContact NH2-OE1 3.63Å; R151-E177 PolarHBondContact NH2-OE1 2.78Å; R151-E177 VanDerWaalsContact NH2-OE1 3.08Å; R151-E177 IonicContact NH2-OE2 3.64Å; R151-E177 PolarHBondContact NH2-OE2 2.77Å; R151-E177 VanDerWaalsContact NH2-OE2 3.11Å; S173-E177 WeakPolarHBondContact O-CB 3.33Å; S173-E177 PolarHBondContact O-N 2.92Å; V175-E177 PolarHBondContact O-N 3.38Å; E177-Y179 VanDerWaalsContact C-N 3.31Å; E177-Y179 PolarHBondContact O-N 2.86Å; E177-K180 WeakPolarHBondContact O-CB 3.2Å; E177-K180 PolarHBondContact O-N 2.62Å; E177-N181 PolarHBondContact O-N 3.05Å; E177-N181 PolarHBondContact O-OD1 3.02Å; E177-N181 PolarHBondContact OE1-ND2 3.45Å
178	T	98.7	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-38.6	179.9	-58.9	0	0	0	0	112	P44 I46 R151 L174 V175 N181 A182 V187	P44-T178 HydrophobicContact CB-CG2 3.52Å; P44-T178 HydrophobicContact CG-CG2 3.86Å; I46-T178 HydrophobicContact CG1-CG2 4.34Å; R151-T178 HydrophobicContact CG-CG2 4.11Å; R151-T178 WeakPolarHBondContact CG-OG1 3.09Å; R151-T178 PolarHBondContact NH1-OG1 3.49Å; L174-T178 WeakPolarHBondContact O-CB 3.42Å; L174-T178 PolarHBondContact O-N 2.94Å; L174-T178 PolarHBondContact O-OG1 2.96Å; V175-T178 PolarHBondContact O-N 3.25Å; T178-N181 PolarHBondContact O-N 2.97Å; T178-A182 WeakPolarHBondContact O-CB 3.41Å; T178-A182 PolarHBondContact O-N 2.75Å; T178-V187 HydrophobicContact CG2-CG1 4.2Å; T178-V187 HydrophobicContact CG2-CG2 4.15Å
179	Y	98.4	Very high	97.9	Very high	33 Å²	33	49.3 Å²	49.3	13%	0.129	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-45.4	171.8	174.2	-93.7	0	0	0	111.9	V175 E177 A182 R184 R185 K213 Y214	V175-Y179 VanDerWaalsContact O-CB 3.32Å; V175-Y179 WeakPolarHBondContact O-CB 3.24Å; V175-Y179 PolarHBondContact O-N 3.27Å; E177-Y179 VanDerWaalsContact C-N 3.31Å; E177-Y179 PolarHBondContact O-N 2.86Å; Y179-A182 PolarHBondContact O-N 3.25Å; Y179-R184 HydrophobicContact CD1-CB 4.29Å; Y179-R184 HydrophobicContact CD1-CG 4.34Å; Y179-R184 VanDerWaalsContact CE1-CA 3.49Å; Y179-R184 HydrophobicContact CE1-CB 3.52Å; Y179-R184 HydrophobicContact CE1-CG 3.67Å; Y179-R184 HydrophobicContact CE2-CB 4.3Å; Y179-R184 WeakPolarHBondContact CE2-O 3.49Å; Y179-R184 VanDerWaalsContact CZ-CA 3.48Å; Y179-R184 VanDerWaalsContact CZ-O 3.25Å; Y179-R184 WeakPolarHBondContact O-CA 3.11Å; Y179-R184 PolarHBondContact O-N 2.86Å; Y179-R184 PolarHBondContact OH-O 2.94Å; Y179-R185 VanDerWaalsContact CD2-O 3.23Å; Y179-R185 WeakPolarHBondContact CD2-O 3.33Å; Y179-K213 VanDerWaalsContact CE2-O 3.27Å; Y179-K213 WeakPolarHBondContact CE2-O 3.07Å; Y179-Y214 AromaticContact CD1-CD1 3.83Å; Y179-Y214 HydrophobicContact CD1-CD1 3.83Å; Y179-Y214 AromaticContact CD1-CE1 3.66Å; Y179-Y214 HydrophobicContact CD1-CE1 3.66Å; Y179-Y214 AromaticContact CD2-CD1 3.86Å; Y179-Y214 HydrophobicContact CD2-CD1 3.86Å; Y179-Y214 HydrophobicContact CD2-CE1 4.5Å; Y179-Y214 HydrophobicContact CE1-CD1 4.32Å; Y179-Y214 HydrophobicContact CE1-CE1 4.03Å; Y179-Y214 HydrophobicContact CE2-CD1 4.34Å; Y179-Y214 AromaticContact CG-CD1 3.57Å; Y179-Y214 HydrophobicContact CG-CD1 3.57Å; Y179-Y214 AromaticContact CG-CE1 3.92Å; Y179-Y214 HydrophobicContact CG-CE1 3.92Å
180	K	98.1	Very high	97.9	Very high	137 Å²	137	43.8 Å²	43.8	60%	0.596	20%	0.204	S	C	*	.	H	α-helix	trans	-64.6	-48	177.1	-71.2	171.4	-174.1	174.7	0	111.2	E176 E177 A182 N183	E176-K180 WeakPolarHBondContact O-CG 3.47Å; E176-K180 PolarHBondContact O-N 3Å; E177-K180 WeakPolarHBondContact O-CB 3.2Å; E177-K180 PolarHBondContact O-N 2.62Å; K180-A182 PolarHBondContact O-N 2.86Å; K180-N183 PolarHBondContact O-N 3.3Å
181	N	96.8	Very high	97.9	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.128	19%	0.189	C	C	.	.	H	α-helix	trans	-56.7	-33.2	178.1	-66.9	-9.8	0	0	0	112.2	L34 F148 R151 E177 T178 N183	L34-N181 WeakPolarHBondContact CD1-O 3.35Å; F148-N181 HydrophobicContact CD1-CB 4.25Å; F148-N181 HydrophobicContact CD2-CB 3.83Å; F148-N181 WeakPolarHBondContact CD2-ND2 3.22Å; F148-N181 HydrophobicContact CE1-CB 4Å; F148-N181 WeakPolarHBondContact CE1-O 3.49Å; F148-N181 HydrophobicContact CE2-CB 3.56Å; F148-N181 WeakPolarHBondContact CE2-OD1 3.08Å; F148-N181 HydrophobicContact CG-CB 4.16Å; F148-N181 HydrophobicContact CZ-CB 3.65Å; F148-N181 PolarHBondContact O-ND2 2.85Å; R151-N181 PolarHBondContact NH1-ND2 2.93Å; E177-N181 PolarHBondContact O-N 3.05Å; E177-N181 PolarHBondContact O-OD1 3.02Å; E177-N181 PolarHBondContact OE1-ND2 3.45Å; T178-N181 PolarHBondContact O-N 2.97Å; N181-N183 VanDerWaalsContact C-N 3.26Å; N181-N183 PolarHBondContact O-N 3.05Å
182	A	95.4	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	24.3	178.7	0	0	0	0	0	114.2	P44 F143 T149 T178 Y179 K180 R184 R185	P44-A182 HydrophobicContact CB-CB 3.76Å; P44-A182 HydrophobicContact CG-CB 3.41Å; P44-A182 VanDerWaalsContact CG-CB 3.41Å; F143-A182 HydrophobicContact CE2-CB 4.33Å; F143-A182 HydrophobicContact CZ-CB 3.89Å; T149-A182 HydrophobicContact CG2-CB 4.17Å; T178-A182 WeakPolarHBondContact O-CB 3.41Å; T178-A182 PolarHBondContact O-N 2.75Å; Y179-A182 PolarHBondContact O-N 3.25Å; K180-A182 PolarHBondContact O-N 2.86Å; A182-R184 PolarHBondContact O-N 3.26Å; A182-R185 HydrophobicContact CB-CB 4.19Å; A182-R185 WeakPolarHBondContact O-CB 3.45Å; A182-R185 WeakPolarHBondContact O-CD 3.33Å; A182-R185 WeakPolarHBondContact O-CG 3.45Å; A182-R185 PolarHBondContact O-N 2.9Å
183	N	94.5	Very high	97.9	Very high	95 Å²	95	37.9 Å²	37.9	51%	0.508	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	47.1	-176.4	-160.2	29.2	0	0	0	113.2	K180 N181 R185	K180-N183 PolarHBondContact O-N 3.3Å; N181-N183 VanDerWaalsContact C-N 3.26Å; N181-N183 PolarHBondContact O-N 3.05Å; N183-R185 PolarHBondContact O-N 2.69Å
184	R	96.1	Very high	97.8	Very high	185 Å²	185	34.5 Å²	34.5	70%	0.698	16%	0.157	S	C	*	.	S	Bend	trans	63.6	34.4	178.1	-58.3	-179.7	179.5	160.3	0.9	114.2	Y179 A182	Y179-R184 HydrophobicContact CD1-CB 4.29Å; Y179-R184 HydrophobicContact CD1-CG 4.34Å; Y179-R184 VanDerWaalsContact CE1-CA 3.49Å; Y179-R184 HydrophobicContact CE1-CB 3.52Å; Y179-R184 HydrophobicContact CE1-CG 3.67Å; Y179-R184 HydrophobicContact CE2-CB 4.3Å; Y179-R184 WeakPolarHBondContact CE2-O 3.49Å; Y179-R184 VanDerWaalsContact CZ-CA 3.48Å; Y179-R184 VanDerWaalsContact CZ-O 3.25Å; Y179-R184 WeakPolarHBondContact O-CA 3.11Å; Y179-R184 PolarHBondContact O-N 2.86Å; Y179-R184 PolarHBondContact OH-O 2.94Å; A182-R184 PolarHBondContact O-N 3.26Å
185	R	95.5	Very high	97.8	Very high	57 Å²	57	34.4 Å²	34.4	22%	0.215	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-91.8	132	173.6	-66.3	177.9	-170.1	173.8	1.4	110.5	S42 Y179 A182 N183	S42-R185 WeakPolarHBondContact O-CD 3.37Å; S42-R185 PolarHBondContact O-NH1 3.49Å; Y179-R185 VanDerWaalsContact CD2-O 3.23Å; Y179-R185 WeakPolarHBondContact CD2-O 3.33Å; A182-R185 HydrophobicContact CB-CB 4.19Å; A182-R185 WeakPolarHBondContact O-CB 3.45Å; A182-R185 WeakPolarHBondContact O-CD 3.33Å; A182-R185 WeakPolarHBondContact O-CG 3.45Å; A182-R185 PolarHBondContact O-N 2.9Å; N183-R185 PolarHBondContact O-N 2.69Å
186	P	97.9	Very high	97.8	Very high	43 Å²	43	34.4 Å²	34.4	28%	0.279	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-57.7	144.3	178.3	-24.5	33.6	0	0	0	112.6	N43 K216	N43-P186 WeakPolarHBondContact CB-O 3.45Å; N43-P186 PolarHBondContact ND2-O 3.35Å; P186-K216 HydrophobicContact CB-CB 3.97Å
187	V	98.7	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139	-169.8	-173.8	0	0	0	0	111.1	P44 I46 V175 T178 L189 Y214 I215 K216	P44-V187 HydrophobicContact CG-CB 4.35Å; P44-V187 HydrophobicContact CG-CG1 4.47Å; P44-V187 HydrophobicContact CG-CG2 3.91Å; I46-V187 HydrophobicContact CD1-CG1 3.82Å; I46-V187 HydrophobicContact CG1-CG1 3.81Å; V175-V187 HydrophobicContact CG1-CB 4.38Å; V175-V187 HydrophobicContact CG1-CG2 4.1Å; T178-V187 HydrophobicContact CG2-CG1 4.2Å; T178-V187 HydrophobicContact CG2-CG2 4.15Å; V187-L189 HydrophobicContact CG1-CD2 4.3Å; V187-Y214 PolarHBondContact N-O 3.24Å; V187-I215 WeakPolarHBondContact O-CA 3.15Å; V187-K216 PolarHBondContact O-N 2.69Å
188	V	98.8	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.6	167.5	175.4	0	0	0	0	109.3	N43 P44 I45 I46 K216 S217 I219 V408	N43-V188 HydrophobicContact CB-CG2 4.26Å; P44-V188 PolarHBondContact O-N 3.47Å; I45-V188 WeakPolarHBondContact CA-O 3.33Å; I45-V188 HydrophobicContact CB-CB 4.26Å; I45-V188 HydrophobicContact CD1-CB 4.49Å; I45-V188 HydrophobicContact CD1-CG1 4.03Å; I45-V188 HydrophobicContact CG1-CB 4.08Å; I45-V188 HydrophobicContact CG1-CG1 4.03Å; I46-V188 PolarHBondContact N-O 3.04Å; V188-K216 HydrophobicContact CG2-CB 4.05Å; V188-K216 HydrophobicContact CG2-CD 3.89Å; V188-K216 HydrophobicContact CG2-CG 4.14Å; V188-S217 WeakPolarHBondContact CG1-OG 3.43Å; V188-S217 WeakPolarHBondContact CG2-OG 3.42Å; V188-I219 HydrophobicContact CG1-CD1 3.62Å; V188-I219 HydrophobicContact CG1-CG1 4.11Å; V188-V408 HydrophobicContact CB-CG1 4.37Å; V188-V408 HydrophobicContact CG1-CG1 4.45Å; V188-V408 HydrophobicContact CG2-CG1 4.07Å
189	L	98.9	Very high	97.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.7	170.8	-62.9	-175.1	0	0	0	109.4	I46 I48 V175 V187 T199 F202 L203 I215 S217 Y218 I219	I46-L189 HydrophobicContact CB-CD2 3.8Å; I46-L189 HydrophobicContact CD1-CD2 3.95Å; I46-L189 HydrophobicContact CG1-CD2 4.29Å; I46-L189 HydrophobicContact CG2-CD2 4.43Å; I48-L189 HydrophobicContact CD1-CB 4.37Å; I48-L189 HydrophobicContact CD1-CD2 4.42Å; V175-L189 HydrophobicContact CG2-CD2 3.88Å; V187-L189 HydrophobicContact CG1-CD2 4.3Å; L189-T199 HydrophobicContact CB-CG2 3.8Å; L189-T199 HydrophobicContact CD1-CG2 3.91Å; L189-F202 HydrophobicContact CD1-CD1 4.22Å; L189-F202 HydrophobicContact CD1-CE1 4.12Å; L189-L203 HydrophobicContact CD1-CD1 4.42Å; L189-L203 HydrophobicContact CD1-CD2 3.85Å; L189-L203 HydrophobicContact CD1-CG 4.27Å; L189-I215 HydrophobicContact CD1-CD1 3.81Å; L189-I215 HydrophobicContact CG-CD1 4.04Å; L189-S217 PolarHBondContact N-O 2.99Å; L189-Y218 WeakPolarHBondContact O-CA 3.21Å; L189-I219 PolarHBondContact O-N 3.14Å
190	L	98.9	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	106.5	178.1	-172.3	163.6	0	0	0	108.8	I45 I46 L47 I48 F131 L134 I219 V221 F400 V404	I45-L190 HydrophobicContact CD1-CB 4.03Å; I45-L190 HydrophobicContact CD1-CD1 3.9Å; I45-L190 HydrophobicContact CG1-CB 4.37Å; I46-L190 PolarHBondContact O-N 3.46Å; L47-L190 WeakPolarHBondContact CA-O 3.39Å; L47-L190 HydrophobicContact CD2-CB 4.1Å; L47-L190 HydrophobicContact CD2-CD1 4.25Å; L47-L190 HydrophobicContact CD2-CD2 4.27Å; L47-L190 HydrophobicContact CD2-CG 4.45Å; I48-L190 WeakPolarHBondContact CD1-O 3.29Å; I48-L190 PolarHBondContact N-O 3.3Å; F131-L190 HydrophobicContact CE1-CD2 3.82Å; F131-L190 HydrophobicContact CZ-CD2 4.27Å; L134-L190 HydrophobicContact CD2-CD1 3.94Å; L190-I219 WeakPolarHBondContact CA-O 3.49Å; L190-I219 HydrophobicContact CB-CB 4.32Å; L190-I219 HydrophobicContact CD1-CD1 4.37Å; L190-I219 HydrophobicContact CD1-CG2 4.48Å; L190-I219 HydrophobicContact CG-CB 4.12Å; L190-I219 HydrophobicContact CG-CG2 4.23Å; L190-V221 HydrophobicContact CD2-CG2 3.92Å; L190-V221 HydrophobicContact CG-CG2 4.12Å; L190-F400 HydrophobicContact CD1-CZ 3.94Å; L190-V404 HydrophobicContact CD1-CG1 4.25Å; L190-V404 HydrophobicContact CD1-CG2 3.97Å
191	G	98.7	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.4	174.5	0	0	0	0	0	110.1	I48 S196 I219 V221	I48-G191 WeakPolarHBondContact O-CA 3.48Å; G191-S196 PolarHBondContact O-OG 2.83Å; G191-I219 PolarHBondContact N-O 3.34Å; G191-V221 PolarHBondContact O-N 2.7Å
192	H	98.7	Very high	97.5	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.6	171.6	169.4	-85.6	0	0	0	111.3	I48 G50 Y130 F131 M194 G195 V221 H391 L395	I48-H192 PolarHBondContact O-N 3.42Å; G50-H192 WeakPolarHBondContact CA-O 3.26Å; G50-H192 PolarHBondContact N-O 3.3Å; Y130-H192 AromaticContact CE2-CE1 3.88Å; Y130-H192 AromaticContact CE2-ND1 3.85Å; Y130-H192 AromaticContact CZ-ND1 3.58Å; Y130-H192 PolarHBondContact OH-CE1 2.82Å; Y130-H192 PolarHBondContact OH-ND1 3.49Å; F131-H192 HydrophobicContact CE1-CB 4.46Å; F131-H192 HydrophobicContact CZ-CB 3.89Å; H192-M194 PolarHBondContact O-N 2.93Å; H192-G195 WeakPolarHBondContact O-CA 3.35Å; H192-G195 PolarHBondContact O-N 2.84Å; H192-V221 CarbonylContact C-O 3.45Å; H192-V221 WeakPolarHBondContact CA-O 3.22Å; H192-V221 HydrophobicContact CB-CB 4.48Å; H192-H391 AromaticContact CE1-NE2 3.88Å; H192-H391 PolarHBondContact NE2-O 2.61Å; H192-L395 HydrophobicContact CB-CD1 4.38Å; H192-L395 HydrophobicContact CB-CD2 4.22Å
193	S	98.1	Very high	97.6	Very high	13 Å²	13	19.9 Å²	19.9	9%	0.091	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-123.9	177.7	-175.3	0	0	0	0	110.5	G195 S196 V221 S222 H391	S193-G195 PolarHBondContact O-N 3.35Å; S193-G195 VanDerWaalsContact O-N 3.17Å; S193-S196 VanDerWaalsContact O-CB 3.23Å; S193-S196 WeakPolarHBondContact O-CB 3.35Å; S193-S196 PolarHBondContact O-N 2.88Å; S193-S196 PolarHBondContact O-OG 2.8Å; S193-V221 PolarHBondContact N-O 3.42Å; S193-S222 WeakPolarHBondContact CA-O 3.36Å; S193-H391 WeakPolarHBondContact CB-NE2 3Å; S193-H391 PolarHBondContact OG-CE1 3.19Å; S193-H391 PolarHBondContact OG-NE2 3.06Å
194	M	97.2	Very high	97.6	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-58.5	-27.3	175.8	-168.7	169.5	70.1	0	0	113.9	L51 Y155 F157 H192 S196 L197 Y198 S260 T264	L51-M194 HydrophobicContact CB-CB 4.48Å; L51-M194 HydrophobicContact CB-CE 4Å; L51-M194 HydrophobicContact CD1-CE 4.11Å; L51-M194 HydrophobicContact CD1-SD 4.3Å; L51-M194 HydrophobicContact CG-CE 4.45Å; Y155-M194 HydrophobicContact CE2-CE 4.06Å; F157-M194 HydrophobicContact CB-CE 4.23Å; F157-M194 VanDerWaalsContact O-CE 3.24Å; F157-M194 WeakPolarHBondContact O-CE 3.27Å; H192-M194 PolarHBondContact O-N 2.93Å; M194-S196 PolarHBondContact O-N 2.97Å; M194-L197 WeakPolarHBondContact O-CB 3.19Å; M194-L197 PolarHBondContact O-N 3.05Å; M194-Y198 HydrophobicContact CE-CE2 4.25Å; M194-Y198 HydrophobicContact CG-CD2 4Å; M194-Y198 HydrophobicContact CG-CE2 4.09Å; M194-Y198 WeakPolarHBondContact O-CD2 3.31Å; M194-Y198 PolarHBondContact O-N 3.15Å; M194-Y198 HydrophobicContact SD-CE2 4.3Å; M194-S260 VanDerWaalsContact SD-CB 3.52Å; M194-T264 HydrophobicContact SD-CG2 4.43Å
195	G	98.2	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-29.6	174.3	0	0	0	0	0	112.7	P49 H192 S193 T199	P49-G195 WeakPolarHBondContact O-CA 3.39Å; P49-G195 PolarHBondContact O-N 2.77Å; H192-G195 WeakPolarHBondContact O-CA 3.35Å; H192-G195 PolarHBondContact O-N 2.84Å; S193-G195 PolarHBondContact O-N 3.35Å; S193-G195 VanDerWaalsContact O-N 3.17Å; G195-T199 WeakPolarHBondContact O-CB 3.39Å; G195-T199 PolarHBondContact O-N 3.03Å; G195-T199 PolarHBondContact O-OG1 2.98Å
196	S	98.4	Very high	97.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.9	-44.7	170	-52.3	0	0	0	0	111.3	G191 S193 M194 Y198 T199 L200 Y218 S220 V221 A223	G191-S196 PolarHBondContact O-OG 2.83Å; S193-S196 VanDerWaalsContact O-CB 3.23Å; S193-S196 WeakPolarHBondContact O-CB 3.35Å; S193-S196 PolarHBondContact O-N 2.88Å; S193-S196 PolarHBondContact O-OG 2.8Å; M194-S196 PolarHBondContact O-N 2.97Å; S196-Y198 VanDerWaalsContact C-N 3.35Å; S196-Y198 PolarHBondContact O-N 3.12Å; S196-T199 PolarHBondContact O-N 2.94Å; S196-T199 VanDerWaalsContact O-N 3.17Å; S196-L200 WeakPolarHBondContact O-CB 3.46Å; S196-L200 PolarHBondContact O-N 3.23Å; S196-Y218 WeakPolarHBondContact CB-OH 3.42Å; S196-Y218 PolarHBondContact O-OH 3.41Å; S196-S220 WeakPolarHBondContact CB-OG 3.41Å; S196-S220 PolarHBondContact OG-OG 2.78Å; S196-V221 PolarHBondContact OG-N 3.23Å; S196-V221 PolarHBondContact OG-O 3.35Å; S196-A223 VanDerWaalsContact CB-CB 3.47Å
197	L	97.5	Very high	97.6	Very high	9 Å²	9	15.6 Å²	15.6	5%	0.047	8%	0.081	C	C	.	.	H	α-helix	trans	-64.4	-40.7	179.1	-56.3	-176.8	0	0	0	111.6	M194 L200 N201 A223 P224 F225 F313 M314	M194-L197 WeakPolarHBondContact O-CB 3.19Å; M194-L197 PolarHBondContact O-N 3.05Å; L197-L200 PolarHBondContact O-N 2.95Å; L197-N201 WeakPolarHBondContact O-CB 3.36Å; L197-N201 PolarHBondContact O-N 2.95Å; L197-A223 HydrophobicContact CD2-CB 4.44Å; L197-P224 HydrophobicContact CD1-CG 4.06Å; L197-F225 HydrophobicContact CD2-CD1 3.52Å; L197-F225 HydrophobicContact CD2-CE1 3.82Å; L197-F225 HydrophobicContact CD2-CG 4.28Å; L197-F313 HydrophobicContact CB-CE1 4.28Å; L197-F313 HydrophobicContact CB-CE2 4.25Å; L197-F313 HydrophobicContact CB-CZ 3.57Å; L197-M314 HydrophobicContact CD1-CE 4.08Å; L197-M314 HydrophobicContact CD1-SD 4.19Å
198	Y	97.5	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.5	-47.7	170.7	-94.8	-111.1	0	0	0	111.9	Y155 K159 L160 P161 N164 F167 M194 S196 N201 F202 F313	Y155-Y198 HydrophobicContact CD2-CD1 4.43Å; Y155-Y198 AromaticContact CD2-CE1 3.8Å; Y155-Y198 HydrophobicContact CD2-CE1 3.8Å; Y155-Y198 AromaticContact CD2-CZ 3.89Å; Y155-Y198 HydrophobicContact CE2-CD1 4.11Å; Y155-Y198 HydrophobicContact CE2-CD2 4.15Å; Y155-Y198 AromaticContact CE2-CE1 3.65Å; Y155-Y198 HydrophobicContact CE2-CE1 3.65Å; Y155-Y198 AromaticContact CE2-CE2 3.69Å; Y155-Y198 HydrophobicContact CE2-CE2 3.69Å; Y155-Y198 HydrophobicContact CE2-CG 4.33Å; Y155-Y198 AromaticContact CE2-CZ 3.42Å; Y155-Y198 VanDerWaalsContact CE2-CZ 3.42Å; Y155-Y198 HydrophobicContact CG-CE1 4.45Å; K159-Y198 PolarHBondContact O-OH 3.48Å; L160-Y198 WeakPolarHBondContact CA-OH 3.3Å; P161-Y198 HydrophobicContact CB-CE1 4.09Å; P161-Y198 VanDerWaalsContact CD-CZ 3.47Å; P161-Y198 WeakPolarHBondContact CD-OH 3.14Å; P161-Y198 HydrophobicContact CG-CD1 3.83Å; P161-Y198 HydrophobicContact CG-CD2 4.15Å; P161-Y198 HydrophobicContact CG-CE1 3.55Å; P161-Y198 HydrophobicContact CG-CE2 3.88Å; P161-Y198 HydrophobicContact CG-CG 4.13Å; N164-Y198 PolarHBondContact ND2-OH 2.86Å; F167-Y198 AromaticContact CD1-CD1 3.79Å; F167-Y198 HydrophobicContact CD1-CD1 3.79Å; F167-Y198 HydrophobicContact CD1-CE1 4.19Å; F167-Y198 AromaticContact CE1-CD1 3.52Å; F167-Y198 HydrophobicContact CE1-CD1 3.52Å; F167-Y198 HydrophobicContact CE1-CE1 4.33Å; F167-Y198 HydrophobicContact CE1-CG 4.44Å; F167-Y198 HydrophobicContact CE2-CD1 4.26Å; F167-Y198 HydrophobicContact CG-CD1 4.29Å; F167-Y198 HydrophobicContact CG-CE1 4.31Å; F167-Y198 AromaticContact CZ-CD1 3.76Å; F167-Y198 HydrophobicContact CZ-CD1 3.76Å; M194-Y198 HydrophobicContact CE-CE2 4.25Å; M194-Y198 HydrophobicContact CG-CD2 4Å; M194-Y198 HydrophobicContact CG-CE2 4.09Å; M194-Y198 WeakPolarHBondContact O-CD2 3.31Å; M194-Y198 PolarHBondContact O-N 3.15Å; M194-Y198 HydrophobicContact SD-CE2 4.3Å; S196-Y198 VanDerWaalsContact C-N 3.35Å; S196-Y198 PolarHBondContact O-N 3.12Å; Y198-N201 PolarHBondContact O-N 3.39Å; Y198-F202 WeakPolarHBondContact O-CB 3.3Å; Y198-F202 PolarHBondContact O-N 3.01Å; Y198-F313 AromaticContact CD2-CE2 3.97Å; Y198-F313 HydrophobicContact CD2-CE2 3.97Å; Y198-F313 AromaticContact CD2-CZ 3.69Å; Y198-F313 HydrophobicContact CD2-CZ 3.69Å; Y198-F313 HydrophobicContact CE2-CE2 4.29Å; Y198-F313 AromaticContact CE2-CZ 3.93Å; Y198-F313 HydrophobicContact CE2-CZ 3.93Å
199	T	98.1	Very high	97.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-42.8	179.8	-56.6	0	0	0	0	111.3	L189 G195 S196 F202 L203 Y218	L189-T199 HydrophobicContact CB-CG2 3.8Å; L189-T199 HydrophobicContact CD1-CG2 3.91Å; G195-T199 WeakPolarHBondContact O-CB 3.39Å; G195-T199 PolarHBondContact O-N 3.03Å; G195-T199 PolarHBondContact O-OG1 2.98Å; S196-T199 PolarHBondContact O-N 2.94Å; S196-T199 VanDerWaalsContact O-N 3.17Å; T199-F202 WeakPolarHBondContact O-CB 3.41Å; T199-F202 PolarHBondContact O-N 3.41Å; T199-L203 HydrophobicContact CG2-CD1 3.98Å; T199-L203 HydrophobicContact CG2-CG 4.36Å; T199-L203 WeakPolarHBondContact O-CB 2.96Å; T199-L203 VanDerWaalsContact O-CG 3.27Å; T199-L203 WeakPolarHBondContact O-CG 3.36Å; T199-L203 PolarHBondContact O-N 3.3Å; T199-Y218 HydrophobicContact CG2-CD2 3.47Å; T199-Y218 VanDerWaalsContact CG2-CD2 3.47Å; T199-Y218 HydrophobicContact CG2-CE2 3.52Å; T199-Y218 HydrophobicContact CG2-CG 4.42Å
200	L	97.4	Very high	97.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-48.1	176.4	179.5	60.3	0	0	0	111.6	S196 L197 F202 L203 N204 Y218 F225 T315 P319 W378	S196-L200 WeakPolarHBondContact O-CB 3.46Å; S196-L200 PolarHBondContact O-N 3.23Å; L197-L200 PolarHBondContact O-N 2.95Å; L200-F202 VanDerWaalsContact C-N 3.3Å; L200-F202 PolarHBondContact O-N 3.44Å; L200-L203 PolarHBondContact O-N 2.71Å; L200-N204 WeakPolarHBondContact O-CB 3.46Å; L200-N204 PolarHBondContact O-N 2.93Å; L200-Y218 HydrophobicContact CB-CE1 4.39Å; L200-Y218 HydrophobicContact CD1-CE1 4.35Å; L200-F225 HydrophobicContact CD2-CD1 4.41Å; L200-F225 HydrophobicContact CD2-CE1 3.89Å; L200-T315 HydrophobicContact CD2-CG2 3.96Å; L200-T315 HydrophobicContact CG-CG2 3.91Å; L200-P319 HydrophobicContact CD1-CB 3.66Å; L200-P319 HydrophobicContact CD1-CG 4.06Å; L200-W378 HydrophobicContact CD1-CH2 4.37Å; L200-W378 HydrophobicContact CD2-CH2 3.99Å; L200-W378 HydrophobicContact CD2-CZ2 3.83Å
201	N	95.8	Very high	97.5	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.053	15%	0.147	C	C	.	.	H	α-helix	trans	-59	-43.6	176.8	-171.6	-85.1	0	0	0	111.4	M168 L197 Y198 K205 F313	M168-N201 HydrophobicContact CE-CB 4.24Å; M168-N201 VanDerWaalsContact CE-OD1 3.26Å; M168-N201 WeakPolarHBondContact CE-OD1 3.4Å; L197-N201 WeakPolarHBondContact O-CB 3.36Å; L197-N201 PolarHBondContact O-N 2.95Å; Y198-N201 PolarHBondContact O-N 3.39Å; N201-K205 WeakPolarHBondContact O-CG 3.22Å; N201-K205 PolarHBondContact O-N 2.83Å; N201-K205 VanDerWaalsContact OD1-CE 3.31Å; N201-K205 WeakPolarHBondContact OD1-CE 3.45Å; N201-K205 PolarHBondContact OD1-NZ 2.89Å; N201-F313 HydrophobicContact CB-CD2 4.03Å; N201-F313 HydrophobicContact CB-CE2 4.05Å; N201-F313 PolarHBondContact ND2-O 3.49Å
202	F	96.9	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-51.8	175.9	168.1	-106.9	0	0	0	112.1	M168 L171 K172 L189 Y198 T199 L200 N204 K205 Q206 W210	M168-F202 HydrophobicContact CE-CB 4.21Å; M168-F202 WeakPolarHBondContact O-CE2 3.45Å; M168-F202 VanDerWaalsContact SD-CA 3.59Å; M168-F202 HydrophobicContact SD-CB 3.6Å; M168-F202 HydrophobicContact SD-CD2 3.72Å; M168-F202 HydrophobicContact SD-CG 4.16Å; L171-F202 HydrophobicContact CB-CD2 4.42Å; L171-F202 HydrophobicContact CB-CE2 4.28Å; L171-F202 HydrophobicContact CD2-CB 4.05Å; L171-F202 HydrophobicContact CD2-CD1 3.65Å; L171-F202 HydrophobicContact CD2-CD2 4Å; L171-F202 HydrophobicContact CD2-CE1 4.07Å; L171-F202 HydrophobicContact CD2-CE2 4.39Å; L171-F202 HydrophobicContact CD2-CG 3.61Å; L171-F202 HydrophobicContact CD2-CZ 4.43Å; L171-F202 HydrophobicContact CG-CD1 4.19Å; L171-F202 HydrophobicContact CG-CD2 4.34Å; L171-F202 HydrophobicContact CG-CE1 4.1Å; L171-F202 HydrophobicContact CG-CE2 4.25Å; L171-F202 HydrophobicContact CG-CG 4.31Å; L171-F202 HydrophobicContact CG-CZ 4.13Å; K172-F202 HydrophobicContact CB-CE2 3.95Å; K172-F202 HydrophobicContact CB-CZ 4.11Å; L189-F202 HydrophobicContact CD1-CD1 4.22Å; L189-F202 HydrophobicContact CD1-CE1 4.12Å; Y198-F202 WeakPolarHBondContact O-CB 3.3Å; Y198-F202 PolarHBondContact O-N 3.01Å; T199-F202 WeakPolarHBondContact O-CB 3.41Å; T199-F202 PolarHBondContact O-N 3.41Å; L200-F202 VanDerWaalsContact C-N 3.3Å; L200-F202 PolarHBondContact O-N 3.44Å; F202-N204 PolarHBondContact O-N 2.63Å; F202-K205 PolarHBondContact O-N 3.16Å; F202-K205 VanDerWaalsContact O-N 3.15Å; F202-Q206 HydrophobicContact CD2-CG 4.5Å; F202-Q206 HydrophobicContact CE1-CG 4.18Å; F202-Q206 HydrophobicContact CE2-CG 4.07Å; F202-Q206 HydrophobicContact CZ-CG 3.9Å; F202-Q206 WeakPolarHBondContact O-CG 3.29Å; F202-Q206 PolarHBondContact O-N 3.49Å; F202-Q206 PolarHBondContact O-NE2 2.95Å; F202-Q206 VanDerWaalsContact O-NE2 3.08Å; F202-W210 AromaticContact CE1-CH2 3.78Å; F202-W210 HydrophobicContact CE1-CH2 3.78Å; F202-W210 HydrophobicContact CE1-CZ3 4.06Å; F202-W210 AromaticContact CZ-CH2 3.58Å; F202-W210 HydrophobicContact CZ-CH2 3.58Å; F202-W210 HydrophobicContact CZ-CZ2 4.23Å; F202-W210 HydrophobicContact CZ-CZ3 4.09Å
203	L	97.6	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-39.5	-177.6	-72	175.1	0	0	0	112.3	L189 T199 L200 K205 Q206 I215 Y218 I322	L189-L203 HydrophobicContact CD1-CD1 4.42Å; L189-L203 HydrophobicContact CD1-CD2 3.85Å; L189-L203 HydrophobicContact CD1-CG 4.27Å; T199-L203 HydrophobicContact CG2-CD1 3.98Å; T199-L203 HydrophobicContact CG2-CG 4.36Å; T199-L203 WeakPolarHBondContact O-CB 2.96Å; T199-L203 VanDerWaalsContact O-CG 3.27Å; T199-L203 WeakPolarHBondContact O-CG 3.36Å; T199-L203 PolarHBondContact O-N 3.3Å; L200-L203 PolarHBondContact O-N 2.71Å; L203-K205 PolarHBondContact O-N 2.9Å; L203-Q206 PolarHBondContact O-N 3.13Å; L203-I215 HydrophobicContact CD2-CD1 4.32Å; L203-I215 HydrophobicContact CD2-CG1 4.07Å; L203-Y218 HydrophobicContact CD1-CD1 4.22Å; L203-Y218 HydrophobicContact CD1-CD2 4.2Å; L203-Y218 HydrophobicContact CD1-CG 3.77Å; L203-I322 HydrophobicContact CB-CD1 4.3Å; L203-I322 HydrophobicContact CD1-CD1 3.94Å; L203-I322 HydrophobicContact CD1-CG1 4.2Å; L203-I322 HydrophobicContact CD2-CD1 3.77Å; L203-I322 HydrophobicContact CG-CD1 4.21Å
204	N	95.6	Very high	97.5	Very high	52 Å²	52	39.1 Å²	39.1	28%	0.278	19%	0.191	S	C	.	.	H	α-helix	trans	-66	-20	177.4	-76.6	-9.8	0	0	0	113.1	L200 F202 P319	L200-N204 WeakPolarHBondContact O-CB 3.46Å; L200-N204 PolarHBondContact O-N 2.93Å; F202-N204 PolarHBondContact O-N 2.63Å; N204-P319 WeakPolarHBondContact OD1-CA 3.5Å
205	K	94.6	Very high	97.5	Very high	124 Å²	124	39.1 Å²	39.1	54%	0.539	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.5	174.4	-69	175.6	177.7	170.8	0	113.9	N201 F202 L203	N201-K205 WeakPolarHBondContact O-CG 3.22Å; N201-K205 PolarHBondContact O-N 2.83Å; N201-K205 VanDerWaalsContact OD1-CE 3.31Å; N201-K205 WeakPolarHBondContact OD1-CE 3.45Å; N201-K205 PolarHBondContact OD1-NZ 2.89Å; F202-K205 PolarHBondContact O-N 3.16Å; F202-K205 VanDerWaalsContact O-N 3.15Å; L203-K205 PolarHBondContact O-N 2.9Å
206	Q	97	Very high	97.5	Very high	24 Å²	24	40.2 Å²	40.2	11%	0.112	20%	0.196	C	C	.	.	S	Bend	trans	-92.9	150.2	178.1	-57.5	-40.1	-59.3	0	0	112.6	F202 L203 W210 K211	F202-Q206 HydrophobicContact CD2-CG 4.5Å; F202-Q206 HydrophobicContact CE1-CG 4.18Å; F202-Q206 HydrophobicContact CE2-CG 4.07Å; F202-Q206 HydrophobicContact CZ-CG 3.9Å; F202-Q206 WeakPolarHBondContact O-CG 3.29Å; F202-Q206 PolarHBondContact O-N 3.49Å; F202-Q206 PolarHBondContact O-NE2 2.95Å; F202-Q206 VanDerWaalsContact O-NE2 3.08Å; L203-Q206 PolarHBondContact O-N 3.13Å; Q206-W210 HydrophobicContact CB-CD2 4.33Å; Q206-W210 HydrophobicContact CB-CE3 3.67Å; Q206-W210 HydrophobicContact CB-CZ3 4.16Å; Q206-W210 HydrophobicContact CG-CD2 4.34Å; Q206-W210 HydrophobicContact CG-CE3 3.69Å; Q206-W210 HydrophobicContact CG-CH2 4.42Å; Q206-W210 HydrophobicContact CG-CZ3 3.74Å; Q206-K211 HydrophobicContact CB-CD 4.4Å; Q206-K211 HydrophobicContact CB-CG 3.99Å; Q206-K211 WeakPolarHBondContact O-CE 3.44Å
207	T	97.5	Very high	97.5	Very high	89 Å²	89	40.2 Å²	40.2	55%	0.546	20%	0.196	S	C	.	.			trans	-70.4	151.6	177.5	68.2	0	0	0	0	111.6	L209 W210 K211	T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 2.97Å; T207-W210 PolarHBondContact O-N 2.02Å; T207-W210 VanDerWaalsContact O-N 3.14Å; T207-W210 VanDerWaalsContact OG1-CB 3.32Å; T207-W210 WeakPolarHBondContact OG1-CB 3.21Å; T207-W210 PolarHBondContact OG1-N 3.5Å; T207-K211 WeakPolarHBondContact O-CG 3.46Å; T207-K211 PolarHBondContact O-N 3Å
208	K	97.8	Very high	97.6	Very high	122 Å²	122	39.8 Å²	39.8	53%	0.53	19%	0.193	S	C	.	.	H	α-helix	trans	-52.5	-46.8	174.9	179	173.1	-173.6	173.2	0	112.6	W210 K211 N212 D321	K208-W210 VanDerWaalsContact C-N 3.32Å; K208-W210 PolarHBondContact O-N 3.07Å; K208-K211 PolarHBondContact O-N 2.87Å; K208-N212 WeakPolarHBondContact O-CB 3.48Å; K208-N212 PolarHBondContact O-N 3.34Å; K208-D321 HydrophobicContact CB-CB 4.37Å; K208-D321 HydrophobicContact CD-CB 4.44Å; K208-D321 WeakPolarHBondContact CD-OD1 3.26Å; K208-D321 WeakPolarHBondContact CE-OD1 3.36Å; K208-D321 HydrophobicContact CG-CB 3.92Å; K208-D321 IonicContact NZ-OD1 3.99Å
209	L	98.1	Very high	97.6	Very high	146 Å²	146	39.8 Å²	39.8	76%	0.764	19%	0.193	S	C	*	.	H	α-helix	trans	-61.8	-39.5	179.5	-68.7	175.7	0	0	0	112.3	T207 K213	T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 2.97Å; L209-K213 WeakPolarHBondContact O-CB 3.25Å; L209-K213 PolarHBondContact O-N 3.24Å
210	W	98.5	Very high	97.6	Very high	17 Å²	17	39.9 Å²	39.9	6%	0.064	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-47.1	177.2	-173.8	95.9	0	0	0	111.1	K172 V175 E176 F202 Q206 T207 K208 N212 K213 Y214 I215	K172-W210 HydrophobicContact CG-CZ2 3.74Å; V175-W210 HydrophobicContact CB-CH2 3.92Å; V175-W210 HydrophobicContact CB-CZ2 3.92Å; V175-W210 HydrophobicContact CG1-CH2 3.56Å; V175-W210 HydrophobicContact CG1-CZ2 3.64Å; V175-W210 HydrophobicContact CG2-CH2 4.13Å; E176-W210 HydrophobicContact CG-CZ2 4.44Å; E176-W210 PolarHBondContact OE1-NE1 3.26Å; F202-W210 AromaticContact CE1-CH2 3.78Å; F202-W210 HydrophobicContact CE1-CH2 3.78Å; F202-W210 HydrophobicContact CE1-CZ3 4.06Å; F202-W210 AromaticContact CZ-CH2 3.58Å; F202-W210 HydrophobicContact CZ-CH2 3.58Å; F202-W210 HydrophobicContact CZ-CZ2 4.23Å; F202-W210 HydrophobicContact CZ-CZ3 4.09Å; Q206-W210 HydrophobicContact CB-CD2 4.33Å; Q206-W210 HydrophobicContact CB-CE3 3.67Å; Q206-W210 HydrophobicContact CB-CZ3 4.16Å; Q206-W210 HydrophobicContact CG-CD2 4.34Å; Q206-W210 HydrophobicContact CG-CE3 3.69Å; Q206-W210 HydrophobicContact CG-CH2 4.42Å; Q206-W210 HydrophobicContact CG-CZ3 3.74Å; T207-W210 PolarHBondContact O-N 2.02Å; T207-W210 VanDerWaalsContact O-N 3.14Å; T207-W210 VanDerWaalsContact OG1-CB 3.32Å; T207-W210 WeakPolarHBondContact OG1-CB 3.21Å; T207-W210 PolarHBondContact OG1-N 3.5Å; K208-W210 VanDerWaalsContact C-N 3.32Å; K208-W210 PolarHBondContact O-N 3.07Å; W210-N212 PolarHBondContact O-N 3.06Å; W210-K213 PolarHBondContact O-N 2.98Å; W210-Y214 AromaticContact CD1-CD2 3.42Å; W210-Y214 VanDerWaalsContact CD1-CD2 3.42Å; W210-Y214 AromaticContact CD1-CE2 3.44Å; W210-Y214 VanDerWaalsContact CD1-CE2 3.44Å; W210-Y214 AromaticContact CD2-CD2 3.77Å; W210-Y214 HydrophobicContact CD2-CD2 3.77Å; W210-Y214 AromaticContact CE2-CD2 3.51Å; W210-Y214 AromaticContact CG-CD2 3.71Å; W210-Y214 HydrophobicContact CG-CD2 3.71Å; W210-Y214 HydrophobicContact CG-CE2 4.13Å; W210-Y214 HydrophobicContact CZ2-CD2 4.19Å; W210-Y214 HydrophobicContact CZ2-CG 4.4Å; W210-Y214 AromaticContact NE1-CD2 3.28Å; W210-Y214 VanDerWaalsContact NE1-CD2 3.28Å; W210-Y214 AromaticContact NE1-CE2 3.43Å; W210-Y214 WeakPolarHBondContact O-CD2 3.44Å; W210-Y214 PolarHBondContact O-N 3.46Å; W210-I215 HydrophobicContact CE3-CG1 4.36Å; W210-I215 HydrophobicContact CH2-CD1 3.89Å; W210-I215 HydrophobicContact CH2-CG1 4.28Å; W210-I215 HydrophobicContact CZ3-CD1 3.76Å; W210-I215 HydrophobicContact CZ3-CG1 3.64Å
211	K	98.5	Very high	97.7	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.03	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-49.5	178.2	-70.9	178.5	-67.1	-176.2	0	111.6	Q206 T207 K208 K213 Y214 I215 K320 D321 I322	Q206-K211 HydrophobicContact CB-CD 4.4Å; Q206-K211 HydrophobicContact CB-CG 3.99Å; Q206-K211 WeakPolarHBondContact O-CE 3.44Å; T207-K211 WeakPolarHBondContact O-CG 3.46Å; T207-K211 PolarHBondContact O-N 3Å; K208-K211 PolarHBondContact O-N 2.87Å; K211-K213 PolarHBondContact O-N 3.34Å; K211-Y214 PolarHBondContact O-N 2.9Å; K211-I215 WeakPolarHBondContact O-CB 3.35Å; K211-I215 PolarHBondContact O-N 2.9Å; K211-K320 PolarHBondContact NZ-O 2.97Å; K211-D321 IonicContact NZ-OD2 3.75Å; K211-D321 PolarHBondContact NZ-OD2 2.91Å; K211-D321 VanDerWaalsContact NZ-OD2 3.1Å; K211-I322 HydrophobicContact CB-CD1 4.11Å; K211-I322 HydrophobicContact CD-CD1 3.57Å; K211-I322 HydrophobicContact CD-CG1 4.46Å; K211-I322 HydrophobicContact CG-CD1 3.87Å
212	N	97.9	Very high	97.8	Very high	87 Å²	87	39.3 Å²	39.3	47%	0.465	19%	0.191	S	C	.	.	H	α-helix	trans	-60.3	-31	179	-73.6	-1.4	0	0	0	113.6	K208 W210	K208-N212 WeakPolarHBondContact O-CB 3.48Å; K208-N212 PolarHBondContact O-N 3.34Å; W210-N212 PolarHBondContact O-N 3.06Å
213	K	98.1	Very high	97.9	Very high	104 Å²	104	39.4 Å²	39.4	45%	0.452	19%	0.191	S	C	.	.	H	α-helix	trans	-81.3	-45.5	180	179.5	174.9	177.1	-173.5	0	112.3	Y179 L209 W210 K211	Y179-K213 VanDerWaalsContact CE2-O 3.27Å; Y179-K213 WeakPolarHBondContact CE2-O 3.07Å; L209-K213 WeakPolarHBondContact O-CB 3.25Å; L209-K213 PolarHBondContact O-N 3.24Å; W210-K213 PolarHBondContact O-N 2.98Å; K211-K213 PolarHBondContact O-N 3.34Å
214	Y	98.7	Very high	97.9	Very high	26 Å²	26	39.6 Å²	39.6	10%	0.102	19%	0.193	C	C	.	.	H	α-helix	trans	-105.3	-19.7	-164.7	-66.7	-68.8	0	0	0	114.5	V175 E176 Y179 V187 W210 K211	V175-Y214 HydrophobicContact CG1-CG 4.41Å; E176-Y214 HydrophobicContact CB-CE1 4.31Å; E176-Y214 HydrophobicContact CG-CD1 4.24Å; E176-Y214 HydrophobicContact CG-CD2 4.42Å; E176-Y214 HydrophobicContact CG-CE1 3.9Å; E176-Y214 HydrophobicContact CG-CE2 4.05Å; E176-Y214 HydrophobicContact CG-CG 4.49Å; Y179-Y214 AromaticContact CD1-CD1 3.83Å; Y179-Y214 HydrophobicContact CD1-CD1 3.83Å; Y179-Y214 AromaticContact CD1-CE1 3.66Å; Y179-Y214 HydrophobicContact CD1-CE1 3.66Å; Y179-Y214 AromaticContact CD2-CD1 3.86Å; Y179-Y214 HydrophobicContact CD2-CD1 3.86Å; Y179-Y214 HydrophobicContact CD2-CE1 4.5Å; Y179-Y214 HydrophobicContact CE1-CD1 4.32Å; Y179-Y214 HydrophobicContact CE1-CE1 4.03Å; Y179-Y214 HydrophobicContact CE2-CD1 4.34Å; Y179-Y214 AromaticContact CG-CD1 3.57Å; Y179-Y214 HydrophobicContact CG-CD1 3.57Å; Y179-Y214 AromaticContact CG-CE1 3.92Å; Y179-Y214 HydrophobicContact CG-CE1 3.92Å; V187-Y214 PolarHBondContact N-O 3.24Å; W210-Y214 AromaticContact CD1-CD2 3.42Å; W210-Y214 VanDerWaalsContact CD1-CD2 3.42Å; W210-Y214 AromaticContact CD1-CE2 3.44Å; W210-Y214 VanDerWaalsContact CD1-CE2 3.44Å; W210-Y214 AromaticContact CD2-CD2 3.77Å; W210-Y214 HydrophobicContact CD2-CD2 3.77Å; W210-Y214 AromaticContact CE2-CD2 3.51Å; W210-Y214 AromaticContact CG-CD2 3.71Å; W210-Y214 HydrophobicContact CG-CD2 3.71Å; W210-Y214 HydrophobicContact CG-CE2 4.13Å; W210-Y214 HydrophobicContact CZ2-CD2 4.19Å; W210-Y214 HydrophobicContact CZ2-CG 4.4Å; W210-Y214 AromaticContact NE1-CD2 3.28Å; W210-Y214 VanDerWaalsContact NE1-CD2 3.28Å; W210-Y214 AromaticContact NE1-CE2 3.43Å; W210-Y214 WeakPolarHBondContact O-CD2 3.44Å; W210-Y214 PolarHBondContact O-N 3.46Å; K211-Y214 PolarHBondContact O-N 2.9Å
215	I	98.7	Very high	98	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.1	-173	-53.9	-58.4	0	0	0	110	V175 V187 L189 L203 W210 K211 I322	V175-I215 HydrophobicContact CG1-CD1 3.91Å; V175-I215 HydrophobicContact CG2-CD1 4.45Å; V187-I215 WeakPolarHBondContact O-CA 3.15Å; L189-I215 HydrophobicContact CD1-CD1 3.81Å; L189-I215 HydrophobicContact CG-CD1 4.04Å; L203-I215 HydrophobicContact CD2-CD1 4.32Å; L203-I215 HydrophobicContact CD2-CG1 4.07Å; W210-I215 HydrophobicContact CE3-CG1 4.36Å; W210-I215 HydrophobicContact CH2-CD1 3.89Å; W210-I215 HydrophobicContact CH2-CG1 4.28Å; W210-I215 HydrophobicContact CZ3-CD1 3.76Å; W210-I215 HydrophobicContact CZ3-CG1 3.64Å; K211-I215 WeakPolarHBondContact O-CB 3.35Å; K211-I215 PolarHBondContact O-N 2.9Å; I215-I322 HydrophobicContact CG2-CD1 4.16Å; I215-I322 HydrophobicContact CG2-CG2 4.3Å
216	K	97.7	Very high	98.1	Very high	24 Å²	24	31.3 Å²	31.3	10%	0.104	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-57.3	165.8	172.2	167.9	-179.8	178.3	0	109.8	N43 P186 V187 V188 H407	N43-K216 HydrophobicContact CB-CD 3.78Å; N43-K216 WeakPolarHBondContact OD1-CD 3.49Å; N43-K216 PolarHBondContact OD1-NZ 3.32Å; P186-K216 HydrophobicContact CB-CB 3.97Å; V187-K216 PolarHBondContact O-N 2.69Å; V188-K216 HydrophobicContact CG2-CB 4.05Å; V188-K216 HydrophobicContact CG2-CD 3.89Å; V188-K216 HydrophobicContact CG2-CG 4.14Å; K216-H407 PolarHBondContact NZ-O 3.16Å
217	S	98.3	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155	-171.8	64.6	0	0	0	0	112.6	V188 L189 E324 H407	V188-S217 WeakPolarHBondContact CG1-OG 3.43Å; V188-S217 WeakPolarHBondContact CG2-OG 3.42Å; L189-S217 PolarHBondContact N-O 2.99Å; S217-E324 CarbonylContact C-O 3.57Å; S217-E324 WeakPolarHBondContact CA-O 3.12Å; S217-E324 WeakPolarHBondContact CB-O 3.49Å; S217-H407 WeakPolarHBondContact CB-NE2 3.46Å; S217-H407 PolarHBondContact OG-NE2 2.88Å
218	Y	98.6	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.1	166.7	168.3	-133.8	0	0	0	109.8	L189 S196 T199 L200 L203 S220 P319 E324 V325 Y326 W378	L189-Y218 WeakPolarHBondContact O-CA 3.21Å; S196-Y218 WeakPolarHBondContact CB-OH 3.42Å; S196-Y218 PolarHBondContact O-OH 3.41Å; T199-Y218 HydrophobicContact CG2-CD2 3.47Å; T199-Y218 VanDerWaalsContact CG2-CD2 3.47Å; T199-Y218 HydrophobicContact CG2-CE2 3.52Å; T199-Y218 HydrophobicContact CG2-CG 4.42Å; L200-Y218 HydrophobicContact CB-CE1 4.39Å; L200-Y218 HydrophobicContact CD1-CE1 4.35Å; L203-Y218 HydrophobicContact CD1-CD1 4.22Å; L203-Y218 HydrophobicContact CD1-CD2 4.2Å; L203-Y218 HydrophobicContact CD1-CG 3.77Å; Y218-S220 WeakPolarHBondContact OH-CB 3.29Å; Y218-S220 PolarHBondContact OH-OG 2.9Å; Y218-P319 HydrophobicContact CD1-CB 4.22Å; Y218-P319 HydrophobicContact CD1-CG 3.87Å; Y218-P319 HydrophobicContact CE1-CG 4.28Å; Y218-E324 PolarHBondContact N-O 3.24Å; Y218-V325 HydrophobicContact CD1-CG1 4.15Å; Y218-V325 WeakPolarHBondContact O-CA 3.24Å; Y218-Y326 PolarHBondContact O-N 2.78Å; Y218-W378 HydrophobicContact CE1-CH2 4.21Å; Y218-W378 HydrophobicContact CE1-CZ3 4.1Å
219	I	98.7	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	107.2	176.3	-52.6	175.6	0	0	0	107.8	V188 L189 L190 G191 V221 Y326 V328 F403	V188-I219 HydrophobicContact CG1-CD1 3.62Å; V188-I219 HydrophobicContact CG1-CG1 4.11Å; L189-I219 PolarHBondContact O-N 3.14Å; L190-I219 WeakPolarHBondContact CA-O 3.49Å; L190-I219 HydrophobicContact CB-CB 4.32Å; L190-I219 HydrophobicContact CD1-CD1 4.37Å; L190-I219 HydrophobicContact CD1-CG2 4.48Å; L190-I219 HydrophobicContact CG-CB 4.12Å; L190-I219 HydrophobicContact CG-CG2 4.23Å; G191-I219 PolarHBondContact N-O 3.34Å; I219-V221 HydrophobicContact CG2-CG2 3.86Å; I219-Y326 HydrophobicContact CG1-CD2 4.09Å; I219-Y326 HydrophobicContact CG1-CG 4.44Å; I219-V328 HydrophobicContact CG2-CG2 3.67Å; I219-F403 HydrophobicContact CD1-CE1 4.17Å; I219-F403 HydrophobicContact CD1-CZ 4.44Å; I219-F403 HydrophobicContact CG2-CE1 4.2Å
220	S	98.5	Very high	98.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.8	171.2	-176.6	0	0	0	0	109.3	S196 Y218 A223 F225 Y326 V328	S196-S220 WeakPolarHBondContact CB-OG 3.41Å; S196-S220 PolarHBondContact OG-OG 2.78Å; Y218-S220 WeakPolarHBondContact OH-CB 3.29Å; Y218-S220 PolarHBondContact OH-OG 2.9Å; S220-A223 VanDerWaalsContact OG-CB 3.22Å; S220-A223 WeakPolarHBondContact OG-CB 3.29Å; S220-F225 VanDerWaalsContact OG-CZ 3.29Å; S220-F225 WeakPolarHBondContact OG-CZ 3.39Å; S220-Y326 PolarHBondContact N-O 2.97Å; S220-V328 WeakPolarHBondContact O-CA 3.49Å; S220-V328 VanDerWaalsContact O-CB 3.28Å; S220-V328 WeakPolarHBondContact O-CB 3.33Å; S220-V328 PolarHBondContact O-N 2.91Å
221	V	98.8	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.1	-179.5	-170.4	0	0	0	0	110.1	L190 G191 H192 S193 S196 I219 A223 V328 I394 L395 F400	L190-V221 HydrophobicContact CD2-CG2 3.92Å; L190-V221 HydrophobicContact CG-CG2 4.12Å; G191-V221 PolarHBondContact O-N 2.7Å; H192-V221 CarbonylContact C-O 3.45Å; H192-V221 WeakPolarHBondContact CA-O 3.22Å; H192-V221 HydrophobicContact CB-CB 4.48Å; S193-V221 PolarHBondContact N-O 3.42Å; S196-V221 PolarHBondContact OG-N 3.23Å; S196-V221 PolarHBondContact OG-O 3.35Å; I219-V221 HydrophobicContact CG2-CG2 3.86Å; V221-A223 VanDerWaalsContact C-N 3.28Å; V221-A223 PolarHBondContact O-N 3.17Å; V221-V328 CarbonylContact C-O 3.44Å; V221-V328 WeakPolarHBondContact CA-O 3.3Å; V221-V328 HydrophobicContact CG1-CB 4.46Å; V221-V328 HydrophobicContact CG1-CG1 4.34Å; V221-V328 HydrophobicContact CG2-CB 4.23Å; V221-V328 HydrophobicContact CG2-CG2 4.45Å; V221-I394 HydrophobicContact CG1-CD1 4.14Å; V221-I394 HydrophobicContact CG1-CG1 4.48Å; V221-I394 HydrophobicContact CG1-CG2 3.77Å; V221-L395 HydrophobicContact CG1-CD2 4.31Å; V221-F400 HydrophobicContact CG1-CE2 4.22Å; V221-F400 HydrophobicContact CG1-CZ 4.2Å; V221-F400 HydrophobicContact CG2-CE2 3.72Å; V221-F400 HydrophobicContact CG2-CZ 3.72Å
222	S	98.5	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	52.5	39.3	177.6	-56.4	0	0	0	0	114.6	S193 V328 H391	S193-S222 WeakPolarHBondContact CA-O 3.36Å; S222-V328 PolarHBondContact N-O 3.13Å; S222-H391 PolarHBondContact O-CE1 3.17Å; S222-H391 VanDerWaalsContact O-CE1 3.23Å
223	A	98.3	Very high	98.1	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	6%	0.062	C	C	.	.			trans	-74.9	131.1	-174.5	0	0	0	0	0	112.8	S196 L197 S220 V221 F225	S196-A223 VanDerWaalsContact CB-CB 3.47Å; L197-A223 HydrophobicContact CD2-CB 4.44Å; S220-A223 VanDerWaalsContact OG-CB 3.22Å; S220-A223 WeakPolarHBondContact OG-CB 3.29Å; V221-A223 VanDerWaalsContact C-N 3.28Å; V221-A223 PolarHBondContact O-N 3.17Å; A223-F225 HydrophobicContact CB-CD1 4.44Å; A223-F225 HydrophobicContact CB-CD2 3.83Å; A223-F225 HydrophobicContact CB-CE1 4.06Å; A223-F225 HydrophobicContact CB-CE2 3.4Å; A223-F225 HydrophobicContact CB-CG 4.33Å; A223-F225 HydrophobicContact CB-CZ 3.53Å; A223-F225 PolarHBondContact O-N 2.98Å
224	P	97.8	Very high	98	Very high	5 Å²	5	8.4 Å²	8.4	3%	0.032	4%	0.042	C	C	.	.			trans	-82.1	63.5	174.9	34	-34.1	0	0	0	111.2	L197 G226 G227 T264 V367 S371	L197-P224 HydrophobicContact CD1-CG 4.06Å; P224-G226 PolarHBondContact O-N 3.05Å; P224-G227 PolarHBondContact O-N 2.89Å; P224-T264 HydrophobicContact CG-CG2 4.44Å; P224-V367 HydrophobicContact CB-CG1 3.81Å; P224-V367 HydrophobicContact CB-CG2 3.92Å; P224-S371 WeakPolarHBondContact CA-OG 3.32Å
225	F	97.7	Very high	98	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.009	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.2	-177.6	-69.1	-68	0	0	0	113.4	L197 L200 S220 A223 L316 S371 H374 C375 W378	L197-F225 HydrophobicContact CD2-CD1 3.52Å; L197-F225 HydrophobicContact CD2-CE1 3.82Å; L197-F225 HydrophobicContact CD2-CG 4.28Å; L200-F225 HydrophobicContact CD2-CD1 4.41Å; L200-F225 HydrophobicContact CD2-CE1 3.89Å; S220-F225 VanDerWaalsContact OG-CZ 3.29Å; S220-F225 WeakPolarHBondContact OG-CZ 3.39Å; A223-F225 HydrophobicContact CB-CD1 4.44Å; A223-F225 HydrophobicContact CB-CD2 3.83Å; A223-F225 HydrophobicContact CB-CE1 4.06Å; A223-F225 HydrophobicContact CB-CE2 3.4Å; A223-F225 HydrophobicContact CB-CG 4.33Å; A223-F225 HydrophobicContact CB-CZ 3.53Å; A223-F225 PolarHBondContact O-N 2.98Å; F225-L316 WeakPolarHBondContact O-CD2 3.33Å; F225-S371 PolarHBondContact N-OG 3.05Å; F225-H374 HydrophobicContact CB-CB 3.69Å; F225-H374 HydrophobicContact CD2-CB 4.16Å; F225-H374 HydrophobicContact CG-CB 4.19Å; F225-C375 HydrophobicContact CD2-CB 4.18Å; F225-C375 HydrophobicContact CE2-CB 3.49Å; F225-C375 VanDerWaalsContact CE2-CB 3.49Å; F225-C375 WeakPolarHBondContact CE2-SG 3.1Å; F225-C375 HydrophobicContact CZ-CB 3.93Å; F225-W378 HydrophobicContact CD1-CH2 4.45Å; F225-W378 HydrophobicContact CD1-CZ2 4.23Å; F225-W378 AromaticContact CE1-CH2 3.47Å; F225-W378 HydrophobicContact CE1-CH2 3.47Å; F225-W378 VanDerWaalsContact CE1-CH2 3.47Å; F225-W378 AromaticContact CE1-CZ2 3.65Å; F225-W378 HydrophobicContact CE1-CZ2 3.65Å; F225-W378 HydrophobicContact CE2-CH2 4.25Å; F225-W378 AromaticContact CZ-CH2 3.33Å; F225-W378 HydrophobicContact CZ-CH2 3.33Å; F225-W378 AromaticContact CZ-CZ2 3.85Å; F225-W378 HydrophobicContact CZ-CZ2 3.85Å; F225-W378 HydrophobicContact CZ-CZ3 4.17Å
226	G	96.8	Very high	97.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	17.6	173.1	0	0	0	0	0	113.9	P224 P266 D267 W271 S371	P224-G226 PolarHBondContact O-N 3.05Å; G226-P266 CarbonylContact O-C 3.52Å; G226-P266 VanDerWaalsContact O-CA 3.3Å; G226-P266 WeakPolarHBondContact O-CA 3.23Å; G226-D267 PolarHBondContact O-N 3.41Å; G226-W271 PolarHBondContact O-NE1 2.83Å; G226-S371 VanDerWaalsContact C-OG 3.28Å; G226-S371 WeakPolarHBondContact CA-OG 3.27Å; G226-S371 PolarHBondContact N-OG 2.59Å
227	G	97.7	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.			trans	72.6	-174.4	-175.4	0	0	0	0	0	114.5	P224 T264 I265 S371	P224-G227 PolarHBondContact O-N 2.89Å; G227-T264 CarbonylContact C-O 3.57Å; G227-T264 WeakPolarHBondContact CA-O 3.45Å; G227-I265 WeakPolarHBondContact CA-O 3.5Å; G227-S371 PolarHBondContact N-OG 2.78Å; G227-S371 VanDerWaalsContact N-OG 3.16Å; G227-S371 WeakPolarHBondContact O-CB 3.35Å; G227-S371 PolarHBondContact O-OG 3.4Å
228	A	98.3	Very high	97.7	Very high	6 Å²	6	6 Å²	6	5%	0.05	3%	0.033	C	C	.	.			trans	-141.6	137.5	-176.5	0	0	0	0	0	111.5	K230 A231 T264 P266 V367	A228-K230 PolarHBondContact O-N 2.82Å; A228-A231 WeakPolarHBondContact O-CB 3.23Å; A228-A231 PolarHBondContact O-N 2.92Å; A228-T264 PolarHBondContact N-O 3.17Å; A228-P266 WeakPolarHBondContact O-CD 3.45Å; A228-V367 HydrophobicContact CB-CB 4.48Å; A228-V367 HydrophobicContact CB-CG1 4.48Å; A228-V367 HydrophobicContact CB-CG2 4.26Å
229	V	98.4	Very high	97.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62	-27.8	176.5	-178.6	0	0	0	0	111.5	A231 L232 L233 P266 W271 I277 I336 L339 N368	V229-A231 VanDerWaalsContact C-N 3.29Å; V229-A231 PolarHBondContact O-N 3.3Å; V229-L232 WeakPolarHBondContact O-CA 3.39Å; V229-L232 VanDerWaalsContact O-CB 3.29Å; V229-L232 WeakPolarHBondContact O-CB 3.5Å; V229-L232 PolarHBondContact O-N 3.47Å; V229-L233 PolarHBondContact O-N 2.97Å; V229-P266 HydrophobicContact CG2-CG 3.98Å; V229-W271 HydrophobicContact CG2-CH2 3.47Å; V229-W271 VanDerWaalsContact CG2-CH2 3.47Å; V229-W271 HydrophobicContact CG2-CZ2 4.23Å; V229-W271 HydrophobicContact CG2-CZ3 3.9Å; V229-I277 HydrophobicContact CB-CG2 4.31Å; V229-I277 HydrophobicContact CG1-CG2 3.65Å; V229-I277 HydrophobicContact CG2-CG2 3.81Å; V229-I336 HydrophobicContact CB-CG2 4.34Å; V229-I336 VanDerWaalsContact CB-O 3.23Å; V229-I336 WeakPolarHBondContact CB-O 3.36Å; V229-I336 HydrophobicContact CG1-CB 4.42Å; V229-I336 HydrophobicContact CG1-CG2 3.73Å; V229-I336 WeakPolarHBondContact CG2-O 3.41Å; V229-L339 HydrophobicContact CG1-CD2 4.29Å; V229-L339 HydrophobicContact CG1-CG 4.27Å; V229-N368 PolarHBondContact N-OD1 2.88Å
230	K	97.2	Very high	96.4	Very high	73 Å²	73	8.6 Å²	8.6	32%	0.317	5%	0.047	S	C	.	.	H	α-helix	trans	-60.8	-35.8	173.3	-169.9	173.4	-178.1	177.5	0	112.9	A228 L232 L233 G234 D239 I336 T366	A228-K230 PolarHBondContact O-N 2.82Å; K230-L232 VanDerWaalsContact C-N 3.29Å; K230-L232 PolarHBondContact O-N 3.33Å; K230-L233 WeakPolarHBondContact O-CB 3.49Å; K230-L233 PolarHBondContact O-N 3.41Å; K230-G234 PolarHBondContact O-N 3.36Å; K230-G234 VanDerWaalsContact O-N 3.14Å; K230-D239 WeakPolarHBondContact CE-OD2 3.4Å; K230-I336 HydrophobicContact CB-CD1 4.28Å; K230-I336 HydrophobicContact CG-CD1 4.22Å; K230-T366 HydrophobicContact CD-CG2 4.15Å
231	A	97.7	Very high	95.4	Very high	14 Å²	14	13.2 Å²	13.2	12%	0.116	7%	0.067	C	C	.	.	H	α-helix	trans	-64.1	-38.8	173.5	0	0	0	0	0	110.9	A228 V229 L233 G234 V235 I261 T264 I265	A228-A231 WeakPolarHBondContact O-CB 3.23Å; A228-A231 PolarHBondContact O-N 2.92Å; V229-A231 VanDerWaalsContact C-N 3.29Å; V229-A231 PolarHBondContact O-N 3.3Å; A231-L233 PolarHBondContact O-N 2.93Å; A231-G234 WeakPolarHBondContact O-CA 3.27Å; A231-G234 PolarHBondContact O-N 2.8Å; A231-G234 VanDerWaalsContact O-N 3.13Å; A231-V235 WeakPolarHBondContact O-CG2 3.44Å; A231-V235 PolarHBondContact O-N 3.28Å; A231-I261 HydrophobicContact CB-CG2 4.5Å; A231-T264 WeakPolarHBondContact CB-O 3.36Å; A231-I265 HydrophobicContact CB-CG2 4.11Å
232	L	97.5	Very high	94	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-38.4	176.7	-164.9	61.5	0	0	0	112.2	V229 K230 G234 V235 I236 I265 I277 I278 Y290 L293	V229-L232 WeakPolarHBondContact O-CA 3.39Å; V229-L232 VanDerWaalsContact O-CB 3.29Å; V229-L232 WeakPolarHBondContact O-CB 3.5Å; V229-L232 PolarHBondContact O-N 3.47Å; K230-L232 VanDerWaalsContact C-N 3.29Å; K230-L232 PolarHBondContact O-N 3.33Å; L232-G234 VanDerWaalsContact C-N 3.32Å; L232-G234 PolarHBondContact O-N 3.29Å; L232-V235 PolarHBondContact O-N 3.02Å; L232-I236 HydrophobicContact CD1-CD1 4.02Å; L232-I236 HydrophobicContact CD1-CG1 4.41Å; L232-I236 HydrophobicContact CD2-CD1 4.47Å; L232-I236 HydrophobicContact CG-CD1 3.75Å; L232-I236 HydrophobicContact CG-CG1 4.46Å; L232-I236 VanDerWaalsContact O-CG1 3.32Å; L232-I236 WeakPolarHBondContact O-CG1 3.45Å; L232-I236 PolarHBondContact O-N 2.96Å; L232-I265 HydrophobicContact CB-CG2 4.33Å; L232-I265 HydrophobicContact CD1-CB 4.24Å; L232-I265 HydrophobicContact CD1-CD1 4.44Å; L232-I265 HydrophobicContact CD1-CG2 4.08Å; L232-I277 HydrophobicContact CD2-CG2 3.67Å; L232-I278 HydrophobicContact CD2-CD1 3.65Å; L232-I278 HydrophobicContact CD2-CG1 4.05Å; L232-I278 HydrophobicContact CG-CD1 4.18Å; L232-Y290 HydrophobicContact CD1-CE1 4.24Å; L232-Y290 HydrophobicContact CD2-CE1 4.47Å; L232-L293 HydrophobicContact CD1-CD2 4.08Å
233	L	97.4	Very high	92.6	Very high	17 Å²	17	17.2 Å²	17.2	9%	0.089	10%	0.099	C	C	.	.	H	α-helix	trans	-56.9	-46.8	169.9	175.9	65.5	0	0	0	111.1	V229 K230 A231 V235 I236 T237 G238 I336 L339 P356 L358	V229-L233 PolarHBondContact O-N 2.97Å; K230-L233 WeakPolarHBondContact O-CB 3.49Å; K230-L233 PolarHBondContact O-N 3.41Å; A231-L233 PolarHBondContact O-N 2.93Å; L233-V235 VanDerWaalsContact C-N 3.31Å; L233-V235 PolarHBondContact O-N 3.23Å; L233-I236 PolarHBondContact O-N 3.14Å; L233-T237 HydrophobicContact CD1-CG2 4.43Å; L233-T237 PolarHBondContact O-N 3.4Å; L233-G238 PolarHBondContact O-N 3.28Å; L233-I336 HydrophobicContact CD2-CD1 3.86Å; L233-L339 HydrophobicContact CB-CD1 4.07Å; L233-L339 HydrophobicContact CB-CD2 4.1Å; L233-L339 HydrophobicContact CD1-CD1 4.29Å; L233-L339 HydrophobicContact CD1-CD2 4.09Å; L233-P356 HydrophobicContact CD1-CG 3.74Å; L233-L358 HydrophobicContact CD1-CD2 4.47Å; L233-L358 HydrophobicContact CD2-CD2 4.33Å
234	G	96.9	Very high	91.2	Very high	4 Å²	4	27.1 Å²	27.1	4%	0.041	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-37.7	176.6	0	0	0	0	0	113.6	K230 A231 L232 G238	K230-G234 PolarHBondContact O-N 3.36Å; K230-G234 VanDerWaalsContact O-N 3.14Å; A231-G234 WeakPolarHBondContact O-CA 3.27Å; A231-G234 PolarHBondContact O-N 2.8Å; A231-G234 VanDerWaalsContact O-N 3.13Å; L232-G234 VanDerWaalsContact C-N 3.32Å; L232-G234 PolarHBondContact O-N 3.29Å; G234-G238 VanDerWaalsContact O-CA 3.27Å; G234-G238 WeakPolarHBondContact O-CA 3.47Å; G234-G238 PolarHBondContact O-N 3.09Å
235	V	98	Very high	90.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-74.3	-39.7	177.8	173.5	0	0	0	0	112.3	A231 L232 L233 R256 I261 I262 I265 F294 I297 F299	A231-V235 WeakPolarHBondContact O-CG2 3.44Å; A231-V235 PolarHBondContact O-N 3.28Å; L232-V235 PolarHBondContact O-N 3.02Å; L233-V235 VanDerWaalsContact C-N 3.31Å; L233-V235 PolarHBondContact O-N 3.23Å; V235-R256 PolarHBondContact O-NE 3.46Å; V235-R256 PolarHBondContact O-NH2 2.94Å; V235-I261 HydrophobicContact CG2-CG2 4.04Å; V235-I262 HydrophobicContact CG2-CG1 4.4Å; V235-I265 HydrophobicContact CG2-CG2 4.19Å; V235-F294 HydrophobicContact CG1-CE1 3.82Å; V235-F294 HydrophobicContact CG1-CZ 4.15Å; V235-I297 HydrophobicContact CG1-CD1 4.25Å; V235-F299 HydrophobicContact CG1-CD1 4.15Å; V235-F299 HydrophobicContact CG1-CE1 4.36Å
236	I	97.7	Very high	89.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-85.8	-56	-172.5	-62.4	171.7	0	0	0	111.9	L232 L233 R252 I278 L293 I297 L339 Y341 F351 P352	L232-I236 HydrophobicContact CD1-CD1 4.02Å; L232-I236 HydrophobicContact CD1-CG1 4.41Å; L232-I236 HydrophobicContact CD2-CD1 4.47Å; L232-I236 HydrophobicContact CG-CD1 3.75Å; L232-I236 HydrophobicContact CG-CG1 4.46Å; L232-I236 VanDerWaalsContact O-CG1 3.32Å; L232-I236 WeakPolarHBondContact O-CG1 3.45Å; L232-I236 PolarHBondContact O-N 2.96Å; L233-I236 PolarHBondContact O-N 3.14Å; I236-R252 WeakPolarHBondContact O-CD 3.36Å; I236-R252 PolarHBondContact O-NH1 3.48Å; I236-R252 VanDerWaalsContact O-NH1 3.14Å; I236-I278 HydrophobicContact CD1-CD1 3.31Å; I236-I278 HydrophobicContact CD1-CG1 4.08Å; I236-L293 HydrophobicContact CD1-CD1 4.14Å; I236-L293 HydrophobicContact CD1-CD2 4.2Å; I236-I297 HydrophobicContact CG1-CD1 4.06Å; I236-I297 HydrophobicContact CG1-CG2 4.44Å; I236-I297 HydrophobicContact CG2-CG2 4.09Å; I236-L339 HydrophobicContact CD1-CD1 4.31Å; I236-Y341 HydrophobicContact CG2-CE1 4.45Å; I236-Y341 HydrophobicContact CG2-CE2 4.37Å; I236-Y341 WeakPolarHBondContact CG2-OH 3.43Å; I236-F351 HydrophobicContact CG2-CE2 3.8Å; I236-F351 HydrophobicContact CG2-CZ 4.36Å; I236-P352 HydrophobicContact CG2-CB 3.63Å
237	T	95.6	Very high	89	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-34.3	-176.7	-62.2	0	0	0	0	111.4	L233 P248 L249 Y341 Q354 P356	L233-T237 HydrophobicContact CD1-CG2 4.43Å; L233-T237 PolarHBondContact O-N 3.4Å; T237-P248 HydrophobicContact CG2-CB 3.99Å; T237-P248 CarbonylContact O-C 3.56Å; T237-L249 HydrophobicContact CG2-CD1 3.81Å; T237-L249 VanDerWaalsContact O-CA 3.23Å; T237-L249 WeakPolarHBondContact O-CA 3.49Å; T237-L249 PolarHBondContact O-N 3.24Å; T237-Y341 PolarHBondContact OG1-OH 2.94Å; T237-Q354 VanDerWaalsContact CG2-O 3.3Å; T237-Q354 WeakPolarHBondContact CG2-O 3.48Å; T237-Q354 PolarHBondContact OG1-O 3.44Å; T237-P356 WeakPolarHBondContact OG1-CD 3.48Å
238	G	94.6	Very high	88.7	Confident	1 Å²	1	43 Å²	43	1%	0.01	22%	0.216	C	C	.	.			trans	92.1	168.4	-160.4	0	0	0	0	0	111.7	L233 G234 P248	L233-G238 PolarHBondContact O-N 3.28Å; G234-G238 VanDerWaalsContact O-CA 3.27Å; G234-G238 WeakPolarHBondContact O-CA 3.47Å; G234-G238 PolarHBondContact O-N 3.09Å; G238-P248 CarbonylContact C-O 3.5Å; G238-P248 WeakPolarHBondContact CA-O 3.49Å; G238-P248 WeakPolarHBondContact O-CB 3.37Å
239	D	89.1	Confident	88.5	Confident	26 Å²	26	45 Å²	45	14%	0.139	23%	0.226	C	C	.	.			trans	-139.3	124.9	178.8	-171.3	-16.7	0	0	0	107.8	K230 F241 F251 L255	K230-D239 WeakPolarHBondContact CE-OD2 3.4Å; D239-F241 VanDerWaalsContact C-N 3.31Å; D239-F241 WeakPolarHBondContact O-CD2 3.35Å; D239-F241 WeakPolarHBondContact O-CE2 3.48Å; D239-F241 WeakPolarHBondContact OD1-CA 3.5Å; D239-F241 PolarHBondContact OD1-N 2.96Å; D239-F251 VanDerWaalsContact O-CB 3.22Å; D239-F251 WeakPolarHBondContact O-CB 3.27Å; D239-F251 WeakPolarHBondContact O-CG 3.5Å; D239-L255 HydrophobicContact CB-CD1 4.01Å; D239-L255 VanDerWaalsContact N-CD1 3.34Å
240	N	82.2	Confident	88.2	Confident	28 Å²	28	46.1 Å²	46.1	15%	0.15	23%	0.234	C	C	.	.			trans	-91.4	6.9	178.5	66.9	-9	0	0	0	112.8	G242 I243 R246 P248 F251	N240-G242 PolarHBondContact O-N 2.92Å; N240-G242 VanDerWaalsContact O-N 3.14Å; N240-G242 PolarHBondContact OD1-N 2.98Å; N240-I243 PolarHBondContact ND2-O 2.9Å; N240-I243 VanDerWaalsContact O-CB 3.27Å; N240-I243 WeakPolarHBondContact O-CB 3.35Å; N240-I243 VanDerWaalsContact O-CG1 3.26Å; N240-I243 WeakPolarHBondContact O-CG1 3.44Å; N240-I243 PolarHBondContact O-N 3.19Å; N240-R246 WeakPolarHBondContact CB-O 3.32Å; N240-R246 PolarHBondContact ND2-O 2.84Å; N240-P248 HydrophobicContact CB-CG 4.36Å; N240-F251 HydrophobicContact CB-CD2 3.93Å; N240-F251 HydrophobicContact CB-CE2 3.91Å
241	F	76.8	Confident	88.1	Confident	99 Å²	99	42.7 Å²	42.7	43%	0.434	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	28	179	-51.8	-85.3	0	0	0	113.5	M77 D239 I243 F251 L255	M77-F241 HydrophobicContact CE-CB 4.45Å; M77-F241 HydrophobicContact CE-CD2 3.42Å; M77-F241 VanDerWaalsContact CE-CD2 3.42Å; M77-F241 HydrophobicContact CE-CE2 3.93Å; M77-F241 HydrophobicContact CE-CG 4.16Å; D239-F241 VanDerWaalsContact C-N 3.31Å; D239-F241 WeakPolarHBondContact O-CD2 3.35Å; D239-F241 WeakPolarHBondContact O-CE2 3.48Å; D239-F241 WeakPolarHBondContact OD1-CA 3.5Å; D239-F241 PolarHBondContact OD1-N 2.96Å; F241-I243 VanDerWaalsContact C-N 3.34Å; F241-F251 HydrophobicContact CD2-CD1 4.44Å; F241-F251 HydrophobicContact CD2-CE1 4.42Å; F241-F251 HydrophobicContact CE2-CD1 4.09Å; F241-F251 HydrophobicContact CE2-CE1 4.4Å; F241-L255 HydrophobicContact CE2-CD2 4.44Å; F241-L255 HydrophobicContact CZ-CD2 3.92Å
242	G	69.5	Low	88	Confident	49 Å²	49	43.9 Å²	43.9	51%	0.505	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	7.4	-176.8	0	0	0	0	0	114.9	N240 F244	N240-G242 PolarHBondContact O-N 2.92Å; N240-G242 VanDerWaalsContact O-N 3.14Å; N240-G242 PolarHBondContact OD1-N 2.98Å; G242-F244 PolarHBondContact O-N 3.22Å; G242-F244 VanDerWaalsContact O-N 3.12Å
243	I	69.6	Low	88	Confident	34 Å²	34	47 Å²	47	17%	0.174	24%	0.24	C	C	.	.			trans	-75.8	101.2	177	-59.6	171	0	0	0	109.5	M77 M78 N240 F241 Y245 R246 F251	M77-I243 HydrophobicContact CB-CD1 3.6Å; M77-I243 HydrophobicContact CE-CD1 3.62Å; M77-I243 HydrophobicContact CG-CD1 4.31Å; M78-I243 HydrophobicContact SD-CG2 3.94Å; N240-I243 PolarHBondContact ND2-O 2.9Å; N240-I243 VanDerWaalsContact O-CB 3.27Å; N240-I243 WeakPolarHBondContact O-CB 3.35Å; N240-I243 VanDerWaalsContact O-CG1 3.26Å; N240-I243 WeakPolarHBondContact O-CG1 3.44Å; N240-I243 PolarHBondContact O-N 3.19Å; F241-I243 VanDerWaalsContact C-N 3.34Å; I243-Y245 PolarHBondContact O-N 3.35Å; I243-Y245 VanDerWaalsContact O-N 3.09Å; I243-R246 PolarHBondContact O-N 2.71Å; I243-R246 VanDerWaalsContact O-O 3.13Å; I243-F251 HydrophobicContact CD1-CZ 4.34Å
244	F	68	Low	87.9	Confident	209 Å²	209	46.3 Å²	46.3	92%	0.917	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.4	-175.7	-62.3	-75.1	0	0	0	114.8	G242	G242-F244 PolarHBondContact O-N 3.22Å; G242-F244 VanDerWaalsContact O-N 3.12Å
245	Y	76.9	Confident	87.9	Confident	180 Å²	180	46.6 Å²	46.6	71%	0.706	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.8	-175	-169	-99.5	0	0	0	114.2	M78 I243	M78-Y245 HydrophobicContact CE-CD1 3.35Å; M78-Y245 HydrophobicContact CE-CD2 4.43Å; M78-Y245 HydrophobicContact CE-CE1 4.07Å; M78-Y245 HydrophobicContact CE-CG 3.57Å; M78-Y245 HydrophobicContact SD-CD1 4.33Å; I243-Y245 PolarHBondContact O-N 3.35Å; I243-Y245 VanDerWaalsContact O-N 3.09Å
246	R	82	Confident	87.9	Confident	49 Å²	49	48 Å²	48	19%	0.185	24%	0.243	C	C	.	.	S	Bend	trans	-122.9	137.7	-177	-61.9	-59.2	-71.2	-127.5	9.2	110.5	M78 P80 E81 N240 I243 F251	M78-R246 PolarHBondContact O-NH1 3.4Å; P80-R246 VanDerWaalsContact CG-NH2 3.32Å; E81-R246 IonicContact OE1-CZ 3.82Å; E81-R246 IonicContact OE1-NH2 2.7Å; E81-R246 PolarHBondContact OE1-NH2 3.1Å; E81-R246 IonicContact OE2-CZ 2.8Å; E81-R246 IonicContact OE2-NH1 3.52Å; E81-R246 IonicContact OE2-NH2 3.77Å; E81-R246 PolarHBondContact OE2-NH2 3.04Å; N240-R246 WeakPolarHBondContact CB-O 3.32Å; N240-R246 PolarHBondContact ND2-O 2.84Å; I243-R246 PolarHBondContact O-N 2.71Å; I243-R246 VanDerWaalsContact O-O 3.13Å; R246-F251 HydrophobicContact CB-CE2 3.88Å
247	T	89	Confident	87.9	Confident	87 Å²	87	48.3 Å²	48.3	53%	0.534	25%	0.245	S	C	.	.			trans	-69.9	148	177.8	64.4	0	0	0	0	110.2	L249 S250	T247-L249 PolarHBondContact O-N 2.01Å; T247-S250 PolarHBondContact O-N 2.92Å; T247-S250 PolarHBondContact O-OG 2.97Å; T247-S250 PolarHBondContact OG1-N 3.05Å
248	P	90.3	Very high	88	Confident	25 Å²	25	48.4 Å²	48.4	16%	0.162	25%	0.245	C	C	.	.	H	α-helix	trans	-52.5	-36.9	172.9	-28.8	36	0	0	0	113	T237 G238 N240 S250 F251 R252	T237-P248 HydrophobicContact CG2-CB 3.99Å; T237-P248 CarbonylContact O-C 3.56Å; G238-P248 CarbonylContact C-O 3.5Å; G238-P248 WeakPolarHBondContact CA-O 3.49Å; G238-P248 WeakPolarHBondContact O-CB 3.37Å; N240-P248 HydrophobicContact CB-CG 4.36Å; P248-S250 PolarHBondContact O-N 3.06Å; P248-F251 PolarHBondContact O-N 3.38Å; P248-R252 PolarHBondContact O-N 3.38Å
249	L	93.3	Very high	88.2	Confident	49 Å²	49	48.4 Å²	48.4	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-54.6	-35.3	176.2	-90.7	70.4	0	0	0	113.7	T237 T247 F251 R252 N353	T237-L249 HydrophobicContact CG2-CD1 3.81Å; T237-L249 VanDerWaalsContact O-CA 3.23Å; T237-L249 WeakPolarHBondContact O-CA 3.49Å; T237-L249 PolarHBondContact O-N 3.24Å; T247-L249 PolarHBondContact O-N 2.01Å; L249-F251 PolarHBondContact O-N 2.8Å; L249-R252 WeakPolarHBondContact O-CB 3.34Å; L249-R252 PolarHBondContact O-N 3.19Å; L249-R252 VanDerWaalsContact O-N 3.17Å; L249-N353 HydrophobicContact CD2-CB 4.12Å
250	S	93.5	Very high	88.6	Confident	23 Å²	23	47.1 Å²	47.1	16%	0.161	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-21.4	-179.2	66.1	0	0	0	0	113.4	P80 T247 P248	P80-S250 WeakPolarHBondContact CB-O 3.22Å; P80-S250 WeakPolarHBondContact CG-OG 3.22Å; T247-S250 PolarHBondContact O-N 2.92Å; T247-S250 PolarHBondContact O-OG 2.97Å; T247-S250 PolarHBondContact OG1-N 3.05Å; P248-S250 PolarHBondContact O-N 3.06Å
251	F	94.7	Very high	89.3	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-92.7	-13.1	174.8	-71.7	-91.7	0	0	0	113.5	M77 P80 L83 D239 N240 F241 I243 R246 P248 L249 P253 I254 L255	M77-F251 HydrophobicContact CE-CD1 4.49Å; M77-F251 HydrophobicContact CE-CE1 3.53Å; M77-F251 HydrophobicContact CE-CZ 3.84Å; M77-F251 VanDerWaalsContact O-CZ 3.24Å; M77-F251 WeakPolarHBondContact O-CZ 3.46Å; M77-F251 HydrophobicContact SD-CE1 4.07Å; P80-F251 HydrophobicContact CB-CD1 4.08Å; P80-F251 HydrophobicContact CB-CD2 4.42Å; P80-F251 HydrophobicContact CB-CE1 4.03Å; P80-F251 HydrophobicContact CB-CE2 4.38Å; P80-F251 HydrophobicContact CB-CG 4.3Å; P80-F251 HydrophobicContact CB-CZ 4.2Å; P80-F251 HydrophobicContact CG-CE2 4.34Å; P80-F251 HydrophobicContact CG-CZ 4.44Å; L83-F251 HydrophobicContact CD2-CE1 4.4Å; D239-F251 VanDerWaalsContact O-CB 3.22Å; D239-F251 WeakPolarHBondContact O-CB 3.27Å; D239-F251 WeakPolarHBondContact O-CG 3.5Å; N240-F251 HydrophobicContact CB-CD2 3.93Å; N240-F251 HydrophobicContact CB-CE2 3.91Å; F241-F251 HydrophobicContact CD2-CD1 4.44Å; F241-F251 HydrophobicContact CD2-CE1 4.42Å; F241-F251 HydrophobicContact CE2-CD1 4.09Å; F241-F251 HydrophobicContact CE2-CE1 4.4Å; I243-F251 HydrophobicContact CD1-CZ 4.34Å; R246-F251 HydrophobicContact CB-CE2 3.88Å; P248-F251 PolarHBondContact O-N 3.38Å; L249-F251 PolarHBondContact O-N 2.8Å; F251-P253 VanDerWaalsContact C-CD 3.45Å; F251-P253 VanDerWaalsContact C-N 3.34Å; F251-I254 HydrophobicContact CB-CG2 4.33Å; F251-I254 HydrophobicContact CD1-CG2 4.23Å; F251-I254 WeakPolarHBondContact O-CG2 3.34Å; F251-I254 PolarHBondContact O-N 3.18Å; F251-I254 VanDerWaalsContact O-N 3.15Å; F251-L255 HydrophobicContact CB-CD1 4.18Å; F251-L255 HydrophobicContact CB-CG 4.47Å; F251-L255 WeakPolarHBondContact O-CG 3.24Å; F251-L255 PolarHBondContact O-N 3.21Å
252	R	96.5	Very high	90.4	Very high	39 Å²	39	41.7 Å²	41.7	15%	0.147	21%	0.213	C	C	.	.	H	α-helix	trans	-53.4	-42.6	-179.2	-174.2	174.5	67	-176.8	-1.5	113.6	I236 P248 L249 I254 L255 R256 N353	I236-R252 WeakPolarHBondContact O-CD 3.36Å; I236-R252 PolarHBondContact O-NH1 3.48Å; I236-R252 VanDerWaalsContact O-NH1 3.14Å; P248-R252 PolarHBondContact O-N 3.38Å; L249-R252 WeakPolarHBondContact O-CB 3.34Å; L249-R252 PolarHBondContact O-N 3.19Å; L249-R252 VanDerWaalsContact O-N 3.17Å; R252-I254 VanDerWaalsContact C-N 3.34Å; R252-I254 PolarHBondContact O-N 3.14Å; R252-L255 PolarHBondContact O-N 3.26Å; R252-R256 HydrophobicContact CG-CG 4.1Å; R252-R256 VanDerWaalsContact O-CB 3.27Å; R252-R256 WeakPolarHBondContact O-CB 2.99Å; R252-R256 WeakPolarHBondContact O-CG 3.49Å; R252-R256 PolarHBondContact O-N 3.18Å; R252-N353 PolarHBondContact NH1-OD1 2.66Å; R252-N353 PolarHBondContact NH2-OD1 2.54Å
253	P	96.8	Very high	91.6	Very high	65 Å²	65	39.4 Å²	39.4	42%	0.422	19%	0.19	S	C	.	.	H	α-helix	trans	-60	-40.5	178.9	-25.5	36.3	0	0	0	113.6	Q84 F251 S257	Q84-P253 HydrophobicContact CG-CB 4.32Å; F251-P253 VanDerWaalsContact C-CD 3.45Å; F251-P253 VanDerWaalsContact C-N 3.34Å; P253-S257 PolarHBondContact O-N 3.1Å
254	I	96	Very high	92.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-73.1	-42.5	178.9	-172.4	167.6	0	0	0	112.3	L83 Q84 F87 F251 R252 R256 S257 F258	L83-I254 HydrophobicContact CB-CD1 4.4Å; L83-I254 HydrophobicContact CD2-CD1 3.78Å; L83-I254 HydrophobicContact CG-CD1 3.55Å; Q84-I254 HydrophobicContact CB-CB 4.37Å; F87-I254 HydrophobicContact CB-CD1 4.43Å; F87-I254 HydrophobicContact CD1-CD1 4.16Å; F251-I254 HydrophobicContact CB-CG2 4.33Å; F251-I254 HydrophobicContact CD1-CG2 4.23Å; F251-I254 WeakPolarHBondContact O-CG2 3.34Å; F251-I254 PolarHBondContact O-N 3.18Å; F251-I254 VanDerWaalsContact O-N 3.15Å; R252-I254 VanDerWaalsContact C-N 3.34Å; R252-I254 PolarHBondContact O-N 3.14Å; I254-R256 VanDerWaalsContact C-N 3.32Å; I254-R256 PolarHBondContact O-N 3.39Å; I254-S257 WeakPolarHBondContact O-CB 3.25Å; I254-S257 PolarHBondContact O-N 2.8Å; I254-S257 PolarHBondContact O-OG 3.16Å; I254-F258 HydrophobicContact CD1-CE1 4.34Å; I254-F258 HydrophobicContact CD1-CZ 3.95Å; I254-F258 HydrophobicContact CG1-CE1 3.73Å; I254-F258 HydrophobicContact CG1-CE2 4.48Å; I254-F258 HydrophobicContact CG1-CZ 3.64Å; I254-F258 WeakPolarHBondContact O-CD1 3.38Å
255	L	96.6	Very high	94.3	Very high	9 Å²	9	28.6 Å²	28.6	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-64.9	-38.9	177.9	-59.9	173.5	0	0	0	111.5	D239 F241 F251 R252 S257 F258 I261	D239-L255 HydrophobicContact CB-CD1 4.01Å; D239-L255 VanDerWaalsContact N-CD1 3.34Å; F241-L255 HydrophobicContact CE2-CD2 4.44Å; F241-L255 HydrophobicContact CZ-CD2 3.92Å; F251-L255 HydrophobicContact CB-CD1 4.18Å; F251-L255 HydrophobicContact CB-CG 4.47Å; F251-L255 WeakPolarHBondContact O-CG 3.24Å; F251-L255 PolarHBondContact O-N 3.21Å; R252-L255 PolarHBondContact O-N 3.26Å; L255-S257 PolarHBondContact O-N 2.69Å; L255-F258 PolarHBondContact O-N 3.11Å; L255-I261 HydrophobicContact CB-CD1 4.01Å; L255-I261 HydrophobicContact CD2-CD1 3.43Å; L255-I261 VanDerWaalsContact CD2-CD1 3.43Å; L255-I261 HydrophobicContact CG-CD1 4.3Å
256	R	97.8	Very high	95.4	Very high	31 Å²	31	20 Å²	20	12%	0.117	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.3	172.3	-77.2	-175.7	176.7	-174.2	-5.6	113.4	F91 V235 R252 I254 I262 I297 F299	F91-R256 VanDerWaalsContact CE2-O 3.29Å; F91-R256 WeakPolarHBondContact CE2-O 3.26Å; V235-R256 PolarHBondContact O-NE 3.46Å; V235-R256 PolarHBondContact O-NH2 2.94Å; R252-R256 HydrophobicContact CG-CG 4.1Å; R252-R256 VanDerWaalsContact O-CB 3.27Å; R252-R256 WeakPolarHBondContact O-CB 2.99Å; R252-R256 WeakPolarHBondContact O-CG 3.49Å; R252-R256 PolarHBondContact O-N 3.18Å; I254-R256 VanDerWaalsContact C-N 3.32Å; I254-R256 PolarHBondContact O-N 3.39Å; R256-I262 WeakPolarHBondContact O-CD1 3.19Å; R256-I297 PolarHBondContact NH1-O 3.27Å; R256-I297 PolarHBondContact NH2-O 2.88Å; R256-F299 HydrophobicContact CB-CE1 3.9Å; R256-F299 HydrophobicContact CB-CE2 4.27Å; R256-F299 HydrophobicContact CB-CZ 3.76Å; R256-F299 HydrophobicContact CG-CD1 3.99Å; R256-F299 HydrophobicContact CG-CE1 3.74Å; R256-F299 HydrophobicContact CG-CZ 4.09Å; R256-F299 WeakPolarHBondContact O-CZ 3.49Å
257	S	97.8	Very high	96.1	Very high	6 Å²	6	17.8 Å²	17.8	4%	0.042	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-18.3	176.9	76.1	0	0	0	0	113.4	L89 F91 P253 I254 L255 S259	L89-S257 WeakPolarHBondContact CB-O 2.93Å; L89-S257 PolarHBondContact N-OG 2.78Å; L89-S257 WeakPolarHBondContact O-CB 3.44Å; F91-S257 VanDerWaalsContact CZ-O 3.31Å; F91-S257 WeakPolarHBondContact CZ-O 3.27Å; P253-S257 PolarHBondContact O-N 3.1Å; I254-S257 WeakPolarHBondContact O-CB 3.25Å; I254-S257 PolarHBondContact O-N 2.8Å; I254-S257 PolarHBondContact O-OG 3.16Å; L255-S257 PolarHBondContact O-N 2.69Å; S257-S259 PolarHBondContact O-N 2.98Å
258	F	98	Very high	96.4	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.013	9%	0.087	C	C	.	.			trans	-88.1	110.3	-176.9	-63.2	-1.4	0	0	0	110	F87 L89 F157 R158 I254 L255 S260 I261 I262	F87-F258 AromaticContact CD1-CZ 3.85Å; F87-F258 HydrophobicContact CD1-CZ 3.85Å; F87-F258 HydrophobicContact CE1-CE2 4.41Å; F87-F258 AromaticContact CE1-CZ 3.81Å; F87-F258 HydrophobicContact CE1-CZ 3.81Å; L89-F258 HydrophobicContact CD1-CD1 4.04Å; L89-F258 HydrophobicContact CG-CD1 4.42Å; F157-F258 HydrophobicContact CE2-CE2 4.35Å; R158-F258 HydrophobicContact CB-CB 4.37Å; R158-F258 HydrophobicContact CB-CD1 3.59Å; R158-F258 HydrophobicContact CB-CD2 4.15Å; R158-F258 HydrophobicContact CB-CE1 3.87Å; R158-F258 HydrophobicContact CB-CE2 4.4Å; R158-F258 HydrophobicContact CB-CG 3.77Å; R158-F258 HydrophobicContact CB-CZ 4.27Å; R158-F258 VanDerWaalsContact CD-CE1 3.41Å; R158-F258 HydrophobicContact CG-CD1 3.8Å; R158-F258 HydrophobicContact CG-CD2 4.02Å; R158-F258 HydrophobicContact CG-CE1 3.54Å; R158-F258 HydrophobicContact CG-CE2 3.77Å; R158-F258 HydrophobicContact CG-CG 4.06Å; R158-F258 HydrophobicContact CG-CZ 3.53Å; R158-F258 CarbonylContact O-C 3.54Å; R158-F258 VanDerWaalsContact O-CA 3.31Å; R158-F258 WeakPolarHBondContact O-CA 3.35Å; R158-F258 WeakPolarHBondContact O-CB 3.01Å; I254-F258 HydrophobicContact CD1-CE1 4.34Å; I254-F258 HydrophobicContact CD1-CZ 3.95Å; I254-F258 HydrophobicContact CG1-CE1 3.73Å; I254-F258 HydrophobicContact CG1-CE2 4.48Å; I254-F258 HydrophobicContact CG1-CZ 3.64Å; I254-F258 WeakPolarHBondContact O-CD1 3.38Å; L255-F258 PolarHBondContact O-N 3.11Å; F258-S260 PolarHBondContact O-N 3.11Å; F258-I261 HydrophobicContact CB-CB 4.19Å; F258-I261 HydrophobicContact CB-CD1 4.02Å; F258-I261 HydrophobicContact CB-CG1 3.86Å; F258-I261 HydrophobicContact CD2-CD1 3.67Å; F258-I261 HydrophobicContact CD2-CG1 4.17Å; F258-I261 HydrophobicContact CG-CD1 4.25Å; F258-I261 PolarHBondContact O-N 3.21Å; F258-I262 PolarHBondContact O-N 2.77Å; F258-I262 VanDerWaalsContact O-N 3.16Å
259	S	97.8	Very high	96.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.1	-31.4	173.6	55.3	0	0	0	0	111.5	R158 K159 L160 E163 S257 I261 I262 S263	R158-S259 PolarHBondContact O-N 3.33Å; R158-S259 PolarHBondContact O-OG 3.49Å; K159-S259 WeakPolarHBondContact CA-OG 3.32Å; L160-S259 PolarHBondContact N-OG 2.94Å; E163-S259 WeakPolarHBondContact OE2-CB 3.4Å; E163-S259 PolarHBondContact OE2-OG 2.9Å; S257-S259 PolarHBondContact O-N 2.98Å; S259-I261 PolarHBondContact O-N 3.31Å; S259-I262 PolarHBondContact O-N 3.2Å; S259-S263 WeakPolarHBondContact O-CB 3.38Å; S259-S263 PolarHBondContact O-N 2.81Å; S259-S263 PolarHBondContact O-OG 2.95Å
260	S	97.7	Very high	96.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.5	-35.5	174.7	60.1	0	0	0	0	114	L51 F157 R158 M194 F258 S263 T264	L51-S260 VanDerWaalsContact CD1-OG 3.23Å; L51-S260 WeakPolarHBondContact CD1-OG 3.26Å; F157-S260 WeakPolarHBondContact O-CB 3.38Å; F157-S260 PolarHBondContact O-OG 2.68Å; R158-S260 VanDerWaalsContact C-OG 3.22Å; R158-S260 WeakPolarHBondContact CA-OG 3.49Å; R158-S260 PolarHBondContact O-N 3.16Å; R158-S260 PolarHBondContact O-OG 3.44Å; R158-S260 VanDerWaalsContact O-OG 3.1Å; M194-S260 VanDerWaalsContact SD-CB 3.52Å; F258-S260 PolarHBondContact O-N 3.11Å; S260-S263 WeakPolarHBondContact CA-OG 3.44Å; S260-S263 PolarHBondContact O-OG 3.35Å; S260-T264 WeakPolarHBondContact O-CG2 3.1Å; S260-T264 PolarHBondContact O-OG1 2.96Å
261	I	97.8	Very high	97	Very high	13 Å²	13	18 Å²	18	7%	0.067	9%	0.088	C	C	.	.	H	α-helix	trans	-74	-44.6	174.3	-64.6	-177.2	0	0	0	110.1	L51 A231 V235 L255 F258 S259 S263 T264	L51-I261 HydrophobicContact CD1-CG1 3.6Å; L51-I261 HydrophobicContact CD2-CD1 4.5Å; L51-I261 HydrophobicContact CD2-CG1 4.26Å; A231-I261 HydrophobicContact CB-CG2 4.5Å; V235-I261 HydrophobicContact CG2-CG2 4.04Å; L255-I261 HydrophobicContact CB-CD1 4.01Å; L255-I261 HydrophobicContact CD2-CD1 3.43Å; L255-I261 VanDerWaalsContact CD2-CD1 3.43Å; L255-I261 HydrophobicContact CG-CD1 4.3Å; F258-I261 HydrophobicContact CB-CB 4.19Å; F258-I261 HydrophobicContact CB-CD1 4.02Å; F258-I261 HydrophobicContact CB-CG1 3.86Å; F258-I261 HydrophobicContact CD2-CD1 3.67Å; F258-I261 HydrophobicContact CD2-CG1 4.17Å; F258-I261 HydrophobicContact CG-CD1 4.25Å; F258-I261 PolarHBondContact O-N 3.21Å; S259-I261 PolarHBondContact O-N 3.31Å; I261-S263 VanDerWaalsContact C-N 3.28Å; I261-S263 PolarHBondContact O-N 2.91Å; I261-T264 PolarHBondContact O-N 3.41Å; I261-T264 PolarHBondContact O-OG1 3.07Å
262	I	98	Very high	97.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60	-40.5	-179.8	-66.4	168.8	0	0	0	111.1	F91 V235 R256 F258 S259 T264 I265 F299 G302 V305 Y306	F91-I262 HydrophobicContact CE2-CD1 3.82Å; F91-I262 HydrophobicContact CZ-CD1 3.64Å; V235-I262 HydrophobicContact CG2-CG1 4.4Å; R256-I262 WeakPolarHBondContact O-CD1 3.19Å; F258-I262 PolarHBondContact O-N 2.77Å; F258-I262 VanDerWaalsContact O-N 3.16Å; S259-I262 PolarHBondContact O-N 3.2Å; I262-T264 VanDerWaalsContact C-N 3.31Å; I262-T264 PolarHBondContact O-N 3.41Å; I262-I265 WeakPolarHBondContact O-CG1 3.24Å; I262-F299 HydrophobicContact CD1-CE1 3.9Å; I262-F299 HydrophobicContact CD1-CZ 3.89Å; I262-F299 HydrophobicContact CG1-CE1 4.35Å; I262-G302 VanDerWaalsContact CG2-O 3.26Å; I262-G302 WeakPolarHBondContact CG2-O 3.48Å; I262-V305 HydrophobicContact CB-CG1 4.32Å; I262-V305 HydrophobicContact CD1-CB 4.34Å; I262-V305 HydrophobicContact CD1-CG1 4.03Å; I262-V305 HydrophobicContact CG2-CB 4.25Å; I262-V305 HydrophobicContact CG2-CG1 4.04Å; I262-Y306 WeakPolarHBondContact O-CD2 3.47Å
263	S	96.3	Very high	97.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-72.9	-18.3	-179.2	60	0	0	0	0	115.1	L160 S259 S260 I261 A309	L160-S263 WeakPolarHBondContact CD2-OG 3.35Å; S259-S263 WeakPolarHBondContact O-CB 3.38Å; S259-S263 PolarHBondContact O-N 2.81Å; S259-S263 PolarHBondContact O-OG 2.95Å; S260-S263 WeakPolarHBondContact CA-OG 3.44Å; S260-S263 PolarHBondContact O-OG 3.35Å; I261-S263 VanDerWaalsContact C-N 3.28Å; I261-S263 PolarHBondContact O-N 2.91Å; S263-A309 VanDerWaalsContact CB-CB 3.45Å
264	T	96.4	Very high	97.1	Very high	15 Å²	15	25.9 Å²	25.9	9%	0.092	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	16.7	-176.1	51.1	0	0	0	0	113	M194 P224 G227 A228 A231 S260 I261 I262	M194-T264 HydrophobicContact SD-CG2 4.43Å; P224-T264 HydrophobicContact CG-CG2 4.44Å; G227-T264 CarbonylContact C-O 3.57Å; G227-T264 WeakPolarHBondContact CA-O 3.45Å; A228-T264 PolarHBondContact N-O 3.17Å; A231-T264 WeakPolarHBondContact CB-O 3.36Å; S260-T264 WeakPolarHBondContact O-CG2 3.1Å; S260-T264 PolarHBondContact O-OG1 2.96Å; I261-T264 PolarHBondContact O-N 3.41Å; I261-T264 PolarHBondContact O-OG1 3.07Å; I262-T264 VanDerWaalsContact C-N 3.31Å; I262-T264 PolarHBondContact O-N 3.41Å
265	I	98.1	Very high	97.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.145	C	C	.	.	S	Bend	trans	-72.2	161	166.2	70	-178	0	0	0	110.8	G227 A231 L232 V235 I262 D267 Y290 F294 Y306	G227-I265 WeakPolarHBondContact CA-O 3.5Å; A231-I265 HydrophobicContact CB-CG2 4.11Å; L232-I265 HydrophobicContact CB-CG2 4.33Å; L232-I265 HydrophobicContact CD1-CB 4.24Å; L232-I265 HydrophobicContact CD1-CD1 4.44Å; L232-I265 HydrophobicContact CD1-CG2 4.08Å; V235-I265 HydrophobicContact CG2-CG2 4.19Å; I262-I265 WeakPolarHBondContact O-CG1 3.24Å; I265-D267 PolarHBondContact O-N 3.23Å; I265-Y290 HydrophobicContact CD1-CD2 4.03Å; I265-Y290 HydrophobicContact CD1-CE1 4.23Å; I265-Y290 HydrophobicContact CD1-CE2 3.56Å; I265-Y290 HydrophobicContact CG1-CE2 3.86Å; I265-F294 HydrophobicContact CD1-CE2 3.84Å; I265-F294 HydrophobicContact CD1-CZ 3.82Å; I265-Y306 HydrophobicContact CD1-CD2 3.58Å; I265-Y306 HydrophobicContact CD1-CE2 3.8Å; I265-Y306 HydrophobicContact CD1-CG 4Å; I265-Y306 HydrophobicContact CG1-CD2 3.61Å; I265-Y306 HydrophobicContact CG1-CE2 3.44Å; I265-Y306 VanDerWaalsContact CG1-CE2 3.44Å; I265-Y306 HydrophobicContact CG1-CG 4.5Å
266	P	98.1	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-48.5	124.1	-179.1	-33.3	40.3	0	0	0	114.3	G226 A228 V229 W271 I277 A287 Y290	G226-P266 CarbonylContact O-C 3.52Å; G226-P266 VanDerWaalsContact O-CA 3.3Å; G226-P266 WeakPolarHBondContact O-CA 3.23Å; A228-P266 WeakPolarHBondContact O-CD 3.45Å; V229-P266 HydrophobicContact CG2-CG 3.98Å; P266-W271 HydrophobicContact CB-CD2 3.65Å; P266-W271 HydrophobicContact CB-CE3 4.23Å; P266-W271 HydrophobicContact CB-CG 3.8Å; P266-W271 HydrophobicContact CB-CZ2 4.12Å; P266-W271 HydrophobicContact CG-CD2 4.42Å; P266-W271 HydrophobicContact CG-CH2 4.46Å; P266-W271 HydrophobicContact CG-CZ2 4.13Å; P266-I277 HydrophobicContact CB-CD1 3.67Å; P266-I277 HydrophobicContact CG-CD1 3.91Å; P266-A287 HydrophobicContact CB-CB 4.28Å; P266-Y290 WeakPolarHBondContact CB-OH 3.44Å; P266-Y290 VanDerWaalsContact CD-OH 3.32Å; P266-Y290 WeakPolarHBondContact CD-OH 3.45Å; P266-Y290 WeakPolarHBondContact O-CE2 3.35Å; P266-Y290 VanDerWaalsContact O-CZ 3.26Å; P266-Y290 PolarHBondContact O-OH 2.98Å
267	D	96.8	Very high	97.3	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.011	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-85.7	120.7	-176.6	-171.2	-31.2	0	0	0	111.5	G226 I265 R269 I270 W271	G226-D267 PolarHBondContact O-N 3.41Å; I265-D267 PolarHBondContact O-N 3.23Å; D267-R269 PolarHBondContact O-N 3.15Å; D267-R269 VanDerWaalsContact OD1-CB 3.23Å; D267-R269 WeakPolarHBondContact OD1-CB 3.43Å; D267-R269 VanDerWaalsContact OD1-CG 3.28Å; D267-R269 WeakPolarHBondContact OD1-CG 3.43Å; D267-R269 PolarHBondContact OD1-N 3.39Å; D267-R269 IonicContact OD1-NE 3.1Å; D267-R269 PolarHBondContact OD1-NE 3.47Å; D267-R269 IonicContact OD2-CZ 2.61Å; D267-R269 IonicContact OD2-NE 3.62Å; D267-R269 PolarHBondContact OD2-NE 3.33Å; D267-R269 IonicContact OD2-NH2 2.94Å; D267-R269 PolarHBondContact OD2-NH2 3.47Å; D267-I270 PolarHBondContact O-N 3.14Å; D267-W271 VanDerWaalsContact O-CD1 3.23Å; D267-W271 PolarHBondContact O-N 3.18Å
268	P	96.8	Very high	97.3	Very high	39 Å²	39	26.2 Å²	26.2	25%	0.253	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.5	-178.9	28.2	-34.5	0	0	0	113.9	I270 A287 H288 Y306	P268-I270 VanDerWaalsContact C-N 3.28Å; P268-A287 HydrophobicContact CB-CB 4.13Å; P268-H288 PolarHBondContact O-CE1 3.08Å; P268-H288 PolarHBondContact O-NE2 2.99Å; P268-H288 VanDerWaalsContact O-NE2 3.15Å; P268-Y306 WeakPolarHBondContact CD-OH 3.43Å
269	R	95.5	Very high	97.3	Very high	116 Å²	116	27.7 Å²	27.7	44%	0.438	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-20	170.7	-59.9	175.7	-68	-179.1	2.4	112.8	D267 M314 L316	D267-R269 PolarHBondContact O-N 3.15Å; D267-R269 VanDerWaalsContact OD1-CB 3.23Å; D267-R269 WeakPolarHBondContact OD1-CB 3.43Å; D267-R269 VanDerWaalsContact OD1-CG 3.28Å; D267-R269 WeakPolarHBondContact OD1-CG 3.43Å; D267-R269 PolarHBondContact OD1-N 3.39Å; D267-R269 IonicContact OD1-NE 3.1Å; D267-R269 PolarHBondContact OD1-NE 3.47Å; D267-R269 IonicContact OD2-CZ 2.61Å; D267-R269 IonicContact OD2-NE 3.62Å; D267-R269 PolarHBondContact OD2-NE 3.33Å; D267-R269 IonicContact OD2-NH2 2.94Å; D267-R269 PolarHBondContact OD2-NH2 3.47Å; R269-M314 PolarHBondContact NH1-O 3.47Å; R269-M314 VanDerWaalsContact NH1-O 3.08Å; R269-M314 VanDerWaalsContact NH2-CB 3.34Å; R269-M314 PolarHBondContact NH2-O 3.24Å; R269-L316 HydrophobicContact CB-CD1 3.77Å
270	I	95.8	Very high	97.3	Very high	30 Å²	30	28.2 Å²	28.2	15%	0.154	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-40.2	179.1	-71.5	168.4	0	0	0	111	D267 P268 L316 H374	D267-I270 PolarHBondContact O-N 3.14Å; P268-I270 VanDerWaalsContact C-N 3.28Å; I270-L316 HydrophobicContact CD1-CD1 3.94Å; I270-L316 HydrophobicContact CD1-CD2 3.54Å; I270-L316 HydrophobicContact CD1-CG 4.4Å; I270-L316 HydrophobicContact CG1-CD1 3.89Å; I270-L316 HydrophobicContact CG1-CD2 4.41Å; I270-H374 HydrophobicContact CD1-CB 4.31Å; I270-H374 WeakPolarHBondContact CD1-ND1 3.31Å
271	W	97.3	Very high	97.2	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.011	18%	0.176	C	C	.	.	S	Bend	trans	-84.7	125.9	-175.4	-69.8	72.3	0	0	0	111	G226 V229 P266 D267 I277 A287 H288 N368 Q370	G226-W271 PolarHBondContact O-NE1 2.83Å; V229-W271 HydrophobicContact CG2-CH2 3.47Å; V229-W271 VanDerWaalsContact CG2-CH2 3.47Å; V229-W271 HydrophobicContact CG2-CZ2 4.23Å; V229-W271 HydrophobicContact CG2-CZ3 3.9Å; P266-W271 HydrophobicContact CB-CD2 3.65Å; P266-W271 HydrophobicContact CB-CE3 4.23Å; P266-W271 HydrophobicContact CB-CG 3.8Å; P266-W271 HydrophobicContact CB-CZ2 4.12Å; P266-W271 HydrophobicContact CG-CD2 4.42Å; P266-W271 HydrophobicContact CG-CH2 4.46Å; P266-W271 HydrophobicContact CG-CZ2 4.13Å; D267-W271 VanDerWaalsContact O-CD1 3.23Å; D267-W271 PolarHBondContact O-N 3.18Å; W271-I277 HydrophobicContact CD2-CD1 4.26Å; W271-I277 HydrophobicContact CE3-CD1 3.68Å; W271-I277 HydrophobicContact CE3-CG1 4.16Å; W271-I277 HydrophobicContact CZ3-CD1 4.12Å; W271-I277 HydrophobicContact CZ3-CG1 4.3Å; W271-A287 HydrophobicContact CB-CB 3.85Å; W271-H288 PolarHBondContact O-NE2 3.15Å; W271-N368 HydrophobicContact CH2-CB 3.76Å; W271-N368 VanDerWaalsContact CH2-CG 3.48Å; W271-N368 HydrophobicContact CZ2-CB 3.84Å; W271-Q370 VanDerWaalsContact CD2-NE2 3.32Å; W271-Q370 HydrophobicContact CH2-CG 4.44Å; W271-Q370 HydrophobicContact CZ2-CG 4.13Å
272	P	96.3	Very high	97.1	Very high	56 Å²	56	37.9 Å²	37.9	36%	0.364	21%	0.212	S	C	.	.			trans	-59.1	154.4	179.8	-24.9	35	0	0	0	113.5	D274 D275	P272-D274 VanDerWaalsContact C-N 3.28Å; P272-D274 WeakPolarHBondContact CB-OD1 3.34Å; P272-D274 PolarHBondContact O-N 2.94Å; P272-D275 HydrophobicContact CB-CB 4.28Å; P272-D275 PolarHBondContact O-N 3.48Å
273	S	97	Very high	97	Very high	83 Å²	83	41.8 Å²	41.8	58%	0.58	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.9	-179	54.5	0	0	0	0	114.1	T286 H288	S273-T286 WeakPolarHBondContact O-CG2 3.11Å; S273-T286 PolarHBondContact O-OG1 3.44Å; S273-H288 VanDerWaalsContact CA-CD2 3.42Å; S273-H288 WeakPolarHBondContact CA-CD2 3.26Å
274	D	97.3	Very high	97.1	Very high	132 Å²	132	45.7 Å²	45.7	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-6.7	177	62.5	-36.7	0	0	0	113.6	P272 V276	P272-D274 VanDerWaalsContact C-N 3.28Å; P272-D274 WeakPolarHBondContact CB-OD1 3.34Å; P272-D274 PolarHBondContact O-N 2.94Å; D274-V276 PolarHBondContact O-N 3.04Å; D274-V276 VanDerWaalsContact O-N 3.12Å
275	D	97.3	Very high	97.2	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.144	25%	0.247	C	C	.	.			trans	-78.7	98	177.3	-167.3	16.2	0	0	0	111.1	P272 I277 T286	P272-D275 HydrophobicContact CB-CB 4.28Å; P272-D275 PolarHBondContact O-N 3.48Å; D275-I277 PolarHBondContact O-N 2.65Å; D275-T286 WeakPolarHBondContact O-CB 3.31Å; D275-T286 WeakPolarHBondContact O-CG2 3.36Å
276	V	98.3	Very high	97.2	Very high	27 Å²	27	45.8 Å²	45.8	16%	0.164	25%	0.249	C	C	.	.			trans	-69.8	116.7	177	178.2	0	0	0	0	110.2	D274 I278 N284 T286 R338	D274-V276 PolarHBondContact O-N 3.04Å; D274-V276 VanDerWaalsContact O-N 3.12Å; V276-I278 WeakPolarHBondContact CG1-O 3.23Å; V276-N284 HydrophobicContact CG1-CB 3.82Å; V276-N284 HydrophobicContact CG2-CB 4.14Å; V276-T286 HydrophobicContact CG2-CG2 4.35Å; V276-R338 VanDerWaalsContact O-CZ 3.32Å; V276-R338 PolarHBondContact O-NE 3.17Å; V276-R338 PolarHBondContact O-NH2 3.35Å; V276-R338 VanDerWaalsContact O-NH2 3.09Å
277	I	98.3	Very high	97.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.25	C	C	.	.			trans	-100.5	-28.8	-179.9	-53.8	175.9	0	0	0	110.7	V229 L232 P266 W271 D275 Y285 A287 R338 L339	V229-I277 HydrophobicContact CB-CG2 4.31Å; V229-I277 HydrophobicContact CG1-CG2 3.65Å; V229-I277 HydrophobicContact CG2-CG2 3.81Å; L232-I277 HydrophobicContact CD2-CG2 3.67Å; P266-I277 HydrophobicContact CB-CD1 3.67Å; P266-I277 HydrophobicContact CG-CD1 3.91Å; W271-I277 HydrophobicContact CD2-CD1 4.26Å; W271-I277 HydrophobicContact CE3-CD1 3.68Å; W271-I277 HydrophobicContact CE3-CG1 4.16Å; W271-I277 HydrophobicContact CZ3-CD1 4.12Å; W271-I277 HydrophobicContact CZ3-CG1 4.3Å; D275-I277 PolarHBondContact O-N 2.65Å; I277-Y285 PolarHBondContact N-O 3.1Å; I277-A287 HydrophobicContact CD1-CB 4.02Å; I277-R338 CarbonylContact O-C 3.5Å; I277-R338 VanDerWaalsContact O-CA 3.24Å; I277-R338 WeakPolarHBondContact O-CA 3.38Å; I277-R338 WeakPolarHBondContact O-CG 3.36Å; I277-L339 PolarHBondContact O-N 3.17Å
278	I	98.6	Very high	97.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.5	178.8	-56.5	154	0	0	0	109.4	L232 I236 V276 T280 N284 Y285 L293 L339 Y341 F351	L232-I278 HydrophobicContact CD2-CD1 3.65Å; L232-I278 HydrophobicContact CD2-CG1 4.05Å; L232-I278 HydrophobicContact CG-CD1 4.18Å; I236-I278 HydrophobicContact CD1-CD1 3.31Å; I236-I278 HydrophobicContact CD1-CG1 4.08Å; V276-I278 WeakPolarHBondContact CG1-O 3.23Å; I278-T280 HydrophobicContact CG2-CG2 3.95Å; I278-N284 CarbonylContact O-C 3.11Å; I278-N284 WeakPolarHBondContact O-CA 3.24Å; I278-Y285 HydrophobicContact CB-CD2 4.16Å; I278-Y285 HydrophobicContact CG2-CD2 4.09Å; I278-Y285 PolarHBondContact N-O 2.73Å; I278-Y285 PolarHBondContact O-N 3.26Å; I278-L293 HydrophobicContact CD1-CD1 3.64Å; I278-L293 HydrophobicContact CD1-CD2 3.44Å; I278-L293 VanDerWaalsContact CD1-CD2 3.44Å; I278-L293 HydrophobicContact CD1-CG 4.19Å; I278-L339 WeakPolarHBondContact CA-O 3.47Å; I278-L339 HydrophobicContact CG1-CB 4.35Å; I278-L339 HydrophobicContact CG1-CD1 4.38Å; I278-Y341 HydrophobicContact CG2-CD2 3.75Å; I278-Y341 HydrophobicContact CG2-CE2 3.73Å; I278-F351 HydrophobicContact CG2-CE2 4.38Å
279	T	98.4	Very high	97.3	Very high	35 Å²	35	50.5 Å²	50.5	22%	0.215	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.5	170.4	-66.2	0	0	0	0	108.8	N284 L339 I340 Y341	T279-N284 VanDerWaalsContact CA-OD1 3.32Å; T279-N284 WeakPolarHBondContact CA-OD1 3.47Å; T279-N284 WeakPolarHBondContact CB-OD1 3.39Å; T279-N284 WeakPolarHBondContact CG2-OD1 3.14Å; T279-N284 PolarHBondContact OG1-OD1 3.25Å; T279-L339 PolarHBondContact N-O 2.89Å; T279-I340 HydrophobicContact CG2-CG2 4.4Å; T279-Y341 PolarHBondContact O-N 3.42Å
280	T	97.9	Very high	97.4	Very high	11 Å²	11	45.2 Å²	45.2	7%	0.067	25%	0.249	C	C	.	.			trans	-116.3	170.2	170.3	80.9	0	0	0	0	109.5	I278 D282 K283 Y285 Y341 F351	I278-T280 HydrophobicContact CG2-CG2 3.95Å; T280-D282 PolarHBondContact O-N 2.99Å; T280-D282 PolarHBondContact OG1-N 2.96Å; T280-K283 PolarHBondContact N-O 3.44Å; T280-K283 PolarHBondContact OG1-N 2.78Å; T280-K283 PolarHBondContact OG1-O 3.33Å; T280-Y285 HydrophobicContact CG2-CD2 4.29Å; T280-Y285 HydrophobicContact CG2-CE2 3.77Å; T280-Y341 HydrophobicContact CG2-CD2 4.3Å; T280-F351 HydrophobicContact CG2-CD1 4.05Å; T280-F351 HydrophobicContact CG2-CD2 3.73Å; T280-F351 HydrophobicContact CG2-CE1 4.1Å; T280-F351 HydrophobicContact CG2-CE2 3.79Å; T280-F351 HydrophobicContact CG2-CG 3.86Å; T280-F351 HydrophobicContact CG2-CZ 3.96Å
281	P	95.6	Very high	97.5	Very high	62 Å²	62	47 Å²	47	40%	0.403	26%	0.263	S	S	.	.	S	Bend	trans	-56.4	-35.2	174.6	-26.9	37.4	0	0	0	113.5	P343	P281-P343 HydrophobicContact CB-CG 4.18Å; P281-P343 HydrophobicContact CG-CB 4.24Å; P281-P343 HydrophobicContact CG-CG 3.99Å
282	D	94.1	Very high	97.6	Very high	154 Å²	154	48.4 Å²	48.4	82%	0.824	27%	0.273	S	S	*	.	S	Bend	trans	-101.2	-26.1	-170.6	-49.6	-58.7	0	0	0	112.7	T280	T280-D282 PolarHBondContact O-N 2.99Å; T280-D282 PolarHBondContact OG1-N 2.96Å
283	K	96.5	Very high	97.7	Very high	82 Å²	82	45.7 Å²	45.7	36%	0.357	26%	0.256	S	S	.	.			trans	-157.6	148.2	-170.8	-170.8	170.7	173.8	-170.1	0	114	T280 Y285 S292	T280-K283 PolarHBondContact N-O 3.44Å; T280-K283 PolarHBondContact OG1-N 2.78Å; T280-K283 PolarHBondContact OG1-O 3.33Å; K283-Y285 HydrophobicContact CB-CE2 4.06Å; K283-Y285 HydrophobicContact CD-CE1 3.86Å; K283-Y285 HydrophobicContact CD-CE2 4.45Å; K283-Y285 HydrophobicContact CG-CE1 4.36Å; K283-Y285 HydrophobicContact CG-CE2 4.18Å; K283-S292 PolarHBondContact NZ-OG 3.35Å
284	N	98.2	Very high	97.8	Very high	82 Å²	82	41.8 Å²	41.8	44%	0.439	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.8	166.5	-72.7	-36.3	0	0	0	110.7	V276 I278 T279	V276-N284 HydrophobicContact CG1-CB 3.82Å; V276-N284 HydrophobicContact CG2-CB 4.14Å; I278-N284 CarbonylContact O-C 3.11Å; I278-N284 WeakPolarHBondContact O-CA 3.24Å; T279-N284 VanDerWaalsContact CA-OD1 3.32Å; T279-N284 WeakPolarHBondContact CA-OD1 3.47Å; T279-N284 WeakPolarHBondContact CB-OD1 3.39Å; T279-N284 WeakPolarHBondContact CG2-OD1 3.14Å; T279-N284 PolarHBondContact OG1-OD1 3.25Å
285	Y	98.6	Very high	97.8	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.035	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.6	175.6	-52.5	-99.6	0	0	0	111	I277 I278 T280 K283 N289 L293 D296	I277-Y285 PolarHBondContact N-O 3.1Å; I278-Y285 HydrophobicContact CB-CD2 4.16Å; I278-Y285 HydrophobicContact CG2-CD2 4.09Å; I278-Y285 PolarHBondContact N-O 2.73Å; I278-Y285 PolarHBondContact O-N 3.26Å; T280-Y285 HydrophobicContact CG2-CD2 4.29Å; T280-Y285 HydrophobicContact CG2-CE2 3.77Å; K283-Y285 HydrophobicContact CB-CE2 4.06Å; K283-Y285 HydrophobicContact CD-CE1 3.86Å; K283-Y285 HydrophobicContact CD-CE2 4.45Å; K283-Y285 HydrophobicContact CG-CE1 4.36Å; K283-Y285 HydrophobicContact CG-CE2 4.18Å; Y285-N289 WeakPolarHBondContact CA-OD1 3.45Å; Y285-N289 HydrophobicContact CD1-CB 3.94Å; Y285-L293 HydrophobicContact CD1-CB 3.65Å; Y285-L293 HydrophobicContact CD1-CD1 4.03Å; Y285-L293 HydrophobicContact CD1-CG 4.4Å; Y285-L293 HydrophobicContact CD2-CD1 4.12Å; Y285-L293 HydrophobicContact CE1-CB 3.99Å; Y285-L293 HydrophobicContact CE1-CD1 4.22Å; Y285-L293 HydrophobicContact CE2-CD1 4.33Å; Y285-L293 HydrophobicContact CG-CB 4.28Å; Y285-L293 HydrophobicContact CG-CD1 3.97Å; Y285-D296 WeakPolarHBondContact CE1-OD2 3.16Å; Y285-D296 VanDerWaalsContact CZ-OD2 3.31Å; Y285-D296 PolarHBondContact OH-OD2 2.71Å
286	T	98.5	Very high	97.8	Very high	10 Å²	10	43.6 Å²	43.6	6%	0.061	23%	0.234	C	C	.	.			trans	-103.3	177.1	164.9	76	0	0	0	0	110.1	S273 D275 V276 H288 N289	S273-T286 WeakPolarHBondContact O-CG2 3.11Å; S273-T286 PolarHBondContact O-OG1 3.44Å; D275-T286 WeakPolarHBondContact O-CB 3.31Å; D275-T286 WeakPolarHBondContact O-CG2 3.36Å; V276-T286 HydrophobicContact CG2-CG2 4.35Å; T286-H288 PolarHBondContact O-N 3.36Å; T286-H288 PolarHBondContact OG1-N 3.04Å; T286-N289 PolarHBondContact N-OD1 3.06Å; T286-N289 PolarHBondContact O-N 3.17Å; T286-N289 PolarHBondContact OG1-OD1 3.18Å
287	A	97.9	Very high	97.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-57	-21.3	172.9	0	0	0	0	0	112.9	P266 P268 W271 I277 N289 Y290	P266-A287 HydrophobicContact CB-CB 4.28Å; P268-A287 HydrophobicContact CB-CB 4.13Å; W271-A287 HydrophobicContact CB-CB 3.85Å; I277-A287 HydrophobicContact CD1-CB 4.02Å; A287-N289 VanDerWaalsContact C-N 3.34Å; A287-Y290 HydrophobicContact CB-CE2 4.37Å; A287-Y290 VanDerWaalsContact O-CD2 3.24Å; A287-Y290 WeakPolarHBondContact O-CD2 3.22Å; A287-Y290 WeakPolarHBondContact O-CE2 3.37Å
288	H	98.1	Very high	97.8	Very high	86 Å²	86	45.4 Å²	45.4	40%	0.398	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-84.3	-6.7	179.2	-64.6	-101.5	0	0	0	113.2	P268 W271 S273 T286	P268-H288 PolarHBondContact O-CE1 3.08Å; P268-H288 PolarHBondContact O-NE2 2.99Å; P268-H288 VanDerWaalsContact O-NE2 3.15Å; W271-H288 PolarHBondContact O-NE2 3.15Å; S273-H288 VanDerWaalsContact CA-CD2 3.42Å; S273-H288 WeakPolarHBondContact CA-CD2 3.26Å; T286-H288 PolarHBondContact O-N 3.36Å; T286-H288 PolarHBondContact OG1-N 3.04Å
289	N	98.1	Very high	97.7	Very high	53 Å²	53	46.4 Å²	46.4	28%	0.283	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-102.5	13.9	-179.5	-55.4	135.2	0	0	0	114.2	Y285 T286 A287 P291 S292 L293	Y285-N289 WeakPolarHBondContact CA-OD1 3.45Å; Y285-N289 HydrophobicContact CD1-CB 3.94Å; T286-N289 PolarHBondContact N-OD1 3.06Å; T286-N289 PolarHBondContact O-N 3.17Å; T286-N289 PolarHBondContact OG1-OD1 3.18Å; A287-N289 VanDerWaalsContact C-N 3.34Å; N289-P291 VanDerWaalsContact C-CD 3.46Å; N289-S292 PolarHBondContact O-N 3.1Å; N289-S292 VanDerWaalsContact O-N 3.12Å; N289-S292 PolarHBondContact O-OG 2.82Å; N289-L293 PolarHBondContact O-N 3.18Å
290	Y	98.2	Very high	97.7	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-53.1	-41.4	-178	-70.4	-19.2	0	0	0	116.3	L232 I265 P266 A287 S292 L293 F294 Y306	L232-Y290 HydrophobicContact CD1-CE1 4.24Å; L232-Y290 HydrophobicContact CD2-CE1 4.47Å; I265-Y290 HydrophobicContact CD1-CD2 4.03Å; I265-Y290 HydrophobicContact CD1-CE1 4.23Å; I265-Y290 HydrophobicContact CD1-CE2 3.56Å; I265-Y290 HydrophobicContact CG1-CE2 3.86Å; P266-Y290 WeakPolarHBondContact CB-OH 3.44Å; P266-Y290 VanDerWaalsContact CD-OH 3.32Å; P266-Y290 WeakPolarHBondContact CD-OH 3.45Å; P266-Y290 WeakPolarHBondContact O-CE2 3.35Å; P266-Y290 VanDerWaalsContact O-CZ 3.26Å; P266-Y290 PolarHBondContact O-OH 2.98Å; A287-Y290 HydrophobicContact CB-CE2 4.37Å; A287-Y290 VanDerWaalsContact O-CD2 3.24Å; A287-Y290 WeakPolarHBondContact O-CD2 3.22Å; A287-Y290 WeakPolarHBondContact O-CE2 3.37Å; Y290-S292 VanDerWaalsContact C-N 3.29Å; Y290-S292 PolarHBondContact O-N 2.69Å; Y290-L293 HydrophobicContact CD1-CD2 3.82Å; Y290-L293 HydrophobicContact CE1-CD2 4.11Å; Y290-L293 PolarHBondContact O-N 3Å; Y290-F294 HydrophobicContact CD1-CE2 4.35Å; Y290-F294 HydrophobicContact CG-CD2 4.5Å; Y290-F294 HydrophobicContact CG-CE2 4.21Å; Y290-F294 WeakPolarHBondContact O-CB 3.42Å; Y290-F294 VanDerWaalsContact O-CD2 3.31Å; Y290-F294 WeakPolarHBondContact O-CD2 3.23Å; Y290-F294 PolarHBondContact O-N 3.28Å; Y290-Y306 HydrophobicContact CD2-CD1 4.09Å; Y290-Y306 AromaticContact CD2-CE1 3.63Å; Y290-Y306 HydrophobicContact CD2-CE1 3.63Å; Y290-Y306 AromaticContact CD2-CZ 4Å; Y290-Y306 AromaticContact CE2-CE1 3.94Å; Y290-Y306 HydrophobicContact CE2-CE1 3.94Å; Y290-Y306 HydrophobicContact CE2-CE2 4.35Å; Y290-Y306 AromaticContact CE2-CZ 3.79Å
291	P	98.1	Very high	97.6	Very high	67 Å²	67	49.8 Å²	49.8	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-52.9	-48.2	175.4	-20.5	24.9	0	0	0	112.5	N289 Q295 Y303	N289-P291 VanDerWaalsContact C-CD 3.46Å; P291-Q295 PolarHBondContact O-N 3.46Å; P291-Y303 HydrophobicContact CB-CD1 4.35Å; P291-Y303 HydrophobicContact CB-CE1 3.91Å; P291-Y303 HydrophobicContact CG-CE1 3.7Å; P291-Y303 HydrophobicContact CG-CE2 4.22Å; P291-Y303 WeakPolarHBondContact CG-OH 3.48Å
292	S	98	Very high	97.7	Very high	33 Å²	33	46.8 Å²	46.8	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-70.9	-43.3	178.1	60.7	0	0	0	0	112.3	K283 N289 Y290 F294 Q295 D296	K283-S292 PolarHBondContact NZ-OG 3.35Å; N289-S292 PolarHBondContact O-N 3.1Å; N289-S292 VanDerWaalsContact O-N 3.12Å; N289-S292 PolarHBondContact O-OG 2.82Å; Y290-S292 VanDerWaalsContact C-N 3.29Å; Y290-S292 PolarHBondContact O-N 2.69Å; S292-F294 PolarHBondContact O-N 2.75Å; S292-Q295 WeakPolarHBondContact O-CB 3.47Å; S292-Q295 PolarHBondContact O-N 2.76Å; S292-D296 WeakPolarHBondContact O-CB 3.49Å; S292-D296 PolarHBondContact O-N 2.69Å; S292-D296 VanDerWaalsContact O-OD2 3.1Å
293	L	98.5	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-49.3	179.2	175.8	64.3	0	0	0	111.8	L232 I236 I278 Y285 N289 Y290 Q295 D296 I297 F351	L232-L293 HydrophobicContact CD1-CD2 4.08Å; I236-L293 HydrophobicContact CD1-CD1 4.14Å; I236-L293 HydrophobicContact CD1-CD2 4.2Å; I278-L293 HydrophobicContact CD1-CD1 3.64Å; I278-L293 HydrophobicContact CD1-CD2 3.44Å; I278-L293 VanDerWaalsContact CD1-CD2 3.44Å; I278-L293 HydrophobicContact CD1-CG 4.19Å; Y285-L293 HydrophobicContact CD1-CB 3.65Å; Y285-L293 HydrophobicContact CD1-CD1 4.03Å; Y285-L293 HydrophobicContact CD1-CG 4.4Å; Y285-L293 HydrophobicContact CD2-CD1 4.12Å; Y285-L293 HydrophobicContact CE1-CB 3.99Å; Y285-L293 HydrophobicContact CE1-CD1 4.22Å; Y285-L293 HydrophobicContact CE2-CD1 4.33Å; Y285-L293 HydrophobicContact CG-CB 4.28Å; Y285-L293 HydrophobicContact CG-CD1 3.97Å; N289-L293 PolarHBondContact O-N 3.18Å; Y290-L293 HydrophobicContact CD1-CD2 3.82Å; Y290-L293 HydrophobicContact CE1-CD2 4.11Å; Y290-L293 PolarHBondContact O-N 3Å; L293-Q295 VanDerWaalsContact C-N 3.28Å; L293-Q295 PolarHBondContact O-N 3.21Å; L293-D296 PolarHBondContact O-N 3.47Å; L293-I297 HydrophobicContact CD1-CG2 3.99Å; L293-I297 WeakPolarHBondContact O-CG1 3.41Å; L293-I297 WeakPolarHBondContact O-CG2 3.48Å; L293-I297 PolarHBondContact O-N 3.31Å; L293-F351 HydrophobicContact CD1-CZ 3.98Å
294	F	98.5	Very high	98	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-68.4	-29.2	-177.6	-84.3	-90.6	0	0	0	112.5	V235 I265 Y290 S292 I297 F299 Y303	V235-F294 HydrophobicContact CG1-CE1 3.82Å; V235-F294 HydrophobicContact CG1-CZ 4.15Å; I265-F294 HydrophobicContact CD1-CE2 3.84Å; I265-F294 HydrophobicContact CD1-CZ 3.82Å; Y290-F294 HydrophobicContact CD1-CE2 4.35Å; Y290-F294 HydrophobicContact CG-CD2 4.5Å; Y290-F294 HydrophobicContact CG-CE2 4.21Å; Y290-F294 WeakPolarHBondContact O-CB 3.42Å; Y290-F294 VanDerWaalsContact O-CD2 3.31Å; Y290-F294 WeakPolarHBondContact O-CD2 3.23Å; Y290-F294 PolarHBondContact O-N 3.28Å; S292-F294 PolarHBondContact O-N 2.75Å; F294-I297 HydrophobicContact CD1-CD1 4.18Å; F294-F299 HydrophobicContact CD1-CB 4.43Å; F294-F299 AromaticContact CD1-CD1 3.86Å; F294-F299 HydrophobicContact CD1-CD1 3.86Å; F294-F299 HydrophobicContact CD1-CG 4.48Å; F294-F299 VanDerWaalsContact CD1-O 3.3Å; F294-F299 WeakPolarHBondContact CD1-O 3.31Å; F294-F299 AromaticContact CE1-CD1 3.82Å; F294-F299 HydrophobicContact CE1-CD1 3.82Å; F294-F299 HydrophobicContact CE1-CE1 4.22Å; F294-F299 CarbonylContact O-C 3.58Å; F294-F299 WeakPolarHBondContact O-CA 3.37Å; F294-F299 PolarHBondContact O-N 2.79Å; F294-Y303 HydrophobicContact CD2-CD2 4.22Å; F294-Y303 HydrophobicContact CD2-CG 4.46Å
295	Q	98.3	Very high	98	Very high	122 Å²	122	37.9 Å²	37.9	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-65.8	-50.6	169.2	-176.5	62.4	32.1	0	0	110.7	P291 S292 L293 I297 G298	P291-Q295 PolarHBondContact O-N 3.46Å; S292-Q295 WeakPolarHBondContact O-CB 3.47Å; S292-Q295 PolarHBondContact O-N 2.76Å; L293-Q295 VanDerWaalsContact C-N 3.28Å; L293-Q295 PolarHBondContact O-N 3.21Å; Q295-I297 VanDerWaalsContact C-N 3.29Å; Q295-I297 PolarHBondContact O-N 2.95Å; Q295-G298 PolarHBondContact O-N 2.69Å
296	D	97.9	Very high	97.9	Very high	74 Å²	74	37.9 Å²	37.9	40%	0.396	21%	0.214	S	C	.	.	H	α-helix	trans	-66.3	-28.8	-174.5	-61.2	-22.4	0	0	0	112.6	Y285 S292 L293 G298 F351	Y285-D296 WeakPolarHBondContact CE1-OD2 3.16Å; Y285-D296 VanDerWaalsContact CZ-OD2 3.31Å; Y285-D296 PolarHBondContact OH-OD2 2.71Å; S292-D296 WeakPolarHBondContact O-CB 3.49Å; S292-D296 PolarHBondContact O-N 2.69Å; S292-D296 VanDerWaalsContact O-OD2 3.1Å; L293-D296 PolarHBondContact O-N 3.47Å; D296-G298 VanDerWaalsContact C-N 3.3Å; D296-F351 HydrophobicContact CB-CE1 4.36Å
297	I	97.7	Very high	97.9	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.041	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	7.5	175.2	72.8	-178.2	0	0	0	114.1	V235 I236 R256 L293 F294 Q295 F299 F351 P352	V235-I297 HydrophobicContact CG1-CD1 4.25Å; I236-I297 HydrophobicContact CG1-CD1 4.06Å; I236-I297 HydrophobicContact CG1-CG2 4.44Å; I236-I297 HydrophobicContact CG2-CG2 4.09Å; R256-I297 PolarHBondContact NH1-O 3.27Å; R256-I297 PolarHBondContact NH2-O 2.88Å; L293-I297 HydrophobicContact CD1-CG2 3.99Å; L293-I297 WeakPolarHBondContact O-CG1 3.41Å; L293-I297 WeakPolarHBondContact O-CG2 3.48Å; L293-I297 PolarHBondContact O-N 3.31Å; F294-I297 HydrophobicContact CD1-CD1 4.18Å; Q295-I297 VanDerWaalsContact C-N 3.29Å; Q295-I297 PolarHBondContact O-N 2.95Å; I297-F299 HydrophobicContact CD1-CB 4.29Å; I297-F299 HydrophobicContact CG1-CB 3.97Å; I297-F299 PolarHBondContact O-N 3.45Å; I297-F351 HydrophobicContact CG2-CE1 3.76Å; I297-F351 HydrophobicContact CG2-CE2 4.24Å; I297-F351 HydrophobicContact CG2-CZ 3.4Å; I297-F351 VanDerWaalsContact CG2-CZ 3.4Å; I297-P352 HydrophobicContact CB-CB 4.15Å; I297-P352 HydrophobicContact CB-CG 3.92Å; I297-P352 HydrophobicContact CG2-CB 3.88Å; I297-P352 HydrophobicContact CG2-CG 4.15Å
298	G	97.6	Very high	97.8	Very high	58 Å²	58	43 Å²	43	60%	0.598	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	36.9	-179.5	0	0	0	0	0	113.6	Q295 D296	Q295-G298 PolarHBondContact O-N 2.69Å; D296-G298 VanDerWaalsContact C-N 3.3Å
299	F	97.8	Very high	97.8	Very high	22 Å²	22	39 Å²	39	10%	0.096	22%	0.216	C	C	.	.			trans	-138.3	50.7	-178.6	-168.7	-135.9	0	0	0	113.8	F91 V235 R256 I262 F294 I297 V301 G302	F91-F299 HydrophobicContact CE2-CZ 4.31Å; V235-F299 HydrophobicContact CG1-CD1 4.15Å; V235-F299 HydrophobicContact CG1-CE1 4.36Å; R256-F299 HydrophobicContact CB-CE1 3.9Å; R256-F299 HydrophobicContact CB-CE2 4.27Å; R256-F299 HydrophobicContact CB-CZ 3.76Å; R256-F299 HydrophobicContact CG-CD1 3.99Å; R256-F299 HydrophobicContact CG-CE1 3.74Å; R256-F299 HydrophobicContact CG-CZ 4.09Å; R256-F299 WeakPolarHBondContact O-CZ 3.49Å; I262-F299 HydrophobicContact CD1-CE1 3.9Å; I262-F299 HydrophobicContact CD1-CZ 3.89Å; I262-F299 HydrophobicContact CG1-CE1 4.35Å; F294-F299 HydrophobicContact CD1-CB 4.43Å; F294-F299 AromaticContact CD1-CD1 3.86Å; F294-F299 HydrophobicContact CD1-CD1 3.86Å; F294-F299 HydrophobicContact CD1-CG 4.48Å; F294-F299 VanDerWaalsContact CD1-O 3.3Å; F294-F299 WeakPolarHBondContact CD1-O 3.31Å; F294-F299 AromaticContact CE1-CD1 3.82Å; F294-F299 HydrophobicContact CE1-CD1 3.82Å; F294-F299 HydrophobicContact CE1-CE1 4.22Å; F294-F299 CarbonylContact O-C 3.58Å; F294-F299 WeakPolarHBondContact O-CA 3.37Å; F294-F299 PolarHBondContact O-N 2.79Å; I297-F299 HydrophobicContact CD1-CB 4.29Å; I297-F299 HydrophobicContact CG1-CB 3.97Å; I297-F299 PolarHBondContact O-N 3.45Å; F299-V301 VanDerWaalsContact C-N 3.26Å; F299-V301 HydrophobicContact CD2-CG1 3.72Å; F299-V301 HydrophobicContact CE2-CG1 3.38Å; F299-V301 HydrophobicContact CZ-CG1 4.21Å; F299-V301 PolarHBondContact O-N 3.49Å; F299-V301 VanDerWaalsContact O-N 3.16Å; F299-G302 VanDerWaalsContact CE1-CA 3.43Å; F299-G302 PolarHBondContact O-N 2.76Å
300	P	97.4	Very high	97.6	Very high	64 Å²	64	37.9 Å²	37.9	42%	0.416	21%	0.211	S	C	.	.	H	α-helix	trans	-60.5	-30.8	-174	24.7	-35.3	0	0	0	114.1	G302 Y303 Q304	P300-G302 PolarHBondContact O-N 3.4Å; P300-Y303 PolarHBondContact O-N 3.35Å; P300-Y303 VanDerWaalsContact O-N 3.16Å; P300-Q304 PolarHBondContact O-N 2.99Å
301	V	97	Very high	97.4	Very high	53 Å²	53	45.5 Å²	45.5	32%	0.321	25%	0.247	S	C	.	.	H	α-helix	trans	-60.7	-33.2	174.9	67.2	0	0	0	0	112.1	F91 L96 F299 Y303 Q304 V305	F91-V301 HydrophobicContact CB-CG2 4.49Å; L96-V301 HydrophobicContact CD2-CG2 4.14Å; F299-V301 VanDerWaalsContact C-N 3.26Å; F299-V301 HydrophobicContact CD2-CG1 3.72Å; F299-V301 HydrophobicContact CE2-CG1 3.38Å; F299-V301 HydrophobicContact CZ-CG1 4.21Å; F299-V301 PolarHBondContact O-N 3.49Å; F299-V301 VanDerWaalsContact O-N 3.16Å; V301-Y303 VanDerWaalsContact C-N 3.26Å; V301-Y303 PolarHBondContact O-N 2.65Å; V301-Q304 WeakPolarHBondContact O-CB 3.28Å; V301-Q304 PolarHBondContact O-N 3.37Å; V301-V305 HydrophobicContact CG2-CG2 4.48Å; V301-V305 WeakPolarHBondContact O-CG2 3.39Å; V301-V305 PolarHBondContact O-N 3.03Å
302	G	97.8	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-36.3	176.4	0	0	0	0	0	112.6	I262 F299 P300 V305 Y306	I262-G302 VanDerWaalsContact CG2-O 3.26Å; I262-G302 WeakPolarHBondContact CG2-O 3.48Å; F299-G302 VanDerWaalsContact CE1-CA 3.43Å; F299-G302 PolarHBondContact O-N 2.76Å; P300-G302 PolarHBondContact O-N 3.4Å; G302-V305 PolarHBondContact O-N 2.76Å; G302-Y306 WeakPolarHBondContact O-CB 3.36Å; G302-Y306 PolarHBondContact O-N 3.48Å
303	Y	97.9	Very high	97	Very high	52 Å²	52	44.9 Å²	44.9	20%	0.204	23%	0.234	C	C	.	.	H	α-helix	trans	-69.1	-35	174.9	-177.9	-121.9	0	0	0	112.4	P291 F294 P300 V301 Y306 K307	P291-Y303 HydrophobicContact CB-CD1 4.35Å; P291-Y303 HydrophobicContact CB-CE1 3.91Å; P291-Y303 HydrophobicContact CG-CE1 3.7Å; P291-Y303 HydrophobicContact CG-CE2 4.22Å; P291-Y303 WeakPolarHBondContact CG-OH 3.48Å; F294-Y303 HydrophobicContact CD2-CD2 4.22Å; F294-Y303 HydrophobicContact CD2-CG 4.46Å; P300-Y303 PolarHBondContact O-N 3.35Å; P300-Y303 VanDerWaalsContact O-N 3.16Å; V301-Y303 VanDerWaalsContact C-N 3.26Å; V301-Y303 PolarHBondContact O-N 2.65Å; Y303-Y306 HydrophobicContact CD2-CD1 4.15Å; Y303-Y306 HydrophobicContact CE2-CD1 4.13Å; Y303-Y306 PolarHBondContact O-N 3.47Å; Y303-K307 HydrophobicContact CD1-CD 4.32Å; Y303-K307 HydrophobicContact CD2-CG 4.41Å; Y303-K307 HydrophobicContact CE1-CD 3.65Å; Y303-K307 HydrophobicContact CE1-CG 4.1Å; Y303-K307 HydrophobicContact CE2-CD 4.34Å; Y303-K307 HydrophobicContact CE2-CG 3.91Å; Y303-K307 WeakPolarHBondContact O-CG 3.49Å; Y303-K307 PolarHBondContact O-N 2.9Å
304	Q	97.6	Very high	96.7	Very high	79 Å²	79	45.4 Å²	45.4	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-67.2	-43.6	175.6	-54.2	-57.7	-30.1	0	0	111.1	L96 P300 V301 K307 K308	L96-Q304 HydrophobicContact CD1-CB 3.65Å; L96-Q304 HydrophobicContact CD2-CB 4.07Å; P300-Q304 PolarHBondContact O-N 2.99Å; V301-Q304 WeakPolarHBondContact O-CB 3.28Å; V301-Q304 PolarHBondContact O-N 3.37Å; Q304-K307 PolarHBondContact O-N 3.03Å; Q304-K308 PolarHBondContact O-N 2.85Å
305	V	97.8	Very high	96.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-45	173.3	173.8	0	0	0	0	110.8	F91 L96 I262 V301 G302 K308 A309	F91-V305 HydrophobicContact CD1-CG2 3.81Å; F91-V305 HydrophobicContact CD2-CG2 4.18Å; F91-V305 HydrophobicContact CE1-CG1 4Å; F91-V305 HydrophobicContact CE1-CG2 3.86Å; F91-V305 HydrophobicContact CE2-CG2 4.21Å; F91-V305 HydrophobicContact CG-CG2 3.99Å; F91-V305 HydrophobicContact CZ-CG1 4.15Å; F91-V305 HydrophobicContact CZ-CG2 4.08Å; L96-V305 HydrophobicContact CB-CG2 4.32Å; I262-V305 HydrophobicContact CB-CG1 4.32Å; I262-V305 HydrophobicContact CD1-CB 4.34Å; I262-V305 HydrophobicContact CD1-CG1 4.03Å; I262-V305 HydrophobicContact CG2-CB 4.25Å; I262-V305 HydrophobicContact CG2-CG1 4.04Å; V301-V305 HydrophobicContact CG2-CG2 4.48Å; V301-V305 WeakPolarHBondContact O-CG2 3.39Å; V301-V305 PolarHBondContact O-N 3.03Å; G302-V305 PolarHBondContact O-N 2.76Å; V305-K308 PolarHBondContact O-N 3.26Å; V305-A309 WeakPolarHBondContact O-CB 3.38Å; V305-A309 PolarHBondContact O-N 2.64Å
306	Y	97.8	Very high	95.8	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.035	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-50.1	175.6	173.6	-103.9	0	0	0	112.2	I262 I265 P268 Y290 G302 Y303 K308 A309 V310	I262-Y306 WeakPolarHBondContact O-CD2 3.47Å; I265-Y306 HydrophobicContact CD1-CD2 3.58Å; I265-Y306 HydrophobicContact CD1-CE2 3.8Å; I265-Y306 HydrophobicContact CD1-CG 4Å; I265-Y306 HydrophobicContact CG1-CD2 3.61Å; I265-Y306 HydrophobicContact CG1-CE2 3.44Å; I265-Y306 VanDerWaalsContact CG1-CE2 3.44Å; I265-Y306 HydrophobicContact CG1-CG 4.5Å; P268-Y306 WeakPolarHBondContact CD-OH 3.43Å; Y290-Y306 HydrophobicContact CD2-CD1 4.09Å; Y290-Y306 AromaticContact CD2-CE1 3.63Å; Y290-Y306 HydrophobicContact CD2-CE1 3.63Å; Y290-Y306 AromaticContact CD2-CZ 4Å; Y290-Y306 AromaticContact CE2-CE1 3.94Å; Y290-Y306 HydrophobicContact CE2-CE1 3.94Å; Y290-Y306 HydrophobicContact CE2-CE2 4.35Å; Y290-Y306 AromaticContact CE2-CZ 3.79Å; G302-Y306 WeakPolarHBondContact O-CB 3.36Å; G302-Y306 PolarHBondContact O-N 3.48Å; Y303-Y306 HydrophobicContact CD2-CD1 4.15Å; Y303-Y306 HydrophobicContact CE2-CD1 4.13Å; Y303-Y306 PolarHBondContact O-N 3.47Å; Y306-K308 VanDerWaalsContact C-N 3.33Å; Y306-K308 PolarHBondContact O-N 3.01Å; Y306-A309 WeakPolarHBondContact O-CB 3.38Å; Y306-A309 PolarHBondContact O-N 2.74Å; Y306-V310 HydrophobicContact CD1-CG2 4.35Å; Y306-V310 HydrophobicContact CD2-CG2 4.26Å; Y306-V310 HydrophobicContact CE1-CG2 3.82Å; Y306-V310 HydrophobicContact CE2-CG2 3.74Å; Y306-V310 VanDerWaalsContact CZ-CG2 3.49Å; Y306-V310 WeakPolarHBondContact O-CG2 3.3Å; Y306-V310 PolarHBondContact O-N 2.98Å
307	K	96.9	Very high	95.5	Very high	88 Å²	88	44 Å²	44	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-58.8	-43.4	177.6	-76.8	-169.4	-63.7	163.1	0	112.2	Y303 Q304 V310 H311	Y303-K307 HydrophobicContact CD1-CD 4.32Å; Y303-K307 HydrophobicContact CD2-CG 4.41Å; Y303-K307 HydrophobicContact CE1-CD 3.65Å; Y303-K307 HydrophobicContact CE1-CG 4.1Å; Y303-K307 HydrophobicContact CE2-CD 4.34Å; Y303-K307 HydrophobicContact CE2-CG 3.91Å; Y303-K307 WeakPolarHBondContact O-CG 3.49Å; Y303-K307 PolarHBondContact O-N 2.9Å; Q304-K307 PolarHBondContact O-N 3.03Å; K307-V310 PolarHBondContact O-N 3.03Å; K307-H311 PolarHBondContact O-N 2.99Å; K307-H311 VanDerWaalsContact O-N 3.13Å
308	K	97.1	Very high	95.3	Very high	31 Å²	31	47.9 Å²	47.9	14%	0.135	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-48.1	175.7	-175.9	-179.5	-178.2	179.9	0	110.8	T95 L96 D97 Y162 Q304 V305 Y306 V310 H311 E312	T95-K308 PolarHBondContact O-NZ 2.9Å; L96-K308 HydrophobicContact CB-CD 4.16Å; D97-K308 VanDerWaalsContact CG-NZ 3.34Å; D97-K308 IonicContact OD1-NZ 3.83Å; D97-K308 PolarHBondContact OD1-NZ 3.47Å; D97-K308 IonicContact OD2-NZ 3.54Å; Y162-K308 HydrophobicContact CE2-CD 4.01Å; Q304-K308 PolarHBondContact O-N 2.85Å; V305-K308 PolarHBondContact O-N 3.26Å; Y306-K308 VanDerWaalsContact C-N 3.33Å; Y306-K308 PolarHBondContact O-N 3.01Å; K308-V310 VanDerWaalsContact C-N 3.34Å; K308-V310 PolarHBondContact O-N 3.08Å; K308-H311 PolarHBondContact O-N 2.99Å; K308-H311 VanDerWaalsContact O-N 3.12Å; K308-E312 WeakPolarHBondContact CE-OE1 3.23Å; K308-E312 HydrophobicContact CG-CG 4.48Å; K308-E312 WeakPolarHBondContact CG-OE1 3.48Å; K308-E312 PolarHBondContact O-N 2.82Å
309	A	96.9	Very high	95.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-41.2	178.5	0	0	0	0	0	112.9	L160 S263 V305 Y306 H311 F313 M314	L160-A309 HydrophobicContact CD1-CB 3.39Å; S263-A309 VanDerWaalsContact CB-CB 3.45Å; V305-A309 WeakPolarHBondContact O-CB 3.38Å; V305-A309 PolarHBondContact O-N 2.64Å; Y306-A309 WeakPolarHBondContact O-CB 3.38Å; Y306-A309 PolarHBondContact O-N 2.74Å; A309-H311 VanDerWaalsContact C-N 3.27Å; A309-H311 PolarHBondContact O-N 2.96Å; A309-F313 WeakPolarHBondContact O-CA 3.49Å; A309-F313 WeakPolarHBondContact O-CB 3.4Å; A309-F313 PolarHBondContact O-N 2.98Å; A309-M314 PolarHBondContact O-N 2.95Å
310	V	95.1	Very high	95	Very high	31 Å²	31	49.4 Å²	49.4	19%	0.188	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-39.1	175.5	169.4	0	0	0	0	111.6	Y306 K307 K308	Y306-V310 HydrophobicContact CD1-CG2 4.35Å; Y306-V310 HydrophobicContact CD2-CG2 4.26Å; Y306-V310 HydrophobicContact CE1-CG2 3.82Å; Y306-V310 HydrophobicContact CE2-CG2 3.74Å; Y306-V310 VanDerWaalsContact CZ-CG2 3.49Å; Y306-V310 WeakPolarHBondContact O-CG2 3.3Å; Y306-V310 PolarHBondContact O-N 2.98Å; K307-V310 PolarHBondContact O-N 3.03Å; K308-V310 VanDerWaalsContact C-N 3.34Å; K308-V310 PolarHBondContact O-N 3.08Å
311	H	94.2	Very high	94.9	Very high	164 Å²	164	49.7 Å²	49.7	76%	0.759	24%	0.237	S	C	*	.	H	α-helix	trans	-75.8	-45.3	-179.1	-176.4	63	0	0	0	113.3	K307 K308 A309	K307-H311 PolarHBondContact O-N 2.99Å; K307-H311 VanDerWaalsContact O-N 3.13Å; K308-H311 PolarHBondContact O-N 2.99Å; K308-H311 VanDerWaalsContact O-N 3.12Å; A309-H311 VanDerWaalsContact C-N 3.27Å; A309-H311 PolarHBondContact O-N 2.96Å
312	E	94	Very high	94.9	Very high	82 Å²	82	47.9 Å²	47.9	38%	0.383	23%	0.226	S	C	.	.	H	α-helix	trans	-96.9	-21.4	-168.6	-66.2	-173.4	-143.5	0	0	114.6	Y162 K308	Y162-E312 HydrophobicContact CD1-CB 3.72Å; Y162-E312 HydrophobicContact CE1-CB 4.06Å; Y162-E312 HydrophobicContact CG-CB 4.48Å; K308-E312 WeakPolarHBondContact CE-OE1 3.23Å; K308-E312 HydrophobicContact CG-CG 4.48Å; K308-E312 WeakPolarHBondContact CG-OE1 3.48Å; K308-E312 PolarHBondContact O-N 2.82Å
313	F	93.8	Very high	94.8	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.018	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-53.2	-173.2	171.2	-126.1	0	0	0	113.6	L160 P161 Y162 L197 Y198 N201 A309 T315	L160-F313 HydrophobicContact CD2-CD1 3.42Å; L160-F313 VanDerWaalsContact CD2-CD1 3.42Å; L160-F313 HydrophobicContact CD2-CE1 3.56Å; L160-F313 HydrophobicContact CD2-CG 4.18Å; L160-F313 HydrophobicContact CD2-CZ 4.42Å; L160-F313 HydrophobicContact CG-CD1 4.48Å; P161-F313 VanDerWaalsContact CD-CD2 3.43Å; P161-F313 HydrophobicContact CG-CD2 3.37Å; P161-F313 HydrophobicContact CG-CE2 3.44Å; P161-F313 VanDerWaalsContact CG-CE2 3.44Å; P161-F313 HydrophobicContact CG-CG 4.19Å; P161-F313 HydrophobicContact CG-CZ 4.3Å; Y162-F313 HydrophobicContact CD1-CB 4.46Å; Y162-F313 HydrophobicContact CE1-CB 4.38Å; L197-F313 HydrophobicContact CB-CE1 4.28Å; L197-F313 HydrophobicContact CB-CE2 4.25Å; L197-F313 HydrophobicContact CB-CZ 3.57Å; Y198-F313 AromaticContact CD2-CE2 3.97Å; Y198-F313 HydrophobicContact CD2-CE2 3.97Å; Y198-F313 AromaticContact CD2-CZ 3.69Å; Y198-F313 HydrophobicContact CD2-CZ 3.69Å; Y198-F313 HydrophobicContact CE2-CE2 4.29Å; Y198-F313 AromaticContact CE2-CZ 3.93Å; Y198-F313 HydrophobicContact CE2-CZ 3.93Å; N201-F313 HydrophobicContact CB-CD2 4.03Å; N201-F313 HydrophobicContact CB-CE2 4.05Å; N201-F313 PolarHBondContact ND2-O 3.49Å; A309-F313 WeakPolarHBondContact O-CA 3.49Å; A309-F313 WeakPolarHBondContact O-CB 3.4Å; A309-F313 PolarHBondContact O-N 2.98Å; F313-T315 PolarHBondContact O-N 3.06Å
314	M	90.7	Very high	94.7	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.059	26%	0.255	C	S	.	.			trans	-75.9	98.3	-168.8	-57	-67.6	-72.1	0	0	111.5	L197 R269 A309	L197-M314 HydrophobicContact CD1-CE 4.08Å; L197-M314 HydrophobicContact CD1-SD 4.19Å; R269-M314 PolarHBondContact NH1-O 3.47Å; R269-M314 VanDerWaalsContact NH1-O 3.08Å; R269-M314 VanDerWaalsContact NH2-CB 3.34Å; R269-M314 PolarHBondContact NH2-O 3.24Å; A309-M314 PolarHBondContact O-N 2.95Å
315	T	90.3	Very high	94.7	Very high	25 Å²	25	49.2 Å²	49.2	15%	0.153	24%	0.241	C	C	.	.			trans	-100.8	138.8	171.6	178.4	0	0	0	0	110.8	L200 F313 D317	L200-T315 HydrophobicContact CD2-CG2 3.96Å; L200-T315 HydrophobicContact CG-CG2 3.91Å; F313-T315 PolarHBondContact O-N 3.06Å; T315-D317 VanDerWaalsContact OG1-CB 3.24Å; T315-D317 WeakPolarHBondContact OG1-CB 3.42Å; T315-D317 PolarHBondContact OG1-N 3.44Å; T315-D317 PolarHBondContact OG1-OD2 3.22Å
316	L	88.8	Confident	94.8	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.199	25%	0.247	C	C	.	.			trans	-100.2	0	168.2	-59.7	-174.7	0	0	0	111.4	F225 R269 I270	F225-L316 WeakPolarHBondContact O-CD2 3.33Å; R269-L316 HydrophobicContact CB-CD1 3.77Å; I270-L316 HydrophobicContact CD1-CD1 3.94Å; I270-L316 HydrophobicContact CD1-CD2 3.54Å; I270-L316 HydrophobicContact CD1-CG 4.4Å; I270-L316 HydrophobicContact CG1-CD1 3.89Å; I270-L316 HydrophobicContact CG1-CD2 4.41Å
317	D	91.4	Very high	94.8	Very high	103 Å²	103	50.3 Å²	50.3	55%	0.551	25%	0.246	S	C	*	.	S	Bend	trans	-67.1	136.3	179.1	-57.7	-51.8	0	0	0	109.8	T315	T315-D317 VanDerWaalsContact OG1-CB 3.24Å; T315-D317 WeakPolarHBondContact OG1-CB 3.42Å; T315-D317 PolarHBondContact OG1-N 3.44Å; T315-D317 PolarHBondContact OG1-OD2 3.22Å
318	Y	93.8	Very high	94.9	Very high	91 Å²	91	46.2 Å²	46.2	36%	0.357	23%	0.228	S	C	.	.			trans	-64.7	149.5	171.7	76.2	-82.6	0	0	0	110.8	K320 P379	Y318-K320 HydrophobicContact CD2-CG 4.17Å; Y318-K320 HydrophobicContact CE1-CD 4.42Å; Y318-K320 HydrophobicContact CE1-CG 4Å; Y318-K320 HydrophobicContact CE2-CB 4.29Å; Y318-K320 HydrophobicContact CE2-CG 3.61Å; Y318-K320 PolarHBondContact O-N 3Å; Y318-P379 HydrophobicContact CD1-CG 4.17Å; Y318-P379 HydrophobicContact CD2-CG 3.54Å; Y318-P379 HydrophobicContact CE1-CG 4.13Å; Y318-P379 HydrophobicContact CE2-CG 3.46Å; Y318-P379 VanDerWaalsContact CE2-CG 3.46Å; Y318-P379 HydrophobicContact CG-CG 3.9Å
319	P	94.2	Very high	95	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.026	23%	0.225	C	C	.	.			trans	-71	88.4	179.4	28.9	-34.8	0	0	0	111.2	L200 N204 Y218 I322 V325 W378	L200-P319 HydrophobicContact CD1-CB 3.66Å; L200-P319 HydrophobicContact CD1-CG 4.06Å; N204-P319 WeakPolarHBondContact OD1-CA 3.5Å; Y218-P319 HydrophobicContact CD1-CB 4.22Å; Y218-P319 HydrophobicContact CD1-CG 3.87Å; Y218-P319 HydrophobicContact CE1-CG 4.28Å; P319-I322 HydrophobicContact CB-CG1 3.83Å; P319-V325 HydrophobicContact CG-CB 4.38Å; P319-V325 HydrophobicContact CG-CG1 3.68Å; P319-V325 HydrophobicContact CG-CG2 3.73Å; P319-W378 HydrophobicContact CG-CE3 4.27Å; P319-W378 HydrophobicContact CG-CZ3 4.16Å
320	K	94.5	Very high	95	Very high	108 Å²	108	45.7 Å²	45.7	47%	0.47	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	148.7	-179.5	-63.4	-171.1	178.6	174.8	0	111.6	K211 Y318 I322	K211-K320 PolarHBondContact NZ-O 2.97Å; Y318-K320 HydrophobicContact CD2-CG 4.17Å; Y318-K320 HydrophobicContact CE1-CD 4.42Å; Y318-K320 HydrophobicContact CE1-CG 4Å; Y318-K320 HydrophobicContact CE2-CB 4.29Å; Y318-K320 HydrophobicContact CE2-CG 3.61Å; Y318-K320 PolarHBondContact O-N 3Å; K320-I322 PolarHBondContact O-N 3.35Å; K320-I322 VanDerWaalsContact O-N 3.07Å
321	D	96	Very high	95.2	Very high	69 Å²	69	44.6 Å²	44.6	37%	0.369	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	25	175.7	-35.8	-79.9	0	0	0	115.2	K208 K211	K208-D321 HydrophobicContact CB-CB 4.37Å; K208-D321 HydrophobicContact CD-CB 4.44Å; K208-D321 WeakPolarHBondContact CD-OD1 3.26Å; K208-D321 WeakPolarHBondContact CE-OD1 3.36Å; K208-D321 HydrophobicContact CG-CB 3.92Å; K208-D321 IonicContact NZ-OD1 3.99Å; K211-D321 IonicContact NZ-OD2 3.75Å; K211-D321 PolarHBondContact NZ-OD2 2.91Å; K211-D321 VanDerWaalsContact NZ-OD2 3.1Å
322	I	96.9	Very high	95.4	Very high	16 Å²	16	38.9 Å²	38.9	8%	0.082	20%	0.204	C	C	.	.			trans	-89.2	128.8	165.7	-60.5	-59.3	0	0	0	107.6	L203 K211 I215 P319 K320 E324 V325	L203-I322 HydrophobicContact CB-CD1 4.3Å; L203-I322 HydrophobicContact CD1-CD1 3.94Å; L203-I322 HydrophobicContact CD1-CG1 4.2Å; L203-I322 HydrophobicContact CD2-CD1 3.77Å; L203-I322 HydrophobicContact CG-CD1 4.21Å; K211-I322 HydrophobicContact CB-CD1 4.11Å; K211-I322 HydrophobicContact CD-CD1 3.57Å; K211-I322 HydrophobicContact CD-CG1 4.46Å; K211-I322 HydrophobicContact CG-CD1 3.87Å; I215-I322 HydrophobicContact CG2-CD1 4.16Å; I215-I322 HydrophobicContact CG2-CG2 4.3Å; P319-I322 HydrophobicContact CB-CG1 3.83Å; K320-I322 PolarHBondContact O-N 3.35Å; K320-I322 VanDerWaalsContact O-N 3.07Å; I322-E324 VanDerWaalsContact C-N 3.32Å; I322-E324 VanDerWaalsContact CG2-O 3.3Å; I322-E324 WeakPolarHBondContact CG2-O 3.24Å; I322-E324 PolarHBondContact O-N 2.97Å; I322-V325 HydrophobicContact CB-CG2 3.85Å; I322-V325 HydrophobicContact CG2-CG2 3.89Å
323	P	94.2	Very high	95.6	Very high	78 Å²	78	36.8 Å²	36.8	51%	0.506	20%	0.195	S	C	.	.	S	Bend	trans	-57.9	-43.5	-176.8	-26	34.3	0	0	0	113.1
324	E	97.2	Very high	95.8	Very high	68 Å²	68	43 Å²	43	32%	0.318	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.5	-179.8	-59.2	178.2	-126.5	0	0	111.5	S217 Y218 I322 Y326 H407	S217-E324 CarbonylContact C-O 3.57Å; S217-E324 WeakPolarHBondContact CA-O 3.12Å; S217-E324 WeakPolarHBondContact CB-O 3.49Å; Y218-E324 PolarHBondContact N-O 3.24Å; I322-E324 VanDerWaalsContact C-N 3.32Å; I322-E324 VanDerWaalsContact CG2-O 3.3Å; I322-E324 WeakPolarHBondContact CG2-O 3.24Å; I322-E324 PolarHBondContact O-N 2.97Å; E324-Y326 HydrophobicContact CB-CE2 3.81Å; E324-Y326 WeakPolarHBondContact OE2-CE2 3.32Å; E324-Y326 PolarHBondContact OE2-OH 3.27Å; E324-H407 IonicContact OE2-CE1 3.35Å; E324-H407 PolarHBondContact OE2-CE1 3.04Å; E324-H407 IonicContact OE2-ND1 3.01Å
325	V	98.2	Very high	96.1	Very high	12 Å²	12	42.4 Å²	42.4	7%	0.073	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.2	-178.3	-175.5	0	0	0	0	108.8	Y218 P319 I322 W378 V381 S382	Y218-V325 HydrophobicContact CD1-CG1 4.15Å; Y218-V325 WeakPolarHBondContact O-CA 3.24Å; P319-V325 HydrophobicContact CG-CB 4.38Å; P319-V325 HydrophobicContact CG-CG1 3.68Å; P319-V325 HydrophobicContact CG-CG2 3.73Å; I322-V325 HydrophobicContact CB-CG2 3.85Å; I322-V325 HydrophobicContact CG2-CG2 3.89Å; V325-W378 HydrophobicContact CG1-CE3 3.83Å; V325-W378 HydrophobicContact CG1-CZ3 3.95Å; V325-V381 HydrophobicContact CG1-CG2 4.15Å; V325-S382 PolarHBondContact O-N 2.95Å
326	Y	98.5	Very high	96.5	Very high	33 Å²	33	42 Å²	42	13%	0.129	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.7	178.7	-64.7	-93.4	0	0	0	110.7	Y218 I219 S220 E324 S382 F403 H407	Y218-Y326 PolarHBondContact O-N 2.78Å; I219-Y326 HydrophobicContact CG1-CD2 4.09Å; I219-Y326 HydrophobicContact CG1-CG 4.44Å; S220-Y326 PolarHBondContact N-O 2.97Å; E324-Y326 HydrophobicContact CB-CE2 3.81Å; E324-Y326 WeakPolarHBondContact OE2-CE2 3.32Å; E324-Y326 PolarHBondContact OE2-OH 3.27Å; Y326-S382 CarbonylContact C-O 3.55Å; Y326-S382 VanDerWaalsContact CA-O 3.31Å; Y326-S382 WeakPolarHBondContact CA-O 3.43Å; Y326-S382 VanDerWaalsContact CE1-CB 3.47Å; Y326-F403 AromaticContact CD1-CE2 3.64Å; Y326-F403 HydrophobicContact CD1-CE2 3.64Å; Y326-F403 AromaticContact CD1-CZ 3.39Å; Y326-F403 HydrophobicContact CD1-CZ 3.39Å; Y326-F403 HydrophobicContact CD2-CZ 4.36Å; Y326-F403 AromaticContact CE1-CE2 3.61Å; Y326-F403 HydrophobicContact CE1-CE2 3.61Å; Y326-F403 AromaticContact CE1-CZ 3.76Å; Y326-F403 HydrophobicContact CE1-CZ 3.76Å; Y326-F403 HydrophobicContact CG-CE2 4.41Å; Y326-F403 AromaticContact CG-CZ 3.73Å; Y326-F403 HydrophobicContact CG-CZ 3.73Å; Y326-H407 AromaticContact CE2-CE1 3.48Å; Y326-H407 VanDerWaalsContact CE2-CE1 3.48Å; Y326-H407 WeakPolarHBondContact CE2-CE1 3.3Å; Y326-H407 AromaticContact CE2-ND1 4Å; Y326-H407 AromaticContact CE2-NE2 3.69Å; Y326-H407 AromaticContact CZ-CE1 3.76Å; Y326-H407 AromaticContact CZ-ND1 3.87Å; Y326-H407 PolarHBondContact OH-CE1 3.48Å; Y326-H407 PolarHBondContact OH-ND1 2.96Å
327	C	98.4	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	95.8	174.4	175	0	0	0	0	107.8	C375 V381 S382 M384	C327-C375 HydrophobicContact CB-CB 3.74Å; C327-C375 WeakPolarHBondContact CB-SG 3.4Å; C327-C375 VanDerWaalsContact SG-C 3.59Å; C327-C375 WeakPolarHBondContact SG-CB 3.41Å; C327-C375 CovalentContact SG-SG 2.02Å; C327-C375 PolarHBondContact SG-SG 3.13Å; C327-V381 HydrophobicContact CB-CG2 3.5Å; C327-V381 VanDerWaalsContact CB-CG2 3.5Å; C327-S382 PolarHBondContact N-O 3.02Å; C327-M384 PolarHBondContact O-N 3.14Å
328	V	98.7	Very high	97.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118	179.8	-170	0	0	0	0	109.1	I219 S220 V221 S222 M384 L386 I394 F400 F403	I219-V328 HydrophobicContact CG2-CG2 3.67Å; S220-V328 WeakPolarHBondContact O-CA 3.49Å; S220-V328 VanDerWaalsContact O-CB 3.28Å; S220-V328 WeakPolarHBondContact O-CB 3.33Å; S220-V328 PolarHBondContact O-N 2.91Å; V221-V328 CarbonylContact C-O 3.44Å; V221-V328 WeakPolarHBondContact CA-O 3.3Å; V221-V328 HydrophobicContact CG1-CB 4.46Å; V221-V328 HydrophobicContact CG1-CG1 4.34Å; V221-V328 HydrophobicContact CG2-CB 4.23Å; V221-V328 HydrophobicContact CG2-CG2 4.45Å; S222-V328 PolarHBondContact N-O 3.13Å; V328-M384 WeakPolarHBondContact CA-O 3.19Å; V328-M384 HydrophobicContact CB-CB 4.41Å; V328-M384 HydrophobicContact CG1-CB 4.18Å; V328-M384 HydrophobicContact CG1-CG 4.23Å; V328-M384 HydrophobicContact CG1-SD 4.17Å; V328-M384 HydrophobicContact CG2-CB 4.09Å; V328-L386 HydrophobicContact CG1-CD1 4.48Å; V328-I394 HydrophobicContact CG1-CD1 4.24Å; V328-F400 HydrophobicContact CG1-CD2 3.93Å; V328-F400 HydrophobicContact CG1-CE2 4.13Å; V328-F400 HydrophobicContact CG2-CE2 4.47Å; V328-F403 HydrophobicContact CG2-CE1 4.26Å
329	Y	98.5	Very high	97.5	Very high	19 Å²	19	37 Å²	37	8%	0.075	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	169.7	177.4	68.7	-85.7	0	0	0	111.8	L369 L372 Q373 T376 I383 M384 H385 L386	Y329-L369 HydrophobicContact CD2-CD1 4.1Å; Y329-L369 HydrophobicContact CE2-CD1 3.81Å; Y329-L372 HydrophobicContact CD2-CB 4.2Å; Y329-L372 HydrophobicContact CG-CB 4.29Å; Y329-Q373 HydrophobicContact CE1-CB 4.38Å; Y329-Q373 HydrophobicContact CE2-CB 4.05Å; Y329-T376 HydrophobicContact CE1-CG2 3.66Å; Y329-I383 HydrophobicContact CE1-CG2 3.8Å; Y329-M384 PolarHBondContact N-O 2.78Å; Y329-M384 VanDerWaalsContact N-O 3.08Å; Y329-H385 AromaticContact CD2-CD2 3.78Å; Y329-H385 HydrophobicContact CE1-CB 4.42Å; Y329-H385 HydrophobicContact CE2-CB 4.33Å; Y329-H385 AromaticContact CE2-CD2 3.4Å; Y329-H385 VanDerWaalsContact CE2-CD2 3.4Å; Y329-H385 WeakPolarHBondContact CE2-CD2 3.36Å; Y329-H385 AromaticContact CE2-CG 3.83Å; Y329-H385 AromaticContact CE2-NE2 3.86Å; Y329-H385 AromaticContact CZ-CG 3.97Å; Y329-H385 WeakPolarHBondContact O-CA 3.23Å; Y329-L386 PolarHBondContact O-N 2.88Å
330	S	98	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	161.3	-178.5	173.7	0	0	0	0	111.8	L372 L386 S389	S330-L372 WeakPolarHBondContact O-CD1 3.5Å; S330-L386 VanDerWaalsContact CA-O 3.25Å; S330-L386 WeakPolarHBondContact CA-O 3.35Å; S330-L386 WeakPolarHBondContact CB-O 2.99Å; S330-L386 PolarHBondContact OG-O 3.43Å; S330-S389 WeakPolarHBondContact CB-O 3.46Å; S330-S389 WeakPolarHBondContact OG-CA 3.17Å; S330-S389 PolarHBondContact OG-N 2.81Å; S330-S389 VanDerWaalsContact OG-N 3.1Å; S330-S389 PolarHBondContact OG-O 2.93Å
331	S	98.3	Very high	97.8	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.063	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	-176.7	169.8	79.6	0	0	0	0	110.6	G363 H385 V388	S331-G363 CarbonylContact C-O 3.27Å; S331-G363 VanDerWaalsContact CA-O 3.32Å; S331-G363 WeakPolarHBondContact CA-O 3.08Å; S331-H385 WeakPolarHBondContact CB-NE2 3.38Å; S331-H385 PolarHBondContact OG-CE1 3.27Å; S331-H385 VanDerWaalsContact OG-CE1 3.28Å; S331-H385 PolarHBondContact OG-NE2 3.46Å; S331-V388 PolarHBondContact O-N 3Å
332	G	98	Very high	97.9	Very high	43 Å²	43	34.7 Å²	34.7	44%	0.443	18%	0.181	S	C	.	.	S	Bend	trans	87.6	14.3	178.9	0	0	0	0	0	114.2	D362	G332-D362 VanDerWaalsContact CA-OD1 3.31Å; G332-D362 WeakPolarHBondContact CA-OD1 3.38Å; G332-D362 PolarHBondContact N-OD1 3.33Å
333	L	98.3	Very high	97.9	Very high	38 Å²	38	37.9 Å²	37.9	20%	0.199	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-124.6	137.3	-178.3	-63.2	171.6	0	0	0	111.7	T335 G363 V388 N390	L333-T335 PolarHBondContact O-N 3.01Å; L333-T335 PolarHBondContact O-OG1 3.36Å; L333-G363 WeakPolarHBondContact CB-O 3.32Å; L333-G363 PolarHBondContact N-O 3.38Å; L333-G363 VanDerWaalsContact N-O 3.12Å; L333-G363 PolarHBondContact O-N 3.29Å; L333-V388 HydrophobicContact CD2-CG1 3.96Å; L333-N390 HydrophobicContact CD1-CB 3.76Å
334	L	98.3	Very high	97.9	Very high	134 Å²	134	37.9 Å²	37.9	70%	0.702	21%	0.205	S	C	*	.			trans	-56.6	114.8	177.7	-65.7	179.5	0	0	0	110.4	Y360	L334-Y360 HydrophobicContact CB-CD1 4.04Å; L334-Y360 HydrophobicContact CB-CG 4.2Å
335	T	98.4	Very high	97.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.6	-177.5	-55.9	0	0	0	0	109.1	L333 K337 Y360 E361 G363 D364 G365	L333-T335 PolarHBondContact O-N 3.01Å; L333-T335 PolarHBondContact O-OG1 3.36Å; T335-K337 PolarHBondContact O-N 3.16Å; T335-K337 VanDerWaalsContact O-N 3.11Å; T335-Y360 CarbonylContact O-C 3.56Å; T335-Y360 WeakPolarHBondContact O-CA 3.34Å; T335-E361 PolarHBondContact N-O 3.09Å; T335-E361 PolarHBondContact O-N 3.39Å; T335-G363 VanDerWaalsContact OG1-C 3.24Å; T335-G363 WeakPolarHBondContact OG1-CA 3.29Å; T335-G363 PolarHBondContact OG1-N 2.98Å; T335-D364 PolarHBondContact OG1-N 3.21Å; T335-G365 WeakPolarHBondContact OG1-CA 3.46Å; T335-G365 PolarHBondContact OG1-N 3.34Å
336	I	98.1	Very high	97.5	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.087	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	119.5	-173.7	-56	175.9	0	0	0	109.3	V229 K230 L233 L339 L358 Y360 N368	V229-I336 HydrophobicContact CB-CG2 4.34Å; V229-I336 VanDerWaalsContact CB-O 3.23Å; V229-I336 WeakPolarHBondContact CB-O 3.36Å; V229-I336 HydrophobicContact CG1-CB 4.42Å; V229-I336 HydrophobicContact CG1-CG2 3.73Å; V229-I336 WeakPolarHBondContact CG2-O 3.41Å; K230-I336 HydrophobicContact CB-CD1 4.28Å; K230-I336 HydrophobicContact CG-CD1 4.22Å; L233-I336 HydrophobicContact CD2-CD1 3.86Å; I336-L339 HydrophobicContact CG2-CD2 3.71Å; I336-L358 HydrophobicContact CD1-CD1 3.96Å; I336-L358 HydrophobicContact CD1-CD2 4.36Å; I336-L358 HydrophobicContact CG1-CD1 4.31Å; I336-L358 HydrophobicContact CG2-CD2 4.15Å; I336-Y360 HydrophobicContact CG1-CD1 4.46Å; I336-Y360 HydrophobicContact CG1-CE1 4.12Å; I336-N368 PolarHBondContact O-ND2 3.06Å
337	K	98.1	Very high	97.1	Very high	65 Å²	65	52.3 Å²	52.3	28%	0.283	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-46.6	173.5	-177.9	178.7	-176.7	162.3	0	111.5	T335 E359 E361	T335-K337 PolarHBondContact O-N 3.16Å; T335-K337 VanDerWaalsContact O-N 3.11Å; K337-E359 PolarHBondContact N-O 2.8Å; K337-E361 HydrophobicContact CB-CB 3.9Å; K337-E361 HydrophobicContact CB-CG 3.72Å; K337-E361 HydrophobicContact CD-CB 4.05Å; K337-E361 HydrophobicContact CD-CG 4.42Å; K337-E361 HydrophobicContact CG-CB 4.24Å; K337-E361 HydrophobicContact CG-CG 4.1Å
338	R	98.2	Very high	96.8	Very high	60 Å²	60	56.5 Å²	56.5	23%	0.226	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.5	-168.1	-174.5	-179.6	-65.5	169.6	-3.9	112.5	V276 I277 I340 E359	V276-R338 VanDerWaalsContact O-CZ 3.32Å; V276-R338 PolarHBondContact O-NE 3.17Å; V276-R338 PolarHBondContact O-NH2 3.35Å; V276-R338 VanDerWaalsContact O-NH2 3.09Å; I277-R338 CarbonylContact O-C 3.5Å; I277-R338 VanDerWaalsContact O-CA 3.24Å; I277-R338 WeakPolarHBondContact O-CA 3.38Å; I277-R338 WeakPolarHBondContact O-CG 3.36Å; R338-I340 HydrophobicContact CG-CG1 4.05Å; R338-E359 HydrophobicContact CB-CB 4.2Å; R338-E359 PolarHBondContact N-O 2.87Å; R338-E359 IonicContact NH1-OE2 3.06Å; R338-E359 PolarHBondContact O-N 2.86Å
339	L	98.3	Very high	96.6	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113	174.7	-49.7	-175.2	0	0	0	109.5	V229 L233 I236 I277 I278 T279 I336 Y341 P356 L358	V229-L339 HydrophobicContact CG1-CD2 4.29Å; V229-L339 HydrophobicContact CG1-CG 4.27Å; L233-L339 HydrophobicContact CB-CD1 4.07Å; L233-L339 HydrophobicContact CB-CD2 4.1Å; L233-L339 HydrophobicContact CD1-CD1 4.29Å; L233-L339 HydrophobicContact CD1-CD2 4.09Å; I236-L339 HydrophobicContact CD1-CD1 4.31Å; I277-L339 PolarHBondContact O-N 3.17Å; I278-L339 WeakPolarHBondContact CA-O 3.47Å; I278-L339 HydrophobicContact CG1-CB 4.35Å; I278-L339 HydrophobicContact CG1-CD1 4.38Å; T279-L339 PolarHBondContact N-O 2.89Å; I336-L339 HydrophobicContact CG2-CD2 3.71Å; L339-Y341 HydrophobicContact CB-CD2 4.42Å; L339-Y341 HydrophobicContact CB-CE2 3.72Å; L339-Y341 HydrophobicContact CD1-CE2 4.45Å; L339-P356 HydrophobicContact CB-CB 4.05Å; L339-P356 HydrophobicContact CB-CG 4.08Å; L339-P356 HydrophobicContact CD2-CG 4.21Å; L339-L358 HydrophobicContact CD2-CD2 3.47Å; L339-L358 VanDerWaalsContact CD2-CD2 3.47Å
340	I	98.3	Very high	96.5	Very high	31 Å²	31	65.3 Å²	65.3	16%	0.159	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	104.1	-178.6	-56.5	179.9	0	0	0	109.9	T279 R338 P356 K357 E359	T279-I340 HydrophobicContact CG2-CG2 4.4Å; R338-I340 HydrophobicContact CG-CG1 4.05Å; I340-P356 CarbonylContact O-C 3.55Å; I340-P356 WeakPolarHBondContact O-CA 3.27Å; I340-K357 HydrophobicContact CB-CB 4.23Å; I340-K357 PolarHBondContact N-O 3.42Å; I340-K357 PolarHBondContact O-N 3.06Å; I340-E359 HydrophobicContact CD1-CG 3.63Å; I340-E359 WeakPolarHBondContact CD1-OE1 3.37Å; I340-E359 HydrophobicContact CG1-CG 4.49Å
341	Y	97.8	Very high	96.4	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.016	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-86.3	130.9	174.6	-64.5	-89.3	0	0	0	110.1	I236 T237 I278 T279 T280 L339 F351 Q354 P356	I236-Y341 HydrophobicContact CG2-CE1 4.45Å; I236-Y341 HydrophobicContact CG2-CE2 4.37Å; I236-Y341 WeakPolarHBondContact CG2-OH 3.43Å; T237-Y341 PolarHBondContact OG1-OH 2.94Å; I278-Y341 HydrophobicContact CG2-CD2 3.75Å; I278-Y341 HydrophobicContact CG2-CE2 3.73Å; T279-Y341 PolarHBondContact O-N 3.42Å; T280-Y341 HydrophobicContact CG2-CD2 4.3Å; L339-Y341 HydrophobicContact CB-CD2 4.42Å; L339-Y341 HydrophobicContact CB-CE2 3.72Å; L339-Y341 HydrophobicContact CD1-CE2 4.45Å; Y341-F351 AromaticContact CD1-CD2 3.65Å; Y341-F351 HydrophobicContact CD1-CD2 3.65Å; Y341-F351 HydrophobicContact CD1-CE2 4.4Å; Y341-F351 AromaticContact CD2-CD2 3.67Å; Y341-F351 HydrophobicContact CD2-CD2 3.67Å; Y341-F351 AromaticContact CD2-CE2 3.82Å; Y341-F351 HydrophobicContact CD2-CE2 3.82Å; Y341-F351 AromaticContact CE1-CD2 3.92Å; Y341-F351 HydrophobicContact CE1-CD2 3.92Å; Y341-F351 HydrophobicContact CE1-CE2 4.32Å; Y341-F351 AromaticContact CE2-CD2 3.94Å; Y341-F351 HydrophobicContact CE2-CD2 3.94Å; Y341-F351 AromaticContact CE2-CE2 3.73Å; Y341-F351 HydrophobicContact CE2-CE2 3.73Å; Y341-F351 AromaticContact CG-CD2 3.52Å; Y341-F351 HydrophobicContact CG-CD2 3.52Å; Y341-F351 HydrophobicContact CG-CE2 4.16Å; Y341-Q354 HydrophobicContact CD1-CG 3.64Å; Y341-Q354 HydrophobicContact CE1-CG 4.22Å; Y341-P356 HydrophobicContact CD1-CB 4.02Å; Y341-P356 HydrophobicContact CD2-CB 4.15Å; Y341-P356 HydrophobicContact CE1-CB 3.83Å; Y341-P356 HydrophobicContact CE1-CG 4.02Å; Y341-P356 HydrophobicContact CE2-CB 3.97Å; Y341-P356 HydrophobicContact CE2-CG 4.32Å; Y341-P356 HydrophobicContact CG-CB 4.17Å
342	K	96.6	Very high	96.2	Very high	99 Å²	99	66.9 Å²	66.9	43%	0.43	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-93.1	160.9	-179.2	-66.6	-173.7	180	-176.8	0	110.5	Q354	K342-Q354 PolarHBondContact O-NE2 2.53Å; K342-Q354 PolarHBondContact O-OE1 3.5Å
343	P	96.5	Very high	96.1	Very high	82 Å²	82	67.5 Å²	67.5	53%	0.532	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-51.8	146.1	170	-26.9	35	0	0	0	111.7	P281 R348	P281-P343 HydrophobicContact CB-CG 4.18Å; P281-P343 HydrophobicContact CG-CB 4.24Å; P281-P343 HydrophobicContact CG-CG 3.99Å; P343-R348 PolarHBondContact O-NH1 3.28Å
344	S	94.9	Very high	95.8	Very high	78 Å²	78	66.2 Å²	66.2	55%	0.545	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-61.3	153.9	172.7	57.2	0	0	0	0	110.2	R348	S344-R348 CarbonylContact C-O 3.21Å; S344-R348 VanDerWaalsContact CA-O 3.26Å; S344-R348 WeakPolarHBondContact CA-O 3.34Å; S344-R348 WeakPolarHBondContact CB-O 3.4Å
345	S	94.6	Very high	95.5	Very high	62 Å²	62	63.4 Å²	63.4	43%	0.434	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-154.9	176.6	177.4	65.9	0	0	0	0	108.7	F347 R348	S345-F347 PolarHBondContact O-N 3.15Å; S345-R348 PolarHBondContact N-O 3.04Å; S345-R348 CarbonylContact O-C 3.56Å; S345-R348 PolarHBondContact O-N 3.27Å; S345-R348 WeakPolarHBondContact OG-CB 3.47Å; S345-R348 PolarHBondContact OG-N 3.4Å
346	L	92.4	Very high	95.4	Very high	160 Å²	160	64.1 Å²	64.1	84%	0.838	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-28.6	177.3	-170.8	64.1	0	0	0	113.8
347	F	91.1	Very high	95.3	Very high	195 Å²	195	68.9 Å²	68.9	86%	0.855	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	10.4	-178.6	-52.7	-70.5	0	0	0	113.8	S345	S345-F347 PolarHBondContact O-N 3.15Å
348	R	92.2	Very high	95.2	Very high	87 Å²	87	68 Å²	68	33%	0.328	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-142.3	114.3	-178.2	-168.6	-173.5	-55.5	116.8	5.3	110.3	P343 S344 S345 Q354	P343-R348 PolarHBondContact O-NH1 3.28Å; S344-R348 CarbonylContact C-O 3.21Å; S344-R348 VanDerWaalsContact CA-O 3.26Å; S344-R348 WeakPolarHBondContact CA-O 3.34Å; S344-R348 WeakPolarHBondContact CB-O 3.4Å; S345-R348 PolarHBondContact N-O 3.04Å; S345-R348 CarbonylContact O-C 3.56Å; S345-R348 PolarHBondContact O-N 3.27Å; S345-R348 WeakPolarHBondContact OG-CB 3.47Å; S345-R348 PolarHBondContact OG-N 3.4Å; R348-Q354 VanDerWaalsContact CD-OE1 3.24Å; R348-Q354 HydrophobicContact CG-CB 4.14Å
349	S	94.2	Very high	95.2	Very high	75 Å²	75	68.1 Å²	68.1	52%	0.524	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-61.1	158.9	172.5	-50.9	0	0	0	0	112	N353 Q354	S349-N353 VanDerWaalsContact CB-O 3.24Å; S349-N353 WeakPolarHBondContact CB-O 3.3Å; S349-Q354 PolarHBondContact O-NE2 2.68Å
350	E	94.9	Very high	95.3	Very high	132 Å²	132	73.8 Å²	73.8	62%	0.617	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-65.2	162.5	174.1	65.7	-172	166.9	0	0	113.2	N353	E350-N353 WeakPolarHBondContact O-CA 3.46Å; E350-N353 PolarHBondContact O-N 3.23Å
351	F	96.3	Very high	95.2	Very high	32 Å²	32	74.7 Å²	74.7	14%	0.14	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	137.7	169.9	169.9	-98.4	0	0	0	110	I236 I278 T280 L293 D296 I297 Y341	I236-F351 HydrophobicContact CG2-CE2 3.8Å; I236-F351 HydrophobicContact CG2-CZ 4.36Å; I278-F351 HydrophobicContact CG2-CE2 4.38Å; T280-F351 HydrophobicContact CG2-CD1 4.05Å; T280-F351 HydrophobicContact CG2-CD2 3.73Å; T280-F351 HydrophobicContact CG2-CE1 4.1Å; T280-F351 HydrophobicContact CG2-CE2 3.79Å; T280-F351 HydrophobicContact CG2-CG 3.86Å; T280-F351 HydrophobicContact CG2-CZ 3.96Å; L293-F351 HydrophobicContact CD1-CZ 3.98Å; D296-F351 HydrophobicContact CB-CE1 4.36Å; I297-F351 HydrophobicContact CG2-CE1 3.76Å; I297-F351 HydrophobicContact CG2-CE2 4.24Å; I297-F351 HydrophobicContact CG2-CZ 3.4Å; I297-F351 VanDerWaalsContact CG2-CZ 3.4Å; Y341-F351 AromaticContact CD1-CD2 3.65Å; Y341-F351 HydrophobicContact CD1-CD2 3.65Å; Y341-F351 HydrophobicContact CD1-CE2 4.4Å; Y341-F351 AromaticContact CD2-CD2 3.67Å; Y341-F351 HydrophobicContact CD2-CD2 3.67Å; Y341-F351 AromaticContact CD2-CE2 3.82Å; Y341-F351 HydrophobicContact CD2-CE2 3.82Å; Y341-F351 AromaticContact CE1-CD2 3.92Å; Y341-F351 HydrophobicContact CE1-CD2 3.92Å; Y341-F351 HydrophobicContact CE1-CE2 4.32Å; Y341-F351 AromaticContact CE2-CD2 3.94Å; Y341-F351 HydrophobicContact CE2-CD2 3.94Å; Y341-F351 AromaticContact CE2-CE2 3.73Å; Y341-F351 HydrophobicContact CE2-CE2 3.73Å; Y341-F351 AromaticContact CG-CD2 3.52Å; Y341-F351 HydrophobicContact CG-CD2 3.52Å; Y341-F351 HydrophobicContact CG-CE2 4.16Å
352	P	95.3	Very high	95.3	Very high	10 Å²	10	77.6 Å²	77.6	7%	0.065	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.1	9	2.1	38.4	-39.8	0	0	0	114.8	I236 I297 Q354	I236-P352 HydrophobicContact CG2-CB 3.63Å; I297-P352 HydrophobicContact CB-CB 4.15Å; I297-P352 HydrophobicContact CB-CG 3.92Å; I297-P352 HydrophobicContact CG2-CB 3.88Å; I297-P352 HydrophobicContact CG2-CG 4.15Å; P352-Q354 PolarHBondContact O-N 2.98Å
353	N	95.3	Very high	95.4	Very high	56 Å²	56	72.9 Å²	72.9	30%	0.299	38%	0.378	S	S	.	.	S	Bend	trans	-85.6	38	-167.4	-61.6	-41.2	0	0	0	113.8	L249 R252 S349 E350	L249-N353 HydrophobicContact CD2-CB 4.12Å; R252-N353 PolarHBondContact NH1-OD1 2.66Å; R252-N353 PolarHBondContact NH2-OD1 2.54Å; S349-N353 VanDerWaalsContact CB-O 3.24Å; S349-N353 WeakPolarHBondContact CB-O 3.3Å; E350-N353 WeakPolarHBondContact O-CA 3.46Å; E350-N353 PolarHBondContact O-N 3.23Å
354	Q	93	Very high	95.4	Very high	11 Å²	11	69 Å²	69	5%	0.051	35%	0.353	C	S	.	.	S	Bend	trans	-143.8	164.2	-179.4	59.4	169.9	-75.8	0	0	110	T237 Y341 K342 R348 S349 P352	T237-Q354 VanDerWaalsContact CG2-O 3.3Å; T237-Q354 WeakPolarHBondContact CG2-O 3.48Å; T237-Q354 PolarHBondContact OG1-O 3.44Å; Y341-Q354 HydrophobicContact CD1-CG 3.64Å; Y341-Q354 HydrophobicContact CE1-CG 4.22Å; K342-Q354 PolarHBondContact O-NE2 2.53Å; K342-Q354 PolarHBondContact O-OE1 3.5Å; R348-Q354 VanDerWaalsContact CD-OE1 3.24Å; R348-Q354 HydrophobicContact CG-CB 4.14Å; S349-Q354 PolarHBondContact O-NE2 2.68Å; P352-Q354 PolarHBondContact O-N 2.98Å
355	S	92	Very high	95.5	Very high	74 Å²	74	66.3 Å²	66.3	52%	0.517	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-85.3	126.8	170.7	-61.7	0	0	0	0	110.5
356	P	95.4	Very high	95.7	Very high	16 Å²	16	65 Å²	65	10%	0.104	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-74.6	158.9	177.8	30.6	-34	0	0	0	111.5	L233 T237 L339 I340 Y341 L358	L233-P356 HydrophobicContact CD1-CG 3.74Å; T237-P356 WeakPolarHBondContact OG1-CD 3.48Å; L339-P356 HydrophobicContact CB-CB 4.05Å; L339-P356 HydrophobicContact CB-CG 4.08Å; L339-P356 HydrophobicContact CD2-CG 4.21Å; I340-P356 CarbonylContact O-C 3.55Å; I340-P356 WeakPolarHBondContact O-CA 3.27Å; Y341-P356 HydrophobicContact CD1-CB 4.02Å; Y341-P356 HydrophobicContact CD2-CB 4.15Å; Y341-P356 HydrophobicContact CE1-CB 3.83Å; Y341-P356 HydrophobicContact CE1-CG 4.02Å; Y341-P356 HydrophobicContact CE2-CB 3.97Å; Y341-P356 HydrophobicContact CE2-CG 4.32Å; Y341-P356 HydrophobicContact CG-CB 4.17Å; P356-L358 HydrophobicContact CG-CD2 4.02Å
357	K	96.1	Very high	95.9	Very high	117 Å²	117	57.4 Å²	57.4	51%	0.509	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.1	156.6	175.6	-170.5	174.1	-161.6	0	107.8	I340	I340-K357 HydrophobicContact CB-CB 4.23Å; I340-K357 PolarHBondContact N-O 3.42Å; I340-K357 PolarHBondContact O-N 3.06Å
358	L	96.9	Very high	96.3	Very high	46 Å²	46	48.1 Å²	48.1	24%	0.241	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.1	177.4	-54.5	179.1	0	0	0	110	L233 I336 L339 P356 Y360	L233-L358 HydrophobicContact CD1-CD2 4.47Å; L233-L358 HydrophobicContact CD2-CD2 4.33Å; I336-L358 HydrophobicContact CD1-CD1 3.96Å; I336-L358 HydrophobicContact CD1-CD2 4.36Å; I336-L358 HydrophobicContact CG1-CD1 4.31Å; I336-L358 HydrophobicContact CG2-CD2 4.15Å; L339-L358 HydrophobicContact CD2-CD2 3.47Å; L339-L358 VanDerWaalsContact CD2-CD2 3.47Å; P356-L358 HydrophobicContact CG-CD2 4.02Å; L358-Y360 HydrophobicContact CB-CE1 4.41Å; L358-Y360 HydrophobicContact CB-CE2 4.06Å
359	E	98.1	Very high	96.6	Very high	63 Å²	63	45.7 Å²	45.7	29%	0.294	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.4	161.8	-67.5	-175.8	164.1	0	0	109.4	K337 R338 I340	K337-E359 PolarHBondContact N-O 2.8Å; R338-E359 HydrophobicContact CB-CB 4.2Å; R338-E359 PolarHBondContact N-O 2.87Å; R338-E359 IonicContact NH1-OE2 3.06Å; R338-E359 PolarHBondContact O-N 2.86Å; I340-E359 HydrophobicContact CD1-CG 3.63Å; I340-E359 WeakPolarHBondContact CD1-OE1 3.37Å; I340-E359 HydrophobicContact CG1-CG 4.49Å
360	Y	98.4	Very high	96.7	Very high	119 Å²	119	44.5 Å²	44.5	47%	0.467	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154.2	-170.3	-58.6	-87.8	0	0	0	111.8	L334 T335 I336 L358	L334-Y360 HydrophobicContact CB-CD1 4.04Å; L334-Y360 HydrophobicContact CB-CG 4.2Å; T335-Y360 CarbonylContact O-C 3.56Å; T335-Y360 WeakPolarHBondContact O-CA 3.34Å; I336-Y360 HydrophobicContact CG1-CD1 4.46Å; I336-Y360 HydrophobicContact CG1-CE1 4.12Å; L358-Y360 HydrophobicContact CB-CE1 4.41Å; L358-Y360 HydrophobicContact CB-CE2 4.06Å
361	E	98	Very high	96.9	Very high	51 Å²	51	38.2 Å²	38.2	24%	0.238	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-169.6	170.6	68.3	-177.5	163	0	0	110.9	T335 K337 N368	T335-E361 PolarHBondContact N-O 3.09Å; T335-E361 PolarHBondContact O-N 3.39Å; K337-E361 HydrophobicContact CB-CB 3.9Å; K337-E361 HydrophobicContact CB-CG 3.72Å; K337-E361 HydrophobicContact CD-CB 4.05Å; K337-E361 HydrophobicContact CD-CG 4.42Å; K337-E361 HydrophobicContact CG-CB 4.24Å; K337-E361 HydrophobicContact CG-CG 4.1Å; E361-N368 PolarHBondContact OE1-ND2 2.94Å
362	D	98.5	Very high	97	Very high	65 Å²	65	36.8 Å²	36.8	35%	0.348	19%	0.19	S	C	.	.	S	Bend	trans	-75.5	144.7	178.2	-161.7	13.4	0	0	0	113.3	G332 L369	G332-D362 VanDerWaalsContact CA-OD1 3.31Å; G332-D362 WeakPolarHBondContact CA-OD1 3.38Å; G332-D362 PolarHBondContact N-OD1 3.33Å; D362-L369 HydrophobicContact CB-CB 4.41Å; D362-L369 HydrophobicContact CB-CD2 4.34Å; D362-L369 WeakPolarHBondContact O-CB 3.23Å; D362-L369 PolarHBondContact O-N 2.73Å; D362-L369 WeakPolarHBondContact OD2-CD2 3.32Å
363	G	98.5	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	168.2	-157.3	179.5	0	0	0	0	0	110.9	S331 L333 T335 V367	S331-G363 CarbonylContact C-O 3.27Å; S331-G363 VanDerWaalsContact CA-O 3.32Å; S331-G363 WeakPolarHBondContact CA-O 3.08Å; L333-G363 WeakPolarHBondContact CB-O 3.32Å; L333-G363 PolarHBondContact N-O 3.38Å; L333-G363 VanDerWaalsContact N-O 3.12Å; L333-G363 PolarHBondContact O-N 3.29Å; T335-G363 VanDerWaalsContact OG1-C 3.24Å; T335-G363 WeakPolarHBondContact OG1-CA 3.29Å; T335-G363 PolarHBondContact OG1-N 2.98Å; G363-V367 WeakPolarHBondContact CA-O 3.42Å
364	D	98.1	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-103.4	11.9	-178.3	69.4	9.9	0	0	0	114.2	T335 T366 V367 L372 N390 H391	T335-D364 PolarHBondContact OG1-N 3.21Å; D364-T366 PolarHBondContact OD1-N 2.87Å; D364-V367 PolarHBondContact N-O 3.15Å; D364-V367 PolarHBondContact OD1-N 2.89Å; D364-L372 HydrophobicContact CB-CD1 3.83Å; D364-N390 CarbonylContact O-C 3.5Å; D364-N390 WeakPolarHBondContact O-CA 3.45Å; D364-H391 HydrophobicContact CB-CB 4.41Å; D364-H391 PolarHBondContact O-N 3.5Å; D364-H391 IonicContact OD1-CG 3.08Å; D364-H391 IonicContact OD1-ND1 3.75Å; D364-H391 IonicContact OD2-CE1 2.69Å; D364-H391 IonicContact OD2-CG 2.75Å; D364-H391 IonicContact OD2-ND1 2.71Å; D364-H391 PolarHBondContact OD2-ND1 2.91Å
365	G	96.9	Very high	97.4	Very high	21 Å²	21	37.5 Å²	37.5	22%	0.216	19%	0.191	C	C	.	.	S	Bend	trans	89.1	-4.9	-174.8	0	0	0	0	0	114.5	T335	T335-G365 WeakPolarHBondContact OG1-CA 3.46Å; T335-G365 PolarHBondContact OG1-N 3.34Å
366	T	97.3	Very high	97.6	Very high	34 Å²	34	36.1 Å²	36.1	21%	0.209	18%	0.18	C	C	.	.	S	Bend	trans	-133.1	-48.8	174.5	-62.1	0	0	0	0	111.5	K230 D364 H391	K230-T366 HydrophobicContact CD-CG2 4.15Å; D364-T366 PolarHBondContact OD1-N 2.87Å; T366-H391 WeakPolarHBondContact OG1-CB 3.36Å
367	V	98.5	Very high	97.6	Very high	2 Å²	2	43 Å²	43	1%	0.012	21%	0.208	C	C	.	.	S	Bend	trans	-112	131.2	-174.5	-174.2	0	0	0	0	109.6	P224 A228 G363 D364 L372 H391	P224-V367 HydrophobicContact CB-CG1 3.81Å; P224-V367 HydrophobicContact CB-CG2 3.92Å; A228-V367 HydrophobicContact CB-CB 4.48Å; A228-V367 HydrophobicContact CB-CG1 4.48Å; A228-V367 HydrophobicContact CB-CG2 4.26Å; G363-V367 WeakPolarHBondContact CA-O 3.42Å; D364-V367 PolarHBondContact N-O 3.15Å; D364-V367 PolarHBondContact OD1-N 2.89Å; V367-L372 HydrophobicContact CB-CD1 4.31Å; V367-L372 HydrophobicContact CB-CD2 3.86Å; V367-L372 HydrophobicContact CB-CG 3.89Å; V367-L372 HydrophobicContact CG1-CD2 3.84Å; V367-L372 HydrophobicContact CG1-CG 3.7Å; V367-L372 VanDerWaalsContact O-CD1 3.29Å; V367-L372 WeakPolarHBondContact O-CD1 3.06Å; V367-H391 VanDerWaalsContact CG2-CE1 3.49Å; V367-H391 WeakPolarHBondContact CG2-CE1 3.08Å
368	N	98.5	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-65.5	144.1	-178.1	-54.4	78.8	0	0	0	111	V229 W271 I336 E361 Q370 S371 L372	V229-N368 PolarHBondContact N-OD1 2.88Å; W271-N368 HydrophobicContact CH2-CB 3.76Å; W271-N368 VanDerWaalsContact CH2-CG 3.48Å; W271-N368 HydrophobicContact CZ2-CB 3.84Å; I336-N368 PolarHBondContact O-ND2 3.06Å; E361-N368 PolarHBondContact OE1-ND2 2.94Å; N368-Q370 VanDerWaalsContact C-N 3.26Å; N368-Q370 HydrophobicContact CB-CG 4.47Å; N368-Q370 PolarHBondContact O-N 2.93Å; N368-Q370 VanDerWaalsContact O-N 3.16Å; N368-S371 WeakPolarHBondContact O-CB 3.46Å; N368-S371 PolarHBondContact O-N 3.17Å; N368-L372 PolarHBondContact O-N 3.02Å; N368-L372 VanDerWaalsContact O-N 3.11Å
369	L	98.5	Very high	97.5	Very high	35 Å²	35	39.1 Å²	39.1	18%	0.183	20%	0.195	C	C	.	.	H	α-helix	trans	-53.4	-41.8	-175.5	177	59.9	0	0	0	112.9	Y329 D362 S371 L372 Q373	Y329-L369 HydrophobicContact CD2-CD1 4.1Å; Y329-L369 HydrophobicContact CE2-CD1 3.81Å; D362-L369 HydrophobicContact CB-CB 4.41Å; D362-L369 HydrophobicContact CB-CD2 4.34Å; D362-L369 WeakPolarHBondContact O-CB 3.23Å; D362-L369 PolarHBondContact O-N 2.73Å; D362-L369 WeakPolarHBondContact OD2-CD2 3.32Å; L369-S371 PolarHBondContact O-N 2.84Å; L369-L372 PolarHBondContact O-N 2.88Å; L369-Q373 HydrophobicContact CD1-CB 4.42Å; L369-Q373 WeakPolarHBondContact O-CB 3.37Å; L369-Q373 VanDerWaalsContact O-CG 3.24Å; L369-Q373 WeakPolarHBondContact O-CG 3.29Å; L369-Q373 PolarHBondContact O-N 2.91Å
370	Q	97.2	Very high	97.2	Very high	51 Å²	51	43.8 Å²	43.8	24%	0.238	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-33.2	179.9	65.6	179.1	-32	0	0	113.9	W271 N368	W271-Q370 VanDerWaalsContact CD2-NE2 3.32Å; W271-Q370 HydrophobicContact CH2-CG 4.44Å; W271-Q370 HydrophobicContact CZ2-CG 4.13Å; N368-Q370 VanDerWaalsContact C-N 3.26Å; N368-Q370 HydrophobicContact CB-CG 4.47Å; N368-Q370 PolarHBondContact O-N 2.93Å; N368-Q370 VanDerWaalsContact O-N 3.16Å
371	S	98.1	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-75.6	-45.3	176.7	177.7	0	0	0	0	110.7	P224 F225 G226 G227 N368 L369 Q373 H374	P224-S371 WeakPolarHBondContact CA-OG 3.32Å; F225-S371 PolarHBondContact N-OG 3.05Å; G226-S371 VanDerWaalsContact C-OG 3.28Å; G226-S371 WeakPolarHBondContact CA-OG 3.27Å; G226-S371 PolarHBondContact N-OG 2.59Å; G227-S371 PolarHBondContact N-OG 2.78Å; G227-S371 VanDerWaalsContact N-OG 3.16Å; G227-S371 WeakPolarHBondContact O-CB 3.35Å; G227-S371 PolarHBondContact O-OG 3.4Å; N368-S371 WeakPolarHBondContact O-CB 3.46Å; N368-S371 PolarHBondContact O-N 3.17Å; L369-S371 PolarHBondContact O-N 2.84Å; S371-Q373 PolarHBondContact O-N 3.19Å; S371-H374 WeakPolarHBondContact O-CB 3.43Å; S371-H374 PolarHBondContact O-N 2.92Å
372	L	98.5	Very high	97.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-47.8	177.9	-73.8	171.4	0	0	0	112.8	Y329 S330 D364 V367 N368 L369 H374	Y329-L372 HydrophobicContact CD2-CB 4.2Å; Y329-L372 HydrophobicContact CG-CB 4.29Å; S330-L372 WeakPolarHBondContact O-CD1 3.5Å; D364-L372 HydrophobicContact CB-CD1 3.83Å; V367-L372 HydrophobicContact CB-CD1 4.31Å; V367-L372 HydrophobicContact CB-CD2 3.86Å; V367-L372 HydrophobicContact CB-CG 3.89Å; V367-L372 HydrophobicContact CG1-CD2 3.84Å; V367-L372 HydrophobicContact CG1-CG 3.7Å; V367-L372 VanDerWaalsContact O-CD1 3.29Å; V367-L372 WeakPolarHBondContact O-CD1 3.06Å; N368-L372 PolarHBondContact O-N 3.02Å; N368-L372 VanDerWaalsContact O-N 3.11Å; L369-L372 PolarHBondContact O-N 2.88Å; L372-H374 PolarHBondContact O-N 3.4Å
373	Q	97.3	Very high	97.1	Very high	71 Å²	71	40.7 Å²	40.7	33%	0.332	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-80.7	2.4	-173.7	76.8	-169.4	-19.9	0	0	113.6	Y329 L369 S371 C375 T376	Y329-Q373 HydrophobicContact CE1-CB 4.38Å; Y329-Q373 HydrophobicContact CE2-CB 4.05Å; L369-Q373 HydrophobicContact CD1-CB 4.42Å; L369-Q373 WeakPolarHBondContact O-CB 3.37Å; L369-Q373 VanDerWaalsContact O-CG 3.24Å; L369-Q373 WeakPolarHBondContact O-CG 3.29Å; L369-Q373 PolarHBondContact O-N 2.91Å; S371-Q373 PolarHBondContact O-N 3.19Å; Q373-C375 PolarHBondContact O-N 3.12Å; Q373-T376 HydrophobicContact CB-CG2 4.1Å; Q373-T376 VanDerWaalsContact O-CB 3.29Å; Q373-T376 WeakPolarHBondContact O-CB 3.34Å; Q373-T376 VanDerWaalsContact O-CG2 3.25Å; Q373-T376 WeakPolarHBondContact O-CG2 3.21Å; Q373-T376 PolarHBondContact O-N 3.4Å; Q373-T376 PolarHBondContact O-OG1 2.93Å
374	H	97.1	Very high	97.1	Very high	20 Å²	20	42.1 Å²	42.1	9%	0.093	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-55.8	-37.6	-178.5	-175.7	83.3	0	0	0	112.2	F225 I270 S371 L372 T376 K377	F225-H374 HydrophobicContact CB-CB 3.69Å; F225-H374 HydrophobicContact CD2-CB 4.16Å; F225-H374 HydrophobicContact CG-CB 4.19Å; I270-H374 HydrophobicContact CD1-CB 4.31Å; I270-H374 WeakPolarHBondContact CD1-ND1 3.31Å; S371-H374 WeakPolarHBondContact O-CB 3.43Å; S371-H374 PolarHBondContact O-N 2.92Å; L372-H374 PolarHBondContact O-N 3.4Å; H374-T376 PolarHBondContact O-N 3.36Å; H374-T376 VanDerWaalsContact O-N 3.13Å; H374-K377 WeakPolarHBondContact O-CB 3.23Å; H374-K377 PolarHBondContact O-N 3.38Å
375	C	96.9	Very high	97.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63	-16.7	178	49.5	0	0	0	0	114.7	F225 C327 Q373 K377 W378	F225-C375 HydrophobicContact CD2-CB 4.18Å; F225-C375 HydrophobicContact CE2-CB 3.49Å; F225-C375 VanDerWaalsContact CE2-CB 3.49Å; F225-C375 WeakPolarHBondContact CE2-SG 3.1Å; F225-C375 HydrophobicContact CZ-CB 3.93Å; C327-C375 HydrophobicContact CB-CB 3.74Å; C327-C375 WeakPolarHBondContact CB-SG 3.4Å; C327-C375 VanDerWaalsContact SG-C 3.59Å; C327-C375 WeakPolarHBondContact SG-CB 3.41Å; C327-C375 CovalentContact SG-SG 2.02Å; C327-C375 PolarHBondContact SG-SG 3.13Å; Q373-C375 PolarHBondContact O-N 3.12Å; C375-K377 PolarHBondContact O-N 2.86Å; C375-W378 HydrophobicContact CB-CD2 3.87Å; C375-W378 HydrophobicContact CB-CE3 3.58Å; C375-W378 HydrophobicContact CB-CH2 3.81Å; C375-W378 HydrophobicContact CB-CZ2 4.06Å; C375-W378 HydrophobicContact CB-CZ3 3.55Å; C375-W378 WeakPolarHBondContact O-CB 3.33Å; C375-W378 PolarHBondContact O-N 3.4Å; C375-W378 VanDerWaalsContact O-N 3.14Å
376	T	96.7	Very high	97.1	Very high	46 Å²	46	45.1 Å²	45.1	28%	0.282	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-65	-17.8	175.7	65.6	0	0	0	0	113	Y329 Q373 H374 W378 I383	Y329-T376 HydrophobicContact CE1-CG2 3.66Å; Q373-T376 HydrophobicContact CB-CG2 4.1Å; Q373-T376 VanDerWaalsContact O-CB 3.29Å; Q373-T376 WeakPolarHBondContact O-CB 3.34Å; Q373-T376 VanDerWaalsContact O-CG2 3.25Å; Q373-T376 WeakPolarHBondContact O-CG2 3.21Å; Q373-T376 PolarHBondContact O-N 3.4Å; Q373-T376 PolarHBondContact O-OG1 2.93Å; H374-T376 PolarHBondContact O-N 3.36Å; H374-T376 VanDerWaalsContact O-N 3.13Å; T376-W378 VanDerWaalsContact C-N 3.3Å; T376-I383 HydrophobicContact CG2-CD1 3.83Å; T376-I383 HydrophobicContact CG2-CG1 4.22Å; T376-I383 HydrophobicContact CG2-CG2 4.44Å
377	K	96.2	Very high	97.1	Very high	161 Å²	161	48 Å²	48	70%	0.7	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-80.7	-9.5	177.3	-58.7	-179	-178.1	-177.6	0	113.2	H374 C375	H374-K377 WeakPolarHBondContact O-CB 3.23Å; H374-K377 PolarHBondContact O-N 3.38Å; C375-K377 PolarHBondContact O-N 2.86Å
378	W	96.1	Very high	97	Very high	15 Å²	15	52.6 Å²	52.6	6%	0.057	28%	0.276	C	S	.	.	S	Bend	trans	-74.1	144.1	-177.7	-64.6	-16.2	0	0	0	111.7	L200 Y218 F225 P319 V325 C375 T376 V381	L200-W378 HydrophobicContact CD1-CH2 4.37Å; L200-W378 HydrophobicContact CD2-CH2 3.99Å; L200-W378 HydrophobicContact CD2-CZ2 3.83Å; Y218-W378 HydrophobicContact CE1-CH2 4.21Å; Y218-W378 HydrophobicContact CE1-CZ3 4.1Å; F225-W378 HydrophobicContact CD1-CH2 4.45Å; F225-W378 HydrophobicContact CD1-CZ2 4.23Å; F225-W378 AromaticContact CE1-CH2 3.47Å; F225-W378 HydrophobicContact CE1-CH2 3.47Å; F225-W378 VanDerWaalsContact CE1-CH2 3.47Å; F225-W378 AromaticContact CE1-CZ2 3.65Å; F225-W378 HydrophobicContact CE1-CZ2 3.65Å; F225-W378 HydrophobicContact CE2-CH2 4.25Å; F225-W378 AromaticContact CZ-CH2 3.33Å; F225-W378 HydrophobicContact CZ-CH2 3.33Å; F225-W378 AromaticContact CZ-CZ2 3.85Å; F225-W378 HydrophobicContact CZ-CZ2 3.85Å; F225-W378 HydrophobicContact CZ-CZ3 4.17Å; P319-W378 HydrophobicContact CG-CE3 4.27Å; P319-W378 HydrophobicContact CG-CZ3 4.16Å; V325-W378 HydrophobicContact CG1-CE3 3.83Å; V325-W378 HydrophobicContact CG1-CZ3 3.95Å; C375-W378 HydrophobicContact CB-CD2 3.87Å; C375-W378 HydrophobicContact CB-CE3 3.58Å; C375-W378 HydrophobicContact CB-CH2 3.81Å; C375-W378 HydrophobicContact CB-CZ2 4.06Å; C375-W378 HydrophobicContact CB-CZ3 3.55Å; C375-W378 WeakPolarHBondContact O-CB 3.33Å; C375-W378 PolarHBondContact O-N 3.4Å; C375-W378 VanDerWaalsContact O-N 3.14Å; T376-W378 VanDerWaalsContact C-N 3.3Å; W378-V381 HydrophobicContact CB-CB 4.11Å; W378-V381 HydrophobicContact CB-CG1 4.34Å; W378-V381 HydrophobicContact CE3-CG2 4.37Å; W378-V381 WeakPolarHBondContact O-CG1 3.12Å
379	P	94	Very high	96.9	Very high	65 Å²	65	52.8 Å²	52.8	42%	0.422	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	140.2	176.9	28.5	-34.6	0	0	0	110.9	Y318 V381	Y318-P379 HydrophobicContact CD1-CG 4.17Å; Y318-P379 HydrophobicContact CD2-CG 3.54Å; Y318-P379 HydrophobicContact CE1-CG 4.13Å; Y318-P379 HydrophobicContact CE2-CG 3.46Å; Y318-P379 VanDerWaalsContact CE2-CG 3.46Å; Y318-P379 HydrophobicContact CG-CG 3.9Å; P379-V381 PolarHBondContact O-N 2.97Å; P379-V381 VanDerWaalsContact O-N 3.16Å
380	N	91.3	Very high	96.8	Very high	162 Å²	162	54.5 Å²	54.5	87%	0.866	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	27.7	176.3	-52.7	-36.3	0	0	0	114.5
381	V	97.4	Very high	96.8	Very high	25 Å²	25	52.6 Å²	52.6	15%	0.152	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132	177	69.4	0	0	0	0	111	V325 C327 W378 P379 I383	V325-V381 HydrophobicContact CG1-CG2 4.15Å; C327-V381 HydrophobicContact CB-CG2 3.5Å; C327-V381 VanDerWaalsContact CB-CG2 3.5Å; W378-V381 HydrophobicContact CB-CB 4.11Å; W378-V381 HydrophobicContact CB-CG1 4.34Å; W378-V381 HydrophobicContact CE3-CG2 4.37Å; W378-V381 WeakPolarHBondContact O-CG1 3.12Å; P379-V381 PolarHBondContact O-N 2.97Å; P379-V381 VanDerWaalsContact O-N 3.16Å; V381-I383 HydrophobicContact CG1-CG1 4.18Å
382	S	98.2	Very high	96.6	Very high	54 Å²	54	55.1 Å²	55.1	38%	0.378	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124	169.3	-70.9	0	0	0	0	109.3	V325 Y326 C327	V325-S382 PolarHBondContact O-N 2.95Å; Y326-S382 CarbonylContact C-O 3.55Å; Y326-S382 VanDerWaalsContact CA-O 3.31Å; Y326-S382 WeakPolarHBondContact CA-O 3.43Å; Y326-S382 VanDerWaalsContact CE1-CB 3.47Å; C327-S382 PolarHBondContact N-O 3.02Å
383	I	98.1	Very high	96.4	Very high	91 Å²	91	58.4 Å²	58.4	47%	0.467	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.5	-175.3	-59.1	168.4	0	0	0	109.8	Y329 T376 V381 H385	Y329-I383 HydrophobicContact CE1-CG2 3.8Å; T376-I383 HydrophobicContact CG2-CD1 3.83Å; T376-I383 HydrophobicContact CG2-CG1 4.22Å; T376-I383 HydrophobicContact CG2-CG2 4.44Å; V381-I383 HydrophobicContact CG1-CG1 4.18Å; I383-H385 HydrophobicContact CG2-CB 4.42Å
384	M	97.8	Very high	96.4	Very high	30 Å²	30	55 Å²	55	15%	0.148	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	97.5	168.5	-175.7	177	-169.2	0	0	109.1	C327 V328 Y329 L386 R399 F403	C327-M384 PolarHBondContact O-N 3.14Å; V328-M384 WeakPolarHBondContact CA-O 3.19Å; V328-M384 HydrophobicContact CB-CB 4.41Å; V328-M384 HydrophobicContact CG1-CB 4.18Å; V328-M384 HydrophobicContact CG1-CG 4.23Å; V328-M384 HydrophobicContact CG1-SD 4.17Å; V328-M384 HydrophobicContact CG2-CB 4.09Å; Y329-M384 PolarHBondContact N-O 2.78Å; Y329-M384 VanDerWaalsContact N-O 3.08Å; M384-L386 HydrophobicContact CE-CD1 4.02Å; M384-L386 HydrophobicContact CE-CD2 3.65Å; M384-L386 HydrophobicContact CE-CG 4.15Å; M384-L386 HydrophobicContact CG-CD2 4.17Å; M384-L386 HydrophobicContact CG-CG 4.17Å; M384-R399 HydrophobicContact CE-CB 4.25Å; M384-R399 WeakPolarHBondContact CE-O 3.28Å; M384-F403 HydrophobicContact CE-CB 3.52Å; M384-F403 HydrophobicContact CE-CD1 4.45Å; M384-F403 HydrophobicContact CE-CG 4.04Å; M384-F403 HydrophobicContact SD-CB 3.63Å; M384-F403 HydrophobicContact SD-CD1 3.5Å; M384-F403 WeakPolarHBondContact SD-CD1 3.22Å; M384-F403 HydrophobicContact SD-CD2 4.06Å; M384-F403 HydrophobicContact SD-CE1 4.2Å; M384-F403 HydrophobicContact SD-CG 3.42Å; M384-F403 WeakPolarHBondContact SD-CG 3.31Å
385	H	98.1	Very high	96.4	Very high	77 Å²	77	54.1 Å²	54.1	36%	0.356	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.7	178.5	179.3	-150.7	0	0	0	110.4	Y329 S331 I383	Y329-H385 AromaticContact CD2-CD2 3.78Å; Y329-H385 HydrophobicContact CE1-CB 4.42Å; Y329-H385 HydrophobicContact CE2-CB 4.33Å; Y329-H385 AromaticContact CE2-CD2 3.4Å; Y329-H385 VanDerWaalsContact CE2-CD2 3.4Å; Y329-H385 WeakPolarHBondContact CE2-CD2 3.36Å; Y329-H385 AromaticContact CE2-CG 3.83Å; Y329-H385 AromaticContact CE2-NE2 3.86Å; Y329-H385 AromaticContact CZ-CG 3.97Å; Y329-H385 WeakPolarHBondContact O-CA 3.23Å; S331-H385 WeakPolarHBondContact CB-NE2 3.38Å; S331-H385 PolarHBondContact OG-CE1 3.27Å; S331-H385 VanDerWaalsContact OG-CE1 3.28Å; S331-H385 PolarHBondContact OG-NE2 3.46Å; I383-H385 HydrophobicContact CG2-CB 4.42Å
386	L	97.8	Very high	96.4	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.037	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	94.9	-177.1	-64.7	-177.8	0	0	0	111.1	V328 Y329 S330 M384 I394 R399 F400	V328-L386 HydrophobicContact CG1-CD1 4.48Å; Y329-L386 PolarHBondContact O-N 2.88Å; S330-L386 VanDerWaalsContact CA-O 3.25Å; S330-L386 WeakPolarHBondContact CA-O 3.35Å; S330-L386 WeakPolarHBondContact CB-O 2.99Å; S330-L386 PolarHBondContact OG-O 3.43Å; M384-L386 HydrophobicContact CE-CD1 4.02Å; M384-L386 HydrophobicContact CE-CD2 3.65Å; M384-L386 HydrophobicContact CE-CG 4.15Å; M384-L386 HydrophobicContact CG-CD2 4.17Å; M384-L386 HydrophobicContact CG-CG 4.17Å; L386-I394 HydrophobicContact CD1-CD1 4.17Å; L386-I394 HydrophobicContact CD1-CG1 3.93Å; L386-R399 HydrophobicContact CD2-CB 3.8Å; L386-F400 HydrophobicContact CD1-CB 3.79Å
387	I	96.3	Very high	96.4	Very high	95 Å²	95	55.4 Å²	55.4	49%	0.487	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	140.7	177.6	-43.1	-179.9	0	0	0	110.1	R399	I387-R399 PolarHBondContact O-NH1 3.28Å; I387-R399 PolarHBondContact O-NH2 2.97Å
388	V	96.6	Very high	96.5	Very high	98 Å²	98	55.5 Å²	55.5	59%	0.594	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	41.6	177.3	-155.5	0	0	0	0	113.4	S331 L333	S331-V388 PolarHBondContact O-N 3Å; L333-V388 HydrophobicContact CD2-CG1 3.96Å
389	S	96.4	Very high	96.6	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.028	32%	0.322	C	S	.	.			trans	-116.7	114.5	172.1	-176.4	0	0	0	0	111.3	S330 I394	S330-S389 WeakPolarHBondContact CB-O 3.46Å; S330-S389 WeakPolarHBondContact OG-CA 3.17Å; S330-S389 PolarHBondContact OG-N 2.81Å; S330-S389 VanDerWaalsContact OG-N 3.1Å; S330-S389 PolarHBondContact OG-O 2.93Å; S389-I394 WeakPolarHBondContact OG-CA 3.24Å; S389-I394 VanDerWaalsContact OG-CB 3.32Å; S389-I394 WeakPolarHBondContact OG-CB 3.41Å; S389-I394 WeakPolarHBondContact OG-CG1 3.49Å; S389-I394 PolarHBondContact OG-N 2.83Å
390	N	96.2	Very high	96.8	Very high	70 Å²	70	56.5 Å²	56.5	37%	0.374	30%	0.302	S	S	.	.			trans	-66.9	152.9	-176.3	-170.4	-70.9	0	0	0	111.9	L333 D364 V392 P393 I394	L333-N390 HydrophobicContact CD1-CB 3.76Å; D364-N390 CarbonylContact O-C 3.5Å; D364-N390 WeakPolarHBondContact O-CA 3.45Å; N390-V392 VanDerWaalsContact C-N 3.33Å; N390-V392 PolarHBondContact O-N 3.18Å; N390-V392 VanDerWaalsContact O-N 3.13Å; N390-P393 HydrophobicContact CB-CB 4.24Å; N390-P393 HydrophobicContact CB-CG 3.85Å; N390-P393 WeakPolarHBondContact O-CD 3.37Å; N390-I394 PolarHBondContact O-N 3.21Å
391	H	96.9	Very high	97.1	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.051	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-38.7	-55.2	-173.1	-171.7	68.7	0	0	0	114	H192 S193 S222 D364 T366 V367 I394	H192-H391 AromaticContact CE1-NE2 3.88Å; H192-H391 PolarHBondContact NE2-O 2.61Å; S193-H391 WeakPolarHBondContact CB-NE2 3Å; S193-H391 PolarHBondContact OG-CE1 3.19Å; S193-H391 PolarHBondContact OG-NE2 3.06Å; S222-H391 PolarHBondContact O-CE1 3.17Å; S222-H391 VanDerWaalsContact O-CE1 3.23Å; D364-H391 HydrophobicContact CB-CB 4.41Å; D364-H391 PolarHBondContact O-N 3.5Å; D364-H391 IonicContact OD1-CG 3.08Å; D364-H391 IonicContact OD1-ND1 3.75Å; D364-H391 IonicContact OD2-CE1 2.69Å; D364-H391 IonicContact OD2-CG 2.75Å; D364-H391 IonicContact OD2-ND1 2.71Å; D364-H391 PolarHBondContact OD2-ND1 2.91Å; T366-H391 WeakPolarHBondContact OG1-CB 3.36Å; V367-H391 VanDerWaalsContact CG2-CE1 3.49Å; V367-H391 WeakPolarHBondContact CG2-CE1 3.08Å; H391-I394 WeakPolarHBondContact O-CG2 3.26Å
392	V	95	Very high	97.1	Very high	54 Å²	54	53.3 Å²	53.3	33%	0.327	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-46.3	178.4	173.4	0	0	0	0	112.5	Y130 N390 I394 L395	Y130-V392 HydrophobicContact CD2-CG1 3.63Å; Y130-V392 HydrophobicContact CE2-CG1 3.96Å; Y130-V392 HydrophobicContact CE2-CG2 4.29Å; N390-V392 VanDerWaalsContact C-N 3.33Å; N390-V392 PolarHBondContact O-N 3.18Å; N390-V392 VanDerWaalsContact O-N 3.13Å; V392-I394 PolarHBondContact O-N 2.8Å; V392-L395 PolarHBondContact O-N 3.12Å; V392-L395 VanDerWaalsContact O-N 3.09Å
393	P	94.6	Very high	97	Very high	69 Å²	69	52.6 Å²	52.6	45%	0.448	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-55.5	-16.5	177.4	-32.5	39.8	0	0	0	116.4	N390 L395 A396 D397	N390-P393 HydrophobicContact CB-CB 4.24Å; N390-P393 HydrophobicContact CB-CG 3.85Å; N390-P393 WeakPolarHBondContact O-CD 3.37Å; P393-L395 PolarHBondContact O-N 2.78Å; P393-A396 CarbonylContact O-C 3.4Å; P393-A396 WeakPolarHBondContact O-CA 3Å; P393-A396 WeakPolarHBondContact O-CB 3.38Å; P393-A396 PolarHBondContact O-N 3.42Å; P393-D397 PolarHBondContact O-N 3.22Å
394	I	97.2	Very high	97	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-53.7	-32.8	171.5	-159.9	171.3	0	0	0	113.1	V221 V328 L386 S389 N390 H391 V392 A396 D397 F400	V221-I394 HydrophobicContact CG1-CD1 4.14Å; V221-I394 HydrophobicContact CG1-CG1 4.48Å; V221-I394 HydrophobicContact CG1-CG2 3.77Å; V328-I394 HydrophobicContact CG1-CD1 4.24Å; L386-I394 HydrophobicContact CD1-CD1 4.17Å; L386-I394 HydrophobicContact CD1-CG1 3.93Å; S389-I394 WeakPolarHBondContact OG-CA 3.24Å; S389-I394 VanDerWaalsContact OG-CB 3.32Å; S389-I394 WeakPolarHBondContact OG-CB 3.41Å; S389-I394 WeakPolarHBondContact OG-CG1 3.49Å; S389-I394 PolarHBondContact OG-N 2.83Å; N390-I394 PolarHBondContact O-N 3.21Å; H391-I394 WeakPolarHBondContact O-CG2 3.26Å; V392-I394 PolarHBondContact O-N 2.8Å; I394-A396 PolarHBondContact O-N 3.23Å; I394-A396 VanDerWaalsContact O-N 3.16Å; I394-D397 WeakPolarHBondContact O-CB 3.24Å; I394-D397 PolarHBondContact O-N 3.49Å; I394-D397 VanDerWaalsContact O-N 3.09Å; I394-F400 WeakPolarHBondContact O-CB 3.41Å; I394-F400 WeakPolarHBondContact O-CD1 3.11Å
395	L	97.5	Very high	96.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-67.4	-13.2	176.8	-62.7	177.9	0	0	0	113.1	Y130 F131 H192 V221 V392 P393 F400 L401	Y130-L395 HydrophobicContact CD2-CD1 3.79Å; Y130-L395 HydrophobicContact CE1-CD1 4.44Å; Y130-L395 HydrophobicContact CE2-CD1 3.64Å; Y130-L395 HydrophobicContact CG-CD1 4.27Å; F131-L395 HydrophobicContact CD1-CD1 3.96Å; F131-L395 HydrophobicContact CD1-CD2 4.11Å; F131-L395 HydrophobicContact CE1-CD1 3.87Å; F131-L395 HydrophobicContact CE1-CD2 3.66Å; F131-L395 HydrophobicContact CE1-CG 4.39Å; F131-L395 HydrophobicContact CG-CD1 4.38Å; F131-L395 HydrophobicContact CZ-CD1 4.24Å; F131-L395 HydrophobicContact CZ-CD2 4.46Å; H192-L395 HydrophobicContact CB-CD1 4.38Å; H192-L395 HydrophobicContact CB-CD2 4.22Å; V221-L395 HydrophobicContact CG1-CD2 4.31Å; V392-L395 PolarHBondContact O-N 3.12Å; V392-L395 VanDerWaalsContact O-N 3.09Å; P393-L395 PolarHBondContact O-N 2.78Å; L395-F400 HydrophobicContact CD2-CE1 3.86Å; L395-F400 HydrophobicContact CD2-CZ 4.24Å; L395-L401 WeakPolarHBondContact O-CD2 3.41Å
396	A	96.1	Very high	96.6	Very high	47 Å²	47	50.9 Å²	50.9	39%	0.388	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-111.1	-3.1	175.8	0	0	0	0	0	113.1	P133 P393 I394 K398	P133-A396 HydrophobicContact CB-CB 3.89Å; P133-A396 HydrophobicContact CG-CB 3.72Å; P393-A396 CarbonylContact O-C 3.4Å; P393-A396 WeakPolarHBondContact O-CA 3Å; P393-A396 WeakPolarHBondContact O-CB 3.38Å; P393-A396 PolarHBondContact O-N 3.42Å; I394-A396 PolarHBondContact O-N 3.23Å; I394-A396 VanDerWaalsContact O-N 3.16Å; A396-K398 PolarHBondContact O-N 2.89Å
397	D	97.2	Very high	96.5	Very high	27 Å²	27	51.4 Å²	51.4	14%	0.144	27%	0.266	C	S	.	.			trans	-66.1	125.8	-178.9	-171.5	-55.4	0	0	0	109.8	P393 I394 R399 F400 L401	P393-D397 PolarHBondContact O-N 3.22Å; I394-D397 WeakPolarHBondContact O-CB 3.24Å; I394-D397 PolarHBondContact O-N 3.49Å; I394-D397 VanDerWaalsContact O-N 3.09Å; D397-R399 PolarHBondContact O-N 3Å; D397-R399 VanDerWaalsContact O-N 3.16Å; D397-R399 WeakPolarHBondContact OD1-CB 3.43Å; D397-R399 WeakPolarHBondContact OD1-CG 3.35Å; D397-R399 IonicContact OD1-CZ 3.36Å; D397-R399 PolarHBondContact OD1-N 3.07Å; D397-R399 IonicContact OD1-NE 3.24Å; D397-R399 PolarHBondContact OD1-NE 3.38Å; D397-R399 IonicContact OD1-NH2 3.47Å; D397-R399 IonicContact OD2-CZ 3.47Å; D397-R399 IonicContact OD2-NE 3.91Å; D397-R399 PolarHBondContact OD2-NE 3.23Å; D397-R399 IonicContact OD2-NH2 2.69Å; D397-R399 PolarHBondContact OD2-NH2 2.92Å; D397-F400 HydrophobicContact CB-CB 4.12Å; D397-F400 WeakPolarHBondContact O-CB 3.42Å; D397-F400 PolarHBondContact O-N 2.9Å; D397-L401 WeakPolarHBondContact O-CG 3.47Å; D397-L401 PolarHBondContact O-N 3.3Å
398	K	97.7	Very high	96.4	Very high	164 Å²	164	46.9 Å²	46.9	71%	0.713	24%	0.243	S	C	*	.	H	α-helix	trans	-56.7	-35.3	-176.9	-67.1	-177.2	-178.6	177.3	0	112.7	A396 L401 Q402	A396-K398 PolarHBondContact O-N 2.89Å; K398-L401 PolarHBondContact O-N 2.84Å; K398-Q402 WeakPolarHBondContact O-CB 3.41Å; K398-Q402 VanDerWaalsContact O-CG 3.24Å; K398-Q402 WeakPolarHBondContact O-CG 3.16Å; K398-Q402 PolarHBondContact O-N 2.94Å
399	R	97.8	Very high	96.1	Very high	101 Å²	101	43.2 Å²	43.2	38%	0.381	22%	0.221	S	C	.	.	H	α-helix	trans	-64.6	-46	178.2	-57.2	169.6	-71.2	179.4	-0.8	109.8	M384 L386 I387 D397 F403	M384-R399 HydrophobicContact CE-CB 4.25Å; M384-R399 WeakPolarHBondContact CE-O 3.28Å; L386-R399 HydrophobicContact CD2-CB 3.8Å; I387-R399 PolarHBondContact O-NH1 3.28Å; I387-R399 PolarHBondContact O-NH2 2.97Å; D397-R399 PolarHBondContact O-N 3Å; D397-R399 VanDerWaalsContact O-N 3.16Å; D397-R399 WeakPolarHBondContact OD1-CB 3.43Å; D397-R399 WeakPolarHBondContact OD1-CG 3.35Å; D397-R399 IonicContact OD1-CZ 3.36Å; D397-R399 PolarHBondContact OD1-N 3.07Å; D397-R399 IonicContact OD1-NE 3.24Å; D397-R399 PolarHBondContact OD1-NE 3.38Å; D397-R399 IonicContact OD1-NH2 3.47Å; D397-R399 IonicContact OD2-CZ 3.47Å; D397-R399 IonicContact OD2-NE 3.91Å; D397-R399 PolarHBondContact OD2-NE 3.23Å; D397-R399 IonicContact OD2-NH2 2.69Å; D397-R399 PolarHBondContact OD2-NH2 2.92Å; R399-F403 WeakPolarHBondContact O-CB 3.35Å; R399-F403 PolarHBondContact O-N 2.99Å
400	F	98.4	Very high	94.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-46.8	176.1	176.5	-113	0	0	0	112	L134 L190 V221 V328 L386 I394 L395 D397 Q402 F403 V404	L134-F400 HydrophobicContact CD2-CE1 4.3Å; L190-F400 HydrophobicContact CD1-CZ 3.94Å; V221-F400 HydrophobicContact CG1-CE2 4.22Å; V221-F400 HydrophobicContact CG1-CZ 4.2Å; V221-F400 HydrophobicContact CG2-CE2 3.72Å; V221-F400 HydrophobicContact CG2-CZ 3.72Å; V328-F400 HydrophobicContact CG1-CD2 3.93Å; V328-F400 HydrophobicContact CG1-CE2 4.13Å; V328-F400 HydrophobicContact CG2-CE2 4.47Å; L386-F400 HydrophobicContact CD1-CB 3.79Å; I394-F400 WeakPolarHBondContact O-CB 3.41Å; I394-F400 WeakPolarHBondContact O-CD1 3.11Å; L395-F400 HydrophobicContact CD2-CE1 3.86Å; L395-F400 HydrophobicContact CD2-CZ 4.24Å; D397-F400 HydrophobicContact CB-CB 4.12Å; D397-F400 WeakPolarHBondContact O-CB 3.42Å; D397-F400 PolarHBondContact O-N 2.9Å; F400-Q402 VanDerWaalsContact C-N 3.35Å; F400-Q402 PolarHBondContact O-N 3.12Å; F400-F403 HydrophobicContact CD2-CD1 4.3Å; F400-F403 WeakPolarHBondContact O-CB 3.49Å; F400-F403 PolarHBondContact O-N 3.32Å; F400-V404 HydrophobicContact CD1-CG2 4.49Å; F400-V404 HydrophobicContact CD2-CG2 4.07Å; F400-V404 HydrophobicContact CE1-CG2 4.08Å; F400-V404 HydrophobicContact CE2-CG2 3.62Å; F400-V404 HydrophobicContact CG-CG2 4.5Å; F400-V404 HydrophobicContact CZ-CG2 3.65Å; F400-V404 WeakPolarHBondContact O-CG2 3.42Å; F400-V404 PolarHBondContact O-N 2.9Å
401	L	98.1	Very high	92.6	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-45.9	178.6	-67.2	-177.8	0	0	0	112	L134 F137 L395 D397 K398 V404 Q405	L134-L401 HydrophobicContact CB-CD2 3.84Å; L134-L401 HydrophobicContact CD1-CD2 3.71Å; L134-L401 HydrophobicContact CG-CD2 4.4Å; F137-L401 HydrophobicContact CB-CD1 4.41Å; F137-L401 HydrophobicContact CB-CD2 4.28Å; F137-L401 HydrophobicContact CD1-CB 3.82Å; F137-L401 HydrophobicContact CD2-CB 4.39Å; F137-L401 HydrophobicContact CD2-CD1 4.25Å; F137-L401 HydrophobicContact CE1-CB 3.9Å; F137-L401 VanDerWaalsContact CE1-O 3.26Å; F137-L401 WeakPolarHBondContact CE1-O 3.34Å; F137-L401 HydrophobicContact CE2-CB 4.5Å; F137-L401 HydrophobicContact CG-CB 4.07Å; F137-L401 HydrophobicContact CG-CD1 4.28Å; F137-L401 HydrophobicContact CZ-CB 4.27Å; L395-L401 WeakPolarHBondContact O-CD2 3.41Å; D397-L401 WeakPolarHBondContact O-CG 3.47Å; D397-L401 PolarHBondContact O-N 3.3Å; K398-L401 PolarHBondContact O-N 2.84Å; L401-V404 PolarHBondContact O-N 2.92Å; L401-Q405 WeakPolarHBondContact O-CB 3.32Å; L401-Q405 PolarHBondContact O-N 2.82Å
402	Q	96.5	Very high	89.8	Confident	106 Å²	106	49.5 Å²	49.5	50%	0.495	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-43.9	176.3	-75.2	172.3	-8.5	0	0	112.1	F137 K398 F400 Q405 N406	F137-Q402 HydrophobicContact CZ-CG 4.42Å; K398-Q402 WeakPolarHBondContact O-CB 3.41Å; K398-Q402 VanDerWaalsContact O-CG 3.24Å; K398-Q402 WeakPolarHBondContact O-CG 3.16Å; K398-Q402 PolarHBondContact O-N 2.94Å; F400-Q402 VanDerWaalsContact C-N 3.35Å; F400-Q402 PolarHBondContact O-N 3.12Å; Q402-Q405 PolarHBondContact O-N 3.35Å; Q402-N406 WeakPolarHBondContact O-CB 3.38Å; Q402-N406 PolarHBondContact O-N 2.94Å; Q402-N406 PolarHBondContact O-ND2 3.31Å
403	F	96.7	Very high	86.9	Confident	40 Å²	40	52 Å²	52	18%	0.175	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-52	175	158.8	-101.4	0	0	0	111.6	I219 Y326 V328 M384 R399 F400 Q405 N406 H407	I219-F403 HydrophobicContact CD1-CE1 4.17Å; I219-F403 HydrophobicContact CD1-CZ 4.44Å; I219-F403 HydrophobicContact CG2-CE1 4.2Å; Y326-F403 AromaticContact CD1-CE2 3.64Å; Y326-F403 HydrophobicContact CD1-CE2 3.64Å; Y326-F403 AromaticContact CD1-CZ 3.39Å; Y326-F403 HydrophobicContact CD1-CZ 3.39Å; Y326-F403 HydrophobicContact CD2-CZ 4.36Å; Y326-F403 AromaticContact CE1-CE2 3.61Å; Y326-F403 HydrophobicContact CE1-CE2 3.61Å; Y326-F403 AromaticContact CE1-CZ 3.76Å; Y326-F403 HydrophobicContact CE1-CZ 3.76Å; Y326-F403 HydrophobicContact CG-CE2 4.41Å; Y326-F403 AromaticContact CG-CZ 3.73Å; Y326-F403 HydrophobicContact CG-CZ 3.73Å; V328-F403 HydrophobicContact CG2-CE1 4.26Å; M384-F403 HydrophobicContact CE-CB 3.52Å; M384-F403 HydrophobicContact CE-CD1 4.45Å; M384-F403 HydrophobicContact CE-CG 4.04Å; M384-F403 HydrophobicContact SD-CB 3.63Å; M384-F403 HydrophobicContact SD-CD1 3.5Å; M384-F403 WeakPolarHBondContact SD-CD1 3.22Å; M384-F403 HydrophobicContact SD-CD2 4.06Å; M384-F403 HydrophobicContact SD-CE1 4.2Å; M384-F403 HydrophobicContact SD-CG 3.42Å; M384-F403 WeakPolarHBondContact SD-CG 3.31Å; R399-F403 WeakPolarHBondContact O-CB 3.35Å; R399-F403 PolarHBondContact O-N 2.99Å; F400-F403 HydrophobicContact CD2-CD1 4.3Å; F400-F403 WeakPolarHBondContact O-CB 3.49Å; F400-F403 PolarHBondContact O-N 3.32Å; F403-Q405 VanDerWaalsContact C-N 3.33Å; F403-Q405 PolarHBondContact O-N 2.98Å; F403-N406 PolarHBondContact O-N 3.16Å; F403-H407 HydrophobicContact CE2-CB 4.4Å; F403-H407 VanDerWaalsContact O-CB 3.29Å; F403-H407 WeakPolarHBondContact O-CB 3.4Å; F403-H407 PolarHBondContact O-N 3.33Å
404	V	97.6	Very high	83.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-46.4	-178.2	178.3	0	0	0	0	109.8	I45 L134 L138 L190 F400 L401 H407 V408	I45-V404 HydrophobicContact CD1-CG1 4Å; L134-V404 HydrophobicContact CD1-CB 4.03Å; L134-V404 HydrophobicContact CD1-CG1 3.92Å; L134-V404 HydrophobicContact CD1-CG2 4.36Å; L138-V404 HydrophobicContact CD2-CG1 4.41Å; L190-V404 HydrophobicContact CD1-CG1 4.25Å; L190-V404 HydrophobicContact CD1-CG2 3.97Å; F400-V404 HydrophobicContact CD1-CG2 4.49Å; F400-V404 HydrophobicContact CD2-CG2 4.07Å; F400-V404 HydrophobicContact CE1-CG2 4.08Å; F400-V404 HydrophobicContact CE2-CG2 3.62Å; F400-V404 HydrophobicContact CG-CG2 4.5Å; F400-V404 HydrophobicContact CZ-CG2 3.65Å; F400-V404 WeakPolarHBondContact O-CG2 3.42Å; F400-V404 PolarHBondContact O-N 2.9Å; L401-V404 PolarHBondContact O-N 2.92Å; V404-H407 PolarHBondContact O-N 3.48Å; V404-V408 HydrophobicContact CG1-CG1 4.21Å; V404-V408 WeakPolarHBondContact O-CG1 3.49Å; V404-V408 VanDerWaalsContact O-CG2 3.28Å; V404-V408 WeakPolarHBondContact O-CG2 3.47Å; V404-V408 PolarHBondContact O-N 3.31Å
405	Q	94.9	Very high	80.6	Confident	51 Å²	51	59.8 Å²	59.8	24%	0.238	33%	0.325	C	S	.	.	H	α-helix	trans	-55.3	-55.5	177.1	179.4	177.1	36.8	0	0	111.7	F137 L401 Q402 F403 H407 V408 T409	F137-Q405 HydrophobicContact CD1-CB 4.11Å; F137-Q405 HydrophobicContact CE1-CB 3.63Å; F137-Q405 HydrophobicContact CE1-CG 4.18Å; L401-Q405 WeakPolarHBondContact O-CB 3.32Å; L401-Q405 PolarHBondContact O-N 2.82Å; Q402-Q405 PolarHBondContact O-N 3.35Å; F403-Q405 VanDerWaalsContact C-N 3.33Å; F403-Q405 PolarHBondContact O-N 2.98Å; Q405-H407 PolarHBondContact O-N 2.96Å; Q405-V408 WeakPolarHBondContact O-CG2 3.46Å; Q405-V408 PolarHBondContact O-N 2.86Å; Q405-T409 WeakPolarHBondContact O-CB 3.26Å; Q405-T409 PolarHBondContact O-N 3.41Å; Q405-T409 PolarHBondContact O-OG1 3.2Å
406	N	93.4	Very high	77.4	Confident	110 Å²	110	70 Å²	70	59%	0.588	38%	0.38	S	S	*	.	H	α-helix	trans	-60.3	-34.3	-179.2	-67.6	-10.9	0	0	0	112.3	Q402 F403 T409	Q402-N406 WeakPolarHBondContact O-CB 3.38Å; Q402-N406 PolarHBondContact O-N 2.94Å; Q402-N406 PolarHBondContact O-ND2 3.31Å; F403-N406 PolarHBondContact O-N 3.16Å; N406-T409 CarbonylContact O-C 3.59Å
407	H	95	Very high	76.4	Confident	19 Å²	19	71.2 Å²	71.2	9%	0.088	38%	0.38	C	S	.	.	H	α-helix	trans	-72.3	-40.7	178.8	-177	54.2	0	0	0	112.6	K216 S217 E324 Y326 F403 V404 Q405	K216-H407 PolarHBondContact NZ-O 3.16Å; S217-H407 WeakPolarHBondContact CB-NE2 3.46Å; S217-H407 PolarHBondContact OG-NE2 2.88Å; E324-H407 IonicContact OE2-CE1 3.35Å; E324-H407 PolarHBondContact OE2-CE1 3.04Å; E324-H407 IonicContact OE2-ND1 3.01Å; Y326-H407 AromaticContact CE2-CE1 3.48Å; Y326-H407 VanDerWaalsContact CE2-CE1 3.48Å; Y326-H407 WeakPolarHBondContact CE2-CE1 3.3Å; Y326-H407 AromaticContact CE2-ND1 4Å; Y326-H407 AromaticContact CE2-NE2 3.69Å; Y326-H407 AromaticContact CZ-CE1 3.76Å; Y326-H407 AromaticContact CZ-ND1 3.87Å; Y326-H407 PolarHBondContact OH-CE1 3.48Å; Y326-H407 PolarHBondContact OH-ND1 2.96Å; F403-H407 HydrophobicContact CE2-CB 4.4Å; F403-H407 VanDerWaalsContact O-CB 3.29Å; F403-H407 WeakPolarHBondContact O-CB 3.4Å; F403-H407 PolarHBondContact O-N 3.33Å; V404-H407 PolarHBondContact O-N 3.48Å; Q405-H407 PolarHBondContact O-N 2.96Å
408	V	95.4	Very high	75.3	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-82.6	-18.1	180	-57.6	0	0	0	0	113	S42 N43 I45 L138 F144 V188 V404 Q405	S42-V408 CarbonylContact C-O 3.46Å; S42-V408 WeakPolarHBondContact CA-O 3.48Å; N43-V408 PolarHBondContact N-O 3.09Å; I45-V408 HydrophobicContact CD1-CG1 4.25Å; L138-V408 HydrophobicContact CD2-CG2 3.74Å; F144-V408 HydrophobicContact CE1-CB 4.2Å; F144-V408 HydrophobicContact CE1-CG2 3.89Å; F144-V408 HydrophobicContact CE2-CG2 3.78Å; F144-V408 HydrophobicContact CZ-CB 3.68Å; F144-V408 HydrophobicContact CZ-CG2 3.17Å; V188-V408 HydrophobicContact CB-CG1 4.37Å; V188-V408 HydrophobicContact CG1-CG1 4.45Å; V188-V408 HydrophobicContact CG2-CG1 4.07Å; V404-V408 HydrophobicContact CG1-CG1 4.21Å; V404-V408 WeakPolarHBondContact O-CG1 3.49Å; V404-V408 VanDerWaalsContact O-CG2 3.28Å; V404-V408 WeakPolarHBondContact O-CG2 3.47Å; V404-V408 PolarHBondContact O-N 3.31Å; Q405-V408 WeakPolarHBondContact O-CG2 3.46Å; Q405-V408 PolarHBondContact O-N 2.86Å
409	T	90.3	Very high	74.1	Confident	21 Å²	21	68.4 Å²	68.4	13%	0.129	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-113.1	102	175.2	66	0	0	0	0	109.8	N141 F144 Q405 N406 S411	N141-T409 WeakPolarHBondContact ND2-CG2 3.5Å; F144-T409 HydrophobicContact CE2-CG2 3.83Å; F144-T409 HydrophobicContact CZ-CG2 4.38Å; Q405-T409 WeakPolarHBondContact O-CB 3.26Å; Q405-T409 PolarHBondContact O-N 3.41Å; Q405-T409 PolarHBondContact O-OG1 3.2Å; N406-T409 CarbonylContact O-C 3.59Å; T409-S411 PolarHBondContact O-N 2.52Å; T409-S411 VanDerWaalsContact O-N 3.15Å
410	T	69.3	Low	72.7	Confident	55 Å²	55	66.5 Å²	66.5	34%	0.337	37%	0.374	S	S	.	.			trans	-68.8	117	168.9	49.7	0	0	0	0	108.8	N40 I41 T412	N40-T410 WeakPolarHBondContact CA-O 3.32Å; N40-T410 WeakPolarHBondContact CB-O 3.42Å; N40-T410 PolarHBondContact OD1-O 3.17Å; I41-T410 WeakPolarHBondContact CB-OG1 3.44Å; I41-T410 PolarHBondContact O-N 2.96Å; I41-T410 PolarHBondContact O-OG1 2.99Å; T410-T412 PolarHBondContact O-N 3.02Å
411	S	50.2	Low	71.1	Confident	87 Å²	87	70.7 Å²	70.7	61%	0.608	40%	0.397	S	S	*	.			trans	-75.4	97.4	162.9	58	0	0	0	0	107.4	N40 T409 V413	N40-S411 WeakPolarHBondContact OD1-CA 3.46Å; T409-S411 PolarHBondContact O-N 2.52Å; T409-S411 VanDerWaalsContact O-N 3.15Å; S411-V413 PolarHBondContact O-N 3.37Å
412	T	38	Very low	69.3	Low	74 Å²	74	74.5 Å²	74.5	45%	0.454	42%	0.419	S	S	.	.			trans	-74.8	72	158.8	41.7	0	0	0	0	107.3	E39 N40 T410 S414	E39-T412 PolarHBondContact O-OG1 3.19Å; N40-T412 PolarHBondContact OD1-N 3.14Å; T410-T412 PolarHBondContact O-N 3.02Å; T412-S414 PolarHBondContact O-N 2.88Å
413	V	32.7	Very low	67.3	Low	106 Å²	106	72.3 Å²	72.3	64%	0.642	41%	0.414	S	S	*	.			trans	-74.9	87	151.4	-177.6	0	0	0	0	104	S411 N415	S411-V413 PolarHBondContact O-N 3.37Å; V413-N415 VanDerWaalsContact C-N 3.29Å; V413-N415 PolarHBondContact O-N 3.32Å
414	S	29.8	Very low	65.1	Low	80 Å²	80	74.8 Å²	74.8	56%	0.559	43%	0.432	S	S	*	.			trans	-59.2	106.9	153.5	49.6	0	0	0	0	105.1	T412 N416	T412-S414 PolarHBondContact O-N 2.88Å; S414-N416 PolarHBondContact O-N 3.03Å
415	N	30	Very low	62.4	Low	153 Å²	153	81 Å²	81	82%	0.818	47%	0.468	S	S	*	.			trans	-57.3	91.4	154.2	-75.6	-20.1	0	0	0	105.6	V413	V413-N415 VanDerWaalsContact C-N 3.29Å; V413-N415 PolarHBondContact O-N 3.32Å
416	N	29.8	Very low	59.4	Low	216 Å²	216	83.7 Å²	83.7	100%	1.155	49%	0.489	S	S	*	.			trans	-86.5	0	162.2	-83.1	-9.5	0	0	0	107.8	S414	S414-N416 PolarHBondContact O-N 3.03Å

Retrieved 416 of 416 residues in 1584.2 ms (Link to these results)

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