A0A087YRY8_POEFO Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A087YRY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 397 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	54.4	Low	57.1	Low	224 Å²	224	139.5 Å²	139.5	100%	1.103	68%	0.683	S	S	*	*				0	-15	0	-81.2	-171.8	-91.8	0	0	115.3
2	A	54.4	Low	58.3	Low	84 Å²	84	134.7 Å²	134.7	69%	0.694	67%	0.667	S	S	*	*	H	α-helix	trans	-80.2	-35.3	178.3	0	0	0	0	0	114.8	R5 W6	A2-R5 PolarHBondContact O-N 2.97Å; A2-W6 PolarHBondContact O-N 3.19Å
3	L	48.7	Very low	59.3	Low	143 Å²	143	130.5 Å²	130.5	75%	0.749	65%	0.654	S	S	*	*	H	α-helix	trans	-66.5	-38.5	-179.8	-114	88.9	0	0	0	113.4	R5 W6 N7	L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.37Å; L3-W6 PolarHBondContact O-N 3.37Å; L3-N7 PolarHBondContact O-N 3.45Å
4	L	49.4	Very low	59.8	Low	146 Å²	146	127.5 Å²	127.5	76%	0.764	64%	0.64	S	S	*	*	H	α-helix	trans	-66.9	-30.9	179.7	-144.3	81.2	0	0	0	112.1	L8	L4-L8 PolarHBondContact O-N 2.66Å
5	R	52.6	Low	60.4	Low	191 Å²	191	124.1 Å²	124.1	72%	0.721	63%	0.629	S	S	*	*	H	α-helix	trans	-78.8	-25.4	-179.2	-139	174.9	177.1	-170.7	-0.9	112.5	A2 L3 K9	A2-R5 PolarHBondContact O-N 2.97Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.37Å; R5-K9 WeakPolarHBondContact O-CG 3.48Å; R5-K9 PolarHBondContact O-N 3.29Å
6	W	52.3	Low	60.9	Low	186 Å²	186	123.8 Å²	123.8	71%	0.705	63%	0.626	S	S	*	*	H	α-helix	trans	-78.2	-42.5	176.4	-151.4	64.5	0	0	0	111.4	A2 L3 L8 K9 L10	A2-W6 PolarHBondContact O-N 3.19Å; L3-W6 PolarHBondContact O-N 3.37Å; W6-L8 VanDerWaalsContact C-N 3.35Å; W6-L8 PolarHBondContact O-N 3.47Å; W6-K9 PolarHBondContact O-N 3.43Å; W6-L10 WeakPolarHBondContact O-CB 3.45Å; W6-L10 PolarHBondContact O-N 2.91Å
7	N	56.1	Low	61.4	Low	89 Å²	89	121.2 Å²	121.2	48%	0.476	62%	0.618	S	S	.	*	H	α-helix	trans	-66.4	-34.9	176.7	-69.5	-6.5	0	0	0	112.7	L3 M11	L3-N7 PolarHBondContact O-N 3.45Å; N7-M11 WeakPolarHBondContact O-CB 3.49Å; N7-M11 WeakPolarHBondContact O-CG 3.06Å; N7-M11 PolarHBondContact O-N 3.28Å
8	L	63.4	Low	61.4	Low	118 Å²	118	119.9 Å²	119.9	62%	0.618	61%	0.613	S	S	*	*	H	α-helix	trans	-69.9	-40.5	176.1	-164.4	71.2	0	0	0	112	L4 W6 M11 V12	L4-L8 PolarHBondContact O-N 2.66Å; W6-L8 VanDerWaalsContact C-N 3.35Å; W6-L8 PolarHBondContact O-N 3.47Å; L8-M11 PolarHBondContact O-N 3.34Å; L8-V12 WeakPolarHBondContact O-CB 3.39Å; L8-V12 VanDerWaalsContact O-CG2 3.22Å; L8-V12 WeakPolarHBondContact O-CG2 3.24Å; L8-V12 PolarHBondContact O-N 3.04Å
9	K	63.6	Low	61.7	Low	148 Å²	148	118.9 Å²	118.9	64%	0.643	61%	0.608	S	S	*	*	H	α-helix	trans	-64.4	-43.2	174.6	-78.6	-176.1	175.6	-173.3	0	111.6	R5 W6 V12 T13	R5-K9 WeakPolarHBondContact O-CG 3.48Å; R5-K9 PolarHBondContact O-N 3.29Å; W6-K9 PolarHBondContact O-N 3.43Å; K9-V12 PolarHBondContact O-N 3.44Å; K9-T13 PolarHBondContact O-N 2.94Å; K9-T13 PolarHBondContact O-OG1 3.32Å
10	L	66.8	Low	61.9	Low	88 Å²	88	120.1 Å²	120.1	46%	0.461	61%	0.609	S	S	.	*	H	α-helix	trans	-62.8	-44.8	177.6	-160.9	85.7	0	0	0	111.6	W6 T13 L14	W6-L10 WeakPolarHBondContact O-CB 3.45Å; W6-L10 PolarHBondContact O-N 2.91Å; L10-T13 WeakPolarHBondContact CA-OG1 3.36Å; L10-T13 PolarHBondContact O-N 3.34Å; L10-T13 PolarHBondContact O-OG1 3.39Å; L10-L14 HydrophobicContact CD2-CD1 4.22Å; L10-L14 HydrophobicContact CG-CD1 4.1Å; L10-L14 WeakPolarHBondContact O-CB 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 2.76Å
11	M	66.1	Low	61.9	Low	118 Å²	118	118.2 Å²	118.2	58%	0.581	60%	0.6	S	S	*	*	H	α-helix	trans	-62	-41.3	174.9	-85.7	-122.7	83.4	0	0	112.5	N7 L8 L14 T15	N7-M11 WeakPolarHBondContact O-CB 3.49Å; N7-M11 WeakPolarHBondContact O-CG 3.06Å; N7-M11 PolarHBondContact O-N 3.28Å; L8-M11 PolarHBondContact O-N 3.34Å; M11-L14 PolarHBondContact O-N 2.7Å; M11-T15 WeakPolarHBondContact O-CB 3.3Å; M11-T15 PolarHBondContact O-N 3.33Å; M11-T15 PolarHBondContact O-OG1 2.94Å
12	V	71.8	Confident	62.2	Low	81 Å²	81	114.8 Å²	114.8	49%	0.491	58%	0.579	S	S	.	*	H	α-helix	trans	-67	-41	176.9	171.5	0	0	0	0	111.2	L8 K9 T15 M16	L8-V12 WeakPolarHBondContact O-CB 3.39Å; L8-V12 VanDerWaalsContact O-CG2 3.22Å; L8-V12 WeakPolarHBondContact O-CG2 3.24Å; L8-V12 PolarHBondContact O-N 3.04Å; K9-V12 PolarHBondContact O-N 3.44Å; V12-T15 VanDerWaalsContact CA-OG1 3.28Å; V12-T15 WeakPolarHBondContact CA-OG1 3.49Å; V12-T15 PolarHBondContact O-N 2.93Å; V12-T15 PolarHBondContact O-OG1 3.32Å; V12-M16 HydrophobicContact CG1-CG 4.43Å; V12-M16 WeakPolarHBondContact O-CB 3.33Å; V12-M16 WeakPolarHBondContact O-CG 3.25Å; V12-M16 PolarHBondContact O-N 2.88Å
13	T	71.3	Confident	62.6	Low	80 Å²	80	114.9 Å²	114.9	49%	0.491	57%	0.567	S	S	.	*	H	α-helix	trans	-66.3	-40.9	174.1	34.5	0	0	0	0	112.8	K9 L10 M16 V17	K9-T13 PolarHBondContact O-N 2.94Å; K9-T13 PolarHBondContact O-OG1 3.32Å; L10-T13 WeakPolarHBondContact CA-OG1 3.36Å; L10-T13 PolarHBondContact O-N 3.34Å; L10-T13 PolarHBondContact O-OG1 3.39Å; T13-M16 PolarHBondContact O-N 3.39Å; T13-V17 WeakPolarHBondContact O-CB 3.31Å; T13-V17 VanDerWaalsContact O-CG2 3.24Å; T13-V17 WeakPolarHBondContact O-CG2 3.29Å; T13-V17 PolarHBondContact O-N 3.27Å
14	L	66.5	Low	62.9	Low	89 Å²	89	113.4 Å²	113.4	47%	0.466	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-37.5	177.2	-83.6	159.8	0	0	0	112	L10 M11 N18	L10-L14 HydrophobicContact CD2-CD1 4.22Å; L10-L14 HydrophobicContact CG-CD1 4.1Å; L10-L14 WeakPolarHBondContact O-CB 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 2.76Å; M11-L14 PolarHBondContact O-N 2.7Å; L14-N18 WeakPolarHBondContact O-CB 3.48Å; L14-N18 PolarHBondContact O-N 3.24Å; L14-N18 PolarHBondContact O-ND2 3.38Å
15	T	68.7	Low	63	Low	77 Å²	77	110.8 Å²	110.8	47%	0.472	55%	0.545	S	S	.	.	H	α-helix	trans	-69.6	-39.5	174.5	37.9	0	0	0	0	111.7	M11 V12 N18 L19	M11-T15 WeakPolarHBondContact O-CB 3.3Å; M11-T15 PolarHBondContact O-N 3.33Å; M11-T15 PolarHBondContact O-OG1 2.94Å; V12-T15 VanDerWaalsContact CA-OG1 3.28Å; V12-T15 WeakPolarHBondContact CA-OG1 3.49Å; V12-T15 PolarHBondContact O-N 2.93Å; V12-T15 PolarHBondContact O-OG1 3.32Å; T15-N18 PolarHBondContact O-N 3.49Å; T15-L19 VanDerWaalsContact O-CB 3.31Å; T15-L19 WeakPolarHBondContact O-CB 3.15Å; T15-L19 PolarHBondContact O-N 3.23Å
16	M	68.7	Low	62.8	Low	118 Å²	118	105.1 Å²	105.1	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-68.2	-37.9	175.6	-69.5	-67	-84.2	0	0	112.8	V12 T13 L19 F20	V12-M16 HydrophobicContact CG1-CG 4.43Å; V12-M16 WeakPolarHBondContact O-CB 3.33Å; V12-M16 WeakPolarHBondContact O-CG 3.25Å; V12-M16 PolarHBondContact O-N 2.88Å; T13-M16 PolarHBondContact O-N 3.39Å; M16-L19 PolarHBondContact O-N 3.41Å; M16-F20 WeakPolarHBondContact O-CB 3.38Å; M16-F20 PolarHBondContact O-N 2.86Å
17	V	69.2	Low	62.7	Low	81 Å²	81	106.9 Å²	106.9	49%	0.491	54%	0.541	S	S	.	.	H	α-helix	trans	-65.8	-44.8	173.9	169.1	0	0	0	0	110.7	T13 L19 F20 I21	T13-V17 WeakPolarHBondContact O-CB 3.31Å; T13-V17 VanDerWaalsContact O-CG2 3.24Å; T13-V17 WeakPolarHBondContact O-CG2 3.29Å; T13-V17 PolarHBondContact O-N 3.27Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 2.92Å; V17-F20 PolarHBondContact O-N 2.79Å; V17-I21 HydrophobicContact CG1-CD1 3.78Å; V17-I21 HydrophobicContact CG1-CG1 4.45Å; V17-I21 WeakPolarHBondContact O-CB 3.45Å; V17-I21 VanDerWaalsContact O-CG1 3.25Å; V17-I21 WeakPolarHBondContact O-CG1 3.49Å; V17-I21 PolarHBondContact O-N 3.08Å
18	N	60.8	Low	62.2	Low	97 Å²	97	110.2 Å²	110.2	52%	0.519	56%	0.559	S	S	.	*	H	α-helix	trans	-64.6	-37	175.1	-80.2	-52.3	0	0	0	112.2	L14 T15 I21 F22	L14-N18 WeakPolarHBondContact O-CB 3.48Å; L14-N18 PolarHBondContact O-N 3.24Å; L14-N18 PolarHBondContact O-ND2 3.38Å; T15-N18 PolarHBondContact O-N 3.49Å; N18-I21 PolarHBondContact O-N 3.15Å; N18-F22 VanDerWaalsContact O-CB 3.23Å; N18-F22 WeakPolarHBondContact O-CB 3.36Å; N18-F22 PolarHBondContact O-N 3.45Å
19	L	68.4	Low	61.1	Low	101 Å²	101	107.2 Å²	107.2	53%	0.529	55%	0.548	S	S	.	.	H	α-helix	trans	-65.4	-39.9	174.5	-152.4	101.6	0	0	0	111.2	T15 M16 V17 F22 I23	T15-L19 VanDerWaalsContact O-CB 3.31Å; T15-L19 WeakPolarHBondContact O-CB 3.15Å; T15-L19 PolarHBondContact O-N 3.23Å; M16-L19 PolarHBondContact O-N 3.41Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 2.92Å; L19-F22 PolarHBondContact O-N 2.91Å; L19-I23 HydrophobicContact CD2-CD1 3.9Å; L19-I23 HydrophobicContact CG-CD1 4.25Å; L19-I23 WeakPolarHBondContact O-CB 3.46Å; L19-I23 WeakPolarHBondContact O-CD1 3.38Å; L19-I23 WeakPolarHBondContact O-CG1 3.45Å; L19-I23 PolarHBondContact O-N 3.37Å
20	F	64.6	Low	60.1	Low	143 Å²	143	106.3 Å²	106.3	63%	0.627	56%	0.56	S	S	*	*	H	α-helix	trans	-67.6	-41.2	176.8	-128.2	-89.1	0	0	0	112.3	M16 V17 F22 I23 L24	M16-F20 WeakPolarHBondContact O-CB 3.38Å; M16-F20 PolarHBondContact O-N 2.86Å; V17-F20 PolarHBondContact O-N 2.79Å; F20-F22 VanDerWaalsContact C-N 3.34Å; F20-I23 PolarHBondContact O-N 2.83Å; F20-L24 HydrophobicContact CD1-CD1 4.21Å; F20-L24 WeakPolarHBondContact O-CB 3.48Å; F20-L24 PolarHBondContact O-N 3.41Å
21	I	61.6	Low	58.8	Low	80 Å²	80	106.7 Å²	106.7	41%	0.41	57%	0.566	S	S	.	*	H	α-helix	trans	-63.4	-43	173.1	-68.9	168.6	0	0	0	109.7	V17 N18 L24 I25	V17-I21 HydrophobicContact CG1-CD1 3.78Å; V17-I21 HydrophobicContact CG1-CG1 4.45Å; V17-I21 WeakPolarHBondContact O-CB 3.45Å; V17-I21 VanDerWaalsContact O-CG1 3.25Å; V17-I21 WeakPolarHBondContact O-CG1 3.49Å; V17-I21 PolarHBondContact O-N 3.08Å; N18-I21 PolarHBondContact O-N 3.15Å; I21-L24 PolarHBondContact O-N 3.03Å; I21-I25 HydrophobicContact CG2-CD1 3.62Å; I21-I25 HydrophobicContact CG2-CG1 4.38Å; I21-I25 WeakPolarHBondContact O-CB 3.43Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.33Å
22	F	62.2	Low	58	Low	152 Å²	152	107.4 Å²	107.4	67%	0.667	57%	0.573	S	S	*	*	H	α-helix	trans	-64.6	-40.6	177.3	-162.8	-91.7	0	0	0	112	N18 L19 F20 I25 S26	N18-F22 VanDerWaalsContact O-CB 3.23Å; N18-F22 WeakPolarHBondContact O-CB 3.36Å; N18-F22 PolarHBondContact O-N 3.45Å; L19-F22 PolarHBondContact O-N 2.91Å; F20-F22 VanDerWaalsContact C-N 3.34Å; F22-I25 PolarHBondContact O-N 2.9Å; F22-S26 WeakPolarHBondContact O-CB 3.26Å; F22-S26 PolarHBondContact O-N 3.41Å
23	I	62.5	Low	56.7	Low	86 Å²	86	113.4 Å²	113.4	44%	0.441	59%	0.592	S	S	.	*	H	α-helix	trans	-67.3	-40	175	-69.3	164	0	0	0	111	L19 F20 S26 R27	L19-I23 HydrophobicContact CD2-CD1 3.9Å; L19-I23 HydrophobicContact CG-CD1 4.25Å; L19-I23 WeakPolarHBondContact O-CB 3.46Å; L19-I23 WeakPolarHBondContact O-CD1 3.38Å; L19-I23 WeakPolarHBondContact O-CG1 3.45Å; L19-I23 PolarHBondContact O-N 3.37Å; F20-I23 PolarHBondContact O-N 2.83Å; I23-S26 PolarHBondContact O-N 3.17Å; I23-R27 WeakPolarHBondContact O-CB 3.25Å; I23-R27 PolarHBondContact O-N 3.39Å
24	L	54.5	Low	55.7	Low	112 Å²	112	116.8 Å²	116.8	59%	0.586	61%	0.607	S	S	*	*	H	α-helix	trans	-64.5	-41.2	174.8	-87.4	159.6	0	0	0	112.3	F20 I21 N28	F20-L24 HydrophobicContact CD1-CD1 4.21Å; F20-L24 WeakPolarHBondContact O-CB 3.48Å; F20-L24 PolarHBondContact O-N 3.41Å; I21-L24 PolarHBondContact O-N 3.03Å; L24-N28 PolarHBondContact O-N 3.34Å
25	I	51.2	Low	54.8	Low	92 Å²	92	116 Å²	116	47%	0.472	62%	0.621	S	S	.	*	H	α-helix	trans	-69.3	-38.4	175.6	-66.7	168.6	0	0	0	110.6	I21 F22 S29	I21-I25 HydrophobicContact CG2-CD1 3.62Å; I21-I25 HydrophobicContact CG2-CG1 4.38Å; I21-I25 WeakPolarHBondContact O-CB 3.43Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.33Å; F22-I25 PolarHBondContact O-N 2.9Å; I25-S29 VanDerWaalsContact O-CB 3.27Å; I25-S29 WeakPolarHBondContact O-CB 3.31Å; I25-S29 PolarHBondContact O-N 2.94Å
26	S	49.3	Very low	53.6	Low	72 Å²	72	123 Å²	123	50%	0.503	64%	0.638	S	S	.	*	H	α-helix	trans	-66.9	-40.9	176.6	165.9	0	0	0	0	112.4	F22 I23 N28 S29	F22-S26 WeakPolarHBondContact O-CB 3.26Å; F22-S26 PolarHBondContact O-N 3.41Å; I23-S26 PolarHBondContact O-N 3.17Å; S26-N28 VanDerWaalsContact C-N 3.31Å; S26-N28 PolarHBondContact O-N 3.17Å; S26-S29 PolarHBondContact O-N 3.45Å
27	R	49.4	Very low	52.5	Low	223 Å²	223	127.9 Å²	127.9	84%	0.842	65%	0.65	S	S	*	*	H	α-helix	trans	-72.3	-22.3	-178.7	-131.2	175.6	86.6	167.1	6.5	113.9	I23	I23-R27 WeakPolarHBondContact O-CB 3.25Å; I23-R27 PolarHBondContact O-N 3.39Å
28	N	46	Very low	51.3	Low	159 Å²	159	132.5 Å²	132.5	85%	0.85	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	1.9	173.1	-98.2	9.8	0	0	0	113.5	L24 S26	L24-N28 PolarHBondContact O-N 3.34Å; S26-N28 VanDerWaalsContact C-N 3.31Å; S26-N28 PolarHBondContact O-N 3.17Å
29	S	40.5	Very low	50.7	Low	55 Å²	55	132.8 Å²	132.8	39%	0.385	67%	0.671	S	S	.	*			trans	-109.3	77.8	-177.1	171.3	0	0	0	0	109.8	I25 S26 T31	I25-S29 VanDerWaalsContact O-CB 3.27Å; I25-S29 WeakPolarHBondContact O-CB 3.31Å; I25-S29 PolarHBondContact O-N 2.94Å; S26-S29 PolarHBondContact O-N 3.45Å; S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 3.38Å; S29-T31 VanDerWaalsContact OG-CG2 3.27Å; S29-T31 WeakPolarHBondContact OG-CG2 3.48Å
30	S	43	Very low	49.8	Very low	128 Å²	128	134.8 Å²	134.8	90%	0.895	69%	0.687	S	S	*	*			trans	-73.3	88.7	161.3	72.8	0	0	0	0	108.3
31	T	39.6	Very low	49.3	Very low	97 Å²	97	133 Å²	133	60%	0.595	69%	0.688	S	S	*	*			trans	-89.7	123.8	175.2	38.3	0	0	0	0	110.1	S29	S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 3.38Å; S29-T31 VanDerWaalsContact OG-CG2 3.27Å; S29-T31 WeakPolarHBondContact OG-CG2 3.48Å
32	D	47.5	Very low	48.8	Very low	133 Å²	133	133.6 Å²	133.6	71%	0.711	70%	0.697	S	S	*	*			trans	-76.7	163.2	161.3	-152.8	-8.9	0	0	0	109.7	D34	D32-D34 PolarHBondContact O-N 3.22Å
33	K	45.7	Very low	48.7	Very low	207 Å²	207	133 Å²	133	90%	0.9	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	11	-161.5	-81.3	-176.2	175.7	179	0	118.9
34	D	49.1	Very low	48.2	Very low	150 Å²	150	134.5 Å²	134.5	80%	0.802	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	21.8	-170.9	-131.7	4.1	0	0	0	116	D32 R36	D32-D34 PolarHBondContact O-N 3.22Å; D34-R36 PolarHBondContact O-N 2.93Å
35	G	47.6	Very low	48.4	Very low	73 Å²	73	133 Å²	133	75%	0.753	71%	0.712	S	S	*	*			trans	65	3.7	156.9	0	0	0	0	0	118.5
36	R	44.1	Very low	48.6	Very low	223 Å²	223	136.7 Å²	136.7	84%	0.842	73%	0.725	S	S	*	*			trans	-97.1	123.9	173.3	-65.2	-176.7	-171.8	-176.6	2.8	110.2	D34 K38	D34-R36 PolarHBondContact O-N 2.93Å; R36-K38 PolarHBondContact O-N 3.16Å
37	R	46.6	Very low	48.9	Very low	221 Å²	221	143.7 Å²	143.7	83%	0.834	74%	0.74	S	S	*	*			trans	-57.9	108.4	165.6	-79	-176.3	178.1	176	0.2	107.2	P39	R37-P39 WeakPolarHBondContact O-CD 3.1Å; R37-P39 VanDerWaalsContact O-N 3.17Å
38	K	43.3	Very low	49.4	Very low	178 Å²	178	138 Å²	138	77%	0.774	73%	0.731	S	S	*	*			trans	-57.1	122.1	168.6	-85	-179.2	177.3	173.9	0	106.3	R36 T40	R36-K38 PolarHBondContact O-N 3.16Å; K38-T40 PolarHBondContact O-N 2.92Å; K38-T40 VanDerWaalsContact O-N 3.1Å
39	P	47.9	Very low	50.4	Low	104 Å²	104	140.1 Å²	140.1	68%	0.675	73%	0.732	S	S	*	*			trans	-52.6	125.5	164.9	19.9	-27.6	0	0	0	106.4	R37 V41	R37-P39 WeakPolarHBondContact O-CD 3.1Å; R37-P39 VanDerWaalsContact O-N 3.17Å; P39-V41 HydrophobicContact CB-CG2 4.14Å; P39-V41 HydrophobicContact CG-CG2 4.18Å; P39-V41 PolarHBondContact O-N 3.42Å
40	T	50.3	Low	52	Low	142 Å²	142	141.2 Å²	141.2	87%	0.871	73%	0.734	S	S	*	*			trans	-67.2	80.5	165.3	36.3	0	0	0	0	106.3	K38 P42	K38-T40 PolarHBondContact O-N 2.92Å; K38-T40 VanDerWaalsContact O-N 3.1Å; T40-P42 WeakPolarHBondContact O-CD 3.19Å
41	V	53.5	Low	53.7	Low	107 Å²	107	138.2 Å²	138.2	65%	0.648	72%	0.717	S	S	*	*			trans	-69.3	119.1	164.3	-176.6	0	0	0	0	104.1	P39 T43	P39-V41 HydrophobicContact CB-CG2 4.14Å; P39-V41 HydrophobicContact CG-CG2 4.18Å; P39-V41 PolarHBondContact O-N 3.42Å; V41-T43 PolarHBondContact O-N 3.06Å; V41-T43 VanDerWaalsContact O-N 3.11Å
42	P	51.1	Low	55.6	Low	91 Å²	91	135.5 Å²	135.5	59%	0.591	70%	0.701	S	S	*	*			trans	-47.8	124.7	169.1	-24.2	34	0	0	0	107.7	T40 D44	T40-P42 WeakPolarHBondContact O-CD 3.19Å; P42-D44 PolarHBondContact O-N 3.47Å
43	T	59.7	Low	57.2	Low	139 Å²	139	136.2 Å²	136.2	85%	0.853	69%	0.693	S	S	*	*	S	Bend	trans	-63	-21.3	178.5	45.3	0	0	0	0	111.4	V41	V41-T43 PolarHBondContact O-N 3.06Å; V41-T43 VanDerWaalsContact O-N 3.11Å
44	D	51.4	Low	59	Low	118 Å²	118	133.2 Å²	133.2	63%	0.631	68%	0.681	S	S	*	*	S	Bend	trans	-90.7	135.9	173.8	-58.4	-41.7	0	0	0	110.2	P42 F46	P42-D44 PolarHBondContact O-N 3.47Å; D44-F46 PolarHBondContact O-N 3.15Å
45	P	59.5	Low	61	Low	80 Å²	80	126.7 Å²	126.7	52%	0.519	65%	0.646	S	S	.	*			trans	-55.7	132.1	174.1	-6.8	11.6	0	0	0	110.1	W47 T48	P45-W47 PolarHBondContact O-N 3.27Å; P45-W47 VanDerWaalsContact O-N 3.09Å; P45-T48 HydrophobicContact CB-CG2 4.4Å; P45-T48 HydrophobicContact CG-CG2 3.89Å
46	F	56.4	Low	63.3	Low	170 Å²	170	123.7 Å²	123.7	75%	0.746	61%	0.612	S	S	*	*	S	Bend	trans	-54	-30.7	174.9	-175.7	-95.5	0	0	0	111.9	D44	D44-F46 PolarHBondContact O-N 3.15Å
47	W	55	Low	65.8	Low	219 Å²	219	113.5 Å²	113.5	83%	0.83	57%	0.574	S	S	*	*	S	Bend	trans	-116.6	99	168.5	-57.5	113.9	0	0	0	109.9	P45	P45-W47 PolarHBondContact O-N 3.27Å; P45-W47 VanDerWaalsContact O-N 3.09Å
48	T	59.9	Low	68.1	Low	105 Å²	105	104 Å²	104	64%	0.644	54%	0.54	S	S	*	.			trans	-85.6	142.3	167	20.6	0	0	0	0	109.6	P45 L50	P45-T48 HydrophobicContact CB-CG2 4.4Å; P45-T48 HydrophobicContact CG-CG2 3.89Å; T48-L50 PolarHBondContact O-N 2.89Å
49	K	66.3	Low	70.5	Confident	203 Å²	203	98.1 Å²	98.1	88%	0.883	51%	0.513	S	S	*	.			trans	-56.2	129.4	173.7	-170.2	175.8	-176.9	177.7	0	108.3	A51	K49-A51 PolarHBondContact O-N 2.98Å
50	L	73.8	Confident	72.6	Confident	78 Å²	78	94.6 Å²	94.6	41%	0.408	49%	0.487	S	S	.	.			trans	-62.2	102.7	-177	-169.7	76.4	0	0	0	109.9	T48 L66 P82 W84 L85	T48-L50 PolarHBondContact O-N 2.89Å; L50-L66 HydrophobicContact CD1-CD1 4.32Å; L50-L66 HydrophobicContact CD1-CD2 4.3Å; L50-L66 HydrophobicContact CD2-CD1 3.72Å; L50-L66 HydrophobicContact CD2-CD2 4.24Å; L50-L66 HydrophobicContact CG-CD1 4.46Å; L50-P82 HydrophobicContact CD2-CG 4.34Å; L50-W84 HydrophobicContact CD2-CH2 4.04Å; L50-W84 HydrophobicContact CD2-CZ2 3.65Å; L50-W84 HydrophobicContact CG-CH2 4.27Å; L50-W84 HydrophobicContact CG-CZ2 3.79Å; L50-L85 HydrophobicContact CD2-CD1 4.36Å
51	A	78.8	Confident	74.8	Confident	65 Å²	65	88.6 Å²	88.6	54%	0.537	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-98.9	142.5	177.6	0	0	0	0	0	110.4	K49 R53 Q62	K49-A51 PolarHBondContact O-N 2.98Å; A51-R53 PolarHBondContact O-N 3.26Å; A51-Q62 PolarHBondContact O-NE2 3.44Å
52	P	79.7	Confident	76.6	Confident	40 Å²	40	84.3 Å²	84.3	26%	0.26	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-63.8	130.9	174.1	25.6	-31.9	0	0	0	109.8	F54 W84	P52-F54 HydrophobicContact CB-CE2 4.34Å; P52-F54 HydrophobicContact CG-CE2 3.98Å; P52-F54 HydrophobicContact CG-CZ 4.23Å; P52-F54 WeakPolarHBondContact O-CD2 3.37Å; P52-F54 WeakPolarHBondContact O-CE2 3.2Å; P52-W84 HydrophobicContact CB-CD2 4.01Å; P52-W84 HydrophobicContact CB-CE3 4.19Å; P52-W84 HydrophobicContact CB-CG 4.36Å
53	R	82.5	Confident	78.4	Confident	148 Å²	148	80.6 Å²	80.6	56%	0.558	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-70.2	142.3	171.8	-71.6	-176.9	177.4	-175.5	-1.4	108.8	A51 N58 R59	A51-R53 PolarHBondContact O-N 3.26Å; R53-N58 HydrophobicContact CB-CB 4.05Å; R53-R59 WeakPolarHBondContact O-CA 3.35Å; R53-R59 WeakPolarHBondContact O-CB 3.42Å
54	F	82.6	Confident	79.9	Confident	144 Å²	144	75.5 Å²	75.5	63%	0.632	36%	0.364	S	S	*	.	S	Bend	trans	-119.4	144.5	166.9	-65.6	-86.7	0	0	0	107.3	P52 T296	P52-F54 HydrophobicContact CB-CE2 4.34Å; P52-F54 HydrophobicContact CG-CE2 3.98Å; P52-F54 HydrophobicContact CG-CZ 4.23Å; P52-F54 WeakPolarHBondContact O-CD2 3.37Å; P52-F54 WeakPolarHBondContact O-CE2 3.2Å; F54-T296 PolarHBondContact O-OG1 3.2Å
55	P	91.9	Very high	81.8	Confident	12 Å²	12	72.3 Å²	72.3	8%	0.078	35%	0.347	C	S	.	.	S	Bend	cis	-89.4	-167.3	10	36.9	-42.9	0	0	0	115.6	W57 N58 R59 E292 S293 M294 Y295 T296	P55-W57 PolarHBondContact O-N 3.33Å; P55-N58 VanDerWaalsContact CD-OD1 3.27Å; P55-N58 WeakPolarHBondContact CD-OD1 3.29Å; P55-N58 WeakPolarHBondContact CG-OD1 3.47Å; P55-N58 WeakPolarHBondContact O-CB 3.49Å; P55-N58 PolarHBondContact O-N 3.29Å; P55-N58 VanDerWaalsContact O-N 3.08Å; P55-R59 PolarHBondContact O-N 3.13Å; P55-E292 WeakPolarHBondContact CB-O 3.42Å; P55-E292 WeakPolarHBondContact CG-O 3.47Å; P55-S293 VanDerWaalsContact CB-O 3.29Å; P55-S293 WeakPolarHBondContact CB-O 3.48Å; P55-M294 WeakPolarHBondContact CG-O 3.36Å; P55-Y295 VanDerWaalsContact CG-N 3.28Å; P55-T296 WeakPolarHBondContact CD-OG1 3.49Å; P55-T296 HydrophobicContact CG-CG2 3.87Å; P55-T296 VanDerWaalsContact CG-N 3.34Å
56	Y	94.4	Very high	83.1	Confident	11 Å²	11	69.6 Å²	69.6	4%	0.043	33%	0.328	C	S	.	.	H	α-helix	trans	-49.5	-52.3	-168.6	-174.6	-105.2	0	0	0	114.7	N58 R59 Q60 V101 Q104 V105 L119 M122 S293	Y56-N58 VanDerWaalsContact C-N 3.35Å; Y56-N58 PolarHBondContact O-N 3.45Å; Y56-R59 WeakPolarHBondContact O-CB 3.47Å; Y56-R59 PolarHBondContact O-N 3.23Å; Y56-Q60 HydrophobicContact CD1-CG 4.17Å; Y56-Q60 HydrophobicContact CE1-CG 3.74Å; Y56-Q60 HydrophobicContact CE2-CG 4.08Å; Y56-Q60 VanDerWaalsContact CE2-NE2 3.28Å; Y56-Q60 WeakPolarHBondContact O-CG 3.36Å; Y56-Q60 PolarHBondContact O-N 2.98Å; Y56-V101 HydrophobicContact CE1-CG1 4.17Å; Y56-V101 HydrophobicContact CE2-CG1 4.41Å; Y56-V101 WeakPolarHBondContact OH-CG1 3.43Å; Y56-Q104 HydrophobicContact CD2-CB 4Å; Y56-Q104 HydrophobicContact CE2-CB 3.88Å; Y56-V105 HydrophobicContact CD1-CG2 4.08Å; Y56-V105 HydrophobicContact CD2-CG2 3.89Å; Y56-V105 HydrophobicContact CG-CG2 3.65Å; Y56-L119 HydrophobicContact CD1-CD2 3.58Å; Y56-L119 HydrophobicContact CE1-CD2 3.89Å; Y56-M122 HydrophobicContact CD1-SD 4.36Å; Y56-M122 HydrophobicContact CE1-SD 3.75Å; Y56-S293 PolarHBondContact N-O 3.43Å
57	W	96.1	Very high	84.4	Confident	9 Å²	9	66.5 Å²	66.5	3%	0.034	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-43.5	-179.7	-174.1	96.2	0	0	0	111.5	P55 R59 Q60 Q61 M294 Y295 V326 L327 Y328 M337	P55-W57 PolarHBondContact O-N 3.33Å; W57-R59 PolarHBondContact O-N 3.04Å; W57-Q60 PolarHBondContact O-N 2.6Å; W57-Q60 VanDerWaalsContact O-N 3.17Å; W57-Q61 HydrophobicContact CE3-CB 4.15Å; W57-Q61 HydrophobicContact CH2-CB 3.91Å; W57-Q61 HydrophobicContact CH2-CG 3.84Å; W57-Q61 HydrophobicContact CZ2-CB 4.37Å; W57-Q61 HydrophobicContact CZ2-CG 4.5Å; W57-Q61 HydrophobicContact CZ3-CB 3.78Å; W57-Q61 HydrophobicContact CZ3-CG 4.05Å; W57-Q61 PolarHBondContact O-N 3.03Å; W57-M294 WeakPolarHBondContact CB-O 3.43Å; W57-M294 PolarHBondContact N-O 3.39Å; W57-Y295 HydrophobicContact CB-CD2 4.49Å; W57-Y295 AromaticContact CD2-CD2 3.97Å; W57-Y295 HydrophobicContact CD2-CD2 3.97Å; W57-Y295 HydrophobicContact CD2-CE2 4.39Å; W57-Y295 AromaticContact CE3-CD2 3.44Å; W57-Y295 HydrophobicContact CE3-CD2 3.44Å; W57-Y295 VanDerWaalsContact CE3-CD2 3.44Å; W57-Y295 AromaticContact CE3-CE2 3.56Å; W57-Y295 HydrophobicContact CE3-CE2 3.56Å; W57-Y295 HydrophobicContact CG-CD2 4.42Å; W57-Y295 HydrophobicContact CH2-CE2 4.5Å; W57-Y295 HydrophobicContact CZ3-CD2 4.03Å; W57-Y295 AromaticContact CZ3-CE2 3.63Å; W57-Y295 HydrophobicContact CZ3-CE2 3.63Å; W57-V326 HydrophobicContact CZ2-CB 4.27Å; W57-V326 PolarHBondContact NE1-O 3.09Å; W57-L327 PolarHBondContact NE1-O 3.33Å; W57-Y328 AromaticContact CD1-CD2 3.86Å; W57-Y328 HydrophobicContact CD2-CD2 4.16Å; W57-Y328 HydrophobicContact CD2-CE2 4.46Å; W57-Y328 AromaticContact CE2-CD2 3.81Å; W57-Y328 HydrophobicContact CG-CD2 4.21Å; W57-Y328 HydrophobicContact CG-CE2 4.45Å; W57-Y328 HydrophobicContact CZ2-CD2 4.36Å; W57-Y328 AromaticContact NE1-CD2 3.61Å; W57-M337 HydrophobicContact CH2-CE 3.92Å; W57-M337 HydrophobicContact CH2-SD 3.49Å; W57-M337 WeakPolarHBondContact CH2-SD 3.39Å; W57-M337 HydrophobicContact CZ2-CE 4.09Å; W57-M337 HydrophobicContact CZ2-SD 3.42Å; W57-M337 WeakPolarHBondContact CZ2-SD 3.48Å; W57-M337 HydrophobicContact CZ3-CE 4.39Å; W57-M337 HydrophobicContact CZ3-SD 4.49Å
58	N	95.7	Very high	85.7	Confident	22 Å²	22	60.6 Å²	60.6	12%	0.118	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-36.9	178.3	-60	70	0	0	0	111.3	R53 P55 Y56 Q62 Y295 T296	R53-N58 HydrophobicContact CB-CB 4.05Å; P55-N58 VanDerWaalsContact CD-OD1 3.27Å; P55-N58 WeakPolarHBondContact CD-OD1 3.29Å; P55-N58 WeakPolarHBondContact CG-OD1 3.47Å; P55-N58 WeakPolarHBondContact O-CB 3.49Å; P55-N58 PolarHBondContact O-N 3.29Å; P55-N58 VanDerWaalsContact O-N 3.08Å; Y56-N58 VanDerWaalsContact C-N 3.35Å; Y56-N58 PolarHBondContact O-N 3.45Å; N58-Q62 WeakPolarHBondContact O-CB 3.26Å; N58-Q62 PolarHBondContact O-N 3.01Å; N58-Y295 WeakPolarHBondContact OD1-CA 3.41Å; N58-Y295 WeakPolarHBondContact OD1-CD2 3.5Å; N58-T296 PolarHBondContact ND2-O 3.23Å; N58-T296 PolarHBondContact OD1-N 2.73Å
59	R	93.2	Very high	86.7	Confident	54 Å²	54	58.1 Å²	58.1	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-50.9	172.7	-165.8	177.6	164.1	-176.4	-7.6	111.6	R53 P55 Y56 W57 Q61 Q62 I63	R53-R59 WeakPolarHBondContact O-CA 3.35Å; R53-R59 WeakPolarHBondContact O-CB 3.42Å; P55-R59 PolarHBondContact O-N 3.13Å; Y56-R59 WeakPolarHBondContact O-CB 3.47Å; Y56-R59 PolarHBondContact O-N 3.23Å; W57-R59 PolarHBondContact O-N 3.04Å; R59-Q61 VanDerWaalsContact C-N 3.31Å; R59-Q61 PolarHBondContact O-N 2.69Å; R59-Q62 WeakPolarHBondContact O-CB 3.41Å; R59-Q62 PolarHBondContact O-N 2.8Å; R59-Q62 VanDerWaalsContact O-N 3.14Å; R59-I63 HydrophobicContact CG-CD1 4.18Å; R59-I63 WeakPolarHBondContact O-CG1 3.42Å; R59-I63 PolarHBondContact O-N 2.98Å
60	Q	93.5	Very high	87.1	Confident	29 Å²	29	52.4 Å²	52.4	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-41.1	-179.3	-63.9	-50	-46.5	0	0	111.6	Y56 W57 I63 M64 V326	Y56-Q60 HydrophobicContact CD1-CG 4.17Å; Y56-Q60 HydrophobicContact CE1-CG 3.74Å; Y56-Q60 HydrophobicContact CE2-CG 4.08Å; Y56-Q60 VanDerWaalsContact CE2-NE2 3.28Å; Y56-Q60 WeakPolarHBondContact O-CG 3.36Å; Y56-Q60 PolarHBondContact O-N 2.98Å; W57-Q60 PolarHBondContact O-N 2.6Å; W57-Q60 VanDerWaalsContact O-N 3.17Å; Q60-I63 PolarHBondContact O-N 2.89Å; Q60-M64 WeakPolarHBondContact O-CB 3.22Å; Q60-M64 PolarHBondContact O-N 3.39Å; Q60-V326 HydrophobicContact CB-CG1 4.28Å; Q60-V326 HydrophobicContact CB-CG2 4.09Å
61	Q	94.9	Very high	87	Confident	17 Å²	17	54.7 Å²	54.7	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-39.2	175.4	-173.9	63.1	59.4	0	0	111.9	W57 R59 M64 D65 H324 V326	W57-Q61 HydrophobicContact CE3-CB 4.15Å; W57-Q61 HydrophobicContact CH2-CB 3.91Å; W57-Q61 HydrophobicContact CH2-CG 3.84Å; W57-Q61 HydrophobicContact CZ2-CB 4.37Å; W57-Q61 HydrophobicContact CZ2-CG 4.5Å; W57-Q61 HydrophobicContact CZ3-CB 3.78Å; W57-Q61 HydrophobicContact CZ3-CG 4.05Å; W57-Q61 PolarHBondContact O-N 3.03Å; R59-Q61 VanDerWaalsContact C-N 3.31Å; R59-Q61 PolarHBondContact O-N 2.69Å; Q61-M64 PolarHBondContact O-N 2.94Å; Q61-D65 PolarHBondContact NE2-OD1 3.09Å; Q61-D65 WeakPolarHBondContact O-CB 3.43Å; Q61-D65 PolarHBondContact O-N 2.68Å; Q61-H324 PolarHBondContact NE2-O 3.09Å; Q61-V326 HydrophobicContact CB-CG2 4.26Å
62	Q	92.1	Very high	86.5	Confident	17 Å²	17	54.3 Å²	54.3	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-43.3	175.5	-175.4	-173.5	21.5	0	0	111.8	A51 N58 R59 M64 D65 L66 W84	A51-Q62 PolarHBondContact O-NE2 3.44Å; N58-Q62 WeakPolarHBondContact O-CB 3.26Å; N58-Q62 PolarHBondContact O-N 3.01Å; R59-Q62 WeakPolarHBondContact O-CB 3.41Å; R59-Q62 PolarHBondContact O-N 2.8Å; R59-Q62 VanDerWaalsContact O-N 3.14Å; Q62-M64 VanDerWaalsContact C-N 3.35Å; Q62-D65 PolarHBondContact O-N 2.86Å; Q62-L66 HydrophobicContact CG-CD1 3.88Å; Q62-L66 WeakPolarHBondContact O-CD1 3.36Å; Q62-L66 VanDerWaalsContact O-CG 3.23Å; Q62-L66 WeakPolarHBondContact O-CG 3.49Å; Q62-L66 PolarHBondContact O-N 2.78Å; Q62-W84 HydrophobicContact CG-CH2 4.13Å; Q62-W84 HydrophobicContact CG-CZ3 4.41Å
63	I	89.4	Confident	85.6	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-50	175.5	-67.2	167.3	0	0	0	109.6	R59 Q60 D65 L66 Q67 W84 L85	R59-I63 HydrophobicContact CG-CD1 4.18Å; R59-I63 WeakPolarHBondContact O-CG1 3.42Å; R59-I63 PolarHBondContact O-N 2.98Å; Q60-I63 PolarHBondContact O-N 2.89Å; I63-D65 VanDerWaalsContact C-N 3.33Å; I63-D65 PolarHBondContact O-N 3.3Å; I63-L66 PolarHBondContact O-N 3.09Å; I63-Q67 HydrophobicContact CG2-CG 4.3Å; I63-Q67 WeakPolarHBondContact O-CB 3.32Å; I63-Q67 WeakPolarHBondContact O-CG 3.32Å; I63-Q67 PolarHBondContact O-N 3.44Å; I63-W84 HydrophobicContact CD1-CE3 4.41Å; I63-W84 HydrophobicContact CG1-CE3 3.94Å; I63-W84 HydrophobicContact CG1-CZ3 3.73Å; I63-L85 HydrophobicContact CB-CD2 4.4Å; I63-L85 HydrophobicContact CG1-CD2 4.18Å; I63-L85 HydrophobicContact CG2-CD2 4.36Å
64	M	90.6	Very high	84.5	Confident	32 Å²	32	55.7 Å²	55.7	16%	0.158	28%	0.282	C	S	.	.	H	α-helix	trans	-58.6	-42.9	177.7	-177.9	174.7	-78.4	0	0	112.3	Q60 Q61 Q62 L66 H68 H324 V325 V326	Q60-M64 WeakPolarHBondContact O-CB 3.22Å; Q60-M64 PolarHBondContact O-N 3.39Å; Q61-M64 PolarHBondContact O-N 2.94Å; Q62-M64 VanDerWaalsContact C-N 3.35Å; M64-L66 VanDerWaalsContact C-N 3.32Å; M64-L66 PolarHBondContact O-N 2.99Å; M64-H68 PolarHBondContact O-N 3.3Å; M64-H68 PolarHBondContact O-ND1 2.77Å; M64-H324 VanDerWaalsContact SD-O 3.4Å; M64-V325 PolarHBondContact SD-N 3.18Å; M64-V325 VanDerWaalsContact SD-N 3.45Å; M64-V326 HydrophobicContact CB-CG2 4.27Å; M64-V326 HydrophobicContact CE-CG2 3.64Å; M64-V326 HydrophobicContact SD-CG2 3.71Å
65	D	90.6	Very high	83.3	Confident	50 Å²	50	55.7 Å²	55.7	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-38.9	178.3	-72.5	-8.4	0	0	0	112.3	Q61 Q62 I63 N69 K341	Q61-D65 PolarHBondContact NE2-OD1 3.09Å; Q61-D65 WeakPolarHBondContact O-CB 3.43Å; Q61-D65 PolarHBondContact O-N 2.68Å; Q62-D65 PolarHBondContact O-N 2.86Å; I63-D65 VanDerWaalsContact C-N 3.33Å; I63-D65 PolarHBondContact O-N 3.3Å; D65-N69 WeakPolarHBondContact O-CB 3.49Å; D65-N69 PolarHBondContact O-N 2.69Å; D65-K341 IonicContact OD1-NZ 2.59Å; D65-K341 PolarHBondContact OD1-NZ 3.32Å; D65-K341 IonicContact OD2-NZ 3.52Å
66	L	87.3	Confident	81.6	Confident	23 Å²	23	57 Å²	57	12%	0.12	30%	0.298	C	S	.	.	H	α-helix	trans	-76.4	-40.7	-178.7	-68.8	164.5	0	0	0	112	L50 Q62 I63 M64 H68 N69 I72 W84 L85	L50-L66 HydrophobicContact CD1-CD1 4.32Å; L50-L66 HydrophobicContact CD1-CD2 4.3Å; L50-L66 HydrophobicContact CD2-CD1 3.72Å; L50-L66 HydrophobicContact CD2-CD2 4.24Å; L50-L66 HydrophobicContact CG-CD1 4.46Å; Q62-L66 HydrophobicContact CG-CD1 3.88Å; Q62-L66 WeakPolarHBondContact O-CD1 3.36Å; Q62-L66 VanDerWaalsContact O-CG 3.23Å; Q62-L66 WeakPolarHBondContact O-CG 3.49Å; Q62-L66 PolarHBondContact O-N 2.78Å; I63-L66 PolarHBondContact O-N 3.09Å; M64-L66 VanDerWaalsContact C-N 3.32Å; M64-L66 PolarHBondContact O-N 2.99Å; L66-H68 PolarHBondContact O-N 2.89Å; L66-N69 PolarHBondContact O-N 3.21Å; L66-I72 HydrophobicContact CD2-CD1 3.35Å; L66-W84 HydrophobicContact CD1-CH2 3.6Å; L66-W84 HydrophobicContact CD1-CZ2 4.48Å; L66-W84 HydrophobicContact CD1-CZ3 4.24Å; L66-L85 HydrophobicContact CB-CD2 3.97Å; L66-L85 HydrophobicContact CD1-CD1 4.33Å; L66-L85 HydrophobicContact CD1-CD2 3.58Å; L66-L85 HydrophobicContact CD1-CG 4.48Å; L66-L85 HydrophobicContact CG-CD2 4.44Å
67	Q	83.8	Confident	79.9	Confident	105 Å²	105	59.3 Å²	59.3	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-30.8	177.2	-74.7	175	-20.1	0	0	112.8	I63 T73	I63-Q67 HydrophobicContact CG2-CG 4.3Å; I63-Q67 WeakPolarHBondContact O-CB 3.32Å; I63-Q67 WeakPolarHBondContact O-CG 3.32Å; I63-Q67 PolarHBondContact O-N 3.44Å; Q67-T73 WeakPolarHBondContact O-CG2 3.19Å
68	H	83.1	Confident	77.8	Confident	96 Å²	96	65.6 Å²	65.6	44%	0.444	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	14.1	179.5	-58.6	86.7	0	0	0	112.7	M64 L66 P70 H324	M64-H68 PolarHBondContact O-N 3.3Å; M64-H68 PolarHBondContact O-ND1 2.77Å; L66-H68 PolarHBondContact O-N 2.89Å; H68-P70 WeakPolarHBondContact O-CD 3.49Å; H68-H324 AromaticContact CD2-CD2 3.54Å; H68-H324 AromaticContact CD2-NE2 3.64Å; H68-H324 AromaticContact CG-CD2 3.56Å
69	N	81	Confident	75.8	Confident	52 Å²	52	69 Å²	69	28%	0.278	38%	0.38	S	S	.	.			trans	-87.5	110.4	176.1	-172.3	-36.6	0	0	0	110.1	D65 L66 I71 I72 T73	D65-N69 WeakPolarHBondContact O-CB 3.49Å; D65-N69 PolarHBondContact O-N 2.69Å; L66-N69 PolarHBondContact O-N 3.21Å; N69-I71 PolarHBondContact O-N 3.13Å; N69-I71 VanDerWaalsContact O-N 3.15Å; N69-I71 WeakPolarHBondContact OD1-CB 3.47Å; N69-I71 PolarHBondContact OD1-N 3.45Å; N69-I72 HydrophobicContact CB-CB 4.23Å; N69-I72 HydrophobicContact CB-CD1 4.04Å; N69-I72 HydrophobicContact CB-CG1 4.16Å; N69-I72 PolarHBondContact O-N 3.29Å; N69-I72 VanDerWaalsContact O-N 3.11Å; N69-T73 WeakPolarHBondContact O-CG2 3.4Å; N69-T73 PolarHBondContact O-N 2.89Å; N69-T73 PolarHBondContact O-OG1 3.36Å; N69-T73 VanDerWaalsContact O-OG1 3.09Å
70	P	73.6	Confident	74.3	Confident	84 Å²	84	72.3 Å²	72.3	55%	0.545	40%	0.401	S	S	.	.	H	α-helix	trans	-60.2	-32.6	-174.8	24.3	-33.7	0	0	0	112.7	H68 T73 L74	H68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-T73 WeakPolarHBondContact CA-OG1 3.28Å; P70-T73 PolarHBondContact O-OG1 2.99Å; P70-L74 WeakPolarHBondContact O-CB 3.25Å; P70-L74 WeakPolarHBondContact O-CD1 3.33Å; P70-L74 VanDerWaalsContact O-CG 3.25Å; P70-L74 WeakPolarHBondContact O-CG 3.31Å; P70-L74 PolarHBondContact O-N 3.24Å
71	I	71.8	Confident	73.1	Confident	125 Å²	125	73.2 Å²	73.2	64%	0.641	41%	0.407	S	S	*	.	H	α-helix	trans	-68.7	-38.2	-178.3	-57.9	175.2	0	0	0	110.8	N69	N69-I71 PolarHBondContact O-N 3.13Å; N69-I71 VanDerWaalsContact O-N 3.15Å; N69-I71 WeakPolarHBondContact OD1-CB 3.47Å; N69-I71 PolarHBondContact OD1-N 3.45Å
72	I	68.3	Low	71.9	Confident	58 Å²	58	74.4 Å²	74.4	30%	0.297	42%	0.416	S	S	.	.	H	α-helix	trans	-79.1	-43.2	-178	-61	177	0	0	0	109.8	L66 N69 L74 N75 S76	L66-I72 HydrophobicContact CD2-CD1 3.35Å; N69-I72 HydrophobicContact CB-CB 4.23Å; N69-I72 HydrophobicContact CB-CD1 4.04Å; N69-I72 HydrophobicContact CB-CG1 4.16Å; N69-I72 PolarHBondContact O-N 3.29Å; N69-I72 VanDerWaalsContact O-N 3.11Å; I72-L74 VanDerWaalsContact C-N 3.28Å; I72-L74 PolarHBondContact O-N 3.27Å; I72-N75 PolarHBondContact O-N 2.84Å; I72-S76 WeakPolarHBondContact O-CB 3.14Å; I72-S76 PolarHBondContact O-N 2.88Å; I72-S76 PolarHBondContact O-OG 3.21Å
73	T	61.6	Low	71	Confident	77 Å²	77	80.8 Å²	80.8	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-66.7	-26.5	-178.8	53.5	0	0	0	0	113.6	Q67 N69 P70	Q67-T73 WeakPolarHBondContact O-CG2 3.19Å; N69-T73 WeakPolarHBondContact O-CG2 3.4Å; N69-T73 PolarHBondContact O-N 2.89Å; N69-T73 PolarHBondContact O-OG1 3.36Å; N69-T73 VanDerWaalsContact O-OG1 3.09Å; P70-T73 WeakPolarHBondContact CA-OG1 3.28Å; P70-T73 PolarHBondContact O-OG1 2.99Å
74	L	59.8	Low	70.3	Confident	140 Å²	140	82.2 Å²	82.2	73%	0.733	46%	0.455	S	S	*	.	H	α-helix	trans	-78.8	-27.6	178.5	-80.2	162.2	0	0	0	113.7	P70 I72	P70-L74 WeakPolarHBondContact O-CB 3.25Å; P70-L74 WeakPolarHBondContact O-CD1 3.33Å; P70-L74 VanDerWaalsContact O-CG 3.25Å; P70-L74 WeakPolarHBondContact O-CG 3.31Å; P70-L74 PolarHBondContact O-N 3.24Å; I72-L74 VanDerWaalsContact C-N 3.28Å; I72-L74 PolarHBondContact O-N 3.27Å
75	N	57.4	Low	69.5	Low	143 Å²	143	81 Å²	81	77%	0.765	45%	0.45	S	S	*	.	H	α-helix	trans	-114.4	-3.3	-168.6	-81	-3.1	0	0	0	114.6	I72	I72-N75 PolarHBondContact O-N 2.84Å
76	S	56.4	Low	68.4	Low	40 Å²	40	82.7 Å²	82.7	28%	0.28	46%	0.458	S	S	.	.			trans	-98.1	124.7	-178.3	46.9	0	0	0	0	111.8	I72	I72-S76 WeakPolarHBondContact O-CB 3.14Å; I72-S76 PolarHBondContact O-N 2.88Å; I72-S76 PolarHBondContact O-OG 3.21Å
77	S	56.8	Low	67.3	Low	59 Å²	59	83.5 Å²	83.5	41%	0.413	46%	0.463	S	S	.	.			trans	-71.2	144.5	158.5	83	0	0	0	0	108.1	A79 D80	S77-A79 PolarHBondContact O-N 3.13Å; S77-D80 PolarHBondContact O-N 3.21Å; S77-D80 PolarHBondContact OG-OD2 3.31Å
78	I	53.8	Low	66.2	Low	142 Å²	142	85.2 Å²	85.2	73%	0.728	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-54.6	-25	-179.4	-68.7	170.8	0	0	0	111.9
79	A	53.4	Low	65.3	Low	94 Å²	94	84.3 Å²	84.3	78%	0.777	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-74.3	-18.3	179.1	0	0	0	0	0	114.6	S77	S77-A79 PolarHBondContact O-N 3.13Å
80	D	62.2	Low	65.1	Low	123 Å²	123	84.3 Å²	84.3	66%	0.658	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-96.6	-5.1	-177.8	-62.8	-49.1	0	0	0	113.3	S77	S77-D80 PolarHBondContact O-N 3.21Å; S77-D80 PolarHBondContact OG-OD2 3.31Å
81	L	66.3	Low	65.3	Low	47 Å²	47	82 Å²	82	25%	0.246	47%	0.47	C	S	.	.	S	Bend	trans	-82	127.8	-179.7	-84.4	147.3	0	0	0	110.7	D83 L85	L81-D83 PolarHBondContact O-N 3.35Å; L81-L85 HydrophobicContact CD2-CD1 3.66Å
82	P	71.6	Confident	65.7	Low	43 Å²	43	82.1 Å²	82.1	28%	0.279	48%	0.482	S	S	.	.			trans	-53.3	135.9	176.4	-28.4	30.1	0	0	0	113.8	L50 W84 L85	L50-P82 HydrophobicContact CD2-CG 4.34Å; P82-W84 VanDerWaalsContact CB-CD1 3.48Å; P82-W84 HydrophobicContact CB-CD2 4.48Å; P82-W84 HydrophobicContact CB-CG 4.28Å; P82-W84 HydrophobicContact CB-CZ2 4.47Å; P82-W84 PolarHBondContact O-N 2.75Å; P82-L85 HydrophobicContact CB-CD1 4.2Å; P82-L85 HydrophobicContact CG-CD1 4.07Å; P82-L85 WeakPolarHBondContact O-CB 3.37Å; P82-L85 PolarHBondContact O-N 2.71Å
83	D	71.8	Confident	66.7	Low	151 Å²	151	82.5 Å²	82.5	81%	0.807	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-49.9	-32.7	-177.8	-62.5	-27.9	0	0	0	114.2	L81 L85 N86	L81-D83 PolarHBondContact O-N 3.35Å; D83-L85 PolarHBondContact O-N 2.87Å; D83-N86 PolarHBondContact O-N 3.08Å
84	W	76.2	Confident	68.1	Low	42 Å²	42	81.4 Å²	81.4	16%	0.159	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-71.3	-8.6	-179.1	64.3	-96.2	0	0	0	114.7	L50 P52 Q62 I63 L66 P82	L50-W84 HydrophobicContact CD2-CH2 4.04Å; L50-W84 HydrophobicContact CD2-CZ2 3.65Å; L50-W84 HydrophobicContact CG-CH2 4.27Å; L50-W84 HydrophobicContact CG-CZ2 3.79Å; P52-W84 HydrophobicContact CB-CD2 4.01Å; P52-W84 HydrophobicContact CB-CE3 4.19Å; P52-W84 HydrophobicContact CB-CG 4.36Å; Q62-W84 HydrophobicContact CG-CH2 4.13Å; Q62-W84 HydrophobicContact CG-CZ3 4.41Å; I63-W84 HydrophobicContact CD1-CE3 4.41Å; I63-W84 HydrophobicContact CG1-CE3 3.94Å; I63-W84 HydrophobicContact CG1-CZ3 3.73Å; L66-W84 HydrophobicContact CD1-CH2 3.6Å; L66-W84 HydrophobicContact CD1-CZ2 4.48Å; L66-W84 HydrophobicContact CD1-CZ3 4.24Å; P82-W84 VanDerWaalsContact CB-CD1 3.48Å; P82-W84 HydrophobicContact CB-CD2 4.48Å; P82-W84 HydrophobicContact CB-CG 4.28Å; P82-W84 HydrophobicContact CB-CZ2 4.47Å; P82-W84 PolarHBondContact O-N 2.75Å
85	L	73.5	Confident	69.7	Low	8 Å²	8	76.5 Å²	76.5	4%	0.042	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-86.1	-25	173.5	-75.4	159.8	0	0	0	113.2	L50 I63 L66 L81 P82 D83	L50-L85 HydrophobicContact CD2-CD1 4.36Å; I63-L85 HydrophobicContact CB-CD2 4.4Å; I63-L85 HydrophobicContact CG1-CD2 4.18Å; I63-L85 HydrophobicContact CG2-CD2 4.36Å; L66-L85 HydrophobicContact CB-CD2 3.97Å; L66-L85 HydrophobicContact CD1-CD1 4.33Å; L66-L85 HydrophobicContact CD1-CD2 3.58Å; L66-L85 HydrophobicContact CD1-CG 4.48Å; L66-L85 HydrophobicContact CG-CD2 4.44Å; L81-L85 HydrophobicContact CD2-CD1 3.66Å; P82-L85 HydrophobicContact CB-CD1 4.2Å; P82-L85 HydrophobicContact CG-CD1 4.07Å; P82-L85 WeakPolarHBondContact O-CB 3.37Å; P82-L85 PolarHBondContact O-N 2.71Å; D83-L85 PolarHBondContact O-N 2.87Å
86	N	66.1	Low	71.5	Confident	84 Å²	84	74.6 Å²	74.6	45%	0.449	44%	0.443	S	S	.	.			trans	-101.4	86.3	177.9	-77.9	-16.5	0	0	0	109.3	D83 T88	D83-N86 PolarHBondContact O-N 3.08Å; N86-T88 VanDerWaalsContact C-N 3.33Å; N86-T88 PolarHBondContact O-N 3.07Å; N86-T88 VanDerWaalsContact O-N 3.1Å
87	D	65	Low	73.3	Confident	40 Å²	40	74.6 Å²	74.6	21%	0.214	44%	0.442	C	S	.	.			trans	-83.3	82	170.7	-162	-14.6	0	0	0	109.8	S89 L90 Q104	D87-S89 PolarHBondContact O-N 3.32Å; D87-S89 VanDerWaalsContact O-N 3.12Å; D87-S89 WeakPolarHBondContact OD1-CB 3.35Å; D87-S89 PolarHBondContact OD1-N 3.14Å; D87-S89 PolarHBondContact OD1-OG 2.9Å; D87-L90 HydrophobicContact CB-CD1 3.88Å; D87-L90 HydrophobicContact CB-CG 3.9Å; D87-L90 PolarHBondContact O-N 3.27Å; D87-Q104 PolarHBondContact OD2-NE2 3.09Å; D87-Q104 VanDerWaalsContact OD2-NE2 3.09Å
88	T	60.3	Low	75	Confident	141 Å²	141	72 Å²	72	87%	0.865	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-7.9	177.2	51.8	0	0	0	0	113.3	N86	N86-T88 VanDerWaalsContact C-N 3.33Å; N86-T88 PolarHBondContact O-N 3.07Å; N86-T88 VanDerWaalsContact O-N 3.1Å
89	S	65.1	Low	76.9	Confident	78 Å²	78	69.9 Å²	69.9	55%	0.545	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.4	179.8	78.1	0	0	0	0	114.1	D87	D87-S89 PolarHBondContact O-N 3.32Å; D87-S89 VanDerWaalsContact O-N 3.12Å; D87-S89 WeakPolarHBondContact OD1-CB 3.35Å; D87-S89 PolarHBondContact OD1-N 3.14Å; D87-S89 PolarHBondContact OD1-OG 2.9Å
90	L	76.6	Confident	78.6	Confident	51 Å²	51	66.3 Å²	66.3	27%	0.267	39%	0.385	S	S	.	.	S	Bend	trans	-72.6	134	179.8	-73.7	176.5	0	0	0	111.7	D87 N98	D87-L90 HydrophobicContact CB-CD1 3.88Å; D87-L90 HydrophobicContact CB-CG 3.9Å; D87-L90 PolarHBondContact O-N 3.27Å; L90-N98 WeakPolarHBondContact CD2-ND2 3.31Å
91	P	77.6	Confident	80.1	Confident	37 Å²	37	60.4 Å²	60.4	24%	0.24	35%	0.353	C	S	.	.			trans	-55.3	143.1	169.5	-25.1	33	0	0	0	111.6	Q96 R123	P91-Q96 HydrophobicContact CB-CB 3.88Å; P91-Q96 HydrophobicContact CG-CB 4.23Å; P91-R123 PolarHBondContact O-NH1 3.48Å; P91-R123 PolarHBondContact O-NH2 3.32Å
92	S	81	Confident	81.4	Confident	127 Å²	127	64.7 Å²	64.7	89%	0.888	37%	0.366	S	S	*	.	S	Bend	trans	-63.5	-43.9	175.5	51.6	0	0	0	0	111.6	P94	S92-P94 WeakPolarHBondContact O-CD 2.97Å
93	D	89.2	Confident	82.3	Confident	65 Å²	65	68.5 Å²	68.5	35%	0.348	39%	0.389	S	S	.	.	S	Bend	trans	-79.2	115.2	169.6	172.2	12.5	0	0	0	109.9	C95 Q96	D93-C95 PolarHBondContact O-N 3.29Å; D93-C95 VanDerWaalsContact O-N 3.16Å; D93-C95 WeakPolarHBondContact OD1-CB 3.37Å; D93-C95 PolarHBondContact OD1-N 2.97Å; D93-Q96 HydrophobicContact CB-CG 3.88Å; D93-Q96 PolarHBondContact O-N 3.06Å; D93-Q96 PolarHBondContact OD2-NE2 3.49Å; D93-Q96 VanDerWaalsContact OD2-NE2 3.12Å
94	P	90.9	Very high	83.2	Confident	55 Å²	55	63.9 Å²	63.9	36%	0.357	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.5	-179.3	30.1	-36.3	0	0	0	113.6	S92 R123 C124	S92-P94 WeakPolarHBondContact O-CD 2.97Å; P94-R123 HydrophobicContact CB-CB 4.01Å; P94-R123 CarbonylContact O-C 3.55Å; P94-R123 WeakPolarHBondContact O-CB 2.96Å; P94-C124 PolarHBondContact O-N 3.27Å; P94-C124 VanDerWaalsContact O-N 3.15Å
95	C	93.4	Very high	84	Confident	37 Å²	37	62 Å²	62	25%	0.25	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.1	177	-65.3	0	0	0	0	114.3	D93 C124	D93-C95 PolarHBondContact O-N 3.29Å; D93-C95 VanDerWaalsContact O-N 3.16Å; D93-C95 WeakPolarHBondContact OD1-CB 3.37Å; D93-C95 PolarHBondContact OD1-N 2.97Å; C95-C124 HydrophobicContact CB-CB 3.81Å; C95-C124 WeakPolarHBondContact CB-SG 3.19Å; C95-C124 VanDerWaalsContact SG-CA 3.52Å; C95-C124 WeakPolarHBondContact SG-CB 3.46Å; C95-C124 CovalentContact SG-SG 2.04Å; C95-C124 PolarHBondContact SG-SG 2.98Å
96	Q	93.9	Very high	84.9	Confident	103 Å²	103	71.6 Å²	71.6	48%	0.481	40%	0.397	S	S	.	.	S	Bend	trans	-73.4	145.4	167.4	-64.7	-57.5	-43	0	0	111.4	P91 D93 N98	P91-Q96 HydrophobicContact CB-CB 3.88Å; P91-Q96 HydrophobicContact CG-CB 4.23Å; D93-Q96 HydrophobicContact CB-CG 3.88Å; D93-Q96 PolarHBondContact O-N 3.06Å; D93-Q96 PolarHBondContact OD2-NE2 3.49Å; D93-Q96 VanDerWaalsContact OD2-NE2 3.12Å; Q96-N98 PolarHBondContact O-N 3.28Å
97	P	94.3	Very high	86.3	Confident	40 Å²	40	70 Å²	70	26%	0.26	39%	0.389	S	S	.	.			trans	-62.6	124.1	-179.3	24.8	-32.8	0	0	0	111.3	L99 L120 Y121	P97-L99 HydrophobicContact CB-CD2 4.49Å; P97-L99 PolarHBondContact O-N 3.21Å; P97-L99 VanDerWaalsContact O-N 3.1Å; P97-L120 HydrophobicContact CB-CB 4.36Å; P97-L120 HydrophobicContact CB-CD2 4.31Å; P97-Y121 HydrophobicContact CB-CE1 3.85Å; P97-Y121 HydrophobicContact CG-CE1 4.35Å
98	N	93.3	Very high	87.7	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	38%	0.381	C	S	.	.			trans	-78.4	93.3	174.4	-179.6	7.9	0	0	0	110.8	L90 Q96 G100 V101 L120	L90-N98 WeakPolarHBondContact CD2-ND2 3.31Å; Q96-N98 PolarHBondContact O-N 3.28Å; N98-G100 PolarHBondContact O-N 2.04Å; N98-G100 PolarHBondContact OD1-N 2.72Å; N98-V101 HydrophobicContact CB-CG1 4.22Å; N98-V101 WeakPolarHBondContact O-CG1 3.37Å; N98-V101 VanDerWaalsContact O-CG2 3.23Å; N98-V101 WeakPolarHBondContact O-CG2 3.19Å; N98-V101 PolarHBondContact O-N 3.01Å; N98-L120 PolarHBondContact N-O 3.06Å; N98-L120 WeakPolarHBondContact O-CD2 3.42Å
99	L	92.5	Very high	89.4	Confident	98 Å²	98	68.4 Å²	68.4	51%	0.513	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18	-179.9	-58.6	-178.4	0	0	0	113.8	P97 V101 R102 L120	P97-L99 HydrophobicContact CB-CD2 4.49Å; P97-L99 PolarHBondContact O-N 3.21Å; P97-L99 VanDerWaalsContact O-N 3.1Å; L99-V101 PolarHBondContact O-N 2.91Å; L99-R102 WeakPolarHBondContact O-CB 3.48Å; L99-R102 WeakPolarHBondContact O-CG 3.35Å; L99-R102 PolarHBondContact O-N 3.16Å; L99-L120 HydrophobicContact CD2-CD2 4.14Å
100	G	90.4	Very high	90.8	Very high	18 Å²	18	68.6 Å²	68.6	19%	0.186	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.6	176.9	0	0	0	0	0	113.4	N98 R102 T103 Q104	N98-G100 PolarHBondContact O-N 2.04Å; N98-G100 PolarHBondContact OD1-N 2.72Å; G100-R102 PolarHBondContact O-N 3.28Å; G100-R102 VanDerWaalsContact O-N 3.1Å; G100-T103 PolarHBondContact O-N 3.46Å; G100-T103 VanDerWaalsContact O-N 3.11Å; G100-T103 PolarHBondContact O-OG1 2.64Å; G100-Q104 VanDerWaalsContact O-CG 3.3Å; G100-Q104 WeakPolarHBondContact O-CG 3.21Å; G100-Q104 PolarHBondContact O-N 3.3Å
101	V	92.6	Very high	91.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-24.1	177.5	-54.2	0	0	0	0	113.2	Y56 N98 L99 T103 Q104 V105 Y108 L119 L120	Y56-V101 HydrophobicContact CE1-CG1 4.17Å; Y56-V101 HydrophobicContact CE2-CG1 4.41Å; Y56-V101 WeakPolarHBondContact OH-CG1 3.43Å; N98-V101 HydrophobicContact CB-CG1 4.22Å; N98-V101 WeakPolarHBondContact O-CG1 3.37Å; N98-V101 VanDerWaalsContact O-CG2 3.23Å; N98-V101 WeakPolarHBondContact O-CG2 3.19Å; N98-V101 PolarHBondContact O-N 3.01Å; L99-V101 PolarHBondContact O-N 2.91Å; V101-T103 PolarHBondContact O-N 2.74Å; V101-Q104 PolarHBondContact O-N 2.64Å; V101-V105 HydrophobicContact CB-CG2 4.39Å; V101-V105 WeakPolarHBondContact O-CB 3.3Å; V101-V105 WeakPolarHBondContact O-CG2 3.31Å; V101-V105 PolarHBondContact O-N 3.31Å; V101-Y108 HydrophobicContact CG2-CD2 4.16Å; V101-Y108 HydrophobicContact CG2-CE2 3.63Å; V101-L119 HydrophobicContact CB-CB 4.31Å; V101-L119 HydrophobicContact CG1-CB 4.46Å; V101-L119 WeakPolarHBondContact CG1-O 3.37Å; V101-L119 HydrophobicContact CG2-CB 4.15Å; V101-L120 HydrophobicContact CG2-CD2 3.86Å; V101-L120 HydrophobicContact CG2-CG 4.32Å
102	R	93.2	Very high	92.6	Very high	136 Å²	136	67.7 Å²	67.7	51%	0.513	37%	0.372	S	S	.	.	H	α-helix	trans	-63.7	-27.3	178.8	-61.6	-175.2	177.1	-175.7	2	112.8	L99 G100 Y108	L99-R102 WeakPolarHBondContact O-CB 3.48Å; L99-R102 WeakPolarHBondContact O-CG 3.35Å; L99-R102 PolarHBondContact O-N 3.16Å; G100-R102 PolarHBondContact O-N 3.28Å; G100-R102 VanDerWaalsContact O-N 3.1Å; R102-Y108 HydrophobicContact CB-CD1 4.21Å; R102-Y108 HydrophobicContact CB-CE1 4.33Å; R102-Y108 HydrophobicContact CG-CD1 4Å; R102-Y108 HydrophobicContact CG-CE1 3.61Å
103	T	91.3	Very high	93.2	Very high	124 Å²	124	67 Å²	67	76%	0.761	36%	0.358	S	S	*	.	H	α-helix	trans	-104.6	-31.2	178.1	60.5	0	0	0	0	111.9	G100 V101	G100-T103 PolarHBondContact O-N 3.46Å; G100-T103 VanDerWaalsContact O-N 3.11Å; G100-T103 PolarHBondContact O-OG1 2.64Å; V101-T103 PolarHBondContact O-N 2.74Å
104	Q	90.8	Very high	93.4	Very high	53 Å²	53	68.5 Å²	68.5	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-76	-24.5	-178.2	-65.7	173	-14	0	0	113.1	Y56 D87 G100 V101	Y56-Q104 HydrophobicContact CD2-CB 4Å; Y56-Q104 HydrophobicContact CE2-CB 3.88Å; D87-Q104 PolarHBondContact OD2-NE2 3.09Å; D87-Q104 VanDerWaalsContact OD2-NE2 3.09Å; G100-Q104 VanDerWaalsContact O-CG 3.3Å; G100-Q104 WeakPolarHBondContact O-CG 3.21Å; G100-Q104 PolarHBondContact O-N 3.3Å; V101-Q104 PolarHBondContact O-N 2.64Å
105	V	94.1	Very high	93.7	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.024	34%	0.342	C	S	.	.	S	Bend	trans	-100.7	113.9	178.1	-178.5	0	0	0	0	110.1	Y56 V101 D107 Y108 L111 L119	Y56-V105 HydrophobicContact CD1-CG2 4.08Å; Y56-V105 HydrophobicContact CD2-CG2 3.89Å; Y56-V105 HydrophobicContact CG-CG2 3.65Å; V101-V105 HydrophobicContact CB-CG2 4.39Å; V101-V105 WeakPolarHBondContact O-CB 3.3Å; V101-V105 WeakPolarHBondContact O-CG2 3.31Å; V101-V105 PolarHBondContact O-N 3.31Å; V105-D107 VanDerWaalsContact C-N 3.27Å; V105-D107 PolarHBondContact O-N 3.42Å; V105-D107 VanDerWaalsContact O-N 3.08Å; V105-Y108 HydrophobicContact CB-CD2 4.49Å; V105-Y108 WeakPolarHBondContact O-CB 3.31Å; V105-Y108 PolarHBondContact O-N 3.3Å; V105-L111 HydrophobicContact CG1-CD1 4.04Å; V105-L119 HydrophobicContact CG1-CD1 4.27Å; V105-L119 HydrophobicContact CG2-CD1 4.1Å; V105-L119 HydrophobicContact CG2-CD2 4.26Å
106	K	92.1	Very high	93.8	Very high	208 Å²	208	66.3 Å²	66.3	90%	0.904	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-37.9	-169.6	-174.3	178.8	178.2	-178.4	0	115
107	D	94	Very high	93.9	Very high	52 Å²	52	64 Å²	64	28%	0.278	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	19.2	-173	69.4	-15.8	0	0	0	113.1	V105 N109 S110 L111 S293	V105-D107 VanDerWaalsContact C-N 3.27Å; V105-D107 PolarHBondContact O-N 3.42Å; V105-D107 VanDerWaalsContact O-N 3.08Å; D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact O-N 2.67Å; D107-N109 VanDerWaalsContact O-N 3.07Å; D107-S110 PolarHBondContact O-N 2.93Å; D107-S110 PolarHBondContact O-OG 2.96Å; D107-L111 PolarHBondContact O-N 2.82Å; D107-S293 VanDerWaalsContact CG-CB 3.5Å; D107-S293 WeakPolarHBondContact OD1-CB 3.36Å; D107-S293 PolarHBondContact OD1-OG 2.93Å; D107-S293 PolarHBondContact OD2-OG 3.01Å; D107-S293 VanDerWaalsContact OD2-OG 3.12Å
108	Y	95.8	Very high	94	Very high	13 Å²	13	62.4 Å²	62.4	5%	0.051	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-44.9	-47.8	-171.3	-178.8	-93.7	0	0	0	114.2	V101 R102 V105 S110 L111 K116 L119 L120	V101-Y108 HydrophobicContact CG2-CD2 4.16Å; V101-Y108 HydrophobicContact CG2-CE2 3.63Å; R102-Y108 HydrophobicContact CB-CD1 4.21Å; R102-Y108 HydrophobicContact CB-CE1 4.33Å; R102-Y108 HydrophobicContact CG-CD1 4Å; R102-Y108 HydrophobicContact CG-CE1 3.61Å; V105-Y108 HydrophobicContact CB-CD2 4.49Å; V105-Y108 WeakPolarHBondContact O-CB 3.31Å; V105-Y108 PolarHBondContact O-N 3.3Å; Y108-S110 PolarHBondContact O-N 3.09Å; Y108-L111 WeakPolarHBondContact O-CB 2.92Å; Y108-L111 PolarHBondContact O-N 2.92Å; Y108-L111 VanDerWaalsContact O-N 3.07Å; Y108-K116 HydrophobicContact CE1-CD 4.28Å; Y108-K116 HydrophobicContact CE1-CG 4.14Å; Y108-K116 HydrophobicContact CE2-CB 4.14Å; Y108-K116 HydrophobicContact CE2-CG 3.98Å; Y108-K116 WeakPolarHBondContact O-CE 3.5Å; Y108-L119 HydrophobicContact CD2-CD1 4.12Å; Y108-L119 HydrophobicContact CE2-CD1 4.33Å; Y108-L120 WeakPolarHBondContact OH-CD1 3.36Å
109	N	95.6	Very high	94.2	Very high	133 Å²	133	62.3 Å²	62.3	71%	0.711	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-62.7	-30.2	-176.1	-70.5	-29	0	0	0	112.9	D107 K116	D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact O-N 2.67Å; D107-N109 VanDerWaalsContact O-N 3.07Å; N109-K116 PolarHBondContact O-NZ 2.76Å
110	S	95.1	Very high	94.3	Very high	83 Å²	83	58.5 Å²	58.5	58%	0.58	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-85.8	-9.1	178.9	75.5	0	0	0	0	113.9	D107 Y108	D107-S110 PolarHBondContact O-N 2.93Å; D107-S110 PolarHBondContact O-OG 2.96Å; Y108-S110 PolarHBondContact O-N 3.09Å
111	L	95.5	Very high	94.6	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.042	31%	0.309	C	S	.	.	S	Bend	trans	-72.2	143.7	-178.6	-65.3	-179.4	0	0	0	111.4	V105 D107 Y108 F115 K116 L119 P291	V105-L111 HydrophobicContact CG1-CD1 4.04Å; D107-L111 PolarHBondContact O-N 2.82Å; Y108-L111 WeakPolarHBondContact O-CB 2.92Å; Y108-L111 PolarHBondContact O-N 2.92Å; Y108-L111 VanDerWaalsContact O-N 3.07Å; L111-F115 HydrophobicContact CB-CB 4.02Å; L111-F115 HydrophobicContact CD1-CB 4.12Å; L111-K116 HydrophobicContact CB-CG 4.35Å; L111-K116 WeakPolarHBondContact O-CE 3.33Å; L111-K116 PolarHBondContact O-NZ 3.03Å; L111-L119 HydrophobicContact CD1-CD1 3.74Å; L111-P291 HydrophobicContact CD2-CB 4.03Å; L111-P291 HydrophobicContact CD2-CG 3.81Å
112	P	94.8	Very high	94.7	Very high	60 Å²	60	63 Å²	63	39%	0.39	31%	0.312	S	S	.	.			trans	-56.8	150.7	168.9	-23.5	31.7	0	0	0	112.3	R114 F115 K116	P112-R114 VanDerWaalsContact C-N 3.26Å; P112-R114 HydrophobicContact CB-CG 4.2Å; P112-R114 PolarHBondContact O-N 3.47Å; P112-R114 VanDerWaalsContact O-N 3.14Å; P112-F115 HydrophobicContact CB-CD2 4.09Å; P112-F115 HydrophobicContact CG-CD2 3.99Å; P112-F115 HydrophobicContact CG-CE2 4.23Å; P112-F115 WeakPolarHBondContact O-CB 3.27Å; P112-F115 PolarHBondContact O-N 3.28Å; P112-K116 PolarHBondContact O-N 2.78Å
113	N	93.9	Very high	94.7	Very high	113 Å²	113	60.1 Å²	60.1	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-53.5	-39.6	-176	-69.9	-11.2	0	0	0	113.4	F115 K116 D117	N113-F115 PolarHBondContact O-N 2.84Å; N113-F115 VanDerWaalsContact O-N 3.12Å; N113-K116 WeakPolarHBondContact O-CB 3.35Å; N113-K116 PolarHBondContact O-N 2.84Å; N113-D117 PolarHBondContact O-N 2.98Å
114	R	93.8	Very high	94.9	Very high	97 Å²	97	54.5 Å²	54.5	37%	0.366	27%	0.266	S	S	.	.	H	α-helix	trans	-52.9	-35.5	175.3	64.5	178.3	-178.9	-174.6	0.9	114.1	P112 F118 F217	P112-R114 VanDerWaalsContact C-N 3.26Å; P112-R114 HydrophobicContact CB-CG 4.2Å; P112-R114 PolarHBondContact O-N 3.47Å; P112-R114 VanDerWaalsContact O-N 3.14Å; R114-F118 WeakPolarHBondContact O-CB 3.36Å; R114-F118 PolarHBondContact O-N 2.9Å; R114-F118 VanDerWaalsContact O-N 3.16Å; R114-F217 HydrophobicContact CB-CD2 4.11Å; R114-F217 HydrophobicContact CB-CE2 4.16Å; R114-F217 HydrophobicContact CG-CD2 4.23Å; R114-F217 HydrophobicContact CG-CE2 3.76Å; R114-F217 HydrophobicContact CG-CZ 4.16Å; R114-F217 WeakPolarHBondContact O-CD2 3.35Å
115	F	96.7	Very high	95.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-78.5	-38.8	176.3	-72.9	-82	0	0	0	111.8	L111 P112 N113 F118 L119 F217 F289 I290 P291 M294	L111-F115 HydrophobicContact CB-CB 4.02Å; L111-F115 HydrophobicContact CD1-CB 4.12Å; P112-F115 HydrophobicContact CB-CD2 4.09Å; P112-F115 HydrophobicContact CG-CD2 3.99Å; P112-F115 HydrophobicContact CG-CE2 4.23Å; P112-F115 WeakPolarHBondContact O-CB 3.27Å; P112-F115 PolarHBondContact O-N 3.28Å; N113-F115 PolarHBondContact O-N 2.84Å; N113-F115 VanDerWaalsContact O-N 3.12Å; F115-F118 PolarHBondContact O-N 2.79Å; F115-L119 WeakPolarHBondContact O-CB 3.39Å; F115-L119 WeakPolarHBondContact O-CD1 3.31Å; F115-L119 WeakPolarHBondContact O-CG 3.4Å; F115-L119 PolarHBondContact O-N 2.76Å; F115-F217 AromaticContact CD1-CE2 3.55Å; F115-F217 HydrophobicContact CD1-CE2 3.55Å; F115-F217 HydrophobicContact CD1-CZ 4.11Å; F115-F217 HydrophobicContact CD2-CE2 4.05Å; F115-F217 HydrophobicContact CD2-CZ 4.41Å; F115-F217 AromaticContact CE1-CE2 3.54Å; F115-F217 HydrophobicContact CE1-CE2 3.54Å; F115-F217 AromaticContact CE1-CZ 3.59Å; F115-F217 HydrophobicContact CE1-CZ 3.59Å; F115-F217 HydrophobicContact CE2-CE2 4.07Å; F115-F217 AromaticContact CE2-CZ 3.97Å; F115-F217 HydrophobicContact CE2-CZ 3.97Å; F115-F217 AromaticContact CG-CE2 3.81Å; F115-F217 HydrophobicContact CG-CE2 3.81Å; F115-F217 HydrophobicContact CG-CZ 4.48Å; F115-F217 AromaticContact CZ-CE2 3.82Å; F115-F217 HydrophobicContact CZ-CE2 3.82Å; F115-F217 AromaticContact CZ-CZ 3.53Å; F115-F217 HydrophobicContact CZ-CZ 3.53Å; F115-F289 AromaticContact CE2-CD1 3.77Å; F115-F289 HydrophobicContact CE2-CD1 3.77Å; F115-F289 HydrophobicContact CE2-CE1 4.03Å; F115-F289 AromaticContact CZ-CD1 3.73Å; F115-F289 HydrophobicContact CZ-CD1 3.73Å; F115-F289 HydrophobicContact CZ-CE1 4.09Å; F115-F289 VanDerWaalsContact CZ-O 3.32Å; F115-F289 WeakPolarHBondContact CZ-O 3.37Å; F115-I290 HydrophobicContact CE1-CD1 4.2Å; F115-P291 HydrophobicContact CD1-CG 4.23Å; F115-P291 HydrophobicContact CE1-CG 4.05Å; F115-P291 HydrophobicContact CZ-CG 4.41Å; F115-M294 HydrophobicContact CD1-SD 3.72Å; F115-M294 HydrophobicContact CE1-SD 3.87Å
116	K	96.4	Very high	95.1	Very high	45 Å²	45	57.7 Å²	57.7	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-49	176.5	-67.6	177.3	173.7	163.5	0	110.2	Y108 N109 L111 P112 N113 L119 L120	Y108-K116 HydrophobicContact CE1-CD 4.28Å; Y108-K116 HydrophobicContact CE1-CG 4.14Å; Y108-K116 HydrophobicContact CE2-CB 4.14Å; Y108-K116 HydrophobicContact CE2-CG 3.98Å; Y108-K116 WeakPolarHBondContact O-CE 3.5Å; N109-K116 PolarHBondContact O-NZ 2.76Å; L111-K116 HydrophobicContact CB-CG 4.35Å; L111-K116 WeakPolarHBondContact O-CE 3.33Å; L111-K116 PolarHBondContact O-NZ 3.03Å; P112-K116 PolarHBondContact O-N 2.78Å; N113-K116 WeakPolarHBondContact O-CB 3.35Å; N113-K116 PolarHBondContact O-N 2.84Å; K116-L119 PolarHBondContact O-N 2.95Å; K116-L120 WeakPolarHBondContact O-CB 2.97Å; K116-L120 WeakPolarHBondContact O-CG 3.01Å; K116-L120 PolarHBondContact O-N 2.83Å
117	D	95.3	Very high	95.3	Very high	54 Å²	54	49.9 Å²	49.9	29%	0.289	25%	0.254	S	S	.	.	H	α-helix	trans	-58.4	-51.3	176.1	-65	-10.6	0	0	0	110.5	N113 L119 L120 Y121 R213	N113-D117 PolarHBondContact O-N 2.98Å; D117-L119 PolarHBondContact O-N 2.89Å; D117-L120 PolarHBondContact O-N 3.2Å; D117-Y121 VanDerWaalsContact O-CD2 3.29Å; D117-Y121 WeakPolarHBondContact O-CD2 3.39Å; D117-Y121 PolarHBondContact O-N 2.88Å; D117-Y121 VanDerWaalsContact O-N 3.12Å; D117-R213 IonicContact OD2-NH1 2.83Å; D117-R213 PolarHBondContact OD2-NH1 3.03Å
118	F	96.8	Very high	95.5	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.035	27%	0.266	C	S	.	.	H	α-helix	trans	-56.5	-49.1	178.4	-178.3	-86.9	0	0	0	112.1	R114 F115 L120 Y121 M122 F217 M294 L327 P329	R114-F118 WeakPolarHBondContact O-CB 3.36Å; R114-F118 PolarHBondContact O-N 2.9Å; R114-F118 VanDerWaalsContact O-N 3.16Å; F115-F118 PolarHBondContact O-N 2.79Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 2.03Å; F118-Y121 PolarHBondContact O-N 3.02Å; F118-M122 HydrophobicContact CD1-CB 4.22Å; F118-M122 HydrophobicContact CD1-SD 4.42Å; F118-M122 HydrophobicContact CE1-CB 3.9Å; F118-M122 HydrophobicContact CE1-CE 4.09Å; F118-M122 HydrophobicContact CE1-SD 4.06Å; F118-M122 HydrophobicContact CZ-CB 4.16Å; F118-M122 WeakPolarHBondContact O-CA 3.41Å; F118-M122 WeakPolarHBondContact O-CB 3.42Å; F118-M122 PolarHBondContact O-N 3.24Å; F118-F217 HydrophobicContact CB-CD2 4.01Å; F118-F217 HydrophobicContact CD2-CB 3.99Å; F118-F217 HydrophobicContact CD2-CD2 4.48Å; F118-F217 HydrophobicContact CG-CD2 4.38Å; F118-M294 HydrophobicContact CD1-CE 3.35Å; F118-M294 HydrophobicContact CE1-CE 3.25Å; F118-M294 HydrophobicContact CG-CE 4.44Å; F118-M294 HydrophobicContact CZ-CE 4.29Å; F118-L327 HydrophobicContact CZ-CB 4.19Å; F118-L327 WeakPolarHBondContact CZ-O 3.49Å; F118-P329 HydrophobicContact CD1-CG 4.03Å; F118-P329 HydrophobicContact CD2-CG 4.29Å; F118-P329 HydrophobicContact CE1-CG 3.8Å; F118-P329 HydrophobicContact CE2-CB 4.41Å; F118-P329 HydrophobicContact CE2-CG 4.05Å; F118-P329 HydrophobicContact CG-CG 4.27Å; F118-P329 HydrophobicContact CZ-CG 3.8Å
119	L	96.6	Very high	95.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-37.1	-179.1	-70.7	164.7	0	0	0	112.5	Y56 V101 V105 Y108 L111 F115 K116 D117 Y121 M122 M294	Y56-L119 HydrophobicContact CD1-CD2 3.58Å; Y56-L119 HydrophobicContact CE1-CD2 3.89Å; V101-L119 HydrophobicContact CB-CB 4.31Å; V101-L119 HydrophobicContact CG1-CB 4.46Å; V101-L119 WeakPolarHBondContact CG1-O 3.37Å; V101-L119 HydrophobicContact CG2-CB 4.15Å; V105-L119 HydrophobicContact CG1-CD1 4.27Å; V105-L119 HydrophobicContact CG2-CD1 4.1Å; V105-L119 HydrophobicContact CG2-CD2 4.26Å; Y108-L119 HydrophobicContact CD2-CD1 4.12Å; Y108-L119 HydrophobicContact CE2-CD1 4.33Å; L111-L119 HydrophobicContact CD1-CD1 3.74Å; F115-L119 WeakPolarHBondContact O-CB 3.39Å; F115-L119 WeakPolarHBondContact O-CD1 3.31Å; F115-L119 WeakPolarHBondContact O-CG 3.4Å; F115-L119 PolarHBondContact O-N 2.76Å; K116-L119 PolarHBondContact O-N 2.95Å; D117-L119 PolarHBondContact O-N 2.89Å; L119-Y121 VanDerWaalsContact C-N 3.35Å; L119-M122 HydrophobicContact CD2-SD 4.11Å; L119-M294 HydrophobicContact CD2-CE 4.31Å
120	L	95.9	Very high	95.6	Very high	19 Å²	19	51.6 Å²	51.6	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-37.3	178.2	-73.2	168	0	0	0	112.1	P97 N98 L99 V101 Y108 K116 D117 F118	P97-L120 HydrophobicContact CB-CB 4.36Å; P97-L120 HydrophobicContact CB-CD2 4.31Å; N98-L120 PolarHBondContact N-O 3.06Å; N98-L120 WeakPolarHBondContact O-CD2 3.42Å; L99-L120 HydrophobicContact CD2-CD2 4.14Å; V101-L120 HydrophobicContact CG2-CD2 3.86Å; V101-L120 HydrophobicContact CG2-CG 4.32Å; Y108-L120 WeakPolarHBondContact OH-CD1 3.36Å; K116-L120 WeakPolarHBondContact O-CB 2.97Å; K116-L120 WeakPolarHBondContact O-CG 3.01Å; K116-L120 PolarHBondContact O-N 2.83Å; D117-L120 PolarHBondContact O-N 3.2Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 2.03Å
121	Y	95.8	Very high	95.7	Very high	102 Å²	102	49 Å²	49	40%	0.4	25%	0.249	S	C	.	.	H	α-helix	trans	-115	2.7	-169.2	-62.6	-73.7	0	0	0	115.2	P97 D117 F118 L119 R123 C124	P97-Y121 HydrophobicContact CB-CE1 3.85Å; P97-Y121 HydrophobicContact CG-CE1 4.35Å; D117-Y121 VanDerWaalsContact O-CD2 3.29Å; D117-Y121 WeakPolarHBondContact O-CD2 3.39Å; D117-Y121 PolarHBondContact O-N 2.88Å; D117-Y121 VanDerWaalsContact O-N 3.12Å; F118-Y121 PolarHBondContact O-N 3.02Å; L119-Y121 VanDerWaalsContact C-N 3.35Å; Y121-R123 PolarHBondContact O-N 3.06Å; Y121-C124 WeakPolarHBondContact O-CB 3.43Å; Y121-C124 PolarHBondContact O-N 2.94Å
122	M	94.6	Very high	95.8	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.054	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-7.9	-176.7	60.2	-177.6	-62.8	0	0	115.5	Y56 F118 L119 V326 L327	Y56-M122 HydrophobicContact CD1-SD 4.36Å; Y56-M122 HydrophobicContact CE1-SD 3.75Å; F118-M122 HydrophobicContact CD1-CB 4.22Å; F118-M122 HydrophobicContact CD1-SD 4.42Å; F118-M122 HydrophobicContact CE1-CB 3.9Å; F118-M122 HydrophobicContact CE1-CE 4.09Å; F118-M122 HydrophobicContact CE1-SD 4.06Å; F118-M122 HydrophobicContact CZ-CB 4.16Å; F118-M122 WeakPolarHBondContact O-CA 3.41Å; F118-M122 WeakPolarHBondContact O-CB 3.42Å; F118-M122 PolarHBondContact O-N 3.24Å; L119-M122 HydrophobicContact CD2-SD 4.11Å; M122-V326 HydrophobicContact CE-CG1 3.13Å; M122-L327 WeakPolarHBondContact O-CD1 3.29Å
123	R	94.2	Very high	95.9	Very high	75 Å²	75	48.6 Å²	48.6	28%	0.283	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-24.6	171.2	-68.5	178.2	69.5	-145	3.3	112.4	P91 P94 Y121 R125	P91-R123 PolarHBondContact O-NH1 3.48Å; P91-R123 PolarHBondContact O-NH2 3.32Å; P94-R123 HydrophobicContact CB-CB 4.01Å; P94-R123 CarbonylContact O-C 3.55Å; P94-R123 WeakPolarHBondContact O-CB 2.96Å; Y121-R123 PolarHBondContact O-N 3.06Å; R123-R125 PolarHBondContact O-N 2.92Å
124	C	95.9	Very high	95.9	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.034	24%	0.235	C	C	.	.			trans	-72.5	119.7	-179.6	-167	0	0	0	0	110.7	P94 C95 Y121 Y127	P94-C124 PolarHBondContact O-N 3.27Å; P94-C124 VanDerWaalsContact O-N 3.15Å; C95-C124 HydrophobicContact CB-CB 3.81Å; C95-C124 WeakPolarHBondContact CB-SG 3.19Å; C95-C124 VanDerWaalsContact SG-CA 3.52Å; C95-C124 WeakPolarHBondContact SG-CB 3.46Å; C95-C124 CovalentContact SG-SG 2.04Å; C95-C124 PolarHBondContact SG-SG 2.98Å; Y121-C124 WeakPolarHBondContact O-CB 3.43Å; Y121-C124 PolarHBondContact O-N 2.94Å; C124-Y127 HydrophobicContact CB-CE2 4.43Å; C124-Y127 PolarHBondContact SG-OH 2.76Å
125	R	94.4	Very high	96	Very high	39 Å²	39	47.2 Å²	47.2	15%	0.147	25%	0.247	C	C	.	.			trans	-122.4	-16.8	-176.3	-68.1	172.3	176.2	-120.7	-7.7	113.7	R123 L224 S322 V325 L327	R123-R125 PolarHBondContact O-N 2.92Å; R125-L224 HydrophobicContact CB-CD1 4.22Å; R125-L224 HydrophobicContact CB-CD2 4.24Å; R125-L224 HydrophobicContact CG-CD1 4.06Å; R125-L224 VanDerWaalsContact O-CD2 3.3Å; R125-L224 WeakPolarHBondContact O-CD2 3.3Å; R125-S322 PolarHBondContact NH1-O 2.86Å; R125-V325 PolarHBondContact NH2-O 3Å; R125-L327 HydrophobicContact CG-CD1 4.45Å
126	S	93.8	Very high	95.9	Very high	85 Å²	85	49.1 Å²	49.1	59%	0.594	26%	0.257	S	S	*	.			trans	-109.5	129	-177.8	-173	0	0	0	0	109.3
127	Y	96.9	Very high	95.8	Very high	44 Å²	44	47.6 Å²	47.6	17%	0.173	25%	0.252	C	S	.	.			trans	-136.2	136.1	176.3	-66.9	-89	0	0	0	108.5	C124 D211 F212 V221 L225	C124-Y127 HydrophobicContact CB-CE2 4.43Å; C124-Y127 PolarHBondContact SG-OH 2.76Å; Y127-D211 VanDerWaalsContact CD1-O 3.23Å; Y127-D211 WeakPolarHBondContact CD1-O 3.39Å; Y127-F212 HydrophobicContact CD1-CB 3.54Å; Y127-F212 HydrophobicContact CD2-CB 4.11Å; Y127-F212 HydrophobicContact CE1-CB 3.68Å; Y127-F212 HydrophobicContact CE2-CB 4.26Å; Y127-F212 HydrophobicContact CG-CB 3.74Å; Y127-V221 HydrophobicContact CD2-CG1 3.58Å; Y127-V221 HydrophobicContact CE2-CG1 3.39Å; Y127-V221 HydrophobicContact CE2-CG2 4.34Å; Y127-L225 HydrophobicContact CD2-CD1 3.98Å; Y127-L225 HydrophobicContact CD2-CD2 4.37Å; Y127-L225 HydrophobicContact CG-CD1 4.37Å
128	P	96.9	Very high	95.7	Very high	81 Å²	81	50.2 Å²	50.2	53%	0.526	27%	0.266	S	S	.	.			trans	-56.3	144.9	178	-26	33.3	0	0	0	113	W210 D211	P128-W210 CarbonylContact O-C 3.59Å; P128-W210 VanDerWaalsContact O-CA 3.3Å; P128-W210 WeakPolarHBondContact O-CA 3.05Å; P128-D211 HydrophobicContact CB-CB 4.3Å; P128-D211 HydrophobicContact CG-CB 4.48Å; P128-D211 PolarHBondContact O-N 3.34Å
129	V	97.4	Very high	95.5	Very high	68 Å²	68	56.1 Å²	56.1	41%	0.412	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.1	168.8	-175.4	0	0	0	0	108.5	M131 D132	V129-M131 VanDerWaalsContact CG1-O 3.31Å; V129-M131 WeakPolarHBondContact CG1-O 3.25Å; V129-D132 HydrophobicContact CG1-CB 3.75Å
130	L	96.8	Very high	95.4	Very high	86 Å²	86	59.9 Å²	59.9	45%	0.45	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-37.2	176.8	-62.5	179.2	0	0	0	111.9	N183 Q209 D211	L130-N183 WeakPolarHBondContact CD1-OD1 2.75Å; L130-Q209 HydrophobicContact CB-CB 4.46Å; L130-Q209 HydrophobicContact CB-CG 4.32Å; L130-Q209 HydrophobicContact CD1-CG 4.35Å; L130-Q209 PolarHBondContact N-O 3.47Å; L130-D211 HydrophobicContact CD1-CB 3.85Å; L130-D211 HydrophobicContact CD2-CB 3.92Å; L130-D211 HydrophobicContact CG-CB 3.82Å
131	M	97.3	Very high	95.5	Very high	27 Å²	27	59.1 Å²	59.1	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.1	174.9	-58.2	-170.8	-167.1	0	0	109	V129 L197 Q198 I207 V208 Q209	V129-M131 VanDerWaalsContact CG1-O 3.31Å; V129-M131 WeakPolarHBondContact CG1-O 3.25Å; M131-L197 HydrophobicContact CE-CB 4.47Å; M131-L197 HydrophobicContact CE-CD2 4.42Å; M131-L197 HydrophobicContact CE-CG 4.3Å; M131-L197 HydrophobicContact SD-CG 4.47Å; M131-Q198 HydrophobicContact CE-CB 4.2Å; M131-Q198 HydrophobicContact CE-CG 3.36Å; M131-I207 HydrophobicContact SD-CG2 4.42Å; M131-V208 WeakPolarHBondContact O-CA 3.47Å; M131-Q209 HydrophobicContact CB-CB 3.99Å; M131-Q209 VanDerWaalsContact CE-OE1 3.3Å; M131-Q209 HydrophobicContact CG-CB 4.21Å; M131-Q209 PolarHBondContact N-O 2.75Å; M131-Q209 PolarHBondContact O-N 3.41Å
132	D	97.4	Very high	95.6	Very high	41 Å²	41	55.7 Å²	55.7	22%	0.219	31%	0.306	C	S	.	.			trans	-126.1	160.1	-178.7	-160.8	5	0	0	0	110.7	V129 W229 R233	V129-D132 HydrophobicContact CG1-CB 3.75Å; D132-W229 PolarHBondContact OD1-NE1 3.42Å; D132-R233 IonicContact OD1-NE 3.33Å; D132-R233 IonicContact OD2-CZ 3.4Å; D132-R233 IonicContact OD2-NE 2.89Å; D132-R233 PolarHBondContact OD2-NE 3.26Å; D132-R233 IonicContact OD2-NH2 2.65Å; D132-R233 PolarHBondContact OD2-NH2 3.36Å
133	Q	96.7	Very high	95.8	Very high	19 Å²	19	55.2 Å²	55.2	9%	0.089	30%	0.303	C	S	.	.			trans	-130	71.1	176.3	-52.3	-58.1	-27.2	0	0	109.6	D135 I136 S201 K205 I207	Q133-D135 PolarHBondContact O-N 2.76Å; Q133-I136 HydrophobicContact CB-CB 4Å; Q133-I136 HydrophobicContact CB-CD1 4.44Å; Q133-I136 HydrophobicContact CB-CG2 4.16Å; Q133-I136 WeakPolarHBondContact O-CG2 3.44Å; Q133-I136 PolarHBondContact O-N 2.93Å; Q133-S201 PolarHBondContact NE2-OG 3.38Å; Q133-S201 VanDerWaalsContact NE2-OG 3.13Å; Q133-K205 WeakPolarHBondContact CG-O 3.39Å; Q133-K205 VanDerWaalsContact OE1-CA 3.25Å; Q133-K205 PolarHBondContact OE1-O 3.18Å; Q133-I207 WeakPolarHBondContact CG-O 3.36Å; Q133-I207 PolarHBondContact NE2-O 3.15Å
134	P	95.3	Very high	96.1	Very high	67 Å²	67	51.6 Å²	51.6	44%	0.435	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.6	-169.5	24.9	-34.7	0	0	0	113.4
135	D	94.4	Very high	96.2	Very high	115 Å²	115	51.4 Å²	51.4	62%	0.615	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-6	-175.2	-63.1	-52.3	0	0	0	114.2	Q133 C137 N138	Q133-D135 PolarHBondContact O-N 2.76Å; D135-C137 PolarHBondContact O-N 2.92Å; D135-C137 VanDerWaalsContact O-N 3.13Å; D135-N138 WeakPolarHBondContact CA-ND2 3.36Å; D135-N138 WeakPolarHBondContact CB-ND2 3.47Å; D135-N138 PolarHBondContact O-N 3.41Å; D135-N138 PolarHBondContact OD1-ND2 3.23Å; D135-N138 VanDerWaalsContact OD1-ND2 3.08Å
136	I	94.3	Very high	96.4	Very high	40 Å²	40	49.5 Å²	49.5	21%	0.205	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.9	-167.1	-152.3	-177.6	0	0	0	113.6	Q133 V176 V178 K205 W229	Q133-I136 HydrophobicContact CB-CB 4Å; Q133-I136 HydrophobicContact CB-CD1 4.44Å; Q133-I136 HydrophobicContact CB-CG2 4.16Å; Q133-I136 WeakPolarHBondContact O-CG2 3.44Å; Q133-I136 PolarHBondContact O-N 2.93Å; I136-V176 HydrophobicContact CD1-CG1 3.63Å; I136-V176 HydrophobicContact CG1-CG1 3.69Å; I136-V178 HydrophobicContact CD1-CG1 3.51Å; I136-V178 HydrophobicContact CG2-CG1 4.36Å; I136-K205 WeakPolarHBondContact CD1-O 3.27Å; I136-W229 HydrophobicContact CG2-CH2 3.79Å; I136-W229 HydrophobicContact CG2-CZ2 4.14Å
137	C	95.2	Very high	96.6	Very high	13 Å²	13	45.5 Å²	45.5	9%	0.088	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	27.4	178	-66.3	0	0	0	0	113.1	D135 D139 R233 C234	D135-C137 PolarHBondContact O-N 2.92Å; D135-C137 VanDerWaalsContact O-N 3.13Å; C137-D139 CarbonylContact O-C 3.57Å; C137-D139 PolarHBondContact O-N 3.12Å; C137-R233 WeakPolarHBondContact CB-O 3.46Å; C137-C234 HydrophobicContact CB-CB 3.54Å; C137-C234 WeakPolarHBondContact CB-SG 3.36Å; C137-C234 WeakPolarHBondContact SG-CB 3.33Å; C137-C234 CovalentContact SG-SG 2.03Å; C137-C234 PolarHBondContact SG-SG 3.38Å
138	N	92.6	Very high	96.7	Very high	109 Å²	109	44 Å²	44	58%	0.583	25%	0.247	S	C	*	.	S	Bend	trans	-54.2	-40.3	170.8	-76.8	-14.5	0	0	0	111	D135	D135-N138 WeakPolarHBondContact CA-ND2 3.36Å; D135-N138 WeakPolarHBondContact CB-ND2 3.47Å; D135-N138 PolarHBondContact O-N 3.41Å; D135-N138 PolarHBondContact OD1-ND2 3.23Å; D135-N138 VanDerWaalsContact OD1-ND2 3.08Å
139	D	93.4	Very high	96.8	Very high	131 Å²	131	40.3 Å²	40.3	70%	0.701	22%	0.223	S	C	*	.	S	Bend	trans	-95.3	115.1	163.5	-67.3	-41.2	0	0	0	109.3	C137 P141	C137-D139 CarbonylContact O-C 3.57Å; C137-D139 PolarHBondContact O-N 3.12Å; D139-P141 WeakPolarHBondContact O-CD 3.31Å
140	P	95.1	Very high	96.8	Very high	81 Å²	81	39.3 Å²	39.3	53%	0.526	22%	0.215	S	C	.	.			trans	-58.5	121.9	-177.6	-27.9	36.1	0	0	0	112.7
141	P	97.8	Very high	96.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.013	20%	0.197	C	C	.	.			trans	-75.4	148.8	-178.6	29.7	-34.2	0	0	0	111.7	D139 L143 L144 T174 V176 A237 R238	D139-P141 WeakPolarHBondContact O-CD 3.31Å; P141-L143 VanDerWaalsContact C-N 3.34Å; P141-L144 HydrophobicContact CG-CB 4.39Å; P141-T174 HydrophobicContact CB-CG2 4.34Å; P141-V176 HydrophobicContact CB-CB 4.09Å; P141-V176 HydrophobicContact CB-CG2 3.85Å; P141-V176 HydrophobicContact CG-CB 4.29Å; P141-V176 HydrophobicContact CG-CG2 4.27Å; P141-A237 HydrophobicContact CG-CB 3.98Å; P141-A237 WeakPolarHBondContact O-CA 3.2Å; P141-R238 PolarHBondContact O-N 3.25Å
142	F	98.4	Very high	96.7	Very high	31 Å²	31	36.4 Å²	36.4	14%	0.136	20%	0.204	C	C	.	.	S	Bend	trans	-68.5	-38.8	166.9	-179.1	-91	0	0	0	110.8	M173 T174 Y239 L255 L258	F142-M173 HydrophobicContact CB-CB 3.96Å; F142-M173 HydrophobicContact CB-CG 4.39Å; F142-M173 HydrophobicContact CD1-CB 4Å; F142-M173 HydrophobicContact CD1-CG 4.06Å; F142-M173 HydrophobicContact CD1-SD 3.58Å; F142-M173 VanDerWaalsContact CD1-SD 3.58Å; F142-M173 HydrophobicContact CD2-CG 4.3Å; F142-M173 HydrophobicContact CD2-SD 4.19Å; F142-M173 HydrophobicContact CE1-CG 4.44Å; F142-M173 HydrophobicContact CE1-SD 3.39Å; F142-M173 WeakPolarHBondContact CE1-SD 3.46Å; F142-M173 HydrophobicContact CE2-SD 4.02Å; F142-M173 HydrophobicContact CG-CB 3.99Å; F142-M173 HydrophobicContact CG-CG 3.99Å; F142-M173 HydrophobicContact CG-SD 3.98Å; F142-M173 HydrophobicContact CZ-SD 3.62Å; F142-T174 WeakPolarHBondContact CB-O 3.28Å; F142-T174 PolarHBondContact N-O 3.06Å; F142-Y239 HydrophobicContact CD1-CD2 4.42Å; F142-Y239 AromaticContact CE1-CD2 3.91Å; F142-Y239 HydrophobicContact CE1-CD2 3.91Å; F142-Y239 HydrophobicContact CE1-CE2 4.17Å; F142-Y239 HydrophobicContact CE2-CD2 4.23Å; F142-Y239 AromaticContact CE2-CE2 3.96Å; F142-Y239 HydrophobicContact CE2-CE2 3.96Å; F142-Y239 AromaticContact CZ-CD2 3.81Å; F142-Y239 HydrophobicContact CZ-CD2 3.81Å; F142-Y239 AromaticContact CZ-CE2 3.61Å; F142-Y239 HydrophobicContact CZ-CE2 3.61Å; F142-Y239 PolarHBondContact O-N 2.58Å; F142-L255 HydrophobicContact CD1-CD2 3.73Å; F142-L255 HydrophobicContact CE1-CD2 3.92Å; F142-L258 HydrophobicContact CE1-CB 3.75Å; F142-L258 HydrophobicContact CE1-CD1 3.97Å; F142-L258 HydrophobicContact CZ-CB 3.88Å
143	L	98.7	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	122	177.4	178.1	61.8	0	0	0	110.8	P141 L145 T174 V175 V176 Y239 F241 T251 I254 L255 L258 L309	P141-L143 VanDerWaalsContact C-N 3.34Å; L143-L145 HydrophobicContact CD1-CD2 4.3Å; L143-L145 HydrophobicContact CD2-CD2 3.7Å; L143-L145 HydrophobicContact CG-CD2 3.81Å; L143-L145 HydrophobicContact CG-CG 4.46Å; L143-T174 PolarHBondContact N-O 3.2Å; L143-V175 HydrophobicContact CB-CG2 4.37Å; L143-V175 WeakPolarHBondContact O-CA 3.32Å; L143-V176 PolarHBondContact O-N 2.8Å; L143-Y239 WeakPolarHBondContact CA-O 3.36Å; L143-F241 HydrophobicContact CD1-CB 4.14Å; L143-T251 HydrophobicContact CD2-CG2 4.24Å; L143-I254 HydrophobicContact CD2-CG2 3.86Å; L143-L255 HydrophobicContact CB-CD2 4.2Å; L143-L255 HydrophobicContact CD2-CD2 4.03Å; L143-L255 HydrophobicContact CD2-CG 4.46Å; L143-L258 HydrophobicContact CD1-CD1 4.11Å; L143-L309 HydrophobicContact CD1-CD1 3.9Å
144	L	98.8	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121	167.1	179.8	65.1	0	0	0	109.5	P141 V176 V178 F226 W229 I230 C234 A237 Y239 I240 F241	P141-L144 HydrophobicContact CG-CB 4.39Å; L144-V176 CarbonylContact C-O 3.51Å; L144-V176 WeakPolarHBondContact CA-O 3.38Å; L144-V176 HydrophobicContact CD1-CB 4.1Å; L144-V176 HydrophobicContact CD1-CG1 3.79Å; L144-V178 HydrophobicContact CD1-CG1 4.33Å; L144-V178 HydrophobicContact CD1-CG2 4.09Å; L144-F226 HydrophobicContact CD2-CE2 4.17Å; L144-F226 HydrophobicContact CD2-CZ 4.16Å; L144-W229 HydrophobicContact CD2-CZ3 4.41Å; L144-I230 HydrophobicContact CD2-CD1 3.87Å; L144-I230 HydrophobicContact CD2-CG1 4.16Å; L144-C234 HydrophobicContact CD2-CB 4.49Å; L144-A237 HydrophobicContact CB-CB 4.2Å; L144-Y239 PolarHBondContact N-O 3.3Å; L144-I240 HydrophobicContact CB-CG1 4.3Å; L144-I240 HydrophobicContact CD2-CG1 4.48Å; L144-I240 CarbonylContact O-C 3.55Å; L144-I240 WeakPolarHBondContact O-CA 3.33Å; L144-F241 PolarHBondContact O-N 2.94Å
145	L	98.8	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	106.3	171.1	-55.6	-178.6	0	0	0	108.4	L143 I147 W164 V175 V176 T177 V178 F241	L143-L145 HydrophobicContact CD1-CD2 4.3Å; L143-L145 HydrophobicContact CD2-CD2 3.7Å; L143-L145 HydrophobicContact CG-CD2 3.81Å; L143-L145 HydrophobicContact CG-CG 4.46Å; L145-I147 HydrophobicContact CB-CD1 4.3Å; L145-W164 HydrophobicContact CD1-CE3 4.48Å; L145-V175 HydrophobicContact CD1-CG1 3.86Å; L145-V175 HydrophobicContact CG-CG1 3.95Å; L145-V176 PolarHBondContact N-O 2.96Å; L145-T177 HydrophobicContact CB-CG2 4.19Å; L145-T177 CarbonylContact O-C 3.57Å; L145-T177 WeakPolarHBondContact O-CA 3.45Å; L145-V178 PolarHBondContact O-N 2.91Å; L145-F241 HydrophobicContact CD2-CB 3.72Å; L145-F241 HydrophobicContact CD2-CD1 3.9Å; L145-F241 HydrophobicContact CD2-CG 4.13Å
146	A	98.7	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	105.1	-179.9	0	0	0	0	0	110.5	V178 L180 F226 I240 F241 K242 G243	A146-V178 HydrophobicContact CB-CG2 4.09Å; A146-L180 HydrophobicContact CB-CD1 4.21Å; A146-F226 HydrophobicContact CB-CD1 4.46Å; A146-F226 HydrophobicContact CB-CD2 4.37Å; A146-F226 HydrophobicContact CB-CE1 3.66Å; A146-F226 HydrophobicContact CB-CE2 3.6Å; A146-F226 HydrophobicContact CB-CZ 3.2Å; A146-I240 HydrophobicContact CB-CG2 4.4Å; A146-F241 PolarHBondContact N-O 3.09Å; A146-K242 VanDerWaalsContact O-CA 3.3Å; A146-K242 WeakPolarHBondContact O-CA 3.31Å; A146-G243 PolarHBondContact O-N 2.9Å; A146-G243 VanDerWaalsContact O-N 3.13Å
147	I	98.8	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.5	-166.9	-50.4	-50.2	0	0	0	110.4	L145 S149 I160 W164 T177 V178 F179 L180 F241 G243 D245	L145-I147 HydrophobicContact CB-CD1 4.3Å; I147-S149 PolarHBondContact O-N 3.17Å; I147-I160 HydrophobicContact CG2-CD1 4Å; I147-W164 HydrophobicContact CD1-CH2 3.62Å; I147-W164 HydrophobicContact CD1-CZ3 3.74Å; I147-W164 HydrophobicContact CG1-CH2 4.07Å; I147-W164 HydrophobicContact CG1-CZ3 4.31Å; I147-T177 HydrophobicContact CG1-CG2 4.29Å; I147-V178 PolarHBondContact N-O 2.65Å; I147-F179 HydrophobicContact CB-CD1 3.72Å; I147-F179 HydrophobicContact CB-CE1 3.93Å; I147-F179 HydrophobicContact CG1-CD1 4.44Å; I147-F179 HydrophobicContact CG1-CE1 4.25Å; I147-F179 HydrophobicContact CG2-CD1 3.98Å; I147-F179 HydrophobicContact CG2-CE1 4.01Å; I147-F179 CarbonylContact O-C 2.93Å; I147-F179 WeakPolarHBondContact O-CA 3.47Å; I147-L180 PolarHBondContact O-N 3.33Å; I147-F241 HydrophobicContact CD1-CD1 4.04Å; I147-F241 HydrophobicContact CD1-CE1 3.81Å; I147-G243 WeakPolarHBondContact CA-O 3.18Å; I147-D245 HydrophobicContact CG2-CB 3.9Å
148	K	98.7	Very high	97.6	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.057	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	122.4	171.7	-67.7	179.7	-80.9	165	0	109	L219 K222 G243 D244 D245 D331	K148-L219 HydrophobicContact CD-CD2 4.33Å; K148-K222 HydrophobicContact CB-CD 4.42Å; K148-K222 HydrophobicContact CG-CD 4.08Å; K148-G243 PolarHBondContact N-O 2.94Å; K148-D244 WeakPolarHBondContact CE-OD1 3.5Å; K148-D244 IonicContact NZ-OD1 3.66Å; K148-D244 PolarHBondContact NZ-OD1 2.91Å; K148-D245 WeakPolarHBondContact O-CB 3.45Å; K148-D245 PolarHBondContact O-N 3.12Å; K148-D331 IonicContact NZ-OD2 3.73Å; K148-D331 PolarHBondContact NZ-OD2 3.3Å
149	S	98.4	Very high	97.9	Very high	3 Å²	3	32 Å²	32	2%	0.021	17%	0.17	C	C	.	.			trans	-139.2	166.6	177.5	-164.6	0	0	0	0	111.1	I147 R157 L180 K222 D245	I147-S149 PolarHBondContact O-N 3.17Å; S149-R157 WeakPolarHBondContact OG-CG 3.5Å; S149-R157 PolarHBondContact OG-NH1 2.8Å; S149-R157 VanDerWaalsContact OG-NH1 3.09Å; S149-L180 PolarHBondContact N-O 2.76Å; S149-L180 VanDerWaalsContact N-O 3.12Å; S149-L180 VanDerWaalsContact O-O 3.08Å; S149-K222 PolarHBondContact O-NZ 3.3Å; S149-D245 VanDerWaalsContact CA-OD2 3.31Å; S149-D245 WeakPolarHBondContact CA-OD2 3.48Å; S149-D245 VanDerWaalsContact CB-OD2 3.3Å; S149-D245 WeakPolarHBondContact CB-OD2 3.24Å; S149-D245 PolarHBondContact OG-OD2 3.35Å
150	L	97.3	Very high	98.2	Very high	48 Å²	48	25.8 Å²	25.8	25%	0.251	14%	0.137	S	C	.	.			trans	-112	149.6	172.4	-67.5	173.9	0	0	0	109.4	P152 H153 R157 D214	L150-P152 VanDerWaalsContact C-CD 3.46Å; L150-P152 VanDerWaalsContact C-N 3.34Å; L150-P152 HydrophobicContact CB-CG 4.22Å; L150-P152 VanDerWaalsContact O-N 3.13Å; L150-H153 WeakPolarHBondContact O-CB 3.47Å; L150-H153 PolarHBondContact O-N 3.11Å; L150-R157 PolarHBondContact O-NH1 2.69Å; L150-D214 HydrophobicContact CD2-CB 3.95Å; L150-D214 VanDerWaalsContact CD2-CG 3.43Å
151	A	96.5	Very high	98.3	Very high	7 Å²	7	23.3 Å²	23.3	6%	0.058	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.5	-49.1	177.6	0	0	0	0	0	114.8	H153 F154 R157 A184 L197	A151-H153 PolarHBondContact O-N 2.93Å; A151-H153 VanDerWaalsContact O-N 3.16Å; A151-F154 WeakPolarHBondContact O-CE2 3.5Å; A151-R157 PolarHBondContact O-NH2 2.93Å; A151-A184 HydrophobicContact CB-CB 3.69Å; A151-L197 HydrophobicContact CB-CD2 4.27Å
152	P	96.3	Very high	98.3	Very high	44 Å²	44	28.6 Å²	28.6	29%	0.286	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.8	180	27	-37.7	0	0	0	116	L150 F154 L193	L150-P152 VanDerWaalsContact C-CD 3.46Å; L150-P152 VanDerWaalsContact C-N 3.34Å; L150-P152 HydrophobicContact CB-CG 4.22Å; L150-P152 VanDerWaalsContact O-N 3.13Å; P152-F154 WeakPolarHBondContact O-CD2 3.14Å; P152-F154 PolarHBondContact O-N 3.34Å; P152-L193 HydrophobicContact CB-CD1 3.77Å
153	H	97.9	Very high	98.3	Very high	44 Å²	44	27.1 Å²	27.1	20%	0.204	14%	0.135	C	C	.	.			trans	-80.6	38.7	-172.3	-67.8	-173.8	0	0	0	114.5	L150 A151 V155 R156 R157 D245	L150-H153 WeakPolarHBondContact O-CB 3.47Å; L150-H153 PolarHBondContact O-N 3.11Å; A151-H153 PolarHBondContact O-N 2.93Å; A151-H153 VanDerWaalsContact O-N 3.16Å; H153-V155 VanDerWaalsContact C-N 3.31Å; H153-V155 PolarHBondContact O-N 2.82Å; H153-R156 HydrophobicContact CB-CB 4.21Å; H153-R156 HydrophobicContact CB-CG 4.35Å; H153-R156 PolarHBondContact O-N 2.87Å; H153-R156 VanDerWaalsContact O-N 3.15Å; H153-R157 PolarHBondContact O-N 3.04Å; H153-D245 VanDerWaalsContact CB-OD2 3.31Å; H153-D245 WeakPolarHBondContact CB-OD2 3.46Å; H153-D245 IonicContact CE1-OD1 3.49Å; H153-D245 IonicContact CE1-OD2 2.78Å; H153-D245 IonicContact CG-OD2 3.44Å; H153-D245 IonicContact ND1-OD1 3.78Å; H153-D245 PolarHBondContact ND1-OD1 2.79Å; H153-D245 IonicContact ND1-OD2 3.52Å; H153-D245 PolarHBondContact ND1-OD2 2.93Å
154	F	98.5	Very high	98.3	Very high	41 Å²	41	27.1 Å²	27.1	18%	0.18	14%	0.135	C	C	.	.	H	α-helix	trans	-52.7	-45.4	179.5	-63.1	-79.6	0	0	0	112.9	A151 P152 R156 R157 Q158 L193 M196 L197 E200	A151-F154 WeakPolarHBondContact O-CE2 3.5Å; P152-F154 WeakPolarHBondContact O-CD2 3.14Å; P152-F154 PolarHBondContact O-N 3.34Å; F154-R156 PolarHBondContact O-N 3.13Å; F154-R157 PolarHBondContact O-N 2.98Å; F154-Q158 VanDerWaalsContact O-CB 3.31Å; F154-Q158 WeakPolarHBondContact O-CB 3.47Å; F154-Q158 PolarHBondContact O-N 3.12Å; F154-L193 HydrophobicContact CE2-CB 4.36Å; F154-L193 HydrophobicContact CE2-CD1 4.1Å; F154-L193 HydrophobicContact CE2-CD2 4.3Å; F154-L193 HydrophobicContact CE2-CG 4.49Å; F154-L193 HydrophobicContact CZ-CB 4.32Å; F154-M196 HydrophobicContact CE1-CB 4.13Å; F154-M196 HydrophobicContact CE2-CB 4.44Å; F154-M196 HydrophobicContact CE2-CE 4.24Å; F154-M196 HydrophobicContact CZ-CB 3.7Å; F154-M196 HydrophobicContact CZ-CE 4.47Å; F154-L197 HydrophobicContact CE1-CD1 4.17Å; F154-E200 WeakPolarHBondContact CD1-OE2 3.46Å; F154-E200 HydrophobicContact CE1-CB 4.34Å; F154-E200 WeakPolarHBondContact CE1-OE2 3.35Å
155	V	98.7	Very high	98.3	Very high	97 Å²	97	27.2 Å²	27.2	59%	0.588	14%	0.136	S	C	*	.	H	α-helix	trans	-67.2	-36.7	-177.8	-176.2	0	0	0	0	111.7	H153 A159 P379	H153-V155 VanDerWaalsContact C-N 3.31Å; H153-V155 PolarHBondContact O-N 2.82Å; V155-A159 WeakPolarHBondContact O-CB 3.49Å; V155-A159 PolarHBondContact O-N 3.38Å; V155-P379 HydrophobicContact CG1-CB 3.85Å; V155-P379 HydrophobicContact CG1-CG 3.92Å
156	R	98.8	Very high	98.1	Very high	70 Å²	70	29.5 Å²	29.5	26%	0.264	15%	0.152	S	C	.	.	H	α-helix	trans	-65	-52.1	175.6	-64.5	-175.9	178.2	-161.6	-7.3	110.2	H153 F154 Q158 A159 I160 D245 D246 P379	H153-R156 HydrophobicContact CB-CB 4.21Å; H153-R156 HydrophobicContact CB-CG 4.35Å; H153-R156 PolarHBondContact O-N 2.87Å; H153-R156 VanDerWaalsContact O-N 3.15Å; F154-R156 PolarHBondContact O-N 3.13Å; R156-Q158 VanDerWaalsContact C-N 3.29Å; R156-Q158 PolarHBondContact O-N 2.85Å; R156-A159 PolarHBondContact O-N 2.9Å; R156-I160 VanDerWaalsContact O-CG1 3.26Å; R156-I160 WeakPolarHBondContact O-CG1 3.4Å; R156-I160 PolarHBondContact O-N 3.43Å; R156-D245 HydrophobicContact CB-CB 4.22Å; R156-D245 VanDerWaalsContact CD-CG 3.49Å; R156-D245 WeakPolarHBondContact CD-O 3.41Å; R156-D245 WeakPolarHBondContact CD-OD1 3.23Å; R156-D245 IonicContact CZ-OD1 2.86Å; R156-D245 IonicContact NE-OD1 3.57Å; R156-D245 IonicContact NH1-OD1 3.87Å; R156-D245 PolarHBondContact NH1-OD1 2.85Å; R156-D246 IonicContact CZ-OD2 2.8Å; R156-D246 IonicContact NH1-OD2 3.61Å; R156-D246 PolarHBondContact NH1-OD2 3.23Å; R156-D246 IonicContact NH2-OD2 2.84Å; R156-P379 HydrophobicContact CG-CG 3.99Å
157	R	98.8	Very high	98	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.4	-44.4	177.2	-65.6	-167.1	-69.9	-82.6	5.3	111.9	S149 L150 A151 H153 F154 I160 R161 F179 E200	S149-R157 WeakPolarHBondContact OG-CG 3.5Å; S149-R157 PolarHBondContact OG-NH1 2.8Å; S149-R157 VanDerWaalsContact OG-NH1 3.09Å; L150-R157 PolarHBondContact O-NH1 2.69Å; A151-R157 PolarHBondContact O-NH2 2.93Å; H153-R157 PolarHBondContact O-N 3.04Å; F154-R157 PolarHBondContact O-N 2.98Å; R157-I160 WeakPolarHBondContact O-CB 3.44Å; R157-I160 PolarHBondContact O-N 3.38Å; R157-R161 WeakPolarHBondContact O-CG 3.34Å; R157-R161 PolarHBondContact O-N 2.9Å; R157-F179 HydrophobicContact CB-CD1 4.22Å; R157-F179 HydrophobicContact CB-CD2 4.35Å; R157-F179 HydrophobicContact CB-CE1 3.89Å; R157-F179 HydrophobicContact CB-CE2 4.03Å; R157-F179 HydrophobicContact CB-CG 4.44Å; R157-F179 HydrophobicContact CB-CZ 3.78Å; R157-F179 VanDerWaalsContact CD-CG 3.49Å; R157-F179 HydrophobicContact CG-CD1 3.55Å; R157-F179 HydrophobicContact CG-CD2 4.23Å; R157-F179 HydrophobicContact CG-CE1 3.68Å; R157-F179 HydrophobicContact CG-CE2 4.32Å; R157-F179 HydrophobicContact CG-CG 3.85Å; R157-F179 HydrophobicContact CG-CZ 4.06Å; R157-E200 IonicContact CZ-OE1 3.29Å; R157-E200 IonicContact CZ-OE2 3.67Å; R157-E200 VanDerWaalsContact CZ-OE2 3.29Å; R157-E200 IonicContact NE-OE1 3.79Å; R157-E200 PolarHBondContact NE-OE1 2.65Å; R157-E200 IonicContact NE-OE2 2.69Å; R157-E200 PolarHBondContact NE-OE2 2.87Å; R157-E200 VanDerWaalsContact NE-OE2 3.09Å; R157-E200 IonicContact NH2-OE1 2.68Å; R157-E200 IonicContact NH2-OE2 2.76Å; R157-E200 PolarHBondContact NH2-OE2 2.95Å
158	Q	98.8	Very high	97.8	Very high	59 Å²	59	34.1 Å²	34.1	28%	0.276	19%	0.194	S	C	.	.	H	α-helix	trans	-64.2	-42.6	179	-173.3	57.5	25.2	0	0	112.9	F154 R156 I160 R161 Q162	F154-Q158 VanDerWaalsContact O-CB 3.31Å; F154-Q158 WeakPolarHBondContact O-CB 3.47Å; F154-Q158 PolarHBondContact O-N 3.12Å; R156-Q158 VanDerWaalsContact C-N 3.29Å; R156-Q158 PolarHBondContact O-N 2.85Å; Q158-I160 VanDerWaalsContact C-N 3.31Å; Q158-I160 PolarHBondContact O-N 3.13Å; Q158-R161 PolarHBondContact O-N 3.06Å; Q158-Q162 WeakPolarHBondContact O-CG 3.3Å; Q158-Q162 PolarHBondContact O-N 3.48Å
159	A	98.8	Very high	97.7	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-38.8	175.3	0	0	0	0	0	111.9	V155 R156 Q162 S163 P379 I383	V155-A159 WeakPolarHBondContact O-CB 3.49Å; V155-A159 PolarHBondContact O-N 3.38Å; R156-A159 PolarHBondContact O-N 2.9Å; A159-Q162 CarbonylContact O-C 3.6Å; A159-Q162 PolarHBondContact O-N 2.86Å; A159-S163 VanDerWaalsContact O-CB 3.25Å; A159-S163 WeakPolarHBondContact O-CB 3.49Å; A159-S163 PolarHBondContact O-N 2.93Å; A159-S163 PolarHBondContact O-OG 2.96Å; A159-P379 HydrophobicContact CB-CB 3.61Å; A159-I383 HydrophobicContact CB-CD1 3.9Å; A159-I383 HydrophobicContact CB-CG1 4.01Å
160	I	98.9	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-48.3	175.3	-67.3	173.1	0	0	0	110.5	I147 R156 R157 Q158 Q162 S163 W164 G165 F179 D245 M382	I147-I160 HydrophobicContact CG2-CD1 4Å; R156-I160 VanDerWaalsContact O-CG1 3.26Å; R156-I160 WeakPolarHBondContact O-CG1 3.4Å; R156-I160 PolarHBondContact O-N 3.43Å; R157-I160 WeakPolarHBondContact O-CB 3.44Å; R157-I160 PolarHBondContact O-N 3.38Å; Q158-I160 VanDerWaalsContact C-N 3.31Å; Q158-I160 PolarHBondContact O-N 3.13Å; I160-Q162 VanDerWaalsContact C-N 3.29Å; I160-Q162 PolarHBondContact O-N 3.35Å; I160-S163 CarbonylContact O-C 3.56Å; I160-S163 PolarHBondContact O-N 3.18Å; I160-S163 VanDerWaalsContact O-N 3.09Å; I160-W164 HydrophobicContact CB-CZ2 4.18Å; I160-W164 HydrophobicContact CD1-CH2 3.88Å; I160-W164 HydrophobicContact CD1-CZ2 3.49Å; I160-W164 VanDerWaalsContact CD1-CZ2 3.49Å; I160-W164 HydrophobicContact CG1-CH2 4.06Å; I160-W164 HydrophobicContact CG1-CZ2 3.4Å; I160-W164 HydrophobicContact CG2-CD2 4.24Å; I160-W164 HydrophobicContact CG2-CE3 4.14Å; I160-W164 HydrophobicContact CG2-CH2 3.72Å; I160-W164 HydrophobicContact CG2-CZ2 3.82Å; I160-W164 HydrophobicContact CG2-CZ3 3.88Å; I160-G165 CarbonylContact O-C 3.44Å; I160-G165 VanDerWaalsContact O-CA 3.26Å; I160-G165 WeakPolarHBondContact O-CA 3.3Å; I160-G165 PolarHBondContact O-N 2.79Å; I160-F179 HydrophobicContact CB-CE1 4.25Å; I160-F179 HydrophobicContact CB-CZ 4.11Å; I160-F179 HydrophobicContact CD1-CE1 4.07Å; I160-F179 HydrophobicContact CG2-CE1 4.06Å; I160-F179 HydrophobicContact CG2-CZ 3.92Å; I160-D245 HydrophobicContact CD1-CB 3.96Å; I160-M382 HydrophobicContact CG1-SD 3.91Å
161	R	98.6	Very high	97.3	Very high	28 Å²	28	40.8 Å²	40.8	11%	0.106	24%	0.236	C	C	.	.	H	α-helix	trans	-57.4	-40	175.7	-68.7	177.2	-172.2	112.6	6.4	112.9	R157 Q158 S163 F179 E200 D206	R157-R161 WeakPolarHBondContact O-CG 3.34Å; R157-R161 PolarHBondContact O-N 2.9Å; Q158-R161 PolarHBondContact O-N 3.06Å; R161-S163 VanDerWaalsContact C-N 3.27Å; R161-S163 PolarHBondContact O-N 3.22Å; R161-F179 HydrophobicContact CG-CE2 4.07Å; R161-F179 HydrophobicContact CG-CZ 4.27Å; R161-E200 IonicContact CZ-OE1 2.93Å; R161-E200 VanDerWaalsContact CZ-OE1 3.23Å; R161-E200 IonicContact NH1-OE1 2.76Å; R161-E200 PolarHBondContact NH1-OE1 3.02Å; R161-E200 IonicContact NH2-OE1 2.96Å; R161-E200 PolarHBondContact NH2-OE1 3.4Å; R161-D206 IonicContact CZ-OD1 3.09Å; R161-D206 IonicContact CZ-OD2 3.73Å; R161-D206 IonicContact NE-OD1 3.53Å; R161-D206 IonicContact NE-OD2 2.7Å; R161-D206 PolarHBondContact NE-OD2 2.8Å; R161-D206 IonicContact NH2-OD1 3.78Å; R161-D206 PolarHBondContact NH2-OD1 3.4Å; R161-D206 IonicContact NH2-OD2 3.23Å; R161-D206 PolarHBondContact NH2-OD2 3.38Å
162	Q	97.9	Very high	97.2	Very high	114 Å²	114	48 Å²	48	53%	0.533	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.7	-179.3	-70.6	177.3	-19	0	0	113.7	Q158 A159 I160	Q158-Q162 WeakPolarHBondContact O-CG 3.3Å; Q158-Q162 PolarHBondContact O-N 3.48Å; A159-Q162 CarbonylContact O-C 3.6Å; A159-Q162 PolarHBondContact O-N 2.86Å; I160-Q162 VanDerWaalsContact C-N 3.29Å; I160-Q162 PolarHBondContact O-N 3.35Å
163	S	98.3	Very high	97.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-120.5	-176	67.6	0	0	0	0	111.6	A159 I160 R161 G165 S166 W386	A159-S163 VanDerWaalsContact O-CB 3.25Å; A159-S163 WeakPolarHBondContact O-CB 3.49Å; A159-S163 PolarHBondContact O-N 2.93Å; A159-S163 PolarHBondContact O-OG 2.96Å; I160-S163 CarbonylContact O-C 3.56Å; I160-S163 PolarHBondContact O-N 3.18Å; I160-S163 VanDerWaalsContact O-N 3.09Å; R161-S163 VanDerWaalsContact C-N 3.27Å; R161-S163 PolarHBondContact O-N 3.22Å; S163-G165 VanDerWaalsContact C-N 3.27Å; S163-G165 PolarHBondContact O-N 3.16Å; S163-S166 PolarHBondContact O-N 3.44Å; S163-W386 VanDerWaalsContact CA-CD1 3.45Å; S163-W386 PolarHBondContact O-NE1 3.29Å
164	W	98.1	Very high	97.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.8	-169.8	56.9	-98	0	0	0	114.2	L145 I147 I160 F241 V247 F248 V249 T251 W386	L145-W164 HydrophobicContact CD1-CE3 4.48Å; I147-W164 HydrophobicContact CD1-CH2 3.62Å; I147-W164 HydrophobicContact CD1-CZ3 3.74Å; I147-W164 HydrophobicContact CG1-CH2 4.07Å; I147-W164 HydrophobicContact CG1-CZ3 4.31Å; I160-W164 HydrophobicContact CB-CZ2 4.18Å; I160-W164 HydrophobicContact CD1-CH2 3.88Å; I160-W164 HydrophobicContact CD1-CZ2 3.49Å; I160-W164 VanDerWaalsContact CD1-CZ2 3.49Å; I160-W164 HydrophobicContact CG1-CH2 4.06Å; I160-W164 HydrophobicContact CG1-CZ2 3.4Å; I160-W164 HydrophobicContact CG2-CD2 4.24Å; I160-W164 HydrophobicContact CG2-CE3 4.14Å; I160-W164 HydrophobicContact CG2-CH2 3.72Å; I160-W164 HydrophobicContact CG2-CZ2 3.82Å; I160-W164 HydrophobicContact CG2-CZ3 3.88Å; W164-F241 HydrophobicContact CZ3-CE1 4.44Å; W164-V247 HydrophobicContact CH2-CG2 4.42Å; W164-V247 HydrophobicContact CZ2-CG2 4.18Å; W164-V247 VanDerWaalsContact CZ2-O 3.31Å; W164-V247 WeakPolarHBondContact CZ2-O 3.42Å; W164-V247 PolarHBondContact NE1-O 3.31Å; W164-V247 VanDerWaalsContact NE1-O 3.16Å; W164-F248 HydrophobicContact CB-CE2 4.3Å; W164-F248 AromaticContact CD1-CD2 3.64Å; W164-F248 HydrophobicContact CG-CD2 4.4Å; W164-V249 HydrophobicContact CB-CB 4.34Å; W164-V249 WeakPolarHBondContact CB-O 3.36Å; W164-V249 HydrophobicContact CD2-CB 3.74Å; W164-V249 HydrophobicContact CD2-CG2 3.88Å; W164-V249 HydrophobicContact CE3-CB 3.56Å; W164-V249 HydrophobicContact CE3-CG1 4.49Å; W164-V249 HydrophobicContact CE3-CG2 3.61Å; W164-V249 HydrophobicContact CG-CB 4.12Å; W164-V249 HydrophobicContact CH2-CG2 3.85Å; W164-V249 HydrophobicContact CZ2-CG2 4.08Å; W164-V249 HydrophobicContact CZ3-CB 4.08Å; W164-V249 HydrophobicContact CZ3-CG2 3.61Å; W164-T251 PolarHBondContact O-OG1 3.4Å; W164-W386 HydrophobicContact CB-CE3 3.88Å; W164-W386 HydrophobicContact CB-CZ3 3.96Å
165	G	98.1	Very high	97.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	18.4	178.2	0	0	0	0	0	113.9	I160 S163 A167 T177	I160-G165 CarbonylContact O-C 3.44Å; I160-G165 VanDerWaalsContact O-CA 3.26Å; I160-G165 WeakPolarHBondContact O-CA 3.3Å; I160-G165 PolarHBondContact O-N 2.79Å; S163-G165 VanDerWaalsContact C-N 3.27Å; S163-G165 PolarHBondContact O-N 3.16Å; G165-A167 PolarHBondContact O-N 3.06Å; G165-T177 WeakPolarHBondContact O-CB 3.47Å; G165-T177 PolarHBondContact O-OG1 2.84Å
166	S	96	Very high	97.2	Very high	49 Å²	49	41.9 Å²	41.9	34%	0.343	24%	0.24	S	C	.	.			trans	-57.2	127.4	173.3	-176.2	0	0	0	0	110.5	S163 I170	S163-S166 PolarHBondContact O-N 3.44Å; S166-I170 WeakPolarHBondContact O-CD1 3.44Å
167	A	95.4	Very high	97.2	Very high	62 Å²	62	38.8 Å²	38.8	51%	0.512	23%	0.229	S	C	.	.			trans	-83.2	157.5	172.6	0	0	0	0	0	111.2	G165 V175	G165-A167 PolarHBondContact O-N 3.06Å; A167-V175 WeakPolarHBondContact CA-O 3.33Å
168	G	95.5	Very high	97.2	Very high	35 Å²	35	38.8 Å²	38.8	36%	0.361	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	125.1	-158	178.2	0	0	0	0	0	113.2	V175	G168-V175 PolarHBondContact N-O 3.06Å; G168-V175 PolarHBondContact O-N 3.47Å
169	I	96.3	Very high	97.2	Very high	134 Å²	134	36 Å²	36	69%	0.687	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.2	178.3	-59.1	175	0	0	0	108.9
170	I	94.3	Very high	97.2	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.072	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.5	178.3	-57.5	-178.9	0	0	0	108.2	S166 N172 M173 V175 Y252 L255	S166-I170 WeakPolarHBondContact O-CD1 3.44Å; I170-N172 PolarHBondContact O-N 3.28Å; I170-M173 PolarHBondContact N-O 3.17Å; I170-M173 PolarHBondContact O-N 3.31Å; I170-M173 VanDerWaalsContact O-O 3.13Å; I170-V175 HydrophobicContact CB-CG2 4.05Å; I170-V175 HydrophobicContact CD1-CB 4.28Å; I170-V175 HydrophobicContact CD1-CG2 4.23Å; I170-V175 HydrophobicContact CG1-CG2 4.31Å; I170-Y252 HydrophobicContact CG2-CD1 3.87Å; I170-Y252 HydrophobicContact CG2-CE1 3.41Å; I170-Y252 VanDerWaalsContact CG2-CE1 3.41Å; I170-L255 HydrophobicContact CB-CD1 3.92Å; I170-L255 HydrophobicContact CG2-CD1 3.62Å
171	A	92.1	Very high	97.1	Very high	56 Å²	56	35.9 Å²	35.9	46%	0.463	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	42.6	-176.8	0	0	0	0	0	113.3	M173 L255	A171-M173 HydrophobicContact CB-CE 4.03Å; A171-M173 WeakPolarHBondContact O-CE 3.48Å; A171-M173 PolarHBondContact O-N 3.17Å; A171-L255 HydrophobicContact CB-CD1 4.3Å
172	N	94.7	Very high	97.1	Very high	158 Å²	158	34.5 Å²	34.5	85%	0.845	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	24.9	-176.8	-56.2	-19.6	0	0	0	114.7	I170	I170-N172 PolarHBondContact O-N 3.28Å
173	M	96.8	Very high	96.9	Very high	26 Å²	26	30.7 Å²	30.7	13%	0.128	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.9	178	-71	171.7	-77.8	0	0	109.8	F142 I170 A171 V175 L255	F142-M173 HydrophobicContact CB-CB 3.96Å; F142-M173 HydrophobicContact CB-CG 4.39Å; F142-M173 HydrophobicContact CD1-CB 4Å; F142-M173 HydrophobicContact CD1-CG 4.06Å; F142-M173 HydrophobicContact CD1-SD 3.58Å; F142-M173 VanDerWaalsContact CD1-SD 3.58Å; F142-M173 HydrophobicContact CD2-CG 4.3Å; F142-M173 HydrophobicContact CD2-SD 4.19Å; F142-M173 HydrophobicContact CE1-CG 4.44Å; F142-M173 HydrophobicContact CE1-SD 3.39Å; F142-M173 WeakPolarHBondContact CE1-SD 3.46Å; F142-M173 HydrophobicContact CE2-SD 4.02Å; F142-M173 HydrophobicContact CG-CB 3.99Å; F142-M173 HydrophobicContact CG-CG 3.99Å; F142-M173 HydrophobicContact CG-SD 3.98Å; F142-M173 HydrophobicContact CZ-SD 3.62Å; I170-M173 PolarHBondContact N-O 3.17Å; I170-M173 PolarHBondContact O-N 3.31Å; I170-M173 VanDerWaalsContact O-O 3.13Å; A171-M173 HydrophobicContact CB-CE 4.03Å; A171-M173 WeakPolarHBondContact O-CE 3.48Å; A171-M173 PolarHBondContact O-N 3.17Å; M173-V175 PolarHBondContact O-N 2.96Å; M173-L255 HydrophobicContact CB-CD2 4.19Å; M173-L255 HydrophobicContact CE-CB 3.69Å; M173-L255 HydrophobicContact CE-CD1 4.29Å; M173-L255 HydrophobicContact CE-CD2 4.02Å; M173-L255 HydrophobicContact CE-CG 4.21Å; M173-L255 HydrophobicContact SD-CD2 4.08Å
174	T	97.8	Very high	96.5	Very high	55 Å²	55	32 Å²	32	34%	0.337	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	123.3	177.5	-53.2	0	0	0	0	110.1	P141 F142 L143	P141-T174 HydrophobicContact CB-CG2 4.34Å; F142-T174 WeakPolarHBondContact CB-O 3.28Å; F142-T174 PolarHBondContact N-O 3.06Å; L143-T174 PolarHBondContact N-O 3.2Å
175	V	98.4	Very high	95.8	Very high	1 Å²	1	34 Å²	34	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.7	175.5	-176.2	0	0	0	0	109	L143 L145 A167 G168 I170 M173 L255	L143-V175 HydrophobicContact CB-CG2 4.37Å; L143-V175 WeakPolarHBondContact O-CA 3.32Å; L145-V175 HydrophobicContact CD1-CG1 3.86Å; L145-V175 HydrophobicContact CG-CG1 3.95Å; A167-V175 WeakPolarHBondContact CA-O 3.33Å; G168-V175 PolarHBondContact N-O 3.06Å; G168-V175 PolarHBondContact O-N 3.47Å; I170-V175 HydrophobicContact CB-CG2 4.05Å; I170-V175 HydrophobicContact CD1-CB 4.28Å; I170-V175 HydrophobicContact CD1-CG2 4.23Å; I170-V175 HydrophobicContact CG1-CG2 4.31Å; M173-V175 PolarHBondContact O-N 2.96Å; V175-L255 HydrophobicContact CG2-CD1 4.16Å; V175-L255 HydrophobicContact CG2-CD2 4.23Å
176	V	98.2	Very high	95.2	Very high	15 Å²	15	37.8 Å²	37.8	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.7	175.7	169.9	0	0	0	0	108.6	I136 P141 L143 L144 L145	I136-V176 HydrophobicContact CD1-CG1 3.63Å; I136-V176 HydrophobicContact CG1-CG1 3.69Å; P141-V176 HydrophobicContact CB-CB 4.09Å; P141-V176 HydrophobicContact CB-CG2 3.85Å; P141-V176 HydrophobicContact CG-CB 4.29Å; P141-V176 HydrophobicContact CG-CG2 4.27Å; L143-V176 PolarHBondContact O-N 2.8Å; L144-V176 CarbonylContact C-O 3.51Å; L144-V176 WeakPolarHBondContact CA-O 3.38Å; L144-V176 HydrophobicContact CD1-CB 4.1Å; L144-V176 HydrophobicContact CD1-CG1 3.79Å; L145-V176 PolarHBondContact N-O 2.96Å
177	T	98.6	Very high	94.5	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.4	177.5	-56.8	0	0	0	0	109.6	L145 I147 G165 F179 D206	L145-T177 HydrophobicContact CB-CG2 4.19Å; L145-T177 CarbonylContact O-C 3.57Å; L145-T177 WeakPolarHBondContact O-CA 3.45Å; I147-T177 HydrophobicContact CG1-CG2 4.29Å; G165-T177 WeakPolarHBondContact O-CB 3.47Å; G165-T177 PolarHBondContact O-OG1 2.84Å; T177-F179 HydrophobicContact CG2-CE2 4.3Å; T177-F179 HydrophobicContact CG2-CZ 4.16Å; T177-D206 WeakPolarHBondContact O-CB 3.33Å
178	V	98.7	Very high	94	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.7	171	-65.3	0	0	0	0	110.5	I136 L144 L145 A146 I147 L180 D206 V208 W229	I136-V178 HydrophobicContact CD1-CG1 3.51Å; I136-V178 HydrophobicContact CG2-CG1 4.36Å; L144-V178 HydrophobicContact CD1-CG1 4.33Å; L144-V178 HydrophobicContact CD1-CG2 4.09Å; L145-V178 PolarHBondContact O-N 2.91Å; A146-V178 HydrophobicContact CB-CG2 4.09Å; I147-V178 PolarHBondContact N-O 2.65Å; V178-L180 HydrophobicContact CG2-CD2 4.18Å; V178-D206 CarbonylContact C-O 3.46Å; V178-D206 WeakPolarHBondContact CA-O 3.3Å; V178-V208 HydrophobicContact CB-CG2 4.47Å; V178-W229 HydrophobicContact CG1-CH2 4.02Å
179	F	98.9	Very high	93.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.1	173.2	-62.5	-75.8	0	0	0	110.2	I147 R157 I160 R161 T177 L181 D206 V208	I147-F179 HydrophobicContact CB-CD1 3.72Å; I147-F179 HydrophobicContact CB-CE1 3.93Å; I147-F179 HydrophobicContact CG1-CD1 4.44Å; I147-F179 HydrophobicContact CG1-CE1 4.25Å; I147-F179 HydrophobicContact CG2-CD1 3.98Å; I147-F179 HydrophobicContact CG2-CE1 4.01Å; I147-F179 CarbonylContact O-C 2.93Å; I147-F179 WeakPolarHBondContact O-CA 3.47Å; R157-F179 HydrophobicContact CB-CD1 4.22Å; R157-F179 HydrophobicContact CB-CD2 4.35Å; R157-F179 HydrophobicContact CB-CE1 3.89Å; R157-F179 HydrophobicContact CB-CE2 4.03Å; R157-F179 HydrophobicContact CB-CG 4.44Å; R157-F179 HydrophobicContact CB-CZ 3.78Å; R157-F179 VanDerWaalsContact CD-CG 3.49Å; R157-F179 HydrophobicContact CG-CD1 3.55Å; R157-F179 HydrophobicContact CG-CD2 4.23Å; R157-F179 HydrophobicContact CG-CE1 3.68Å; R157-F179 HydrophobicContact CG-CE2 4.32Å; R157-F179 HydrophobicContact CG-CG 3.85Å; R157-F179 HydrophobicContact CG-CZ 4.06Å; I160-F179 HydrophobicContact CB-CE1 4.25Å; I160-F179 HydrophobicContact CB-CZ 4.11Å; I160-F179 HydrophobicContact CD1-CE1 4.07Å; I160-F179 HydrophobicContact CG2-CE1 4.06Å; I160-F179 HydrophobicContact CG2-CZ 3.92Å; R161-F179 HydrophobicContact CG-CE2 4.07Å; R161-F179 HydrophobicContact CG-CZ 4.27Å; T177-F179 HydrophobicContact CG2-CE2 4.3Å; T177-F179 HydrophobicContact CG2-CZ 4.16Å; F179-L181 HydrophobicContact CB-CD1 3.7Å; F179-D206 HydrophobicContact CD2-CB 4.42Å; F179-D206 WeakPolarHBondContact CE2-OD2 3.32Å; F179-D206 PolarHBondContact N-O 3.35Å; F179-V208 PolarHBondContact O-N 2.89Å
180	L	98.8	Very high	93.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	112	-174.7	-50.9	178.5	0	0	0	110.5	A146 I147 S149 V178 W210 K222 F226	A146-L180 HydrophobicContact CB-CD1 4.21Å; I147-L180 PolarHBondContact O-N 3.33Å; S149-L180 PolarHBondContact N-O 2.76Å; S149-L180 VanDerWaalsContact N-O 3.12Å; S149-L180 VanDerWaalsContact O-O 3.08Å; V178-L180 HydrophobicContact CG2-CD2 4.18Å; L180-W210 HydrophobicContact CB-CZ3 4.24Å; L180-W210 HydrophobicContact CD2-CH2 3.92Å; L180-W210 HydrophobicContact CD2-CZ3 4.05Å; L180-K222 HydrophobicContact CB-CD 3.97Å; L180-K222 HydrophobicContact CB-CG 4.1Å; L180-K222 WeakPolarHBondContact O-CE 3.37Å; L180-K222 PolarHBondContact O-NZ 2.92Å; L180-K222 VanDerWaalsContact O-NZ 3.11Å; L180-F226 HydrophobicContact CD1-CB 3.86Å; L180-F226 HydrophobicContact CD1-CD1 4.11Å; L180-F226 HydrophobicContact CD1-CD2 3.96Å; L180-F226 HydrophobicContact CD1-CG 3.69Å; L180-F226 HydrophobicContact CD2-CB 4.37Å; L180-F226 HydrophobicContact CD2-CD2 3.68Å; L180-F226 HydrophobicContact CD2-CE2 4.34Å; L180-F226 HydrophobicContact CD2-CG 4.2Å; L180-F226 HydrophobicContact CG-CD2 4.48Å
181	L	98.6	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.2	-174.7	-74.7	70.8	0	0	0	111.8	F179 L197 I207 V208 Q209 W210	F179-L181 HydrophobicContact CB-CD1 3.7Å; L181-L197 HydrophobicContact CD2-CD1 3.62Å; L181-L197 HydrophobicContact CD2-CD2 3.77Å; L181-L197 HydrophobicContact CD2-CG 4.3Å; L181-I207 HydrophobicContact CD1-CG2 4.36Å; L181-I207 HydrophobicContact CD2-CG2 4.4Å; L181-V208 PolarHBondContact N-O 3.49Å; L181-Q209 HydrophobicContact CB-CB 4.37Å; L181-Q209 HydrophobicContact CB-CG 4.28Å; L181-Q209 WeakPolarHBondContact O-CA 3.05Å; L181-W210 PolarHBondContact O-N 3.13Å; L181-W210 VanDerWaalsContact O-N 3.09Å
182	G	97.4	Very high	93.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-165.8	155.4	0	0	0	0	0	110.7	W210 F212 D214	G182-W210 WeakPolarHBondContact CA-O 3.41Å; G182-F212 CarbonylContact C-O 3.53Å; G182-F212 WeakPolarHBondContact CA-O 3.4Å; G182-D214 PolarHBondContact N-OD2 2.99Å
183	N	94.2	Very high	93.3	Very high	34 Å²	34	43.8 Å²	43.8	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.3	175.7	-70	-14.2	0	0	0	111.8	L130 T185 Q209 D211 F212 D214	L130-N183 WeakPolarHBondContact CD1-OD1 2.75Å; N183-T185 HydrophobicContact CB-CG2 3.98Å; N183-Q209 PolarHBondContact OD1-NE2 3.07Å; N183-D211 PolarHBondContact ND2-OD1 3.07Å; N183-F212 PolarHBondContact N-O 2.84Å; N183-D214 PolarHBondContact O-N 3.16Å
184	A	89.1	Confident	93.1	Very high	26 Å²	26	44.9 Å²	44.9	22%	0.215	26%	0.263	C	S	.	.			trans	-91.4	116.7	160.9	0	0	0	0	0	107.9	A151 H190	A151-A184 HydrophobicContact CB-CB 3.69Å; A184-H190 HydrophobicContact CB-CB 3.83Å
185	T	84.9	Confident	93	Very high	42 Å²	42	49.9 Å²	49.9	26%	0.258	28%	0.283	S	S	.	.			trans	-113.2	158.5	-171.9	72.6	0	0	0	0	112.1	N183 V187 D188 H190	N183-T185 HydrophobicContact CB-CG2 3.98Å; T185-V187 PolarHBondContact O-N 3.48Å; T185-D188 PolarHBondContact O-N 2.8Å; T185-H190 PolarHBondContact O-N 3.21Å
186	A	83.7	Confident	93	Very high	81 Å²	81	55 Å²	55	67%	0.669	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25.4	175.1	0	0	0	0	0	113.2	D188 H189	A186-D188 PolarHBondContact O-N 3.42Å; A186-H189 PolarHBondContact O-N 2.81Å
187	V	83.1	Confident	92.9	Very high	109 Å²	109	54.5 Å²	54.5	66%	0.661	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-59.8	-30.6	174.3	178.7	0	0	0	0	111.4	T185	T185-V187 PolarHBondContact O-N 3.48Å
188	D	84.1	Confident	92.9	Very high	44 Å²	44	58 Å²	58	24%	0.235	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-97.9	17.3	177	-66.6	-52.1	0	0	0	112.7	T185 A186 H190 R213	T185-D188 PolarHBondContact O-N 2.8Å; A186-D188 PolarHBondContact O-N 3.42Å; D188-H190 PolarHBondContact O-N 3.22Å; D188-R213 IonicContact OD1-CZ 3.22Å; D188-R213 IonicContact OD1-NE 3.77Å; D188-R213 PolarHBondContact OD1-NE 3.32Å; D188-R213 IonicContact OD1-NH2 2.76Å; D188-R213 PolarHBondContact OD1-NH2 3.19Å; D188-R213 WeakPolarHBondContact OD2-CG 3.13Å; D188-R213 IonicContact OD2-CZ 2.78Å; D188-R213 IonicContact OD2-NE 3.4Å; D188-R213 PolarHBondContact OD2-NE 2.94Å; D188-R213 IonicContact OD2-NH2 2.65Å
189	H	88.3	Confident	92.9	Very high	180 Å²	180	65.9 Å²	65.9	83%	0.833	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	27.3	-178.1	-51.4	-68.4	0	0	0	114.3	A186	A186-H189 PolarHBondContact O-N 2.81Å
190	H	89.1	Confident	92.9	Very high	54 Å²	54	66.4 Å²	66.4	25%	0.25	35%	0.354	C	S	.	.			trans	-87.4	138.8	171.3	-70.4	-64.4	0	0	0	111.3	A184 T185 D188	A184-H190 HydrophobicContact CB-CB 3.83Å; T185-H190 PolarHBondContact O-N 3.21Å; D188-H190 PolarHBondContact O-N 3.22Å
191	P	92.2	Very high	92.8	Very high	81 Å²	81	67 Å²	67	53%	0.526	36%	0.358	S	S	.	.			trans	-67.1	157.7	168.7	29.6	-33	0	0	0	110.4	L193	P191-L193 HydrophobicContact CG-CD1 4.07Å; P191-L193 HydrophobicContact CG-CD2 4.19Å; P191-L193 HydrophobicContact CG-CG 4Å; P191-L193 PolarHBondContact O-N 3.13Å
192	D	92.8	Very high	92.8	Very high	135 Å²	135	75.7 Å²	75.7	72%	0.722	39%	0.391	S	S	*	.			trans	-69.7	115.3	169.4	-172.8	-2.3	0	0	0	109.4	S194	D192-S194 WeakPolarHBondContact OD1-CB 3.27Å; D192-S194 PolarHBondContact OD1-N 3.4Å; D192-S194 PolarHBondContact OD1-OG 2.78Å
193	L	94.7	Very high	92.8	Very high	31 Å²	31	83.3 Å²	83.3	16%	0.162	42%	0.419	C	S	.	.			trans	-119.3	13.5	-179.5	-63.1	168.4	0	0	0	111.3	P152 F154 P191 E195 M196 L197	P152-L193 HydrophobicContact CB-CD1 3.77Å; F154-L193 HydrophobicContact CE2-CB 4.36Å; F154-L193 HydrophobicContact CE2-CD1 4.1Å; F154-L193 HydrophobicContact CE2-CD2 4.3Å; F154-L193 HydrophobicContact CE2-CG 4.49Å; F154-L193 HydrophobicContact CZ-CB 4.32Å; P191-L193 HydrophobicContact CG-CD1 4.07Å; P191-L193 HydrophobicContact CG-CD2 4.19Å; P191-L193 HydrophobicContact CG-CG 4Å; P191-L193 PolarHBondContact O-N 3.13Å; L193-E195 PolarHBondContact O-N 2.88Å; L193-M196 HydrophobicContact CD2-SD 3.84Å; L193-M196 PolarHBondContact O-N 3.45Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 PolarHBondContact O-N 3.41Å
194	S	93.8	Very high	93	Very high	49 Å²	49	84.7 Å²	84.7	34%	0.343	43%	0.425	S	S	.	.	H	α-helix	trans	-59.3	-45.4	-172.7	58.2	0	0	0	0	112.5	D192 L197 Q198	D192-S194 WeakPolarHBondContact OD1-CB 3.27Å; D192-S194 PolarHBondContact OD1-N 3.4Å; D192-S194 PolarHBondContact OD1-OG 2.78Å; S194-L197 PolarHBondContact O-N 3.31Å; S194-Q198 WeakPolarHBondContact O-CG 3.42Å; S194-Q198 PolarHBondContact O-N 2.84Å
195	E	95.7	Very high	93.4	Very high	161 Å²	161	90.3 Å²	90.3	75%	0.752	44%	0.444	S	S	*	.	H	α-helix	trans	-64.1	-43.5	177.5	-66.7	-169.4	166.1	0	0	112.5	L193 L197 Q198 Y199	L193-E195 PolarHBondContact O-N 2.88Å; E195-L197 VanDerWaalsContact C-N 3.3Å; E195-L197 PolarHBondContact O-N 3.02Å; E195-Q198 PolarHBondContact O-N 3.35Å; E195-Y199 PolarHBondContact O-N 3.27Å
196	M	97.4	Very high	94.1	Very high	109 Å²	109	89 Å²	89	54%	0.537	44%	0.436	S	S	.	.	H	α-helix	trans	-63	-39.5	176.7	-67.9	-179.7	67.3	0	0	111.3	F154 L193 Y199 E200	F154-M196 HydrophobicContact CE1-CB 4.13Å; F154-M196 HydrophobicContact CE2-CB 4.44Å; F154-M196 HydrophobicContact CE2-CE 4.24Å; F154-M196 HydrophobicContact CZ-CB 3.7Å; F154-M196 HydrophobicContact CZ-CE 4.47Å; L193-M196 HydrophobicContact CD2-SD 3.84Å; L193-M196 PolarHBondContact O-N 3.45Å; M196-Y199 PolarHBondContact O-N 2.9Å; M196-E200 PolarHBondContact O-N 2.99Å
197	L	97.8	Very high	94.8	Very high	3 Å²	3	85.2 Å²	85.2	2%	0.016	40%	0.404	C	S	.	.	H	α-helix	trans	-69.5	-39.1	177.8	-167	65.3	0	0	0	112	M131 A151 F154 L181 L193 S194 E195 Y199 E200 S201 I207 Q209	M131-L197 HydrophobicContact CE-CB 4.47Å; M131-L197 HydrophobicContact CE-CD2 4.42Å; M131-L197 HydrophobicContact CE-CG 4.3Å; M131-L197 HydrophobicContact SD-CG 4.47Å; A151-L197 HydrophobicContact CB-CD2 4.27Å; F154-L197 HydrophobicContact CE1-CD1 4.17Å; L181-L197 HydrophobicContact CD2-CD1 3.62Å; L181-L197 HydrophobicContact CD2-CD2 3.77Å; L181-L197 HydrophobicContact CD2-CG 4.3Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 PolarHBondContact O-N 3.41Å; S194-L197 PolarHBondContact O-N 3.31Å; E195-L197 VanDerWaalsContact C-N 3.3Å; E195-L197 PolarHBondContact O-N 3.02Å; L197-Y199 VanDerWaalsContact C-N 3.34Å; L197-E200 PolarHBondContact O-N 3.21Å; L197-S201 WeakPolarHBondContact O-CB 2.89Å; L197-S201 PolarHBondContact O-N 2.86Å; L197-I207 HydrophobicContact CD1-CD1 3.77Å; L197-I207 HydrophobicContact CG-CD1 4.5Å; L197-Q209 VanDerWaalsContact CD2-OE1 3.3Å
198	Q	97.6	Very high	95.5	Very high	80 Å²	80	80 Å²	80	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-43.1	172.2	-76.4	180	33.2	0	0	111.5	M131 S194 E195 S201 R202	M131-Q198 HydrophobicContact CE-CB 4.2Å; M131-Q198 HydrophobicContact CE-CG 3.36Å; S194-Q198 WeakPolarHBondContact O-CG 3.42Å; S194-Q198 PolarHBondContact O-N 2.84Å; E195-Q198 PolarHBondContact O-N 3.35Å; Q198-S201 PolarHBondContact O-N 2.04Å; Q198-R202 VanDerWaalsContact O-CG 3.3Å; Q198-R202 WeakPolarHBondContact O-CG 3.2Å; Q198-R202 PolarHBondContact O-N 2.93Å
199	Y	98.3	Very high	96.2	Very high	164 Å²	164	78.7 Å²	78.7	64%	0.643	37%	0.365	S	S	*	.	H	α-helix	trans	-61.6	-47.1	175.6	177.4	-95.8	0	0	0	111.4	E195 M196 L197 S201 R202 R203	E195-Y199 PolarHBondContact O-N 3.27Å; M196-Y199 PolarHBondContact O-N 2.9Å; L197-Y199 VanDerWaalsContact C-N 3.34Å; Y199-S201 PolarHBondContact O-N 3.29Å; Y199-R202 PolarHBondContact O-N 2.98Å; Y199-R203 VanDerWaalsContact O-CB 3.24Å; Y199-R203 WeakPolarHBondContact O-CB 3.48Å; Y199-R203 PolarHBondContact O-N 3Å
200	E	98.6	Very high	96.7	Very high	12 Å²	12	70.4 Å²	70.4	6%	0.056	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-46.9	176	-170.6	-171.5	-176.7	0	0	111.5	F154 R157 R161 M196 L197 R203 H204 I207	F154-E200 WeakPolarHBondContact CD1-OE2 3.46Å; F154-E200 HydrophobicContact CE1-CB 4.34Å; F154-E200 WeakPolarHBondContact CE1-OE2 3.35Å; R157-E200 IonicContact CZ-OE1 3.29Å; R157-E200 IonicContact CZ-OE2 3.67Å; R157-E200 VanDerWaalsContact CZ-OE2 3.29Å; R157-E200 IonicContact NE-OE1 3.79Å; R157-E200 PolarHBondContact NE-OE1 2.65Å; R157-E200 IonicContact NE-OE2 2.69Å; R157-E200 PolarHBondContact NE-OE2 2.87Å; R157-E200 VanDerWaalsContact NE-OE2 3.09Å; R157-E200 IonicContact NH2-OE1 2.68Å; R157-E200 IonicContact NH2-OE2 2.76Å; R157-E200 PolarHBondContact NH2-OE2 2.95Å; R161-E200 IonicContact CZ-OE1 2.93Å; R161-E200 VanDerWaalsContact CZ-OE1 3.23Å; R161-E200 IonicContact NH1-OE1 2.76Å; R161-E200 PolarHBondContact NH1-OE1 3.02Å; R161-E200 IonicContact NH2-OE1 2.96Å; R161-E200 PolarHBondContact NH2-OE1 3.4Å; M196-E200 PolarHBondContact O-N 2.99Å; L197-E200 PolarHBondContact O-N 3.21Å; E200-R203 PolarHBondContact O-N 3.2Å; E200-H204 WeakPolarHBondContact O-CB 3.29Å; E200-H204 PolarHBondContact O-CD2 2.89Å; E200-H204 PolarHBondContact O-N 2.94Å; E200-I207 HydrophobicContact CB-CD1 4.01Å; E200-I207 HydrophobicContact CG-CD1 3.78Å; E200-I207 WeakPolarHBondContact OE2-CD1 3.49Å
201	S	98.3	Very high	97	Very high	12 Å²	12	71.2 Å²	71.2	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-46.5	179	-178.6	0	0	0	0	111.8	Q133 L197 Q198 Y199 R203 K205	Q133-S201 PolarHBondContact NE2-OG 3.38Å; Q133-S201 VanDerWaalsContact NE2-OG 3.13Å; L197-S201 WeakPolarHBondContact O-CB 2.89Å; L197-S201 PolarHBondContact O-N 2.86Å; Q198-S201 PolarHBondContact O-N 2.04Å; Y199-S201 PolarHBondContact O-N 3.29Å; S201-R203 VanDerWaalsContact C-N 3.29Å; S201-R203 PolarHBondContact O-N 3.11Å; S201-K205 VanDerWaalsContact O-CA 3.25Å; S201-K205 WeakPolarHBondContact O-CA 3.43Å; S201-K205 PolarHBondContact O-N 3.42Å
202	R	97.9	Very high	97.2	Very high	183 Å²	183	67.6 Å²	67.6	69%	0.691	31%	0.309	S	S	*	.	H	α-helix	trans	-62.9	-36.3	175.9	-70.6	175	-167.2	165	9.1	112.4	Q198 Y199	Q198-R202 VanDerWaalsContact O-CG 3.3Å; Q198-R202 WeakPolarHBondContact O-CG 3.2Å; Q198-R202 PolarHBondContact O-N 2.93Å; Y199-R202 PolarHBondContact O-N 2.98Å
203	R	97.9	Very high	97.3	Very high	159 Å²	159	65.1 Å²	65.1	60%	0.6	29%	0.289	S	S	*	.	H	α-helix	trans	-75.8	-37.4	-176	-178.7	66.1	-176.9	81.5	-2.5	113.2	Y199 E200 S201	Y199-R203 VanDerWaalsContact O-CB 3.24Å; Y199-R203 WeakPolarHBondContact O-CB 3.48Å; Y199-R203 PolarHBondContact O-N 3Å; E200-R203 PolarHBondContact O-N 3.2Å; S201-R203 VanDerWaalsContact C-N 3.29Å; S201-R203 PolarHBondContact O-N 3.11Å
204	H	98.1	Very high	97.4	Very high	64 Å²	64	64.2 Å²	64.2	30%	0.296	28%	0.284	S	S	.	.	H	α-helix	trans	-112.4	-22	-171.3	-65.8	-72.6	0	0	0	114.4	E200 D206	E200-H204 WeakPolarHBondContact O-CB 3.29Å; E200-H204 PolarHBondContact O-CD2 2.89Å; E200-H204 PolarHBondContact O-N 2.94Å; H204-D206 WeakPolarHBondContact CB-OD1 3.02Å; H204-D206 PolarHBondContact O-N 3.13Å
205	K	97.7	Very high	97.4	Very high	144 Å²	144	63.4 Å²	63.4	63%	0.626	28%	0.279	S	S	*	.	S	Bend	trans	54.1	36.3	177.8	-56.6	-175.9	178.3	-174.2	0	114.2	Q133 I136 S201	Q133-K205 WeakPolarHBondContact CG-O 3.39Å; Q133-K205 VanDerWaalsContact OE1-CA 3.25Å; Q133-K205 PolarHBondContact OE1-O 3.18Å; I136-K205 WeakPolarHBondContact CD1-O 3.27Å; S201-K205 VanDerWaalsContact O-CA 3.25Å; S201-K205 WeakPolarHBondContact O-CA 3.43Å; S201-K205 PolarHBondContact O-N 3.42Å
206	D	98.3	Very high	97.3	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.08	25%	0.254	C	S	.	.			trans	-131.9	17.2	-175.1	61.8	6.7	0	0	0	113.1	R161 T177 V178 F179 H204	R161-D206 IonicContact CZ-OD1 3.09Å; R161-D206 IonicContact CZ-OD2 3.73Å; R161-D206 IonicContact NE-OD1 3.53Å; R161-D206 IonicContact NE-OD2 2.7Å; R161-D206 PolarHBondContact NE-OD2 2.8Å; R161-D206 IonicContact NH2-OD1 3.78Å; R161-D206 PolarHBondContact NH2-OD1 3.4Å; R161-D206 IonicContact NH2-OD2 3.23Å; R161-D206 PolarHBondContact NH2-OD2 3.38Å; T177-D206 WeakPolarHBondContact O-CB 3.33Å; V178-D206 CarbonylContact C-O 3.46Å; V178-D206 WeakPolarHBondContact CA-O 3.3Å; F179-D206 HydrophobicContact CD2-CB 4.42Å; F179-D206 WeakPolarHBondContact CE2-OD2 3.32Å; F179-D206 PolarHBondContact N-O 3.35Å; H204-D206 WeakPolarHBondContact CB-OD1 3.02Å; H204-D206 PolarHBondContact O-N 3.13Å
207	I	98.7	Very high	97.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.9	-179.8	-64	-179.2	0	0	0	110	M131 Q133 L181 L197 E200	M131-I207 HydrophobicContact SD-CG2 4.42Å; Q133-I207 WeakPolarHBondContact CG-O 3.36Å; Q133-I207 PolarHBondContact NE2-O 3.15Å; L181-I207 HydrophobicContact CD1-CG2 4.36Å; L181-I207 HydrophobicContact CD2-CG2 4.4Å; L197-I207 HydrophobicContact CD1-CD1 3.77Å; L197-I207 HydrophobicContact CG-CD1 4.5Å; E200-I207 HydrophobicContact CB-CD1 4.01Å; E200-I207 HydrophobicContact CG-CD1 3.78Å; E200-I207 WeakPolarHBondContact OE2-CD1 3.49Å
208	V	98.6	Very high	97.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.2	166.6	-171.1	0	0	0	0	108	M131 V178 F179 L181 W210 W229	M131-V208 WeakPolarHBondContact O-CA 3.47Å; V178-V208 HydrophobicContact CB-CG2 4.47Å; F179-V208 PolarHBondContact O-N 2.89Å; L181-V208 PolarHBondContact N-O 3.49Å; V208-W210 HydrophobicContact CB-CH2 3.97Å; V208-W210 HydrophobicContact CB-CZ3 4.1Å; V208-W210 HydrophobicContact CG1-CD2 4.29Å; V208-W210 HydrophobicContact CG1-CE3 4.15Å; V208-W210 HydrophobicContact CG1-CH2 3.31Å; V208-W210 HydrophobicContact CG1-CZ2 3.46Å; V208-W210 VanDerWaalsContact CG1-CZ2 3.46Å; V208-W210 HydrophobicContact CG1-CZ3 3.68Å; V208-W229 HydrophobicContact CG1-CG 4.3Å; V208-W229 HydrophobicContact CG2-CD2 4.38Å; V208-W229 HydrophobicContact CG2-CH2 4.45Å; V208-W229 HydrophobicContact CG2-CZ2 3.76Å
209	Q	98.5	Very high	97.2	Very high	17 Å²	17	52 Å²	52	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.7	-179.4	-175	-176.6	-1.9	0	0	110.5	L130 M131 L181 N183 L197	L130-Q209 HydrophobicContact CB-CB 4.46Å; L130-Q209 HydrophobicContact CB-CG 4.32Å; L130-Q209 HydrophobicContact CD1-CG 4.35Å; L130-Q209 PolarHBondContact N-O 3.47Å; M131-Q209 HydrophobicContact CB-CB 3.99Å; M131-Q209 VanDerWaalsContact CE-OE1 3.3Å; M131-Q209 HydrophobicContact CG-CB 4.21Å; M131-Q209 PolarHBondContact N-O 2.75Å; M131-Q209 PolarHBondContact O-N 3.41Å; L181-Q209 HydrophobicContact CB-CB 4.37Å; L181-Q209 HydrophobicContact CB-CG 4.28Å; L181-Q209 WeakPolarHBondContact O-CA 3.05Å; N183-Q209 PolarHBondContact OD1-NE2 3.07Å; L197-Q209 VanDerWaalsContact CD2-OE1 3.3Å
210	W	98.4	Very high	97.2	Very high	6 Å²	6	44.2 Å²	44.2	2%	0.023	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	156.1	172.5	-63.5	-95.8	0	0	0	111.8	P128 L180 L181 G182 V208 F212 L225 F226 W229	P128-W210 CarbonylContact O-C 3.59Å; P128-W210 VanDerWaalsContact O-CA 3.3Å; P128-W210 WeakPolarHBondContact O-CA 3.05Å; L180-W210 HydrophobicContact CB-CZ3 4.24Å; L180-W210 HydrophobicContact CD2-CH2 3.92Å; L180-W210 HydrophobicContact CD2-CZ3 4.05Å; L181-W210 PolarHBondContact O-N 3.13Å; L181-W210 VanDerWaalsContact O-N 3.09Å; G182-W210 WeakPolarHBondContact CA-O 3.41Å; V208-W210 HydrophobicContact CB-CH2 3.97Å; V208-W210 HydrophobicContact CB-CZ3 4.1Å; V208-W210 HydrophobicContact CG1-CD2 4.29Å; V208-W210 HydrophobicContact CG1-CE3 4.15Å; V208-W210 HydrophobicContact CG1-CH2 3.31Å; V208-W210 HydrophobicContact CG1-CZ2 3.46Å; V208-W210 VanDerWaalsContact CG1-CZ2 3.46Å; V208-W210 HydrophobicContact CG1-CZ3 3.68Å; W210-F212 HydrophobicContact CB-CD1 3.71Å; W210-F212 HydrophobicContact CB-CE1 4.01Å; W210-F212 PolarHBondContact O-N 2.95Å; W210-L225 HydrophobicContact CB-CD1 3.78Å; W210-L225 HydrophobicContact CD2-CB 3.95Å; W210-L225 HydrophobicContact CD2-CD1 4.13Å; W210-L225 HydrophobicContact CG-CB 4.22Å; W210-L225 HydrophobicContact CG-CD1 3.7Å; W210-L225 HydrophobicContact CG-CG 4.44Å; W210-L225 HydrophobicContact CZ2-CB 4.03Å; W210-L225 WeakPolarHBondContact CZ2-O 3.42Å; W210-F226 HydrophobicContact CH2-CB 4.42Å; W210-W229 HydrophobicContact CH2-CB 4.42Å; W210-W229 HydrophobicContact CZ2-CB 3.71Å; W210-W229 HydrophobicContact CZ2-CG 4.04Å
211	D	96.6	Very high	97.1	Very high	71 Å²	71	44 Å²	44	38%	0.38	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	57.3	-178.4	-165.5	25.9	0	0	0	113	Y127 P128 L130 N183	Y127-D211 VanDerWaalsContact CD1-O 3.23Å; Y127-D211 WeakPolarHBondContact CD1-O 3.39Å; P128-D211 HydrophobicContact CB-CB 4.3Å; P128-D211 HydrophobicContact CG-CB 4.48Å; P128-D211 PolarHBondContact O-N 3.34Å; L130-D211 HydrophobicContact CD1-CB 3.85Å; L130-D211 HydrophobicContact CD2-CB 3.92Å; L130-D211 HydrophobicContact CG-CB 3.82Å; N183-D211 PolarHBondContact ND2-OD1 3.07Å
212	F	96.1	Very high	97.1	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.2	171.8	77	-81.3	0	0	0	110.7	Y127 G182 N183 W210 D214 N218 V221 K222 L225	Y127-F212 HydrophobicContact CD1-CB 3.54Å; Y127-F212 HydrophobicContact CD2-CB 4.11Å; Y127-F212 HydrophobicContact CE1-CB 3.68Å; Y127-F212 HydrophobicContact CE2-CB 4.26Å; Y127-F212 HydrophobicContact CG-CB 3.74Å; G182-F212 CarbonylContact C-O 3.53Å; G182-F212 WeakPolarHBondContact CA-O 3.4Å; N183-F212 PolarHBondContact N-O 2.84Å; W210-F212 HydrophobicContact CB-CD1 3.71Å; W210-F212 HydrophobicContact CB-CE1 4.01Å; W210-F212 PolarHBondContact O-N 2.95Å; F212-D214 HydrophobicContact CE2-CB 4.46Å; F212-D214 PolarHBondContact O-N 3.14Å; F212-D214 VanDerWaalsContact O-N 3.17Å; F212-N218 HydrophobicContact CD2-CB 3.91Å; F212-N218 HydrophobicContact CE2-CB 3.94Å; F212-V221 HydrophobicContact CB-CG1 4.43Å; F212-V221 HydrophobicContact CD1-CG1 4.44Å; F212-V221 HydrophobicContact CD2-CG1 4.16Å; F212-V221 HydrophobicContact CG-CG1 4.08Å; F212-K222 HydrophobicContact CE2-CB 4.4Å; F212-K222 HydrophobicContact CZ-CB 3.75Å; F212-K222 HydrophobicContact CZ-CG 4.15Å; F212-L225 HydrophobicContact CD1-CD1 3.75Å; F212-L225 HydrophobicContact CE1-CD1 4.03Å
213	R	95.2	Very high	97.1	Very high	84 Å²	84	34.9 Å²	34.9	32%	0.317	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	115	175	179.4	-177	172.2	-156.9	3.1	110.3	D117 D188 S215 N218	D117-R213 IonicContact OD2-NH1 2.83Å; D117-R213 PolarHBondContact OD2-NH1 3.03Å; D188-R213 IonicContact OD1-CZ 3.22Å; D188-R213 IonicContact OD1-NE 3.77Å; D188-R213 PolarHBondContact OD1-NE 3.32Å; D188-R213 IonicContact OD1-NH2 2.76Å; D188-R213 PolarHBondContact OD1-NH2 3.19Å; D188-R213 WeakPolarHBondContact OD2-CG 3.13Å; D188-R213 IonicContact OD2-CZ 2.78Å; D188-R213 IonicContact OD2-NE 3.4Å; D188-R213 PolarHBondContact OD2-NE 2.94Å; D188-R213 IonicContact OD2-NH2 2.65Å; R213-S215 PolarHBondContact O-N 3.12Å; R213-S215 VanDerWaalsContact O-N 3.13Å; R213-N218 PolarHBondContact O-ND2 3.38Å
214	D	95.6	Very high	97.1	Very high	11 Å²	11	27.4 Å²	27.4	6%	0.059	13%	0.13	C	C	.	.			trans	-78.8	100.2	-176.2	-154.4	-18.9	0	0	0	110.7	L150 G182 N183 F212 K222	L150-D214 HydrophobicContact CD2-CB 3.95Å; L150-D214 VanDerWaalsContact CD2-CG 3.43Å; G182-D214 PolarHBondContact N-OD2 2.99Å; N183-D214 PolarHBondContact O-N 3.16Å; F212-D214 HydrophobicContact CE2-CB 4.46Å; F212-D214 PolarHBondContact O-N 3.14Å; F212-D214 VanDerWaalsContact O-N 3.17Å; D214-K222 VanDerWaalsContact OD1-CE 3.31Å; D214-K222 WeakPolarHBondContact OD1-CE 3.25Å; D214-K222 IonicContact OD1-NZ 3.9Å; D214-K222 PolarHBondContact OD1-NZ 2.87Å; D214-K222 WeakPolarHBondContact OD2-CE 3.44Å; D214-K222 IonicContact OD2-NZ 3.9Å; D214-K222 PolarHBondContact OD2-NZ 3.08Å
215	S	94.1	Very high	97.1	Very high	33 Å²	33	24.5 Å²	24.5	23%	0.231	12%	0.116	C	C	.	.			trans	-136.6	162.9	-178.5	76.1	0	0	0	0	110.6	R213 F217 N218 L219	R213-S215 PolarHBondContact O-N 3.12Å; R213-S215 VanDerWaalsContact O-N 3.13Å; S215-F217 VanDerWaalsContact C-N 3.27Å; S215-F217 PolarHBondContact O-N 2.85Å; S215-N218 CarbonylContact O-C 3.58Å; S215-N218 WeakPolarHBondContact O-CA 3.04Å; S215-N218 PolarHBondContact O-N 3.26Å; S215-N218 PolarHBondContact OG-ND2 3.12Å; S215-L219 PolarHBondContact O-N 2.67Å
216	F	93.9	Very high	97.2	Very high	51 Å²	51	17.6 Å²	17.6	22%	0.224	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-54.7	-40.4	-178.8	-179.6	-104.7	0	0	0	113.2	N218 L219 K287 Y288	F216-N218 VanDerWaalsContact C-N 3.31Å; F216-N218 PolarHBondContact O-N 3.07Å; F216-L219 HydrophobicContact CD2-CD1 3.75Å; F216-L219 HydrophobicContact CE2-CD1 4.04Å; F216-L219 WeakPolarHBondContact O-CB 3.31Å; F216-L219 WeakPolarHBondContact O-CG 3.3Å; F216-L219 PolarHBondContact O-N 3.25Å; F216-K287 VanDerWaalsContact CE2-CE 3.48Å; F216-Y288 HydrophobicContact CE1-CD1 4.18Å; F216-Y288 HydrophobicContact CE1-CE1 4.36Å; F216-Y288 AromaticContact CE2-CE1 3.9Å; F216-Y288 HydrophobicContact CE2-CE1 3.9Å; F216-Y288 AromaticContact CZ-CD1 3.56Å; F216-Y288 HydrophobicContact CZ-CD1 3.56Å; F216-Y288 AromaticContact CZ-CE1 3.36Å; F216-Y288 HydrophobicContact CZ-CE1 3.36Å
217	F	95.9	Very high	97.2	Very high	7 Å²	7	17 Å²	17	3%	0.031	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-76.8	-17.1	178.5	-77	7	0	0	0	113.8	R114 F115 F118 S215 P329	R114-F217 HydrophobicContact CB-CD2 4.11Å; R114-F217 HydrophobicContact CB-CE2 4.16Å; R114-F217 HydrophobicContact CG-CD2 4.23Å; R114-F217 HydrophobicContact CG-CE2 3.76Å; R114-F217 HydrophobicContact CG-CZ 4.16Å; R114-F217 WeakPolarHBondContact O-CD2 3.35Å; F115-F217 AromaticContact CD1-CE2 3.55Å; F115-F217 HydrophobicContact CD1-CE2 3.55Å; F115-F217 HydrophobicContact CD1-CZ 4.11Å; F115-F217 HydrophobicContact CD2-CE2 4.05Å; F115-F217 HydrophobicContact CD2-CZ 4.41Å; F115-F217 AromaticContact CE1-CE2 3.54Å; F115-F217 HydrophobicContact CE1-CE2 3.54Å; F115-F217 AromaticContact CE1-CZ 3.59Å; F115-F217 HydrophobicContact CE1-CZ 3.59Å; F115-F217 HydrophobicContact CE2-CE2 4.07Å; F115-F217 AromaticContact CE2-CZ 3.97Å; F115-F217 HydrophobicContact CE2-CZ 3.97Å; F115-F217 AromaticContact CG-CE2 3.81Å; F115-F217 HydrophobicContact CG-CE2 3.81Å; F115-F217 HydrophobicContact CG-CZ 4.48Å; F115-F217 AromaticContact CZ-CE2 3.82Å; F115-F217 HydrophobicContact CZ-CE2 3.82Å; F115-F217 AromaticContact CZ-CZ 3.53Å; F115-F217 HydrophobicContact CZ-CZ 3.53Å; F118-F217 HydrophobicContact CB-CD2 4.01Å; F118-F217 HydrophobicContact CD2-CB 3.99Å; F118-F217 HydrophobicContact CD2-CD2 4.48Å; F118-F217 HydrophobicContact CG-CD2 4.38Å; S215-F217 VanDerWaalsContact C-N 3.27Å; S215-F217 PolarHBondContact O-N 2.85Å; F217-P329 HydrophobicContact CB-CB 4.35Å; F217-P329 HydrophobicContact CD1-CB 3.62Å; F217-P329 WeakPolarHBondContact CD1-O 3.47Å; F217-P329 HydrophobicContact CD2-CB 3.9Å; F217-P329 HydrophobicContact CD2-CG 4.43Å; F217-P329 HydrophobicContact CE1-CB 3.75Å; F217-P329 HydrophobicContact CE2-CB 4.01Å; F217-P329 HydrophobicContact CE2-CG 4.44Å; F217-P329 HydrophobicContact CG-CB 3.72Å; F217-P329 HydrophobicContact CZ-CB 3.94Å
218	N	97.2	Very high	97.1	Very high	30 Å²	30	20.7 Å²	20.7	16%	0.16	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-93.5	4.4	175.3	-69.1	-15.6	0	0	0	112.8	F212 R213 S215 F216 T220 V221 K222	F212-N218 HydrophobicContact CD2-CB 3.91Å; F212-N218 HydrophobicContact CE2-CB 3.94Å; R213-N218 PolarHBondContact O-ND2 3.38Å; S215-N218 CarbonylContact O-C 3.58Å; S215-N218 WeakPolarHBondContact O-CA 3.04Å; S215-N218 PolarHBondContact O-N 3.26Å; S215-N218 PolarHBondContact OG-ND2 3.12Å; F216-N218 VanDerWaalsContact C-N 3.31Å; F216-N218 PolarHBondContact O-N 3.07Å; N218-T220 PolarHBondContact O-N 3.03Å; N218-V221 HydrophobicContact CB-CB 4.48Å; N218-V221 WeakPolarHBondContact O-CA 3.32Å; N218-V221 WeakPolarHBondContact O-CB 3.49Å; N218-V221 PolarHBondContact O-N 3.39Å; N218-K222 PolarHBondContact O-N 3.42Å
219	L	97.3	Very high	97.1	Very high	25 Å²	25	21 Å²	21	13%	0.131	10%	0.102	C	C	.	.	H	α-helix	trans	-59.1	-28.9	170.7	-68.4	177	0	0	0	112.1	K148 S215 F216 K222 E223 D331	K148-L219 HydrophobicContact CD-CD2 4.33Å; S215-L219 PolarHBondContact O-N 2.67Å; F216-L219 HydrophobicContact CD2-CD1 3.75Å; F216-L219 HydrophobicContact CE2-CD1 4.04Å; F216-L219 WeakPolarHBondContact O-CB 3.31Å; F216-L219 WeakPolarHBondContact O-CG 3.3Å; F216-L219 PolarHBondContact O-N 3.25Å; L219-K222 HydrophobicContact CD2-CD 4.37Å; L219-K222 WeakPolarHBondContact O-CB 3.09Å; L219-K222 PolarHBondContact O-N 3.31Å; L219-E223 PolarHBondContact O-N 3.27Å; L219-D331 HydrophobicContact CB-CB 3.75Å
220	T	97.5	Very high	97	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-69.3	-34.5	173.8	-58.3	0	0	0	0	112.5	N218 E223 L224 L327 Y328 D331 Y334	N218-T220 PolarHBondContact O-N 3.03Å; T220-E223 PolarHBondContact O-N 2.9Å; T220-L224 PolarHBondContact O-N 3.48Å; T220-L224 VanDerWaalsContact O-N 3.08Å; T220-L327 HydrophobicContact CG2-CB 4.2Å; T220-L327 HydrophobicContact CG2-CD2 3.92Å; T220-Y328 VanDerWaalsContact CB-O 3.25Å; T220-Y328 WeakPolarHBondContact CB-O 3.34Å; T220-Y328 PolarHBondContact OG1-O 3Å; T220-D331 VanDerWaalsContact OG1-CA 3.3Å; T220-D331 WeakPolarHBondContact OG1-CA 3.45Å; T220-D331 PolarHBondContact OG1-N 3.08Å; T220-Y334 HydrophobicContact CG2-CD1 3.5Å; T220-Y334 HydrophobicContact CG2-CD2 3.64Å; T220-Y334 HydrophobicContact CG2-CE1 3.91Å; T220-Y334 HydrophobicContact CG2-CE2 4.04Å; T220-Y334 HydrophobicContact CG2-CG 3.32Å
221	V	98.1	Very high	96.8	Very high	7 Å²	7	23 Å²	23	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-45.8	169.9	171.6	0	0	0	0	109.4	Y127 F212 N218 E223 L224 L225 L327	Y127-V221 HydrophobicContact CD2-CG1 3.58Å; Y127-V221 HydrophobicContact CE2-CG1 3.39Å; Y127-V221 HydrophobicContact CE2-CG2 4.34Å; F212-V221 HydrophobicContact CB-CG1 4.43Å; F212-V221 HydrophobicContact CD1-CG1 4.44Å; F212-V221 HydrophobicContact CD2-CG1 4.16Å; F212-V221 HydrophobicContact CG-CG1 4.08Å; N218-V221 HydrophobicContact CB-CB 4.48Å; N218-V221 WeakPolarHBondContact O-CA 3.32Å; N218-V221 WeakPolarHBondContact O-CB 3.49Å; N218-V221 PolarHBondContact O-N 3.39Å; V221-E223 VanDerWaalsContact C-N 3.27Å; V221-E223 PolarHBondContact O-N 2.9Å; V221-L224 PolarHBondContact O-N 2.91Å; V221-L224 VanDerWaalsContact O-N 3.11Å; V221-L225 HydrophobicContact CG1-CD1 3.63Å; V221-L225 HydrophobicContact CG1-CG 4.12Å; V221-L225 VanDerWaalsContact O-CG 3.31Å; V221-L225 WeakPolarHBondContact O-CG 3.36Å; V221-L225 PolarHBondContact O-N 2.85Å; V221-L327 HydrophobicContact CG2-CD1 3.91Å
222	K	98.4	Very high	96.7	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.017	12%	0.118	C	C	.	.	H	α-helix	trans	-55.7	-41.2	175.1	-169.5	177.6	-71.5	-171.4	0	112.2	K148 S149 L180 F212 D214 N218 L219 F226	K148-K222 HydrophobicContact CB-CD 4.42Å; K148-K222 HydrophobicContact CG-CD 4.08Å; S149-K222 PolarHBondContact O-NZ 3.3Å; L180-K222 HydrophobicContact CB-CD 3.97Å; L180-K222 HydrophobicContact CB-CG 4.1Å; L180-K222 WeakPolarHBondContact O-CE 3.37Å; L180-K222 PolarHBondContact O-NZ 2.92Å; L180-K222 VanDerWaalsContact O-NZ 3.11Å; F212-K222 HydrophobicContact CE2-CB 4.4Å; F212-K222 HydrophobicContact CZ-CB 3.75Å; F212-K222 HydrophobicContact CZ-CG 4.15Å; D214-K222 VanDerWaalsContact OD1-CE 3.31Å; D214-K222 WeakPolarHBondContact OD1-CE 3.25Å; D214-K222 IonicContact OD1-NZ 3.9Å; D214-K222 PolarHBondContact OD1-NZ 2.87Å; D214-K222 WeakPolarHBondContact OD2-CE 3.44Å; D214-K222 IonicContact OD2-NZ 3.9Å; D214-K222 PolarHBondContact OD2-NZ 3.08Å; N218-K222 PolarHBondContact O-N 3.42Å; L219-K222 HydrophobicContact CD2-CD 4.37Å; L219-K222 WeakPolarHBondContact O-CB 3.09Å; L219-K222 PolarHBondContact O-N 3.31Å; K222-F226 VanDerWaalsContact O-CB 3.3Å; K222-F226 WeakPolarHBondContact O-CB 3.27Å; K222-F226 PolarHBondContact O-N 2.87Å
223	E	97.8	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-47.3	174.6	177.8	72.5	144.2	0	0	112	L219 T220 V221 F226 L227 K242 Y308 T335	L219-E223 PolarHBondContact O-N 3.27Å; T220-E223 PolarHBondContact O-N 2.9Å; V221-E223 VanDerWaalsContact C-N 3.27Å; V221-E223 PolarHBondContact O-N 2.9Å; E223-F226 PolarHBondContact O-N 2.87Å; E223-L227 HydrophobicContact CG-CD1 4.11Å; E223-L227 WeakPolarHBondContact O-CG 3.29Å; E223-L227 PolarHBondContact O-N 2.64Å; E223-K242 IonicContact OE1-NZ 3.77Å; E223-K242 PolarHBondContact OE1-NZ 3.32Å; E223-K242 WeakPolarHBondContact OE2-CD 3.19Å; E223-K242 WeakPolarHBondContact OE2-CE 3.3Å; E223-K242 IonicContact OE2-NZ 3.85Å; E223-K242 PolarHBondContact OE2-NZ 3.12Å; E223-Y308 PolarHBondContact OE1-OH 3.09Å; E223-T335 PolarHBondContact OE1-OG1 3.12Å
224	L	97.7	Very high	96.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-47.4	-179.1	-174.6	150.2	0	0	0	111.5	R125 T220 V221 F226 L227 E228 L327	R125-L224 HydrophobicContact CB-CD1 4.22Å; R125-L224 HydrophobicContact CB-CD2 4.24Å; R125-L224 HydrophobicContact CG-CD1 4.06Å; R125-L224 VanDerWaalsContact O-CD2 3.3Å; R125-L224 WeakPolarHBondContact O-CD2 3.3Å; T220-L224 PolarHBondContact O-N 3.48Å; T220-L224 VanDerWaalsContact O-N 3.08Å; V221-L224 PolarHBondContact O-N 2.91Å; V221-L224 VanDerWaalsContact O-N 3.11Å; L224-F226 VanDerWaalsContact C-N 3.3Å; L224-F226 PolarHBondContact O-N 3.16Å; L224-L227 PolarHBondContact O-N 2.8Å; L224-E228 PolarHBondContact O-N 3.23Å; L224-L327 HydrophobicContact CD1-CD2 3.95Å
225	L	98.4	Very high	96.7	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-36.4	179.8	-65.7	173.4	0	0	0	111.9	Y127 W210 F212 V221 E228 W229	Y127-L225 HydrophobicContact CD2-CD1 3.98Å; Y127-L225 HydrophobicContact CD2-CD2 4.37Å; Y127-L225 HydrophobicContact CG-CD1 4.37Å; W210-L225 HydrophobicContact CB-CD1 3.78Å; W210-L225 HydrophobicContact CD2-CB 3.95Å; W210-L225 HydrophobicContact CD2-CD1 4.13Å; W210-L225 HydrophobicContact CG-CB 4.22Å; W210-L225 HydrophobicContact CG-CD1 3.7Å; W210-L225 HydrophobicContact CG-CG 4.44Å; W210-L225 HydrophobicContact CZ2-CB 4.03Å; W210-L225 WeakPolarHBondContact CZ2-O 3.42Å; F212-L225 HydrophobicContact CD1-CD1 3.75Å; F212-L225 HydrophobicContact CE1-CD1 4.03Å; V221-L225 HydrophobicContact CG1-CD1 3.63Å; V221-L225 HydrophobicContact CG1-CG 4.12Å; V221-L225 VanDerWaalsContact O-CG 3.31Å; V221-L225 WeakPolarHBondContact O-CG 3.36Å; V221-L225 PolarHBondContact O-N 2.85Å; L225-E228 PolarHBondContact O-N 3.12Å; L225-W229 WeakPolarHBondContact O-CB 3.32Å; L225-W229 PolarHBondContact O-N 3.18Å
226	F	98.5	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-43	172.8	171	-122.1	0	0	0	112.6	L144 A146 L180 W210 K222 E223 L224 E228 W229 I230 I240 Y310	L144-F226 HydrophobicContact CD2-CE2 4.17Å; L144-F226 HydrophobicContact CD2-CZ 4.16Å; A146-F226 HydrophobicContact CB-CD1 4.46Å; A146-F226 HydrophobicContact CB-CD2 4.37Å; A146-F226 HydrophobicContact CB-CE1 3.66Å; A146-F226 HydrophobicContact CB-CE2 3.6Å; A146-F226 HydrophobicContact CB-CZ 3.2Å; L180-F226 HydrophobicContact CD1-CB 3.86Å; L180-F226 HydrophobicContact CD1-CD1 4.11Å; L180-F226 HydrophobicContact CD1-CD2 3.96Å; L180-F226 HydrophobicContact CD1-CG 3.69Å; L180-F226 HydrophobicContact CD2-CB 4.37Å; L180-F226 HydrophobicContact CD2-CD2 3.68Å; L180-F226 HydrophobicContact CD2-CE2 4.34Å; L180-F226 HydrophobicContact CD2-CG 4.2Å; L180-F226 HydrophobicContact CG-CD2 4.48Å; W210-F226 HydrophobicContact CH2-CB 4.42Å; K222-F226 VanDerWaalsContact O-CB 3.3Å; K222-F226 WeakPolarHBondContact O-CB 3.27Å; K222-F226 PolarHBondContact O-N 2.87Å; E223-F226 PolarHBondContact O-N 2.87Å; L224-F226 VanDerWaalsContact C-N 3.3Å; L224-F226 PolarHBondContact O-N 3.16Å; F226-E228 VanDerWaalsContact C-N 3.26Å; F226-E228 PolarHBondContact O-N 3.15Å; F226-W229 HydrophobicContact CD2-CE3 4.31Å; F226-W229 HydrophobicContact CE2-CE3 4.24Å; F226-W229 PolarHBondContact O-N 3.38Å; F226-I230 HydrophobicContact CE2-CB 4.34Å; F226-I230 HydrophobicContact CZ-CD1 4.39Å; F226-I230 WeakPolarHBondContact O-CG2 3.46Å; F226-I230 PolarHBondContact O-N 3.2Å; F226-I240 HydrophobicContact CE1-CG2 4.08Å; F226-I240 HydrophobicContact CZ-CG2 3.89Å; F226-Y310 VanDerWaalsContact CE1-OH 3.28Å; F226-Y310 WeakPolarHBondContact CE1-OH 3.41Å
227	L	98.1	Very high	96.9	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-33	176	-73.6	172.4	0	0	0	112.2	E223 L224 I230 Q231 A315 L318 H319	E223-L227 HydrophobicContact CG-CD1 4.11Å; E223-L227 WeakPolarHBondContact O-CG 3.29Å; E223-L227 PolarHBondContact O-N 2.64Å; L224-L227 PolarHBondContact O-N 2.8Å; L227-I230 VanDerWaalsContact O-CG2 3.27Å; L227-I230 WeakPolarHBondContact O-CG2 3.01Å; L227-Q231 WeakPolarHBondContact O-CG 3.21Å; L227-A315 HydrophobicContact CD2-CB 4.42Å; L227-L318 HydrophobicContact CD1-CB 4.07Å; L227-L318 HydrophobicContact CD2-CB 4.03Å; L227-H319 HydrophobicContact CB-CB 4.07Å
228	E	97.3	Very high	97	Very high	77 Å²	77	32.4 Å²	32.4	36%	0.36	17%	0.17	S	C	.	.	H	α-helix	trans	-71.1	-46.4	171.8	-177.6	176	-177.3	0	0	111.6	L224 L225 F226 I230 Q231 T232	L224-E228 PolarHBondContact O-N 3.23Å; L225-E228 PolarHBondContact O-N 3.12Å; F226-E228 VanDerWaalsContact C-N 3.26Å; F226-E228 PolarHBondContact O-N 3.15Å; E228-I230 PolarHBondContact O-N 2.85Å; E228-Q231 PolarHBondContact O-N 3.28Å; E228-T232 PolarHBondContact O-N 3.47Å; E228-T232 PolarHBondContact O-OG1 3.4Å
229	W	98	Very high	97.1	Very high	7 Å²	7	31 Å²	31	3%	0.027	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-40.4	-179.4	-179.8	95.4	0	0	0	112.9	D132 I136 L144 V178 V208 W210 L225 F226 Q231 T232 R233 C234	D132-W229 PolarHBondContact OD1-NE1 3.42Å; I136-W229 HydrophobicContact CG2-CH2 3.79Å; I136-W229 HydrophobicContact CG2-CZ2 4.14Å; L144-W229 HydrophobicContact CD2-CZ3 4.41Å; V178-W229 HydrophobicContact CG1-CH2 4.02Å; V208-W229 HydrophobicContact CG1-CG 4.3Å; V208-W229 HydrophobicContact CG2-CD2 4.38Å; V208-W229 HydrophobicContact CG2-CH2 4.45Å; V208-W229 HydrophobicContact CG2-CZ2 3.76Å; W210-W229 HydrophobicContact CH2-CB 4.42Å; W210-W229 HydrophobicContact CZ2-CB 3.71Å; W210-W229 HydrophobicContact CZ2-CG 4.04Å; L225-W229 WeakPolarHBondContact O-CB 3.32Å; L225-W229 PolarHBondContact O-N 3.18Å; F226-W229 HydrophobicContact CD2-CE3 4.31Å; F226-W229 HydrophobicContact CE2-CE3 4.24Å; F226-W229 PolarHBondContact O-N 3.38Å; W229-Q231 VanDerWaalsContact C-N 3.28Å; W229-Q231 PolarHBondContact O-N 2.79Å; W229-T232 PolarHBondContact O-N 3.11Å; W229-T232 VanDerWaalsContact O-N 3.16Å; W229-T232 PolarHBondContact O-OG1 3.33Å; W229-T232 VanDerWaalsContact O-OG1 3.06Å; W229-R233 HydrophobicContact CD2-CB 3.94Å; W229-R233 HydrophobicContact CD2-CG 3.99Å; W229-R233 VanDerWaalsContact CE2-CG 3.5Å; W229-R233 HydrophobicContact CE3-CB 4.29Å; W229-R233 HydrophobicContact CG-CB 4.5Å; W229-R233 HydrophobicContact CG-CG 4.12Å; W229-R233 HydrophobicContact CH2-CB 3.99Å; W229-R233 HydrophobicContact CZ2-CB 3.63Å; W229-R233 HydrophobicContact CZ2-CG 3.91Å; W229-R233 HydrophobicContact CZ3-CB 4.31Å; W229-R233 WeakPolarHBondContact O-CB 3.47Å; W229-R233 PolarHBondContact O-N 3.49Å; W229-C234 HydrophobicContact CH2-CB 4.5Å; W229-C234 HydrophobicContact CZ3-CB 4.12Å
230	I	96.6	Very high	97.1	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-33.6	178.2	-166.7	178.7	0	0	0	112	L144 F226 L227 E228 T232 C234 P235 A237 I240 A315	L144-I230 HydrophobicContact CD2-CD1 3.87Å; L144-I230 HydrophobicContact CD2-CG1 4.16Å; F226-I230 HydrophobicContact CE2-CB 4.34Å; F226-I230 HydrophobicContact CZ-CD1 4.39Å; F226-I230 WeakPolarHBondContact O-CG2 3.46Å; F226-I230 PolarHBondContact O-N 3.2Å; L227-I230 VanDerWaalsContact O-CG2 3.27Å; L227-I230 WeakPolarHBondContact O-CG2 3.01Å; E228-I230 PolarHBondContact O-N 2.85Å; I230-T232 VanDerWaalsContact C-N 3.29Å; I230-T232 PolarHBondContact O-N 2.91Å; I230-C234 HydrophobicContact CG1-CB 4.02Å; I230-C234 CarbonylContact O-C 3.57Å; I230-C234 WeakPolarHBondContact O-CA 3.49Å; I230-C234 PolarHBondContact O-N 3.45Å; I230-P235 WeakPolarHBondContact O-CA 3.3Å; I230-A237 HydrophobicContact CD1-CB 4.43Å; I230-I240 HydrophobicContact CD1-CD1 3.14Å; I230-I240 HydrophobicContact CD1-CG1 3.48Å; I230-I240 VanDerWaalsContact CD1-CG1 3.48Å; I230-A315 HydrophobicContact CD1-CB 4.42Å
231	Q	95	Very high	97.2	Very high	62 Å²	62	29.8 Å²	29.8	29%	0.29	16%	0.156	S	C	.	.	H	α-helix	trans	-67.8	-31.4	176.2	-65.3	-55.4	-68.4	0	0	112.4	L227 E228 W229 A316 H319	L227-Q231 WeakPolarHBondContact O-CG 3.21Å; E228-Q231 PolarHBondContact O-N 3.28Å; W229-Q231 VanDerWaalsContact C-N 3.28Å; W229-Q231 PolarHBondContact O-N 2.79Å; Q231-A316 VanDerWaalsContact NE2-CA 3.3Å; Q231-A316 VanDerWaalsContact OE1-CB 3.28Å; Q231-H319 HydrophobicContact CG-CB 4.05Å
232	T	93.7	Very high	97.2	Very high	85 Å²	85	29.5 Å²	29.5	52%	0.521	15%	0.154	S	C	.	.	H	α-helix	trans	-94	-31.5	-176.1	54.9	0	0	0	0	113.5	E228 W229 I230	E228-T232 PolarHBondContact O-N 3.47Å; E228-T232 PolarHBondContact O-OG1 3.4Å; W229-T232 PolarHBondContact O-N 3.11Å; W229-T232 VanDerWaalsContact O-N 3.16Å; W229-T232 PolarHBondContact O-OG1 3.33Å; W229-T232 VanDerWaalsContact O-OG1 3.06Å; I230-T232 VanDerWaalsContact C-N 3.29Å; I230-T232 PolarHBondContact O-N 2.91Å
233	R	95.4	Very high	97.2	Very high	99 Å²	99	29.3 Å²	29.3	37%	0.374	15%	0.153	S	C	.	.	H	α-helix	trans	-108.9	-30	-175.5	-60.8	-49.8	-172	-140.5	-1.9	114.5	D132 C137 W229	D132-R233 IonicContact OD1-NE 3.33Å; D132-R233 IonicContact OD2-CZ 3.4Å; D132-R233 IonicContact OD2-NE 2.89Å; D132-R233 PolarHBondContact OD2-NE 3.26Å; D132-R233 IonicContact OD2-NH2 2.65Å; D132-R233 PolarHBondContact OD2-NH2 3.36Å; C137-R233 WeakPolarHBondContact CB-O 3.46Å; W229-R233 HydrophobicContact CD2-CB 3.94Å; W229-R233 HydrophobicContact CD2-CG 3.99Å; W229-R233 VanDerWaalsContact CE2-CG 3.5Å; W229-R233 HydrophobicContact CE3-CB 4.29Å; W229-R233 HydrophobicContact CG-CB 4.5Å; W229-R233 HydrophobicContact CG-CG 4.12Å; W229-R233 HydrophobicContact CH2-CB 3.99Å; W229-R233 HydrophobicContact CZ2-CB 3.63Å; W229-R233 HydrophobicContact CZ2-CG 3.91Å; W229-R233 HydrophobicContact CZ3-CB 4.31Å; W229-R233 WeakPolarHBondContact O-CB 3.47Å; W229-R233 PolarHBondContact O-N 3.49Å
234	C	96.3	Very high	97.2	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.162	C	C	.	.			trans	-140.6	46.1	-172.7	-157.4	0	0	0	0	113.5	C137 L144 W229 I230 G236 A237	C137-C234 HydrophobicContact CB-CB 3.54Å; C137-C234 WeakPolarHBondContact CB-SG 3.36Å; C137-C234 WeakPolarHBondContact SG-CB 3.33Å; C137-C234 CovalentContact SG-SG 2.03Å; C137-C234 PolarHBondContact SG-SG 3.38Å; L144-C234 HydrophobicContact CD2-CB 4.49Å; W229-C234 HydrophobicContact CH2-CB 4.5Å; W229-C234 HydrophobicContact CZ3-CB 4.12Å; I230-C234 HydrophobicContact CG1-CB 4.02Å; I230-C234 CarbonylContact O-C 3.57Å; I230-C234 WeakPolarHBondContact O-CA 3.49Å; I230-C234 PolarHBondContact O-N 3.45Å; C234-G236 PolarHBondContact O-N 3.49Å; C234-G236 VanDerWaalsContact O-N 3.17Å; C234-A237 WeakPolarHBondContact O-CB 3.41Å; C234-A237 PolarHBondContact O-N 3.2Å; C234-A237 VanDerWaalsContact O-N 3.17Å
235	P	95	Very high	97.3	Very high	89 Å²	89	31.3 Å²	31.3	58%	0.578	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22	-173.3	26.8	-35.5	0	0	0	113.2	I230	I230-P235 WeakPolarHBondContact O-CA 3.3Å
236	G	95.3	Very high	97.3	Very high	44 Å²	44	32.9 Å²	32.9	45%	0.454	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-1	178.8	0	0	0	0	0	115.1	C234 R238	C234-G236 PolarHBondContact O-N 3.49Å; C234-G236 VanDerWaalsContact O-N 3.17Å; G236-R238 PolarHBondContact O-N 3Å
237	A	97.8	Very high	97.3	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.033	17%	0.172	C	C	.	.			trans	-60	121.2	177.6	0	0	0	0	0	110.7	P141 L144 I230 C234 G312	P141-A237 HydrophobicContact CG-CB 3.98Å; P141-A237 WeakPolarHBondContact O-CA 3.2Å; L144-A237 HydrophobicContact CB-CB 4.2Å; I230-A237 HydrophobicContact CD1-CB 4.43Å; C234-A237 WeakPolarHBondContact O-CB 3.41Å; C234-A237 PolarHBondContact O-N 3.2Å; C234-A237 VanDerWaalsContact O-N 3.17Å; A237-G312 WeakPolarHBondContact O-CA 3.4Å
238	R	97.8	Very high	97.3	Very high	136 Å²	136	32.9 Å²	32.9	51%	0.513	17%	0.172	S	C	.	.	S	Bend	trans	-72.3	-43	-175.1	-172.3	176.9	176.5	161.6	-1.6	112.5	P141 G236 G312	P141-R238 PolarHBondContact O-N 3.25Å; G236-R238 PolarHBondContact O-N 3Å; R238-G312 PolarHBondContact O-N 2.99Å
239	Y	98.7	Very high	97.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.1	176.7	-59.7	-72.9	0	0	0	110.7	F142 L143 L144 L258 A266 L269 Y310	F142-Y239 HydrophobicContact CD1-CD2 4.42Å; F142-Y239 AromaticContact CE1-CD2 3.91Å; F142-Y239 HydrophobicContact CE1-CD2 3.91Å; F142-Y239 HydrophobicContact CE1-CE2 4.17Å; F142-Y239 HydrophobicContact CE2-CD2 4.23Å; F142-Y239 AromaticContact CE2-CE2 3.96Å; F142-Y239 HydrophobicContact CE2-CE2 3.96Å; F142-Y239 AromaticContact CZ-CD2 3.81Å; F142-Y239 HydrophobicContact CZ-CD2 3.81Å; F142-Y239 AromaticContact CZ-CE2 3.61Å; F142-Y239 HydrophobicContact CZ-CE2 3.61Å; F142-Y239 PolarHBondContact O-N 2.58Å; L143-Y239 WeakPolarHBondContact CA-O 3.36Å; L144-Y239 PolarHBondContact N-O 3.3Å; Y239-L258 HydrophobicContact CD1-CD2 3.56Å; Y239-L258 HydrophobicContact CD2-CB 4.06Å; Y239-L258 HydrophobicContact CD2-CD1 3.77Å; Y239-L258 HydrophobicContact CD2-CD2 3.78Å; Y239-L258 HydrophobicContact CD2-CG 4.08Å; Y239-L258 HydrophobicContact CE1-CD2 3.79Å; Y239-L258 HydrophobicContact CE2-CB 3.94Å; Y239-L258 HydrophobicContact CE2-CD1 4.49Å; Y239-L258 HydrophobicContact CE2-CD2 3.96Å; Y239-L258 HydrophobicContact CE2-CG 4.35Å; Y239-L258 HydrophobicContact CG-CD1 3.86Å; Y239-L258 HydrophobicContact CG-CD2 3.55Å; Y239-L258 HydrophobicContact CG-CG 4.21Å; Y239-A266 WeakPolarHBondContact OH-CB 3.44Å; Y239-L269 HydrophobicContact CD1-CD2 3.77Å; Y239-L269 HydrophobicContact CE1-CD2 3.81Å; Y239-Y310 CarbonylContact C-O 3.41Å; Y239-Y310 WeakPolarHBondContact CA-O 3.39Å
240	I	98.8	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126	179.9	-58	137	0	0	0	107.9	L144 A146 F226 I230 L309 Y310 A315	L144-I240 HydrophobicContact CB-CG1 4.3Å; L144-I240 HydrophobicContact CD2-CG1 4.48Å; L144-I240 CarbonylContact O-C 3.55Å; L144-I240 WeakPolarHBondContact O-CA 3.33Å; A146-I240 HydrophobicContact CB-CG2 4.4Å; F226-I240 HydrophobicContact CE1-CG2 4.08Å; F226-I240 HydrophobicContact CZ-CG2 3.89Å; I230-I240 HydrophobicContact CD1-CD1 3.14Å; I230-I240 HydrophobicContact CD1-CG1 3.48Å; I230-I240 VanDerWaalsContact CD1-CG1 3.48Å; I240-L309 WeakPolarHBondContact O-CA 3.37Å; I240-L309 WeakPolarHBondContact O-CD1 3.36Å; I240-Y310 HydrophobicContact CB-CD1 4.45Å; I240-Y310 HydrophobicContact CB-CD2 4.3Å; I240-Y310 HydrophobicContact CB-CE1 4.05Å; I240-Y310 HydrophobicContact CB-CE2 3.91Å; I240-Y310 HydrophobicContact CD1-CD2 3.99Å; I240-Y310 HydrophobicContact CD1-CE2 3.51Å; I240-Y310 HydrophobicContact CG1-CE2 4.36Å; I240-Y310 HydrophobicContact CG2-CE1 3.83Å; I240-Y310 HydrophobicContact CG2-CE2 4.15Å; I240-Y310 WeakPolarHBondContact CG2-OH 3.38Å; I240-Y310 PolarHBondContact N-O 3.37Å; I240-Y310 WeakPolarHBondContact O-CD1 3.23Å; I240-Y310 PolarHBondContact O-N 3.04Å; I240-A315 HydrophobicContact CD1-CB 3.42Å; I240-A315 VanDerWaalsContact CD1-CB 3.42Å
241	F	98.8	Very high	97.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.4	161.2	169.2	-93.8	0	0	0	107.6	L143 L144 L145 A146 I147 W164 V249 I254 Y308 L309 F352 L373	L143-F241 HydrophobicContact CD1-CB 4.14Å; L144-F241 PolarHBondContact O-N 2.94Å; L145-F241 HydrophobicContact CD2-CB 3.72Å; L145-F241 HydrophobicContact CD2-CD1 3.9Å; L145-F241 HydrophobicContact CD2-CG 4.13Å; A146-F241 PolarHBondContact N-O 3.09Å; I147-F241 HydrophobicContact CD1-CD1 4.04Å; I147-F241 HydrophobicContact CD1-CE1 3.81Å; W164-F241 HydrophobicContact CZ3-CE1 4.44Å; F241-V249 HydrophobicContact CE1-CG2 3.76Å; F241-V249 HydrophobicContact CE2-CG2 4.34Å; F241-V249 HydrophobicContact CZ-CG1 4.49Å; F241-V249 HydrophobicContact CZ-CG2 3.59Å; F241-I254 HydrophobicContact CD2-CD1 3.99Å; F241-I254 HydrophobicContact CE2-CD1 4.47Å; F241-I254 HydrophobicContact CG-CD1 4.48Å; F241-Y308 WeakPolarHBondContact CA-O 3.12Å; F241-L309 HydrophobicContact CB-CD1 3.93Å; F241-F352 HydrophobicContact CE2-CE1 4.27Å; F241-L373 HydrophobicContact CE2-CD1 3.74Å; F241-L373 HydrophobicContact CZ-CD1 3.56Å
242	K	98.4	Very high	97.4	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.2	169	-178	-176.3	160.9	-150.6	0	108.9	A146 E223 G307 Y308 Y310 D331	A146-K242 VanDerWaalsContact O-CA 3.3Å; A146-K242 WeakPolarHBondContact O-CA 3.31Å; E223-K242 IonicContact OE1-NZ 3.77Å; E223-K242 PolarHBondContact OE1-NZ 3.32Å; E223-K242 WeakPolarHBondContact OE2-CD 3.19Å; E223-K242 WeakPolarHBondContact OE2-CE 3.3Å; E223-K242 IonicContact OE2-NZ 3.85Å; E223-K242 PolarHBondContact OE2-NZ 3.12Å; K242-G307 CarbonylContact O-C 3.59Å; K242-G307 WeakPolarHBondContact O-CA 3.44Å; K242-Y308 HydrophobicContact CB-CD2 4.35Å; K242-Y308 HydrophobicContact CB-CE2 3.96Å; K242-Y308 HydrophobicContact CD-CE2 4.05Å; K242-Y308 WeakPolarHBondContact CD-OH 3.33Å; K242-Y308 HydrophobicContact CG-CE2 4.48Å; K242-Y308 PolarHBondContact N-O 3.36Å; K242-Y308 PolarHBondContact NZ-OH 3.22Å; K242-Y308 PolarHBondContact O-N 3.08Å; K242-Y310 HydrophobicContact CB-CE1 3.99Å; K242-D331 IonicContact NZ-OD2 2.9Å
243	G	97.9	Very high	97.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	175.7	-179.9	0	0	0	0	0	114.6	A146 I147 K148 G306	A146-G243 PolarHBondContact O-N 2.9Å; A146-G243 VanDerWaalsContact O-N 3.13Å; I147-G243 WeakPolarHBondContact CA-O 3.18Å; K148-G243 PolarHBondContact N-O 2.94Å; G243-G306 CarbonylContact C-O 3.45Å; G243-G306 WeakPolarHBondContact CA-O 3.34Å
244	D	98.4	Very high	97.7	Very high	36 Å²	36	28.1 Å²	28.1	19%	0.193	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	160.4	174.7	-63	-39	0	0	0	111.2	K148 D246 V247 G306	K148-D244 WeakPolarHBondContact CE-OD1 3.5Å; K148-D244 IonicContact NZ-OD1 3.66Å; K148-D244 PolarHBondContact NZ-OD1 2.91Å; D244-D246 VanDerWaalsContact C-N 3.29Å; D244-D246 WeakPolarHBondContact CB-OD1 3.16Å; D244-D246 PolarHBondContact O-N 3.48Å; D244-V247 HydrophobicContact CB-CG1 4.25Å; D244-V247 WeakPolarHBondContact O-CG2 3.49Å; D244-G306 PolarHBondContact N-O 3.24Å; D244-G306 WeakPolarHBondContact OD2-CA 3.3Å
245	D	98.5	Very high	97.7	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	7.2	-178.8	69.2	8	0	0	0	115.1	I147 K148 S149 H153 R156 I160 M382	I147-D245 HydrophobicContact CG2-CB 3.9Å; K148-D245 WeakPolarHBondContact O-CB 3.45Å; K148-D245 PolarHBondContact O-N 3.12Å; S149-D245 VanDerWaalsContact CA-OD2 3.31Å; S149-D245 WeakPolarHBondContact CA-OD2 3.48Å; S149-D245 VanDerWaalsContact CB-OD2 3.3Å; S149-D245 WeakPolarHBondContact CB-OD2 3.24Å; S149-D245 PolarHBondContact OG-OD2 3.35Å; H153-D245 VanDerWaalsContact CB-OD2 3.31Å; H153-D245 WeakPolarHBondContact CB-OD2 3.46Å; H153-D245 IonicContact CE1-OD1 3.49Å; H153-D245 IonicContact CE1-OD2 2.78Å; H153-D245 IonicContact CG-OD2 3.44Å; H153-D245 IonicContact ND1-OD1 3.78Å; H153-D245 PolarHBondContact ND1-OD1 2.79Å; H153-D245 IonicContact ND1-OD2 3.52Å; H153-D245 PolarHBondContact ND1-OD2 2.93Å; R156-D245 HydrophobicContact CB-CB 4.22Å; R156-D245 VanDerWaalsContact CD-CG 3.49Å; R156-D245 WeakPolarHBondContact CD-O 3.41Å; R156-D245 WeakPolarHBondContact CD-OD1 3.23Å; R156-D245 IonicContact CZ-OD1 2.86Å; R156-D245 IonicContact NE-OD1 3.57Å; R156-D245 IonicContact NH1-OD1 3.87Å; R156-D245 PolarHBondContact NH1-OD1 2.85Å; I160-D245 HydrophobicContact CD1-CB 3.96Å; D245-M382 WeakPolarHBondContact O-CE 3.41Å
246	D	98.3	Very high	97.8	Very high	35 Å²	35	26.3 Å²	26.3	19%	0.187	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	28.6	173.9	50	19.3	0	0	0	113.1	R156 D244 H375 P376 R377	R156-D246 IonicContact CZ-OD2 2.8Å; R156-D246 IonicContact NH1-OD2 3.61Å; R156-D246 PolarHBondContact NH1-OD2 3.23Å; R156-D246 IonicContact NH2-OD2 2.84Å; D244-D246 VanDerWaalsContact C-N 3.29Å; D244-D246 WeakPolarHBondContact CB-OD1 3.16Å; D244-D246 PolarHBondContact O-N 3.48Å; D246-H375 IonicContact OD1-CD2 3.31Å; D246-H375 IonicContact OD1-NE2 2.74Å; D246-P376 CarbonylContact O-C 3.59Å; D246-P376 WeakPolarHBondContact O-CA 3.39Å; D246-R377 PolarHBondContact O-N 3.18Å
247	V	98.4	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.125	C	C	.	.			trans	-110.3	155.5	171.7	-50.1	0	0	0	0	111.1	W164 D244 V249 L373 V374 H375 M382	W164-V247 HydrophobicContact CH2-CG2 4.42Å; W164-V247 HydrophobicContact CZ2-CG2 4.18Å; W164-V247 VanDerWaalsContact CZ2-O 3.31Å; W164-V247 WeakPolarHBondContact CZ2-O 3.42Å; W164-V247 PolarHBondContact NE1-O 3.31Å; W164-V247 VanDerWaalsContact NE1-O 3.16Å; D244-V247 HydrophobicContact CB-CG1 4.25Å; D244-V247 WeakPolarHBondContact O-CG2 3.49Å; V247-V249 HydrophobicContact CG2-CG2 3.75Å; V247-L373 HydrophobicContact CB-CD1 4.01Å; V247-L373 HydrophobicContact CB-CD2 4.43Å; V247-L373 HydrophobicContact CB-CG 4.08Å; V247-L373 HydrophobicContact CG1-CD1 4.25Å; V247-L373 HydrophobicContact CG1-CD2 4.4Å; V247-L373 HydrophobicContact CG1-CG 4.49Å; V247-L373 HydrophobicContact CG2-CD1 3.76Å; V247-L373 HydrophobicContact CG2-CG 4.26Å; V247-V374 WeakPolarHBondContact CA-O 3.25Å; V247-H375 HydrophobicContact CG1-CB 3.85Å; V247-M382 WeakPolarHBondContact O-CE 3.41Å
248	F	98.4	Very high	97.9	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.3	161.3	173.5	-90.9	0	0	0	109.5	W164 N250 Y368 L373 V374 R377 M382 I385 W386 L389	W164-F248 HydrophobicContact CB-CE2 4.3Å; W164-F248 AromaticContact CD1-CD2 3.64Å; W164-F248 HydrophobicContact CG-CD2 4.4Å; F248-N250 HydrophobicContact CE1-CB 4.24Å; F248-Y368 HydrophobicContact CD1-CD1 4.49Å; F248-L373 CarbonylContact O-C 3.58Å; F248-L373 VanDerWaalsContact O-CA 3.31Å; F248-L373 WeakPolarHBondContact O-CA 3.48Å; F248-V374 HydrophobicContact CB-CG1 3.84Å; F248-V374 HydrophobicContact CD1-CG1 4.19Å; F248-V374 HydrophobicContact CG-CG1 4.48Å; F248-V374 PolarHBondContact N-O 3.45Å; F248-V374 PolarHBondContact O-N 2.99Å; F248-R377 HydrophobicContact CB-CB 4.21Å; F248-R377 HydrophobicContact CB-CG 3.76Å; F248-M382 HydrophobicContact CB-CG 4.49Å; F248-M382 HydrophobicContact CD2-CB 4.41Å; F248-I385 HydrophobicContact CB-CD1 4.43Å; F248-I385 HydrophobicContact CD1-CG2 3.84Å; F248-I385 HydrophobicContact CD2-CB 4Å; F248-I385 HydrophobicContact CD2-CG2 4.02Å; F248-I385 HydrophobicContact CE1-CB 4.5Å; F248-I385 HydrophobicContact CE1-CG2 3.49Å; F248-I385 VanDerWaalsContact CE1-CG2 3.49Å; F248-I385 HydrophobicContact CE2-CB 3.87Å; F248-I385 HydrophobicContact CE2-CG2 3.68Å; F248-I385 HydrophobicContact CG-CB 4.38Å; F248-I385 HydrophobicContact CG-CD1 4.28Å; F248-I385 HydrophobicContact CG-CG2 4.1Å; F248-I385 HydrophobicContact CZ-CB 4.14Å; F248-I385 HydrophobicContact CZ-CG2 3.42Å; F248-I385 VanDerWaalsContact CZ-CG2 3.42Å; F248-W386 HydrophobicContact CE2-CB 4.13Å; F248-W386 HydrophobicContact CE2-CE3 4.21Å; F248-W386 HydrophobicContact CZ-CE3 4.15Å; F248-L389 HydrophobicContact CE1-CD1 3.9Å; F248-L389 HydrophobicContact CZ-CD1 3.75Å
249	V	98.4	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.9	178.2	-172.7	0	0	0	0	109.7	W164 F241 V247 T251 I254 M372 L373	W164-V249 HydrophobicContact CB-CB 4.34Å; W164-V249 WeakPolarHBondContact CB-O 3.36Å; W164-V249 HydrophobicContact CD2-CB 3.74Å; W164-V249 HydrophobicContact CD2-CG2 3.88Å; W164-V249 HydrophobicContact CE3-CB 3.56Å; W164-V249 HydrophobicContact CE3-CG1 4.49Å; W164-V249 HydrophobicContact CE3-CG2 3.61Å; W164-V249 HydrophobicContact CG-CB 4.12Å; W164-V249 HydrophobicContact CH2-CG2 3.85Å; W164-V249 HydrophobicContact CZ2-CG2 4.08Å; W164-V249 HydrophobicContact CZ3-CB 4.08Å; W164-V249 HydrophobicContact CZ3-CG2 3.61Å; F241-V249 HydrophobicContact CE1-CG2 3.76Å; F241-V249 HydrophobicContact CE2-CG2 4.34Å; F241-V249 HydrophobicContact CZ-CG1 4.49Å; F241-V249 HydrophobicContact CZ-CG2 3.59Å; V247-V249 HydrophobicContact CG2-CG2 3.75Å; V249-T251 PolarHBondContact O-N 3.48Å; V249-I254 HydrophobicContact CG1-CD1 3.35Å; V249-I254 HydrophobicContact CG1-CG1 4.37Å; V249-M372 CarbonylContact C-O 3.57Å; V249-M372 WeakPolarHBondContact CA-O 3.43Å; V249-M372 WeakPolarHBondContact CG1-O 3.24Å; V249-L373 HydrophobicContact CG2-CD1 4.32Å
250	N	97.7	Very high	97.5	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.053	17%	0.165	C	C	.	.			trans	-91	85.7	169.2	-173.3	-20.1	0	0	0	109.1	F248 Y252 R253 I254 Y368 K369 L371 M372	F248-N250 HydrophobicContact CE1-CB 4.24Å; N250-Y252 VanDerWaalsContact C-N 3.28Å; N250-Y252 PolarHBondContact O-N 3.38Å; N250-R253 HydrophobicContact CB-CB 3.9Å; N250-R253 VanDerWaalsContact CG-CB 3.48Å; N250-R253 WeakPolarHBondContact O-CB 3.09Å; N250-R253 PolarHBondContact O-N 2.57Å; N250-R253 PolarHBondContact OD1-N 3.31Å; N250-R253 VanDerWaalsContact OD1-N 3.09Å; N250-I254 PolarHBondContact O-N 2.92Å; N250-Y368 PolarHBondContact ND2-O 3.48Å; N250-K369 PolarHBondContact ND2-O 3.25Å; N250-L371 WeakPolarHBondContact CB-O 3.39Å; N250-M372 PolarHBondContact N-O 3.09Å
251	T	98	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-36.1	-175.2	-53.5	0	0	0	0	112.3	L143 W164 V249 R253 I254 L255	L143-T251 HydrophobicContact CD2-CG2 4.24Å; W164-T251 PolarHBondContact O-OG1 3.4Å; V249-T251 PolarHBondContact O-N 3.48Å; T251-R253 VanDerWaalsContact C-N 3.34Å; T251-R253 PolarHBondContact O-N 3.3Å; T251-I254 PolarHBondContact O-N 2.99Å; T251-L255 HydrophobicContact CG2-CD1 4.29Å; T251-L255 HydrophobicContact CG2-CG 4.41Å; T251-L255 WeakPolarHBondContact O-CB 3.48Å; T251-L255 VanDerWaalsContact O-CG 3.27Å; T251-L255 WeakPolarHBondContact O-CG 3.32Å; T251-L255 PolarHBondContact O-N 3.41Å
252	Y	95.9	Very high	96.9	Very high	103 Å²	103	35.8 Å²	35.8	40%	0.404	20%	0.2	S	C	.	.	H	α-helix	trans	-60.9	-41.2	173	-67	-72	0	0	0	112.5	I170 N250 L255 G256 W386 N390	I170-Y252 HydrophobicContact CG2-CD1 3.87Å; I170-Y252 HydrophobicContact CG2-CE1 3.41Å; I170-Y252 VanDerWaalsContact CG2-CE1 3.41Å; N250-Y252 VanDerWaalsContact C-N 3.28Å; N250-Y252 PolarHBondContact O-N 3.38Å; Y252-L255 PolarHBondContact O-N 2.88Å; Y252-G256 PolarHBondContact O-N 3.06Å; Y252-W386 AromaticContact CD2-CH2 3.63Å; Y252-W386 HydrophobicContact CD2-CH2 3.63Å; Y252-W386 HydrophobicContact CD2-CZ2 4.46Å; Y252-W386 AromaticContact CD2-CZ3 3.99Å; Y252-W386 HydrophobicContact CD2-CZ3 3.99Å; Y252-W386 AromaticContact CE2-CH2 3.27Å; Y252-W386 HydrophobicContact CE2-CH2 3.27Å; Y252-W386 AromaticContact CE2-CZ2 3.67Å; Y252-W386 HydrophobicContact CE2-CZ2 3.67Å; Y252-W386 AromaticContact CE2-CZ3 4Å; Y252-W386 HydrophobicContact CE2-CZ3 4Å; Y252-N390 VanDerWaalsContact CE2-OD1 3.29Å; Y252-N390 WeakPolarHBondContact CE2-OD1 3.48Å
253	R	96.1	Very high	96.6	Very high	119 Å²	119	37.8 Å²	37.8	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-67	-39.9	177.4	-175.3	64	-178.4	-160.9	4.3	111.9	N250 T251 F257 M372	N250-R253 HydrophobicContact CB-CB 3.9Å; N250-R253 VanDerWaalsContact CG-CB 3.48Å; N250-R253 WeakPolarHBondContact O-CB 3.09Å; N250-R253 PolarHBondContact O-N 2.57Å; N250-R253 PolarHBondContact OD1-N 3.31Å; N250-R253 VanDerWaalsContact OD1-N 3.09Å; T251-R253 VanDerWaalsContact C-N 3.34Å; T251-R253 PolarHBondContact O-N 3.3Å; R253-F257 WeakPolarHBondContact O-CB 3.4Å; R253-F257 PolarHBondContact O-N 3.28Å; R253-M372 HydrophobicContact CG-CG 4.05Å
254	I	98	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-50.6	174.5	-72	-176.1	0	0	0	110.4	L143 F241 V249 N250 T251 G256 F257 L258 L309 M372	L143-I254 HydrophobicContact CD2-CG2 3.86Å; F241-I254 HydrophobicContact CD2-CD1 3.99Å; F241-I254 HydrophobicContact CE2-CD1 4.47Å; F241-I254 HydrophobicContact CG-CD1 4.48Å; V249-I254 HydrophobicContact CG1-CD1 3.35Å; V249-I254 HydrophobicContact CG1-CG1 4.37Å; N250-I254 PolarHBondContact O-N 2.92Å; T251-I254 PolarHBondContact O-N 2.99Å; I254-G256 VanDerWaalsContact C-N 3.33Å; I254-G256 PolarHBondContact O-N 3.29Å; I254-F257 WeakPolarHBondContact O-CB 3.42Å; I254-F257 PolarHBondContact O-N 2.88Å; I254-F257 VanDerWaalsContact O-N 3.13Å; I254-L258 HydrophobicContact CG2-CD1 3.68Å; I254-L258 HydrophobicContact CG2-CG 4.19Å; I254-L258 WeakPolarHBondContact O-CG 3.01Å; I254-L258 PolarHBondContact O-N 2.98Å; I254-L309 HydrophobicContact CG2-CD1 3.99Å; I254-L309 HydrophobicContact CG2-CD2 3.99Å; I254-M372 HydrophobicContact CG1-CB 4.13Å; I254-M372 HydrophobicContact CG1-CG 4.2Å
255	L	97.7	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-44.3	179.1	-75.2	177.8	0	0	0	112.2	F142 L143 I170 A171 M173 V175 T251 Y252 F257 L258 K259	F142-L255 HydrophobicContact CD1-CD2 3.73Å; F142-L255 HydrophobicContact CE1-CD2 3.92Å; L143-L255 HydrophobicContact CB-CD2 4.2Å; L143-L255 HydrophobicContact CD2-CD2 4.03Å; L143-L255 HydrophobicContact CD2-CG 4.46Å; I170-L255 HydrophobicContact CB-CD1 3.92Å; I170-L255 HydrophobicContact CG2-CD1 3.62Å; A171-L255 HydrophobicContact CB-CD1 4.3Å; M173-L255 HydrophobicContact CB-CD2 4.19Å; M173-L255 HydrophobicContact CE-CB 3.69Å; M173-L255 HydrophobicContact CE-CD1 4.29Å; M173-L255 HydrophobicContact CE-CD2 4.02Å; M173-L255 HydrophobicContact CE-CG 4.21Å; M173-L255 HydrophobicContact SD-CD2 4.08Å; V175-L255 HydrophobicContact CG2-CD1 4.16Å; V175-L255 HydrophobicContact CG2-CD2 4.23Å; T251-L255 HydrophobicContact CG2-CD1 4.29Å; T251-L255 HydrophobicContact CG2-CG 4.41Å; T251-L255 WeakPolarHBondContact O-CB 3.48Å; T251-L255 VanDerWaalsContact O-CG 3.27Å; T251-L255 WeakPolarHBondContact O-CG 3.32Å; T251-L255 PolarHBondContact O-N 3.41Å; Y252-L255 PolarHBondContact O-N 2.88Å; L255-F257 PolarHBondContact O-N 3.1Å; L255-L258 PolarHBondContact O-N 3.38Å; L255-K259 WeakPolarHBondContact O-CB 3.32Å; L255-K259 PolarHBondContact O-N 2.82Å
256	G	96.6	Very high	95.8	Very high	51 Å²	51	46.3 Å²	46.3	53%	0.526	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-40.2	175.4	0	0	0	0	0	113.4	Y252 I254	Y252-G256 PolarHBondContact O-N 3.06Å; I254-G256 VanDerWaalsContact C-N 3.33Å; I254-G256 PolarHBondContact O-N 3.29Å
257	F	97.2	Very high	95.7	Very high	46 Å²	46	52.2 Å²	52.2	20%	0.202	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-48.3	174.5	168.1	-104	0	0	0	111.9	R253 I254 L255 K259 G260 L261 L269 V271 L309 M372	R253-F257 WeakPolarHBondContact O-CB 3.4Å; R253-F257 PolarHBondContact O-N 3.28Å; I254-F257 WeakPolarHBondContact O-CB 3.42Å; I254-F257 PolarHBondContact O-N 2.88Å; I254-F257 VanDerWaalsContact O-N 3.13Å; L255-F257 PolarHBondContact O-N 3.1Å; F257-K259 VanDerWaalsContact C-N 3.33Å; F257-K259 PolarHBondContact O-N 3.3Å; F257-G260 PolarHBondContact O-N 2.92Å; F257-G260 VanDerWaalsContact O-N 3.15Å; F257-L261 HydrophobicContact CD1-CD1 4.41Å; F257-L261 HydrophobicContact CE1-CD1 3.89Å; F257-L261 HydrophobicContact CE2-CD2 4.4Å; F257-L261 HydrophobicContact CZ-CD1 4.18Å; F257-L261 HydrophobicContact CZ-CD2 4.22Å; F257-L269 HydrophobicContact CE1-CD1 4.25Å; F257-L269 HydrophobicContact CZ-CD1 4.33Å; F257-V271 HydrophobicContact CE1-CG2 4.01Å; F257-V271 HydrophobicContact CZ-CG1 4.34Å; F257-V271 HydrophobicContact CZ-CG2 4.38Å; F257-L309 HydrophobicContact CD1-CD2 3.94Å; F257-L309 HydrophobicContact CE1-CD2 4.01Å; F257-M372 HydrophobicContact CB-CE 3.37Å; F257-M372 HydrophobicContact CD1-CE 3.61Å; F257-M372 HydrophobicContact CD2-CE 3.67Å; F257-M372 HydrophobicContact CE1-CE 4.29Å; F257-M372 HydrophobicContact CE2-CE 4.34Å; F257-M372 HydrophobicContact CG-CE 3.26Å
258	L	97.6	Very high	95.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-36.4	-178.1	-72.3	175	0	0	0	113	F142 L143 Y239 I254 L255 G260 L261 L269 L309	F142-L258 HydrophobicContact CE1-CB 3.75Å; F142-L258 HydrophobicContact CE1-CD1 3.97Å; F142-L258 HydrophobicContact CZ-CB 3.88Å; L143-L258 HydrophobicContact CD1-CD1 4.11Å; Y239-L258 HydrophobicContact CD1-CD2 3.56Å; Y239-L258 HydrophobicContact CD2-CB 4.06Å; Y239-L258 HydrophobicContact CD2-CD1 3.77Å; Y239-L258 HydrophobicContact CD2-CD2 3.78Å; Y239-L258 HydrophobicContact CD2-CG 4.08Å; Y239-L258 HydrophobicContact CE1-CD2 3.79Å; Y239-L258 HydrophobicContact CE2-CB 3.94Å; Y239-L258 HydrophobicContact CE2-CD1 4.49Å; Y239-L258 HydrophobicContact CE2-CD2 3.96Å; Y239-L258 HydrophobicContact CE2-CG 4.35Å; Y239-L258 HydrophobicContact CG-CD1 3.86Å; Y239-L258 HydrophobicContact CG-CD2 3.55Å; Y239-L258 HydrophobicContact CG-CG 4.21Å; I254-L258 HydrophobicContact CG2-CD1 3.68Å; I254-L258 HydrophobicContact CG2-CG 4.19Å; I254-L258 WeakPolarHBondContact O-CG 3.01Å; I254-L258 PolarHBondContact O-N 2.98Å; L255-L258 PolarHBondContact O-N 3.38Å; L258-G260 PolarHBondContact O-N 3.23Å; L258-L261 HydrophobicContact CD2-CD1 3.97Å; L258-L261 PolarHBondContact O-N 3.25Å; L258-L269 HydrophobicContact CD2-CD2 3.56Å; L258-L309 HydrophobicContact CD1-CD1 4.12Å; L258-L309 HydrophobicContact CD1-CD2 4.23Å; L258-L309 HydrophobicContact CD2-CD1 4.4Å; L258-L309 HydrophobicContact CD2-CD2 3.51Å; L258-L309 HydrophobicContact CD2-CG 4.12Å; L258-L309 HydrophobicContact CG-CD2 3.9Å
259	K	94.9	Very high	95.6	Very high	165 Å²	165	55.6 Å²	55.6	72%	0.717	31%	0.306	S	S	*	.	H	α-helix	trans	-63.2	-29.5	176.6	-171.7	177.5	-179.6	178.8	0	112.5	L255 F257 L261	L255-K259 WeakPolarHBondContact O-CB 3.32Å; L255-K259 PolarHBondContact O-N 2.82Å; F257-K259 VanDerWaalsContact C-N 3.33Å; F257-K259 PolarHBondContact O-N 3.3Å; K259-L261 VanDerWaalsContact C-N 3.29Å; K259-L261 PolarHBondContact O-N 2.91Å
260	G	93.2	Very high	95.6	Very high	65 Å²	65	56 Å²	56	67%	0.67	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.9	177.7	0	0	0	0	0	114.6	F257 L258	F257-G260 PolarHBondContact O-N 2.92Å; F257-G260 VanDerWaalsContact O-N 3.15Å; L258-G260 PolarHBondContact O-N 3.23Å
261	L	94.6	Very high	95.6	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	31%	0.306	C	S	.	.			trans	-90.2	138.7	-179.1	-60.1	176.3	0	0	0	111.5	F257 L258 K259 K265 A266 L269	F257-L261 HydrophobicContact CD1-CD1 4.41Å; F257-L261 HydrophobicContact CE1-CD1 3.89Å; F257-L261 HydrophobicContact CE2-CD2 4.4Å; F257-L261 HydrophobicContact CZ-CD1 4.18Å; F257-L261 HydrophobicContact CZ-CD2 4.22Å; L258-L261 HydrophobicContact CD2-CD1 3.97Å; L258-L261 PolarHBondContact O-N 3.25Å; K259-L261 VanDerWaalsContact C-N 3.29Å; K259-L261 PolarHBondContact O-N 2.91Å; L261-K265 HydrophobicContact CD2-CD 4.1Å; L261-K265 HydrophobicContact CD2-CG 4.22Å; L261-A266 HydrophobicContact CB-CB 4.05Å; L261-L269 HydrophobicContact CD1-CD1 3.64Å; L261-L269 HydrophobicContact CD1-CD2 3.63Å; L261-L269 HydrophobicContact CD1-CG 4.18Å
262	S	91.7	Very high	95.6	Very high	93 Å²	93	55.6 Å²	55.6	65%	0.65	31%	0.306	S	S	*	.			trans	-145.7	162.3	176.1	64.5	0	0	0	0	111.9
263	G	92	Very high	95.7	Very high	43 Å²	43	51.7 Å²	51.7	44%	0.443	29%	0.292	S	S	.	.	H	α-helix	trans	62.3	-146	174	0	0	0	0	0	114	K265 A266 R267	G263-K265 PolarHBondContact O-N 3.26Å; G263-A266 PolarHBondContact O-N 3.05Å; G263-A266 VanDerWaalsContact O-N 3.12Å; G263-R267 PolarHBondContact O-N 2.88Å
264	P	90.9	Very high	95.8	Very high	104 Å²	104	46.4 Å²	46.4	68%	0.675	27%	0.273	S	S	*	.	H	α-helix	trans	-56.1	-36.5	-177.5	-26.5	35.2	0	0	0	113.6	A266 R267 D268	P264-A266 VanDerWaalsContact C-N 3.28Å; P264-A266 PolarHBondContact O-N 3.48Å; P264-R267 PolarHBondContact O-N 3.46Å; P264-R267 VanDerWaalsContact O-N 3.09Å; P264-D268 PolarHBondContact O-N 3.46Å
265	K	91.3	Very high	95.7	Very high	108 Å²	108	49 Å²	49	47%	0.47	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-33.3	-179.8	-171.2	171.7	-174.8	167.1	0	113	L261 G263 L269 E347	L261-K265 HydrophobicContact CD2-CD 4.1Å; L261-K265 HydrophobicContact CD2-CG 4.22Å; G263-K265 PolarHBondContact O-N 3.26Å; K265-L269 WeakPolarHBondContact O-CB 3.5Å; K265-L269 PolarHBondContact O-N 3.36Å; K265-E347 IonicContact NZ-OE2 2.7Å
266	A	95.3	Very high	95.6	Very high	11 Å²	11	52.9 Å²	52.9	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-72.6	-37.4	174.4	0	0	0	0	0	111.8	Y239 L261 G263 P264 S311	Y239-A266 WeakPolarHBondContact OH-CB 3.44Å; L261-A266 HydrophobicContact CB-CB 4.05Å; G263-A266 PolarHBondContact O-N 3.05Å; G263-A266 VanDerWaalsContact O-N 3.12Å; P264-A266 VanDerWaalsContact C-N 3.28Å; P264-A266 PolarHBondContact O-N 3.48Å; A266-S311 WeakPolarHBondContact O-CB 3.45Å
267	R	95.5	Very high	95.4	Very high	158 Å²	158	57.9 Å²	57.9	60%	0.596	33%	0.325	S	S	*	.	H	α-helix	trans	-74.8	-37.9	-176.8	-63.2	-174.3	70.9	-166.2	0.4	113.1	G263 P264 S311 D313	G263-R267 PolarHBondContact O-N 2.88Å; P264-R267 PolarHBondContact O-N 3.46Å; P264-R267 VanDerWaalsContact O-N 3.09Å; R267-S311 WeakPolarHBondContact O-CB 3.35Å; R267-S311 PolarHBondContact O-OG 3.2Å; R267-D313 WeakPolarHBondContact CG-OD2 3.44Å; R267-D313 IonicContact CZ-OD2 3.25Å; R267-D313 IonicContact NE-OD2 3.85Å; R267-D313 PolarHBondContact NE-OD2 2.98Å; R267-D313 IonicContact NH2-OD2 3.97Å
268	D	96.4	Very high	95.3	Very high	70 Å²	70	56.7 Å²	56.7	37%	0.374	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	17.1	179.6	-66.2	-35.6	0	0	0	113	P264 F270 R317	P264-D268 PolarHBondContact O-N 3.46Å; D268-F270 PolarHBondContact O-N 2.95Å; D268-R317 IonicContact OD1-CZ 2.76Å; D268-R317 IonicContact OD1-NH1 3.63Å; D268-R317 PolarHBondContact OD1-NH1 2.92Å
269	L	98.4	Very high	95.2	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.026	34%	0.338	C	S	.	.			trans	-58.1	123.8	-176.9	-176.1	72.1	0	0	0	110.9	Y239 F257 L258 L261 K265 V271 L309 Y310 S311 L314	Y239-L269 HydrophobicContact CD1-CD2 3.77Å; Y239-L269 HydrophobicContact CE1-CD2 3.81Å; F257-L269 HydrophobicContact CE1-CD1 4.25Å; F257-L269 HydrophobicContact CZ-CD1 4.33Å; L258-L269 HydrophobicContact CD2-CD2 3.56Å; L261-L269 HydrophobicContact CD1-CD1 3.64Å; L261-L269 HydrophobicContact CD1-CD2 3.63Å; L261-L269 HydrophobicContact CD1-CG 4.18Å; K265-L269 WeakPolarHBondContact O-CB 3.5Å; K265-L269 PolarHBondContact O-N 3.36Å; L269-V271 HydrophobicContact CD1-CG1 3.5Å; L269-V271 HydrophobicContact CD1-CG2 4.34Å; L269-V271 HydrophobicContact CG-CG1 4.33Å; L269-L309 HydrophobicContact CD2-CD2 4.28Å; L269-L309 HydrophobicContact CD2-CG 4.24Å; L269-Y310 CarbonylContact O-C 3.6Å; L269-Y310 WeakPolarHBondContact O-CA 3.44Å; L269-Y310 WeakPolarHBondContact O-CB 3.37Å; L269-S311 PolarHBondContact O-N 3.5Å; L269-S311 VanDerWaalsContact O-N 3.13Å; L269-L314 WeakPolarHBondContact O-CD2 3.42Å
270	F	98.6	Very high	95.3	Very high	8 Å²	8	51 Å²	51	4%	0.035	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	111.4	160	-161.5	-66.2	0	0	0	108.6	D268 A303 Y308 L309 Y310 L314 L318 T335 L339 P346 E347	D268-F270 PolarHBondContact O-N 2.95Å; F270-A303 HydrophobicContact CE1-CB 3.87Å; F270-Y308 AromaticContact CE1-CD2 3.96Å; F270-Y308 HydrophobicContact CE1-CD2 3.96Å; F270-Y308 AromaticContact CE1-CG 3.98Å; F270-Y308 HydrophobicContact CE1-CG 3.98Å; F270-Y308 HydrophobicContact CE2-CD2 4.17Å; F270-Y308 HydrophobicContact CE2-CE2 4.24Å; F270-Y308 HydrophobicContact CZ-CD1 4.5Å; F270-Y308 AromaticContact CZ-CD2 3.5Å; F270-Y308 HydrophobicContact CZ-CD2 3.5Å; F270-Y308 AromaticContact CZ-CE2 3.72Å; F270-Y308 HydrophobicContact CZ-CE2 3.72Å; F270-Y308 AromaticContact CZ-CG 3.92Å; F270-Y308 HydrophobicContact CZ-CG 3.92Å; F270-L309 CarbonylContact C-O 3.39Å; F270-L309 WeakPolarHBondContact CA-O 3.23Å; F270-Y310 HydrophobicContact CD2-CG 4.29Å; F270-Y310 HydrophobicContact CE2-CD1 4.43Å; F270-Y310 HydrophobicContact CE2-CG 4.41Å; F270-L314 HydrophobicContact CB-CD2 3.71Å; F270-L314 HydrophobicContact CD2-CD2 3.78Å; F270-L314 HydrophobicContact CG-CD2 4.25Å; F270-L318 HydrophobicContact CD2-CD1 4.39Å; F270-L318 HydrophobicContact CE2-CD1 4.14Å; F270-T335 HydrophobicContact CE2-CG2 3.71Å; F270-T335 HydrophobicContact CZ-CG2 3.67Å; F270-L339 HydrophobicContact CD1-CD1 3.96Å; F270-L339 HydrophobicContact CD2-CD1 3.75Å; F270-L339 HydrophobicContact CD2-CD2 3.76Å; F270-L339 HydrophobicContact CD2-CG 4.24Å; F270-L339 HydrophobicContact CE1-CD1 3.97Å; F270-L339 HydrophobicContact CE2-CD1 3.77Å; F270-L339 HydrophobicContact CE2-CD2 4.23Å; F270-L339 HydrophobicContact CE2-CG 4.31Å; F270-L339 HydrophobicContact CG-CD1 3.83Å; F270-L339 HydrophobicContact CG-CD2 4.25Å; F270-L339 HydrophobicContact CZ-CD1 3.88Å; F270-P346 HydrophobicContact CD1-CB 3.41Å; F270-P346 VanDerWaalsContact CD1-CB 3.41Å; F270-P346 HydrophobicContact CE1-CB 3.92Å; F270-P346 HydrophobicContact CG-CB 4.23Å; F270-E347 PolarHBondContact O-N 3.41Å
271	V	98.1	Very high	95.5	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.7	-175	-57.2	0	0	0	0	112	F257 L269 Y308 L309 E347 H349 F352	F257-V271 HydrophobicContact CE1-CG2 4.01Å; F257-V271 HydrophobicContact CZ-CG1 4.34Å; F257-V271 HydrophobicContact CZ-CG2 4.38Å; L269-V271 HydrophobicContact CD1-CG1 3.5Å; L269-V271 HydrophobicContact CD1-CG2 4.34Å; L269-V271 HydrophobicContact CG-CG1 4.33Å; V271-Y308 WeakPolarHBondContact O-CA 3.35Å; V271-Y308 WeakPolarHBondContact O-CB 3.32Å; V271-L309 HydrophobicContact CG2-CB 3.76Å; V271-L309 HydrophobicContact CG2-CD2 4.07Å; V271-L309 HydrophobicContact CG2-CG 4.35Å; V271-L309 PolarHBondContact N-O 3.18Å; V271-L309 PolarHBondContact O-N 3.1Å; V271-E347 WeakPolarHBondContact CA-O 3.2Å; V271-E347 HydrophobicContact CG1-CB 4.16Å; V271-H349 HydrophobicContact CB-CB 4.39Å; V271-F352 HydrophobicContact CG2-CE2 4.21Å; V271-F352 HydrophobicContact CG2-CZ 4.47Å
272	G	98.1	Very high	95.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	-160	175.5	0	0	0	0	0	111.7	V274 E347 K348 H349	G272-V274 PolarHBondContact O-N 3.03Å; G272-E347 PolarHBondContact N-O 3.22Å; G272-K348 WeakPolarHBondContact O-CA 3.46Å; G272-H349 PolarHBondContact O-N 2.95Å
273	D	97.6	Very high	95.7	Very high	20 Å²	20	55.8 Å²	55.8	11%	0.107	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	96.5	166.6	-170.6	17.5	0	0	0	109.6	A303 G304 K348 F352 T354	D273-A303 WeakPolarHBondContact O-CA 3.35Å; D273-G304 PolarHBondContact O-N 2.76Å; D273-K348 VanDerWaalsContact OD1-CE 3.32Å; D273-K348 WeakPolarHBondContact OD1-CE 3.49Å; D273-K348 IonicContact OD1-NZ 3Å; D273-K348 PolarHBondContact OD1-NZ 2.92Å; D273-F352 HydrophobicContact CB-CB 3.97Å; D273-T354 HydrophobicContact CB-CG2 3.55Å; D273-T354 PolarHBondContact OD2-OG1 3.19Å
274	V	97.7	Very high	95.8	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.048	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.3	-173.9	178.9	0	0	0	0	110.9	G272 T276 P301 Y302 A303 P346 E347 K348	G272-V274 PolarHBondContact O-N 3.03Å; V274-T276 HydrophobicContact CG1-CG2 4.1Å; V274-P301 HydrophobicContact CG1-CB 4.23Å; V274-Y302 WeakPolarHBondContact CA-O 3.42Å; V274-A303 HydrophobicContact CG2-CB 4.22Å; V274-P346 HydrophobicContact CG1-CG 3.91Å; V274-P346 HydrophobicContact CG2-CB 3.73Å; V274-P346 HydrophobicContact CG2-CG 3.85Å; V274-E347 VanDerWaalsContact CG2-C 3.48Å; V274-E347 WeakPolarHBondContact CG2-O 3.36Å; V274-K348 HydrophobicContact CB-CB 4.02Å; V274-K348 HydrophobicContact CG2-CB 4.34Å; V274-K348 PolarHBondContact O-NZ 3.25Å
275	I	95.4	Very high	95.9	Very high	55 Å²	55	65.7 Å²	65.7	28%	0.282	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.7	173.1	-57.3	172	0	0	0	107.8	A278 P301 Y302	I275-A278 HydrophobicContact CG2-CB 3.71Å; I275-P301 WeakPolarHBondContact O-CA 3.43Å; I275-Y302 HydrophobicContact CB-CE1 4.17Å; I275-Y302 HydrophobicContact CB-CE2 4.45Å; I275-Y302 HydrophobicContact CD1-CE2 3.89Å; I275-Y302 HydrophobicContact CG2-CE1 4.28Å; I275-Y302 PolarHBondContact N-O 3.07Å; I275-Y302 PolarHBondContact O-N 2.91Å
276	T	95.6	Very high	96	Very high	81 Å²	81	62.9 Å²	62.9	50%	0.497	31%	0.314	S	S	.	.			trans	-119.7	160.4	176.4	59	0	0	0	0	110.2	V274 A278 P301	V274-T276 HydrophobicContact CG1-CG2 4.1Å; T276-A278 PolarHBondContact O-N 2.94Å; T276-A278 VanDerWaalsContact O-N 3.08Å; T276-P301 HydrophobicContact CG2-CB 4.17Å; T276-P301 HydrophobicContact CG2-CG 4.31Å
277	N	93.7	Very high	95.8	Very high	156 Å²	156	67.9 Å²	67.9	83%	0.834	33%	0.334	S	S	*	.	S	Bend	trans	55.6	27.2	178.5	-53.6	-36.7	0	0	0	114
278	A	94.6	Very high	95.8	Very high	21 Å²	21	64.8 Å²	64.8	17%	0.174	32%	0.323	C	S	.	.			trans	-86.1	161.7	176.8	0	0	0	0	0	111.6	I275 T276 Y299 Y302	I275-A278 HydrophobicContact CG2-CB 3.71Å; T276-A278 PolarHBondContact O-N 2.94Å; T276-A278 VanDerWaalsContact O-N 3.08Å; A278-Y299 HydrophobicContact CB-CD2 4.27Å; A278-Y299 PolarHBondContact O-N 3.23Å; A278-Y302 HydrophobicContact CB-CE1 4.1Å
279	G	95.9	Very high	95.8	Very high	30 Å²	30	62 Å²	62	31%	0.309	31%	0.308	S	S	.	.			trans	-146.1	173	173	0	0	0	0	0	111.2	H281	G279-H281 PolarHBondContact O-N 3.02Å
280	P	96.9	Very high	95.8	Very high	17 Å²	17	61.8 Å²	61.8	11%	0.11	31%	0.306	C	S	.	.			trans	-60.3	131	177.7	25.7	-36.1	0	0	0	111.8	R282 I290 Y295 G297 Y299	P280-R282 VanDerWaalsContact CG-NH2 3.26Å; P280-R282 PolarHBondContact O-N 3.15Å; P280-I290 HydrophobicContact CB-CB 3.86Å; P280-I290 HydrophobicContact CB-CG1 4.48Å; P280-I290 HydrophobicContact CB-CG2 4.26Å; P280-Y295 HydrophobicContact CB-CD1 4.27Å; P280-Y295 HydrophobicContact CG-CD1 3.94Å; P280-Y295 HydrophobicContact CG-CE1 4.31Å; P280-G297 VanDerWaalsContact CD-O 3.29Å; P280-G297 WeakPolarHBondContact CD-O 3.43Å; P280-Y299 WeakPolarHBondContact CA-OH 3.41Å; P280-Y299 HydrophobicContact CB-CE1 4.35Å
281	H	96.4	Very high	95.7	Very high	103 Å²	103	61.6 Å²	61.6	48%	0.477	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-70	130.6	171.2	-67	-78.2	0	0	0	110.2	G279 V286 F289 I290	G279-H281 PolarHBondContact O-N 3.02Å; H281-V286 HydrophobicContact CB-CG2 3.55Å; H281-F289 WeakPolarHBondContact O-CA 3.37Å; H281-F289 WeakPolarHBondContact O-CD2 3.49Å; H281-I290 PolarHBondContact O-N 2.71Å
282	R	95.9	Very high	95.6	Very high	84 Å²	84	67.8 Å²	67.8	32%	0.317	34%	0.335	S	S	.	.			trans	-100.7	-7.4	-178.1	-55.8	-52	-168.9	-174.2	4.3	114.3	P280 K284 F289 I290 P291 Y295	P280-R282 VanDerWaalsContact CG-NH2 3.26Å; P280-R282 PolarHBondContact O-N 3.15Å; R282-K284 PolarHBondContact O-N 3.45Å; R282-F289 VanDerWaalsContact O-CE2 3.3Å; R282-F289 WeakPolarHBondContact O-CE2 3.15Å; R282-I290 WeakPolarHBondContact CD-O 3.2Å; R282-I290 PolarHBondContact NH1-O 2.86Å; R282-P291 VanDerWaalsContact NH1-C 3.34Å; R282-P291 PolarHBondContact NH1-O 3.17Å; R282-Y295 PolarHBondContact NH1-O 3.07Å; R282-Y295 PolarHBondContact NH2-O 3.42Å
283	D	95.3	Very high	95.4	Very high	86 Å²	86	68.8 Å²	68.8	46%	0.46	34%	0.341	S	S	.	.			trans	-74.4	118.3	172.8	-176.7	-3.8	0	0	0	110.2	K285 V286 F289	D283-K285 PolarHBondContact O-N 3.24Å; D283-K285 VanDerWaalsContact O-N 3.12Å; D283-K285 WeakPolarHBondContact OD1-CB 3.39Å; D283-K285 WeakPolarHBondContact OD1-CG 3.43Å; D283-K285 PolarHBondContact OD1-N 3.48Å; D283-V286 HydrophobicContact CB-CG1 4.23Å; D283-V286 HydrophobicContact CB-CG2 4.4Å; D283-V286 WeakPolarHBondContact O-CG2 3.42Å; D283-V286 PolarHBondContact O-N 3.14Å; D283-F289 WeakPolarHBondContact O-CB 3.25Å; D283-F289 WeakPolarHBondContact O-CD2 3.35Å
284	K	93.7	Very high	95.3	Very high	162 Å²	162	67.8 Å²	67.8	70%	0.704	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.1	179.3	-66.4	-178	179.7	-177.1	0	113.4	R282 F289	R282-K284 PolarHBondContact O-N 3.45Å; K284-F289 HydrophobicContact CG-CD2 4.28Å; K284-F289 HydrophobicContact CG-CE1 4.1Å; K284-F289 HydrophobicContact CG-CE2 3.79Å; K284-F289 HydrophobicContact CG-CZ 3.7Å
285	K	92.9	Very high	95.3	Very high	193 Å²	193	67.7 Å²	67.7	84%	0.839	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-19.2	-177.9	-61.5	178.5	-179.1	178.8	0	113.4	D283	D283-K285 PolarHBondContact O-N 3.24Å; D283-K285 VanDerWaalsContact O-N 3.12Å; D283-K285 WeakPolarHBondContact OD1-CB 3.39Å; D283-K285 WeakPolarHBondContact OD1-CG 3.43Å; D283-K285 PolarHBondContact OD1-N 3.48Å
286	V	94.1	Very high	95.3	Very high	49 Å²	49	67.4 Å²	67.4	30%	0.297	34%	0.336	S	S	.	.	S	Bend	trans	-84.4	148.1	-177.8	-58.2	0	0	0	0	112	H281 D283 Y288 F289	H281-V286 HydrophobicContact CB-CG2 3.55Å; D283-V286 HydrophobicContact CB-CG1 4.23Å; D283-V286 HydrophobicContact CB-CG2 4.4Å; D283-V286 WeakPolarHBondContact O-CG2 3.42Å; D283-V286 PolarHBondContact O-N 3.14Å; V286-Y288 PolarHBondContact O-N 3.45Å; V286-F289 HydrophobicContact CG2-CB 4.29Å; V286-F289 WeakPolarHBondContact O-CB 3.44Å; V286-F289 PolarHBondContact O-N 3.29Å
287	K	91.8	Very high	95.2	Very high	116 Å²	116	65.9 Å²	65.9	50%	0.504	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-42.6	178.3	179	179.7	175	-172.6	0	112.2	F216 F289	F216-K287 VanDerWaalsContact CE2-CE 3.48Å; K287-F289 VanDerWaalsContact C-N 3.35Å; K287-F289 PolarHBondContact O-N 3.15Å
288	Y	94.4	Very high	95.3	Very high	93 Å²	93	63.2 Å²	63.2	37%	0.365	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	24	-174.8	-55	-83.7	0	0	0	113.7	F216 V286 I290 I330	F216-Y288 HydrophobicContact CE1-CD1 4.18Å; F216-Y288 HydrophobicContact CE1-CE1 4.36Å; F216-Y288 AromaticContact CE2-CE1 3.9Å; F216-Y288 HydrophobicContact CE2-CE1 3.9Å; F216-Y288 AromaticContact CZ-CD1 3.56Å; F216-Y288 HydrophobicContact CZ-CD1 3.56Å; F216-Y288 AromaticContact CZ-CE1 3.36Å; F216-Y288 HydrophobicContact CZ-CE1 3.36Å; V286-Y288 PolarHBondContact O-N 3.45Å; Y288-I290 PolarHBondContact O-N 3.05Å; Y288-I330 HydrophobicContact CD1-CD1 4.25Å; Y288-I330 HydrophobicContact CD1-CG2 4.35Å
289	F	96.9	Very high	95.5	Very high	13 Å²	13	62.7 Å²	62.7	6%	0.057	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-56	136.4	174	170.1	-113.8	0	0	0	110.6	F115 H281 R282 D283 K284 V286 K287 P291	F115-F289 AromaticContact CE2-CD1 3.77Å; F115-F289 HydrophobicContact CE2-CD1 3.77Å; F115-F289 HydrophobicContact CE2-CE1 4.03Å; F115-F289 AromaticContact CZ-CD1 3.73Å; F115-F289 HydrophobicContact CZ-CD1 3.73Å; F115-F289 HydrophobicContact CZ-CE1 4.09Å; F115-F289 VanDerWaalsContact CZ-O 3.32Å; F115-F289 WeakPolarHBondContact CZ-O 3.37Å; H281-F289 WeakPolarHBondContact O-CA 3.37Å; H281-F289 WeakPolarHBondContact O-CD2 3.49Å; R282-F289 VanDerWaalsContact O-CE2 3.3Å; R282-F289 WeakPolarHBondContact O-CE2 3.15Å; D283-F289 WeakPolarHBondContact O-CB 3.25Å; D283-F289 WeakPolarHBondContact O-CD2 3.35Å; K284-F289 HydrophobicContact CG-CD2 4.28Å; K284-F289 HydrophobicContact CG-CE1 4.1Å; K284-F289 HydrophobicContact CG-CE2 3.79Å; K284-F289 HydrophobicContact CG-CZ 3.7Å; V286-F289 HydrophobicContact CG2-CB 4.29Å; V286-F289 WeakPolarHBondContact O-CB 3.44Å; V286-F289 PolarHBondContact O-N 3.29Å; K287-F289 VanDerWaalsContact C-N 3.35Å; K287-F289 PolarHBondContact O-N 3.15Å; F289-P291 HydrophobicContact CE1-CB 4.13Å; F289-P291 HydrophobicContact CE1-CG 4.4Å; F289-P291 HydrophobicContact CZ-CB 3.79Å
290	I	97.8	Very high	95.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.			trans	-134.8	124.8	169.2	-60.4	-67.4	0	0	0	108.7	F115 P280 H281 R282 Y288 M294 P329 I330	F115-I290 HydrophobicContact CE1-CD1 4.2Å; P280-I290 HydrophobicContact CB-CB 3.86Å; P280-I290 HydrophobicContact CB-CG1 4.48Å; P280-I290 HydrophobicContact CB-CG2 4.26Å; H281-I290 PolarHBondContact O-N 2.71Å; R282-I290 WeakPolarHBondContact CD-O 3.2Å; R282-I290 PolarHBondContact NH1-O 2.86Å; Y288-I290 PolarHBondContact O-N 3.05Å; I290-M294 HydrophobicContact CG2-CB 4.48Å; I290-M294 HydrophobicContact CG2-SD 4.37Å; I290-P329 HydrophobicContact CD1-CB 3.97Å; I290-P329 HydrophobicContact CD1-CG 4Å; I290-I330 HydrophobicContact CD1-CD1 4.23Å; I290-I330 HydrophobicContact CD1-CG1 4.39Å; I290-I330 HydrophobicContact CG1-CD1 4.1Å
291	P	96.7	Very high	95.6	Very high	4 Å²	4	63.1 Å²	63.1	3%	0.026	32%	0.317	C	S	.	.			trans	-72.6	150.8	-178.9	29.5	-34.1	0	0	0	112	L111 F115 R282 F289 S293 M294 Y295	L111-P291 HydrophobicContact CD2-CB 4.03Å; L111-P291 HydrophobicContact CD2-CG 3.81Å; F115-P291 HydrophobicContact CD1-CG 4.23Å; F115-P291 HydrophobicContact CE1-CG 4.05Å; F115-P291 HydrophobicContact CZ-CG 4.41Å; R282-P291 VanDerWaalsContact NH1-C 3.34Å; R282-P291 PolarHBondContact NH1-O 3.17Å; F289-P291 HydrophobicContact CE1-CB 4.13Å; F289-P291 HydrophobicContact CE1-CG 4.4Å; F289-P291 HydrophobicContact CZ-CB 3.79Å; P291-S293 PolarHBondContact O-N 2.75Å; P291-M294 HydrophobicContact CG-CB 3.74Å; P291-M294 PolarHBondContact O-N 3.15Å; P291-M294 VanDerWaalsContact O-N 3.09Å; P291-Y295 PolarHBondContact O-N 3.46Å
292	E	96	Very high	95.7	Very high	133 Å²	133	59.6 Å²	59.6	62%	0.621	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.1	176.9	-71.6	-172.2	173	0	0	112.9	P55 M294	P55-E292 WeakPolarHBondContact CB-O 3.42Å; P55-E292 WeakPolarHBondContact CG-O 3.47Å; E292-M294 PolarHBondContact O-N 2.7Å
293	S	94.9	Very high	95.7	Very high	20 Å²	20	55.7 Å²	55.7	14%	0.14	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.7	174.7	59.5	0	0	0	0	114.2	P55 Y56 D107 P291	P55-S293 VanDerWaalsContact CB-O 3.29Å; P55-S293 WeakPolarHBondContact CB-O 3.48Å; Y56-S293 PolarHBondContact N-O 3.43Å; D107-S293 VanDerWaalsContact CG-CB 3.5Å; D107-S293 WeakPolarHBondContact OD1-CB 3.36Å; D107-S293 PolarHBondContact OD1-OG 2.93Å; D107-S293 PolarHBondContact OD2-OG 3.01Å; D107-S293 VanDerWaalsContact OD2-OG 3.12Å; P291-S293 PolarHBondContact O-N 2.75Å
294	M	95	Very high	95.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-52.1	178.6	-177.7	179.8	-164.6	0	0	112	P55 W57 F115 F118 L119 I290 P291 E292 P329	P55-M294 WeakPolarHBondContact CG-O 3.36Å; W57-M294 WeakPolarHBondContact CB-O 3.43Å; W57-M294 PolarHBondContact N-O 3.39Å; F115-M294 HydrophobicContact CD1-SD 3.72Å; F115-M294 HydrophobicContact CE1-SD 3.87Å; F118-M294 HydrophobicContact CD1-CE 3.35Å; F118-M294 HydrophobicContact CE1-CE 3.25Å; F118-M294 HydrophobicContact CG-CE 4.44Å; F118-M294 HydrophobicContact CZ-CE 4.29Å; L119-M294 HydrophobicContact CD2-CE 4.31Å; I290-M294 HydrophobicContact CG2-CB 4.48Å; I290-M294 HydrophobicContact CG2-SD 4.37Å; P291-M294 HydrophobicContact CG-CB 3.74Å; P291-M294 PolarHBondContact O-N 3.15Å; P291-M294 VanDerWaalsContact O-N 3.09Å; E292-M294 PolarHBondContact O-N 2.7Å; M294-P329 HydrophobicContact CE-CG 3.25Å; M294-P329 HydrophobicContact SD-CG 3.91Å
295	Y	96.8	Very high	94.8	Very high	6 Å²	6	45.3 Å²	45.3	2%	0.024	24%	0.244	C	C	.	.			trans	-143.3	135	-176.3	-178.6	-96.2	0	0	0	113	P55 W57 N58 P280 R282 P291 T298 Y299 Y328 M337	P55-Y295 VanDerWaalsContact CG-N 3.28Å; W57-Y295 HydrophobicContact CB-CD2 4.49Å; W57-Y295 AromaticContact CD2-CD2 3.97Å; W57-Y295 HydrophobicContact CD2-CD2 3.97Å; W57-Y295 HydrophobicContact CD2-CE2 4.39Å; W57-Y295 AromaticContact CE3-CD2 3.44Å; W57-Y295 HydrophobicContact CE3-CD2 3.44Å; W57-Y295 VanDerWaalsContact CE3-CD2 3.44Å; W57-Y295 AromaticContact CE3-CE2 3.56Å; W57-Y295 HydrophobicContact CE3-CE2 3.56Å; W57-Y295 HydrophobicContact CG-CD2 4.42Å; W57-Y295 HydrophobicContact CH2-CE2 4.5Å; W57-Y295 HydrophobicContact CZ3-CD2 4.03Å; W57-Y295 AromaticContact CZ3-CE2 3.63Å; W57-Y295 HydrophobicContact CZ3-CE2 3.63Å; N58-Y295 WeakPolarHBondContact OD1-CA 3.41Å; N58-Y295 WeakPolarHBondContact OD1-CD2 3.5Å; P280-Y295 HydrophobicContact CB-CD1 4.27Å; P280-Y295 HydrophobicContact CG-CD1 3.94Å; P280-Y295 HydrophobicContact CG-CE1 4.31Å; R282-Y295 PolarHBondContact NH1-O 3.07Å; R282-Y295 PolarHBondContact NH2-O 3.42Å; P291-Y295 PolarHBondContact O-N 3.46Å; Y295-T298 PolarHBondContact OH-O 2.9Å; Y295-Y299 AromaticContact CD1-CE1 3.85Å; Y295-Y299 HydrophobicContact CD1-CE1 3.85Å; Y295-Y299 AromaticContact CE1-CD1 3.71Å; Y295-Y299 HydrophobicContact CE1-CD1 3.71Å; Y295-Y299 AromaticContact CE1-CE1 3.48Å; Y295-Y299 HydrophobicContact CE1-CE1 3.48Å; Y295-Y299 VanDerWaalsContact CE1-CE1 3.48Å; Y295-Y328 HydrophobicContact CD1-CE2 4.38Å; Y295-Y328 WeakPolarHBondContact CD1-OH 3.08Å; Y295-Y328 AromaticContact CD2-CE2 3.78Å; Y295-Y328 HydrophobicContact CD2-CE2 3.78Å; Y295-Y328 HydrophobicContact CE2-CE2 4.41Å; Y295-Y328 AromaticContact CG-CE2 3.76Å; Y295-Y328 HydrophobicContact CG-CE2 3.76Å; Y295-M337 HydrophobicContact CE2-CE 3.96Å
296	T	95.4	Very high	94.6	Very high	48 Å²	48	36.1 Å²	36.1	29%	0.294	21%	0.205	S	C	.	.			trans	-129.4	162.8	168.7	63.6	0	0	0	0	111.2	F54 P55 N58	F54-T296 PolarHBondContact O-OG1 3.2Å; P55-T296 WeakPolarHBondContact CD-OG1 3.49Å; P55-T296 HydrophobicContact CG-CG2 3.87Å; P55-T296 VanDerWaalsContact CG-N 3.34Å; N58-T296 PolarHBondContact ND2-O 3.23Å; N58-T296 PolarHBondContact OD1-N 2.73Å
297	G	94.5	Very high	94.7	Very high	49 Å²	49	34 Å²	34	51%	0.505	19%	0.192	S	C	.	.	S	Bend	trans	101.2	-175.3	-174.2	0	0	0	0	0	112.5	P280	P280-G297 VanDerWaalsContact CD-O 3.29Å; P280-G297 WeakPolarHBondContact CD-O 3.43Å
298	T	95.9	Very high	95.1	Very high	100 Å²	100	28.6 Å²	28.6	61%	0.613	17%	0.169	S	C	*	.	P	Polyproline II helix	trans	-95.5	148.5	-179.8	53.3	0	0	0	0	111.1	Y295	Y295-T298 PolarHBondContact OH-O 2.9Å
299	Y	97.8	Very high	95.2	Very high	10 Å²	10	24.1 Å²	24.1	4%	0.039	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-72.8	143.1	171.2	-66.1	-26.6	0	0	0	110.7	A278 P280 Y295 Y302 Y328 V333	A278-Y299 HydrophobicContact CB-CD2 4.27Å; A278-Y299 PolarHBondContact O-N 3.23Å; P280-Y299 WeakPolarHBondContact CA-OH 3.41Å; P280-Y299 HydrophobicContact CB-CE1 4.35Å; Y295-Y299 AromaticContact CD1-CE1 3.85Å; Y295-Y299 HydrophobicContact CD1-CE1 3.85Å; Y295-Y299 AromaticContact CE1-CD1 3.71Å; Y295-Y299 HydrophobicContact CE1-CD1 3.71Å; Y295-Y299 AromaticContact CE1-CE1 3.48Å; Y295-Y299 HydrophobicContact CE1-CE1 3.48Å; Y295-Y299 VanDerWaalsContact CE1-CE1 3.48Å; Y299-Y302 HydrophobicContact CD2-CE1 4.05Å; Y299-Y328 AromaticContact CE1-CE1 3.91Å; Y299-Y328 HydrophobicContact CE1-CE1 3.91Å; Y299-Y328 AromaticContact CE1-CZ 3.77Å; Y299-Y328 VanDerWaalsContact CE1-OH 3.23Å; Y299-Y328 WeakPolarHBondContact CE1-OH 3.33Å; Y299-Y328 PolarHBondContact OH-OH 3.48Å; Y299-V333 HydrophobicContact CD1-CG1 3.64Å; Y299-V333 HydrophobicContact CD2-CG1 4.27Å; Y299-V333 HydrophobicContact CD2-CG2 3.88Å; Y299-V333 HydrophobicContact CE1-CG1 3.84Å; Y299-V333 HydrophobicContact CE2-CG1 4.43Å; Y299-V333 HydrophobicContact CE2-CG2 3.88Å; Y299-V333 HydrophobicContact CG-CG1 3.87Å; Y299-V333 HydrophobicContact CG-CG2 4.29Å
300	P	97.4	Very high	95.3	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.032	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-62.3	161.5	165.9	30.6	-34.6	0	0	0	109.9	Y302 G336 M337 R340	P300-Y302 WeakPolarHBondContact O-CD1 3.48Å; P300-Y302 PolarHBondContact O-N 3.42Å; P300-G336 VanDerWaalsContact CG-C 3.45Å; P300-M337 HydrophobicContact CG-CB 4.46Å; P300-M337 HydrophobicContact CG-CG 3.86Å; P300-R340 HydrophobicContact CB-CB 4Å
301	P	98	Very high	95.4	Very high	51 Å²	51	23.7 Å²	23.7	33%	0.331	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-52.6	129.7	166	-26.4	36.6	0	0	0	111.1	V274 I275 T276 P346	V274-P301 HydrophobicContact CG1-CB 4.23Å; I275-P301 WeakPolarHBondContact O-CA 3.43Å; T276-P301 HydrophobicContact CG2-CB 4.17Å; T276-P301 HydrophobicContact CG2-CG 4.31Å; P301-P346 HydrophobicContact CB-CG 4.32Å; P301-P346 WeakPolarHBondContact O-CD 3.33Å
302	Y	98	Very high	95.4	Very high	29 Å²	29	24 Å²	24	11%	0.114	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.4	178.8	68.3	-86.1	0	0	0	110.2	V274 I275 A278 Y299 P300 D332 V333	V274-Y302 WeakPolarHBondContact CA-O 3.42Å; I275-Y302 HydrophobicContact CB-CE1 4.17Å; I275-Y302 HydrophobicContact CB-CE2 4.45Å; I275-Y302 HydrophobicContact CD1-CE2 3.89Å; I275-Y302 HydrophobicContact CG2-CE1 4.28Å; I275-Y302 PolarHBondContact N-O 3.07Å; I275-Y302 PolarHBondContact O-N 2.91Å; A278-Y302 HydrophobicContact CB-CE1 4.1Å; Y299-Y302 HydrophobicContact CD2-CE1 4.05Å; P300-Y302 WeakPolarHBondContact O-CD1 3.48Å; P300-Y302 PolarHBondContact O-N 3.42Å; Y302-D332 WeakPolarHBondContact CB-O 3.43Å; Y302-D332 HydrophobicContact CD2-CB 3.82Å; Y302-D332 HydrophobicContact CE2-CB 4.22Å; Y302-V333 HydrophobicContact CD1-CG2 4.15Å; Y302-V333 HydrophobicContact CD2-CG2 4.32Å; Y302-V333 HydrophobicContact CE1-CG2 3.94Å; Y302-V333 HydrophobicContact CE2-CG2 4.09Å; Y302-V333 HydrophobicContact CG-CG2 4.34Å
303	A	97.4	Very high	95.5	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.025	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.4	167.5	0	0	0	0	0	108.5	F270 D273 V274 Y308 D332	F270-A303 HydrophobicContact CE1-CB 3.87Å; D273-A303 WeakPolarHBondContact O-CA 3.35Å; V274-A303 HydrophobicContact CG2-CB 4.22Å; A303-Y308 HydrophobicContact CB-CD1 4.24Å; A303-Y308 HydrophobicContact CB-CG 4.37Å; A303-D332 WeakPolarHBondContact O-CB 3.27Å
304	G	90.6	Very high	95.6	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	-171.9	178.3	0	0	0	0	0	113.8	D273 D332 T354	D273-G304 PolarHBondContact O-N 2.76Å; G304-D332 VanDerWaalsContact CA-CG 3.49Å; G304-D332 WeakPolarHBondContact CA-OD2 3.3Å; G304-T354 WeakPolarHBondContact O-CG2 3.32Å
305	G	78.1	Confident	95.8	Very high	27 Å²	27	20.4 Å²	20.4	28%	0.278	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.1	19.7	165.6	0	0	0	0	0	117	D332 T354	G305-D332 PolarHBondContact N-OD2 2.89Å; G305-T354 WeakPolarHBondContact O-CB 3.36Å; G305-T354 WeakPolarHBondContact O-CG2 3.21Å
306	G	89.1	Confident	95.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.1	-27.8	169.1	0	0	0	0	0	114.7	G243 D244	G243-G306 CarbonylContact C-O 3.45Å; G243-G306 WeakPolarHBondContact CA-O 3.34Å; D244-G306 PolarHBondContact N-O 3.24Å; D244-G306 WeakPolarHBondContact OD2-CA 3.3Å
307	G	96.9	Very high	95.9	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.2	165.2	173.7	0	0	0	0	0	114.9	K242 F352	K242-G307 CarbonylContact O-C 3.59Å; K242-G307 WeakPolarHBondContact O-CA 3.44Å; G307-F352 VanDerWaalsContact O-CD1 3.29Å; G307-F352 WeakPolarHBondContact O-CD1 3.38Å; G307-F352 WeakPolarHBondContact O-CE1 3.47Å
308	Y	98.5	Very high	96.1	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.4	-179.2	45.6	-101.4	0	0	0	110.8	E223 F241 K242 F270 V271 A303 Y310	E223-Y308 PolarHBondContact OE1-OH 3.09Å; F241-Y308 WeakPolarHBondContact CA-O 3.12Å; K242-Y308 HydrophobicContact CB-CD2 4.35Å; K242-Y308 HydrophobicContact CB-CE2 3.96Å; K242-Y308 HydrophobicContact CD-CE2 4.05Å; K242-Y308 WeakPolarHBondContact CD-OH 3.33Å; K242-Y308 HydrophobicContact CG-CE2 4.48Å; K242-Y308 PolarHBondContact N-O 3.36Å; K242-Y308 PolarHBondContact NZ-OH 3.22Å; K242-Y308 PolarHBondContact O-N 3.08Å; F270-Y308 AromaticContact CE1-CD2 3.96Å; F270-Y308 HydrophobicContact CE1-CD2 3.96Å; F270-Y308 AromaticContact CE1-CG 3.98Å; F270-Y308 HydrophobicContact CE1-CG 3.98Å; F270-Y308 HydrophobicContact CE2-CD2 4.17Å; F270-Y308 HydrophobicContact CE2-CE2 4.24Å; F270-Y308 HydrophobicContact CZ-CD1 4.5Å; F270-Y308 AromaticContact CZ-CD2 3.5Å; F270-Y308 HydrophobicContact CZ-CD2 3.5Å; F270-Y308 AromaticContact CZ-CE2 3.72Å; F270-Y308 HydrophobicContact CZ-CE2 3.72Å; F270-Y308 AromaticContact CZ-CG 3.92Å; F270-Y308 HydrophobicContact CZ-CG 3.92Å; V271-Y308 WeakPolarHBondContact O-CA 3.35Å; V271-Y308 WeakPolarHBondContact O-CB 3.32Å; A303-Y308 HydrophobicContact CB-CD1 4.24Å; A303-Y308 HydrophobicContact CB-CG 4.37Å; Y308-Y310 AromaticContact CD2-CD1 3.78Å; Y308-Y310 HydrophobicContact CD2-CD1 3.78Å; Y308-Y310 AromaticContact CD2-CE1 3.85Å; Y308-Y310 HydrophobicContact CD2-CE1 3.85Å; Y308-Y310 HydrophobicContact CE2-CD1 4.08Å; Y308-Y310 AromaticContact CE2-CE1 3.75Å; Y308-Y310 HydrophobicContact CE2-CE1 3.75Å
309	L	98.4	Very high	96.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.7	-174.6	-179.4	75.7	0	0	0	110.1	L143 I240 F241 I254 F257 L258 L269 F270 V271 F352	L143-L309 HydrophobicContact CD1-CD1 3.9Å; I240-L309 WeakPolarHBondContact O-CA 3.37Å; I240-L309 WeakPolarHBondContact O-CD1 3.36Å; F241-L309 HydrophobicContact CB-CD1 3.93Å; I254-L309 HydrophobicContact CG2-CD1 3.99Å; I254-L309 HydrophobicContact CG2-CD2 3.99Å; F257-L309 HydrophobicContact CD1-CD2 3.94Å; F257-L309 HydrophobicContact CE1-CD2 4.01Å; L258-L309 HydrophobicContact CD1-CD1 4.12Å; L258-L309 HydrophobicContact CD1-CD2 4.23Å; L258-L309 HydrophobicContact CD2-CD1 4.4Å; L258-L309 HydrophobicContact CD2-CD2 3.51Å; L258-L309 HydrophobicContact CD2-CG 4.12Å; L258-L309 HydrophobicContact CG-CD2 3.9Å; L269-L309 HydrophobicContact CD2-CD2 4.28Å; L269-L309 HydrophobicContact CD2-CG 4.24Å; F270-L309 CarbonylContact C-O 3.39Å; F270-L309 WeakPolarHBondContact CA-O 3.23Å; V271-L309 HydrophobicContact CG2-CB 3.76Å; V271-L309 HydrophobicContact CG2-CD2 4.07Å; V271-L309 HydrophobicContact CG2-CG 4.35Å; V271-L309 PolarHBondContact N-O 3.18Å; V271-L309 PolarHBondContact O-N 3.1Å; L309-F352 HydrophobicContact CB-CZ 4.15Å
310	Y	98.7	Very high	96.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	167.9	-178.3	57.2	-77.9	0	0	0	112.2	F226 Y239 I240 K242 L269 F270 Y308 A315 L318	F226-Y310 VanDerWaalsContact CE1-OH 3.28Å; F226-Y310 WeakPolarHBondContact CE1-OH 3.41Å; Y239-Y310 CarbonylContact C-O 3.41Å; Y239-Y310 WeakPolarHBondContact CA-O 3.39Å; I240-Y310 HydrophobicContact CB-CD1 4.45Å; I240-Y310 HydrophobicContact CB-CD2 4.3Å; I240-Y310 HydrophobicContact CB-CE1 4.05Å; I240-Y310 HydrophobicContact CB-CE2 3.91Å; I240-Y310 HydrophobicContact CD1-CD2 3.99Å; I240-Y310 HydrophobicContact CD1-CE2 3.51Å; I240-Y310 HydrophobicContact CG1-CE2 4.36Å; I240-Y310 HydrophobicContact CG2-CE1 3.83Å; I240-Y310 HydrophobicContact CG2-CE2 4.15Å; I240-Y310 WeakPolarHBondContact CG2-OH 3.38Å; I240-Y310 PolarHBondContact N-O 3.37Å; I240-Y310 WeakPolarHBondContact O-CD1 3.23Å; I240-Y310 PolarHBondContact O-N 3.04Å; K242-Y310 HydrophobicContact CB-CE1 3.99Å; L269-Y310 CarbonylContact O-C 3.6Å; L269-Y310 WeakPolarHBondContact O-CA 3.44Å; L269-Y310 WeakPolarHBondContact O-CB 3.37Å; F270-Y310 HydrophobicContact CD2-CG 4.29Å; F270-Y310 HydrophobicContact CE2-CD1 4.43Å; F270-Y310 HydrophobicContact CE2-CG 4.41Å; Y308-Y310 AromaticContact CD2-CD1 3.78Å; Y308-Y310 HydrophobicContact CD2-CD1 3.78Å; Y308-Y310 AromaticContact CD2-CE1 3.85Å; Y308-Y310 HydrophobicContact CD2-CE1 3.85Å; Y308-Y310 HydrophobicContact CE2-CD1 4.08Å; Y308-Y310 AromaticContact CE2-CE1 3.75Å; Y308-Y310 HydrophobicContact CE2-CE1 3.75Å; Y310-A315 HydrophobicContact CD2-CB 4.14Å; Y310-A315 HydrophobicContact CE2-CB 3.69Å; Y310-L318 HydrophobicContact CD2-CD1 4.4Å; Y310-L318 HydrophobicContact CE2-CD1 4.48Å
311	S	98.6	Very high	96.2	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	155.6	179.1	68.4	0	0	0	0	112.6	A266 R267 L269 D313 L314 A315	A266-S311 WeakPolarHBondContact O-CB 3.45Å; R267-S311 WeakPolarHBondContact O-CB 3.35Å; R267-S311 PolarHBondContact O-OG 3.2Å; L269-S311 PolarHBondContact O-N 3.5Å; L269-S311 VanDerWaalsContact O-N 3.13Å; S311-D313 VanDerWaalsContact C-N 3.32Å; S311-L314 PolarHBondContact O-N 3.29Å; S311-L314 WeakPolarHBondContact OG-CB 3.39Å; S311-L314 PolarHBondContact OG-N 3.03Å; S311-A315 PolarHBondContact O-N 3.07Å
312	G	97.9	Very high	96.1	Very high	11 Å²	11	21.2 Å²	21.2	11%	0.113	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-40.4	169.5	0	0	0	0	0	113	A237 R238 L314 A315 A316	A237-G312 WeakPolarHBondContact O-CA 3.4Å; R238-G312 PolarHBondContact O-N 2.99Å; G312-L314 VanDerWaalsContact C-N 3.3Å; G312-L314 PolarHBondContact O-N 3.44Å; G312-A315 VanDerWaalsContact O-CB 3.25Å; G312-A315 WeakPolarHBondContact O-CB 3.49Å; G312-A315 PolarHBondContact O-N 2.77Å; G312-A316 PolarHBondContact O-N 3.45Å; G312-A316 VanDerWaalsContact O-N 3.13Å
313	D	97.1	Very high	95.9	Very high	77 Å²	77	23.4 Å²	23.4	41%	0.412	13%	0.131	S	C	.	.	H	α-helix	trans	-54.9	-45.1	174.7	-79.2	-0.4	0	0	0	111.7	R267 S311 A316 R317	R267-D313 WeakPolarHBondContact CG-OD2 3.44Å; R267-D313 IonicContact CZ-OD2 3.25Å; R267-D313 IonicContact NE-OD2 3.85Å; R267-D313 PolarHBondContact NE-OD2 2.98Å; R267-D313 IonicContact NH2-OD2 3.97Å; S311-D313 VanDerWaalsContact C-N 3.32Å; D313-A316 PolarHBondContact O-N 3.32Å; D313-R317 PolarHBondContact O-N 3.41Å
314	L	98.1	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.6	-33.2	178.2	-177	56.7	0	0	0	111.6	L269 F270 S311 G312 A316 R317 L318 L339 L342 L344	L269-L314 WeakPolarHBondContact O-CD2 3.42Å; F270-L314 HydrophobicContact CB-CD2 3.71Å; F270-L314 HydrophobicContact CD2-CD2 3.78Å; F270-L314 HydrophobicContact CG-CD2 4.25Å; S311-L314 PolarHBondContact O-N 3.29Å; S311-L314 WeakPolarHBondContact OG-CB 3.39Å; S311-L314 PolarHBondContact OG-N 3.03Å; G312-L314 VanDerWaalsContact C-N 3.3Å; G312-L314 PolarHBondContact O-N 3.44Å; L314-A316 VanDerWaalsContact C-N 3.31Å; L314-A316 PolarHBondContact O-N 3Å; L314-R317 HydrophobicContact CD1-CB 4.39Å; L314-R317 PolarHBondContact O-N 3.24Å; L314-L318 HydrophobicContact CD1-CG 4.3Å; L314-L318 HydrophobicContact CG-CD1 4.07Å; L314-L318 HydrophobicContact CG-CG 4.2Å; L314-L318 WeakPolarHBondContact O-CB 3.48Å; L314-L318 VanDerWaalsContact O-CG 3.3Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 3.49Å; L314-L339 HydrophobicContact CD1-CD2 4.32Å; L314-L339 HydrophobicContact CD2-CD2 4.05Å; L314-L342 HydrophobicContact CD1-CD1 3.98Å; L314-L344 HydrophobicContact CD1-CD1 3.46Å; L314-L344 VanDerWaalsContact CD1-CD1 3.46Å; L314-L344 HydrophobicContact CD2-CD1 4.49Å
315	A	98.2	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-42.6	174.2	0	0	0	0	0	112.1	L227 I230 I240 Y310 S311 G312 R317 L318 H319	L227-A315 HydrophobicContact CD2-CB 4.42Å; I230-A315 HydrophobicContact CD1-CB 4.42Å; I240-A315 HydrophobicContact CD1-CB 3.42Å; I240-A315 VanDerWaalsContact CD1-CB 3.42Å; Y310-A315 HydrophobicContact CD2-CB 4.14Å; Y310-A315 HydrophobicContact CE2-CB 3.69Å; S311-A315 PolarHBondContact O-N 3.07Å; G312-A315 VanDerWaalsContact O-CB 3.25Å; G312-A315 WeakPolarHBondContact O-CB 3.49Å; G312-A315 PolarHBondContact O-N 2.77Å; A315-R317 PolarHBondContact O-N 3.05Å; A315-L318 PolarHBondContact O-N 3.32Å; A315-H319 PolarHBondContact O-N 3.18Å
316	A	97.3	Very high	97	Very high	34 Å²	34	25.1 Å²	25.1	28%	0.281	13%	0.131	S	C	.	.	H	α-helix	trans	-62.9	-41.7	176.1	0	0	0	0	0	112.4	Q231 G312 D313 L314 H319 N320	Q231-A316 VanDerWaalsContact NE2-CA 3.3Å; Q231-A316 VanDerWaalsContact OE1-CB 3.28Å; G312-A316 PolarHBondContact O-N 3.45Å; G312-A316 VanDerWaalsContact O-N 3.13Å; D313-A316 PolarHBondContact O-N 3.32Å; L314-A316 VanDerWaalsContact C-N 3.31Å; L314-A316 PolarHBondContact O-N 3Å; A316-H319 PolarHBondContact O-N 3.08Å; A316-N320 PolarHBondContact O-N 3.09Å; A316-N320 VanDerWaalsContact O-N 3.11Å
317	R	98.1	Very high	97.5	Very high	86 Å²	86	25.2 Å²	25.2	33%	0.325	13%	0.131	S	C	.	.	H	α-helix	trans	-67.4	-38.5	175.4	-69	170.9	59.1	-167.1	-0.2	112.1	D268 D313 L314 A315 N320 V321 L342	D268-R317 IonicContact OD1-CZ 2.76Å; D268-R317 IonicContact OD1-NH1 3.63Å; D268-R317 PolarHBondContact OD1-NH1 2.92Å; D313-R317 PolarHBondContact O-N 3.41Å; L314-R317 HydrophobicContact CD1-CB 4.39Å; L314-R317 PolarHBondContact O-N 3.24Å; A315-R317 PolarHBondContact O-N 3.05Å; R317-N320 PolarHBondContact O-N 3.33Å; R317-V321 WeakPolarHBondContact O-CB 3.44Å; R317-V321 PolarHBondContact O-N 2.79Å; R317-L342 HydrophobicContact CB-CD1 3.94Å; R317-L342 HydrophobicContact CB-CD2 4.17Å
318	L	98.4	Very high	97.5	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-63.5	-43.8	174.7	-76.5	171.2	0	0	0	111	L227 F270 Y310 L314 A315 N320 V321 S322 C338 L339 L342	L227-L318 HydrophobicContact CD1-CB 4.07Å; L227-L318 HydrophobicContact CD2-CB 4.03Å; F270-L318 HydrophobicContact CD2-CD1 4.39Å; F270-L318 HydrophobicContact CE2-CD1 4.14Å; Y310-L318 HydrophobicContact CD2-CD1 4.4Å; Y310-L318 HydrophobicContact CE2-CD1 4.48Å; L314-L318 HydrophobicContact CD1-CG 4.3Å; L314-L318 HydrophobicContact CG-CD1 4.07Å; L314-L318 HydrophobicContact CG-CG 4.2Å; L314-L318 WeakPolarHBondContact O-CB 3.48Å; L314-L318 VanDerWaalsContact O-CG 3.3Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 3.49Å; A315-L318 PolarHBondContact O-N 3.32Å; L318-N320 PolarHBondContact O-N 3.18Å; L318-V321 WeakPolarHBondContact O-CG1 3.47Å; L318-V321 PolarHBondContact O-N 3.46Å; L318-S322 VanDerWaalsContact O-CB 3.24Å; L318-S322 WeakPolarHBondContact O-CB 3.03Å; L318-S322 PolarHBondContact O-N 3.12Å; L318-C338 HydrophobicContact CD2-CB 3.73Å; L318-L339 HydrophobicContact CD2-CD2 3.97Å; L318-L339 HydrophobicContact CD2-CG 4.23Å; L318-L342 HydrophobicContact CD2-CD1 4.05Å; L318-L342 HydrophobicContact CG-CD1 4.38Å
319	H	97.7	Very high	97.5	Very high	46 Å²	46	24.9 Å²	24.9	21%	0.213	13%	0.129	C	C	.	.	H	α-helix	trans	-55.7	-51.6	173.4	174	-110.6	0	0	0	111.2	L227 Q231 A315 A316 V321 S322	L227-H319 HydrophobicContact CB-CB 4.07Å; Q231-H319 HydrophobicContact CG-CB 4.05Å; A315-H319 PolarHBondContact O-N 3.18Å; A316-H319 PolarHBondContact O-N 3.08Å; H319-V321 PolarHBondContact O-N 2.53Å; H319-S322 WeakPolarHBondContact O-CB 3.29Å; H319-S322 PolarHBondContact O-N 3.28Å; H319-S322 PolarHBondContact O-OG 3.11Å
320	N	96.9	Very high	97.4	Very high	107 Å²	107	25.3 Å²	25.3	57%	0.572	13%	0.131	S	C	*	.	H	α-helix	trans	-63.8	-44.4	-178.9	-171.5	39.7	0	0	0	113.1	A316 R317 L318 S322 Q323 H324	A316-N320 PolarHBondContact O-N 3.09Å; A316-N320 VanDerWaalsContact O-N 3.11Å; R317-N320 PolarHBondContact O-N 3.33Å; L318-N320 PolarHBondContact O-N 3.18Å; N320-S322 VanDerWaalsContact C-N 3.3Å; N320-S322 PolarHBondContact O-N 2.92Å; N320-Q323 PolarHBondContact O-N 3.06Å; N320-H324 PolarHBondContact O-ND1 3.29Å; N320-H324 VanDerWaalsContact O-ND1 3.15Å
321	V	97.3	Very high	97.4	Very high	12 Å²	12	25.5 Å²	25.5	7%	0.073	13%	0.132	C	C	.	.	H	α-helix	trans	-72.1	-25.8	-179.3	82.2	0	0	0	0	112.4	R317 L318 H319 Q323 H324 V325 C338 K341 L342	R317-V321 WeakPolarHBondContact O-CB 3.44Å; R317-V321 PolarHBondContact O-N 2.79Å; L318-V321 WeakPolarHBondContact O-CG1 3.47Å; L318-V321 PolarHBondContact O-N 3.46Å; H319-V321 PolarHBondContact O-N 2.53Å; V321-Q323 PolarHBondContact O-N 3.42Å; V321-H324 CarbonylContact O-C 3.58Å; V321-H324 WeakPolarHBondContact O-CA 2.95Å; V321-H324 WeakPolarHBondContact O-CB 3.13Å; V321-H324 PolarHBondContact O-N 2.89Å; V321-V325 PolarHBondContact O-N 3.04Å; V321-C338 HydrophobicContact CG1-CB 3.69Å; V321-K341 HydrophobicContact CG2-CB 3.63Å; V321-K341 HydrophobicContact CG2-CG 3.48Å; V321-K341 VanDerWaalsContact CG2-CG 3.48Å; V321-L342 HydrophobicContact CB-CD1 4.49Å; V321-L342 HydrophobicContact CB-CD2 3.83Å; V321-L342 HydrophobicContact CB-CG 3.98Å; V321-L342 HydrophobicContact CG1-CD1 3.96Å; V321-L342 HydrophobicContact CG1-CD2 4.21Å; V321-L342 HydrophobicContact CG1-CG 3.84Å; V321-L342 HydrophobicContact CG2-CD2 4.06Å; V321-L342 HydrophobicContact CG2-CG 4.09Å
322	S	96.9	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.6	-30	178.9	77.5	0	0	0	0	111.9	R125 L318 H319 N320 H324 V325 Y334	R125-S322 PolarHBondContact NH1-O 2.86Å; L318-S322 VanDerWaalsContact O-CB 3.24Å; L318-S322 WeakPolarHBondContact O-CB 3.03Å; L318-S322 PolarHBondContact O-N 3.12Å; H319-S322 WeakPolarHBondContact O-CB 3.29Å; H319-S322 PolarHBondContact O-N 3.28Å; H319-S322 PolarHBondContact O-OG 3.11Å; N320-S322 VanDerWaalsContact C-N 3.3Å; N320-S322 PolarHBondContact O-N 2.92Å; S322-H324 PolarHBondContact O-N 2.86Å; S322-H324 VanDerWaalsContact O-N 3.15Å; S322-V325 PolarHBondContact O-N 3.02Å; S322-Y334 WeakPolarHBondContact CB-OH 3.42Å; S322-Y334 PolarHBondContact O-OH 3.41Å
323	Q	94	Very high	97.3	Very high	75 Å²	75	25.7 Å²	25.7	35%	0.35	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.1	174.4	-56.2	-53.5	-25.7	0	0	113.6	N320 V321	N320-Q323 PolarHBondContact O-N 3.06Å; V321-Q323 PolarHBondContact O-N 3.42Å
324	H	95.3	Very high	97.4	Very high	56 Å²	56	22 Å²	22	26%	0.259	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	11.5	-176.8	-53.8	88.8	0	0	0	112.9	Q61 M64 H68 N320 V321 S322	Q61-H324 PolarHBondContact NE2-O 3.09Å; M64-H324 VanDerWaalsContact SD-O 3.4Å; H68-H324 AromaticContact CD2-CD2 3.54Å; H68-H324 AromaticContact CD2-NE2 3.64Å; H68-H324 AromaticContact CG-CD2 3.56Å; N320-H324 PolarHBondContact O-ND1 3.29Å; N320-H324 VanDerWaalsContact O-ND1 3.15Å; V321-H324 CarbonylContact O-C 3.58Å; V321-H324 WeakPolarHBondContact O-CA 2.95Å; V321-H324 WeakPolarHBondContact O-CB 3.13Å; V321-H324 PolarHBondContact O-N 2.89Å; S322-H324 PolarHBondContact O-N 2.86Å; S322-H324 VanDerWaalsContact O-N 3.15Å
325	V	97.4	Very high	97.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	-124.9	125	174.7	-176.5	0	0	0	0	108.9	M64 R125 V321 S322 Y334 M337 K341	M64-V325 PolarHBondContact SD-N 3.18Å; M64-V325 VanDerWaalsContact SD-N 3.45Å; R125-V325 PolarHBondContact NH2-O 3Å; V321-V325 PolarHBondContact O-N 3.04Å; S322-V325 PolarHBondContact O-N 3.02Å; V325-Y334 HydrophobicContact CB-CE2 3.98Å; V325-Y334 HydrophobicContact CG1-CD2 3.97Å; V325-Y334 HydrophobicContact CG1-CE2 3.67Å; V325-M337 HydrophobicContact CG1-CB 3.9Å; V325-K341 HydrophobicContact CG2-CB 4.2Å; V325-K341 HydrophobicContact CG2-CG 4.27Å
326	V	96.9	Very high	97.4	Very high	10 Å²	10	22.2 Å²	22.2	6%	0.061	11%	0.112	C	C	.	.			trans	-65.3	135.1	177.2	177.9	0	0	0	0	109.4	W57 Q60 Q61 M64 M122 Y328	W57-V326 HydrophobicContact CZ2-CB 4.27Å; W57-V326 PolarHBondContact NE1-O 3.09Å; Q60-V326 HydrophobicContact CB-CG1 4.28Å; Q60-V326 HydrophobicContact CB-CG2 4.09Å; Q61-V326 HydrophobicContact CB-CG2 4.26Å; M64-V326 HydrophobicContact CB-CG2 4.27Å; M64-V326 HydrophobicContact CE-CG2 3.64Å; M64-V326 HydrophobicContact SD-CG2 3.71Å; M122-V326 HydrophobicContact CE-CG1 3.13Å; V326-Y328 PolarHBondContact O-N 3.18Å
327	L	97.9	Very high	97.4	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.1	C	C	.	.			trans	-52.9	143.7	179.6	-57	-176.3	0	0	0	110.4	W57 F118 M122 R125 T220 V221 L224 Y334	W57-L327 PolarHBondContact NE1-O 3.33Å; F118-L327 HydrophobicContact CZ-CB 4.19Å; F118-L327 WeakPolarHBondContact CZ-O 3.49Å; M122-L327 WeakPolarHBondContact O-CD1 3.29Å; R125-L327 HydrophobicContact CG-CD1 4.45Å; T220-L327 HydrophobicContact CG2-CB 4.2Å; T220-L327 HydrophobicContact CG2-CD2 3.92Å; V221-L327 HydrophobicContact CG2-CD1 3.91Å; L224-L327 HydrophobicContact CD1-CD2 3.95Å; L327-Y334 HydrophobicContact CD2-CE2 4.14Å
328	Y	98.1	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.			trans	-125.2	146.8	-180	-162.8	-106.3	0	0	0	110.3	W57 T220 Y295 Y299 V326 I330 V333 M337	W57-Y328 AromaticContact CD1-CD2 3.86Å; W57-Y328 HydrophobicContact CD2-CD2 4.16Å; W57-Y328 HydrophobicContact CD2-CE2 4.46Å; W57-Y328 AromaticContact CE2-CD2 3.81Å; W57-Y328 HydrophobicContact CG-CD2 4.21Å; W57-Y328 HydrophobicContact CG-CE2 4.45Å; W57-Y328 HydrophobicContact CZ2-CD2 4.36Å; W57-Y328 AromaticContact NE1-CD2 3.61Å; T220-Y328 VanDerWaalsContact CB-O 3.25Å; T220-Y328 WeakPolarHBondContact CB-O 3.34Å; T220-Y328 PolarHBondContact OG1-O 3Å; Y295-Y328 HydrophobicContact CD1-CE2 4.38Å; Y295-Y328 WeakPolarHBondContact CD1-OH 3.08Å; Y295-Y328 AromaticContact CD2-CE2 3.78Å; Y295-Y328 HydrophobicContact CD2-CE2 3.78Å; Y295-Y328 HydrophobicContact CE2-CE2 4.41Å; Y295-Y328 AromaticContact CG-CE2 3.76Å; Y295-Y328 HydrophobicContact CG-CE2 3.76Å; Y299-Y328 AromaticContact CE1-CE1 3.91Å; Y299-Y328 HydrophobicContact CE1-CE1 3.91Å; Y299-Y328 AromaticContact CE1-CZ 3.77Å; Y299-Y328 VanDerWaalsContact CE1-OH 3.23Å; Y299-Y328 WeakPolarHBondContact CE1-OH 3.33Å; Y299-Y328 PolarHBondContact OH-OH 3.48Å; V326-Y328 PolarHBondContact O-N 3.18Å; Y328-I330 HydrophobicContact CD1-CB 4.1Å; Y328-I330 HydrophobicContact CD1-CG1 4.46Å; Y328-I330 HydrophobicContact CE1-CB 4.24Å; Y328-I330 HydrophobicContact CE1-CD1 4.24Å; Y328-I330 HydrophobicContact CE1-CG1 4.22Å; Y328-I330 PolarHBondContact O-N 3.05Å; Y328-V333 HydrophobicContact CD1-CB 3.99Å; Y328-V333 HydrophobicContact CD1-CG1 3.76Å; Y328-V333 HydrophobicContact CE1-CB 4.18Å; Y328-V333 HydrophobicContact CE1-CG1 3.76Å; Y328-M337 HydrophobicContact CD1-CE 4.27Å; Y328-M337 HydrophobicContact CD2-CE 3.87Å; Y328-M337 HydrophobicContact CD2-SD 4.4Å; Y328-M337 HydrophobicContact CE1-CE 4.43Å; Y328-M337 HydrophobicContact CE2-CE 4.04Å; Y328-M337 HydrophobicContact CG-CE 4Å; Y328-M337 HydrophobicContact CG-SD 4.27Å
329	P	97.4	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-66.1	-9.2	-175.8	-26.5	36.8	0	0	0	116.6	F118 F217 I290 M294	F118-P329 HydrophobicContact CD1-CG 4.03Å; F118-P329 HydrophobicContact CD2-CG 4.29Å; F118-P329 HydrophobicContact CE1-CG 3.8Å; F118-P329 HydrophobicContact CE2-CB 4.41Å; F118-P329 HydrophobicContact CE2-CG 4.05Å; F118-P329 HydrophobicContact CG-CG 4.27Å; F118-P329 HydrophobicContact CZ-CG 3.8Å; F217-P329 HydrophobicContact CB-CB 4.35Å; F217-P329 HydrophobicContact CD1-CB 3.62Å; F217-P329 WeakPolarHBondContact CD1-O 3.47Å; F217-P329 HydrophobicContact CD2-CB 3.9Å; F217-P329 HydrophobicContact CD2-CG 4.43Å; F217-P329 HydrophobicContact CE1-CB 3.75Å; F217-P329 HydrophobicContact CE2-CB 4.01Å; F217-P329 HydrophobicContact CE2-CG 4.44Å; F217-P329 HydrophobicContact CG-CB 3.72Å; F217-P329 HydrophobicContact CZ-CB 3.94Å; I290-P329 HydrophobicContact CD1-CB 3.97Å; I290-P329 HydrophobicContact CD1-CG 4Å; M294-P329 HydrophobicContact CE-CG 3.25Å; M294-P329 HydrophobicContact SD-CG 3.91Å
330	I	97.7	Very high	97.5	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.041	10%	0.097	C	C	.	.	S	Bend	trans	-122.7	114.1	-178.4	-52.1	174.6	0	0	0	106.9	Y288 I290 Y328 V333 Y334	Y288-I330 HydrophobicContact CD1-CD1 4.25Å; Y288-I330 HydrophobicContact CD1-CG2 4.35Å; I290-I330 HydrophobicContact CD1-CD1 4.23Å; I290-I330 HydrophobicContact CD1-CG1 4.39Å; I290-I330 HydrophobicContact CG1-CD1 4.1Å; Y328-I330 HydrophobicContact CD1-CB 4.1Å; Y328-I330 HydrophobicContact CD1-CG1 4.46Å; Y328-I330 HydrophobicContact CE1-CB 4.24Å; Y328-I330 HydrophobicContact CE1-CD1 4.24Å; Y328-I330 HydrophobicContact CE1-CG1 4.22Å; Y328-I330 PolarHBondContact O-N 3.05Å; I330-V333 HydrophobicContact CB-CB 4.1Å; I330-V333 HydrophobicContact CB-CG2 4.03Å; I330-V333 HydrophobicContact CD1-CG2 4.48Å; I330-V333 HydrophobicContact CG2-CB 4.22Å; I330-V333 HydrophobicContact CG2-CG2 3.78Å; I330-V333 PolarHBondContact O-N 2.95Å; I330-Y334 PolarHBondContact O-N 3.42Å
331	D	97.4	Very high	97.5	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.027	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-46.8	-172.4	62.4	-34.4	0	0	0	112.4	K148 L219 T220 K242 V333 Y334 T335	K148-D331 IonicContact NZ-OD2 3.73Å; K148-D331 PolarHBondContact NZ-OD2 3.3Å; L219-D331 HydrophobicContact CB-CB 3.75Å; T220-D331 VanDerWaalsContact OG1-CA 3.3Å; T220-D331 WeakPolarHBondContact OG1-CA 3.45Å; T220-D331 PolarHBondContact OG1-N 3.08Å; K242-D331 IonicContact NZ-OD2 2.9Å; D331-V333 VanDerWaalsContact C-N 3.28Å; D331-V333 PolarHBondContact O-N 2.56Å; D331-Y334 WeakPolarHBondContact O-CB 3.44Å; D331-Y334 PolarHBondContact O-N 2.87Å; D331-Y334 VanDerWaalsContact O-N 3.09Å; D331-T335 PolarHBondContact O-N 3.17Å; D331-T335 PolarHBondContact O-OG1 3.1Å
332	D	97.3	Very high	97.4	Very high	17 Å²	17	21.3 Å²	21.3	9%	0.091	10%	0.097	C	C	.	.	H	α-helix	trans	-59.5	-40.6	179.2	-65.1	-20.9	0	0	0	111.8	Y302 A303 G304 G305 T335 G336	Y302-D332 WeakPolarHBondContact CB-O 3.43Å; Y302-D332 HydrophobicContact CD2-CB 3.82Å; Y302-D332 HydrophobicContact CE2-CB 4.22Å; A303-D332 WeakPolarHBondContact O-CB 3.27Å; G304-D332 VanDerWaalsContact CA-CG 3.49Å; G304-D332 WeakPolarHBondContact CA-OD2 3.3Å; G305-D332 PolarHBondContact N-OD2 2.89Å; D332-T335 PolarHBondContact O-N 2.97Å; D332-G336 PolarHBondContact O-N 3.22Å
333	V	98	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.1	-40.6	176.6	175	0	0	0	0	110.8	Y299 Y302 Y328 I330 D331 G336 M337	Y299-V333 HydrophobicContact CD1-CG1 3.64Å; Y299-V333 HydrophobicContact CD2-CG1 4.27Å; Y299-V333 HydrophobicContact CD2-CG2 3.88Å; Y299-V333 HydrophobicContact CE1-CG1 3.84Å; Y299-V333 HydrophobicContact CE2-CG1 4.43Å; Y299-V333 HydrophobicContact CE2-CG2 3.88Å; Y299-V333 HydrophobicContact CG-CG1 3.87Å; Y299-V333 HydrophobicContact CG-CG2 4.29Å; Y302-V333 HydrophobicContact CD1-CG2 4.15Å; Y302-V333 HydrophobicContact CD2-CG2 4.32Å; Y302-V333 HydrophobicContact CE1-CG2 3.94Å; Y302-V333 HydrophobicContact CE2-CG2 4.09Å; Y302-V333 HydrophobicContact CG-CG2 4.34Å; Y328-V333 HydrophobicContact CD1-CB 3.99Å; Y328-V333 HydrophobicContact CD1-CG1 3.76Å; Y328-V333 HydrophobicContact CE1-CB 4.18Å; Y328-V333 HydrophobicContact CE1-CG1 3.76Å; I330-V333 HydrophobicContact CB-CB 4.1Å; I330-V333 HydrophobicContact CB-CG2 4.03Å; I330-V333 HydrophobicContact CD1-CG2 4.48Å; I330-V333 HydrophobicContact CG2-CB 4.22Å; I330-V333 HydrophobicContact CG2-CG2 3.78Å; I330-V333 PolarHBondContact O-N 2.95Å; D331-V333 VanDerWaalsContact C-N 3.28Å; D331-V333 PolarHBondContact O-N 2.56Å; V333-G336 CarbonylContact O-C 3.57Å; V333-G336 PolarHBondContact O-N 3.23Å; V333-M337 HydrophobicContact CG1-CE 3.68Å; V333-M337 HydrophobicContact CG1-SD 4.48Å; V333-M337 WeakPolarHBondContact O-CG 3.33Å; V333-M337 PolarHBondContact O-N 2.95Å
334	Y	98.4	Very high	97.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-45.4	175.1	175.4	-99.5	0	0	0	111.9	T220 S322 V325 L327 I330 D331 G336 M337 C338	T220-Y334 HydrophobicContact CG2-CD1 3.5Å; T220-Y334 HydrophobicContact CG2-CD2 3.64Å; T220-Y334 HydrophobicContact CG2-CE1 3.91Å; T220-Y334 HydrophobicContact CG2-CE2 4.04Å; T220-Y334 HydrophobicContact CG2-CG 3.32Å; S322-Y334 WeakPolarHBondContact CB-OH 3.42Å; S322-Y334 PolarHBondContact O-OH 3.41Å; V325-Y334 HydrophobicContact CB-CE2 3.98Å; V325-Y334 HydrophobicContact CG1-CD2 3.97Å; V325-Y334 HydrophobicContact CG1-CE2 3.67Å; L327-Y334 HydrophobicContact CD2-CE2 4.14Å; I330-Y334 PolarHBondContact O-N 3.42Å; D331-Y334 WeakPolarHBondContact O-CB 3.44Å; D331-Y334 PolarHBondContact O-N 2.87Å; D331-Y334 VanDerWaalsContact O-N 3.09Å; Y334-G336 VanDerWaalsContact C-N 3.29Å; Y334-G336 PolarHBondContact O-N 3.36Å; Y334-M337 WeakPolarHBondContact O-CA 3.17Å; Y334-M337 WeakPolarHBondContact O-CB 3.48Å; Y334-M337 PolarHBondContact O-N 3.2Å; Y334-C338 PolarHBondContact O-N 2.94Å; Y334-C338 PolarHBondContact O-SG 3.14Å; Y334-C338 VanDerWaalsContact O-SG 3.36Å
335	T	98.4	Very high	97.6	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-38.9	175.9	-58	0	0	0	0	110.8	E223 F270 D331 D332 M337 C338 L339	E223-T335 PolarHBondContact OE1-OG1 3.12Å; F270-T335 HydrophobicContact CE2-CG2 3.71Å; F270-T335 HydrophobicContact CZ-CG2 3.67Å; D331-T335 PolarHBondContact O-N 3.17Å; D331-T335 PolarHBondContact O-OG1 3.1Å; D332-T335 PolarHBondContact O-N 2.97Å; T335-M337 PolarHBondContact O-N 3.39Å; T335-C338 WeakPolarHBondContact O-CB 3.43Å; T335-C338 PolarHBondContact O-N 2.85Å; T335-L339 WeakPolarHBondContact O-CG 3.43Å; T335-L339 PolarHBondContact O-N 3.38Å
336	G	98.3	Very high	97.6	Very high	1 Å²	1	24 Å²	24	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-37.8	170.1	0	0	0	0	0	114.1	P300 D332 V333 Y334 L339 R340	P300-G336 VanDerWaalsContact CG-C 3.45Å; D332-G336 PolarHBondContact O-N 3.22Å; V333-G336 CarbonylContact O-C 3.57Å; V333-G336 PolarHBondContact O-N 3.23Å; Y334-G336 VanDerWaalsContact C-N 3.29Å; Y334-G336 PolarHBondContact O-N 3.36Å; G336-L339 PolarHBondContact O-N 2.83Å; G336-R340 PolarHBondContact O-N 3.44Å
337	M	98.5	Very high	97.6	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-39.7	173.9	-68.7	172.4	178.7	0	0	111.7	W57 Y295 P300 V325 Y328 V333 Y334 T335 R340 K341	W57-M337 HydrophobicContact CH2-CE 3.92Å; W57-M337 HydrophobicContact CH2-SD 3.49Å; W57-M337 WeakPolarHBondContact CH2-SD 3.39Å; W57-M337 HydrophobicContact CZ2-CE 4.09Å; W57-M337 HydrophobicContact CZ2-SD 3.42Å; W57-M337 WeakPolarHBondContact CZ2-SD 3.48Å; W57-M337 HydrophobicContact CZ3-CE 4.39Å; W57-M337 HydrophobicContact CZ3-SD 4.49Å; Y295-M337 HydrophobicContact CE2-CE 3.96Å; P300-M337 HydrophobicContact CG-CB 4.46Å; P300-M337 HydrophobicContact CG-CG 3.86Å; V325-M337 HydrophobicContact CG1-CB 3.9Å; Y328-M337 HydrophobicContact CD1-CE 4.27Å; Y328-M337 HydrophobicContact CD2-CE 3.87Å; Y328-M337 HydrophobicContact CD2-SD 4.4Å; Y328-M337 HydrophobicContact CE1-CE 4.43Å; Y328-M337 HydrophobicContact CE2-CE 4.04Å; Y328-M337 HydrophobicContact CG-CE 4Å; Y328-M337 HydrophobicContact CG-SD 4.27Å; V333-M337 HydrophobicContact CG1-CE 3.68Å; V333-M337 HydrophobicContact CG1-SD 4.48Å; V333-M337 WeakPolarHBondContact O-CG 3.33Å; V333-M337 PolarHBondContact O-N 2.95Å; Y334-M337 WeakPolarHBondContact O-CA 3.17Å; Y334-M337 WeakPolarHBondContact O-CB 3.48Å; Y334-M337 PolarHBondContact O-N 3.2Å; T335-M337 PolarHBondContact O-N 3.39Å; M337-R340 PolarHBondContact O-N 3.03Å; M337-K341 WeakPolarHBondContact O-CB 3.38Å; M337-K341 PolarHBondContact O-N 3.32Å
338	C	98.6	Very high	97.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-46.6	173.9	-66.3	0	0	0	0	111.7	L318 V321 Y334 T335 R340 K341 L342	L318-C338 HydrophobicContact CD2-CB 3.73Å; V321-C338 HydrophobicContact CG1-CB 3.69Å; Y334-C338 PolarHBondContact O-N 2.94Å; Y334-C338 PolarHBondContact O-SG 3.14Å; Y334-C338 VanDerWaalsContact O-SG 3.36Å; T335-C338 WeakPolarHBondContact O-CB 3.43Å; T335-C338 PolarHBondContact O-N 2.85Å; C338-R340 PolarHBondContact O-N 2.59Å; C338-K341 WeakPolarHBondContact O-CB 3.44Å; C338-K341 PolarHBondContact O-N 3.27Å; C338-K341 VanDerWaalsContact O-N 3.14Å; C338-L342 PolarHBondContact O-N 3.34Å
339	L	98.4	Very high	97.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-46.8	175.6	-71.1	172.1	0	0	0	111.8	F270 L314 L318 T335 G336 K341 L342 G343 L344 P346	F270-L339 HydrophobicContact CD1-CD1 3.96Å; F270-L339 HydrophobicContact CD2-CD1 3.75Å; F270-L339 HydrophobicContact CD2-CD2 3.76Å; F270-L339 HydrophobicContact CD2-CG 4.24Å; F270-L339 HydrophobicContact CE1-CD1 3.97Å; F270-L339 HydrophobicContact CE2-CD1 3.77Å; F270-L339 HydrophobicContact CE2-CD2 4.23Å; F270-L339 HydrophobicContact CE2-CG 4.31Å; F270-L339 HydrophobicContact CG-CD1 3.83Å; F270-L339 HydrophobicContact CG-CD2 4.25Å; F270-L339 HydrophobicContact CZ-CD1 3.88Å; L314-L339 HydrophobicContact CD1-CD2 4.32Å; L314-L339 HydrophobicContact CD2-CD2 4.05Å; L318-L339 HydrophobicContact CD2-CD2 3.97Å; L318-L339 HydrophobicContact CD2-CG 4.23Å; T335-L339 WeakPolarHBondContact O-CG 3.43Å; T335-L339 PolarHBondContact O-N 3.38Å; G336-L339 PolarHBondContact O-N 2.83Å; L339-K341 VanDerWaalsContact C-N 3.26Å; L339-K341 PolarHBondContact O-N 3.04Å; L339-L342 CarbonylContact O-C 3.48Å; L339-L342 WeakPolarHBondContact O-CA 3.45Å; L339-L342 WeakPolarHBondContact O-CB 3.37Å; L339-L342 PolarHBondContact O-N 3.22Å; L339-G343 PolarHBondContact O-N 3.09Å; L339-L344 CarbonylContact C-O 3.24Å; L339-L344 VanDerWaalsContact C-O 3.24Å; L339-L344 HydrophobicContact CD2-CB 4.3Å; L339-L344 PolarHBondContact O-N 3.15Å; L339-L344 VanDerWaalsContact O-O 3.08Å; L339-P346 HydrophobicContact CD1-CB 4.03Å; L339-P346 HydrophobicContact CD1-CG 4.15Å
340	R	97.9	Very high	97.4	Very high	122 Å²	122	45 Å²	45	46%	0.46	23%	0.234	S	C	.	.	H	α-helix	trans	-58	-41.1	176	-179.3	-179.7	61.5	-167.4	1.5	111.5	P300 G336 M337 C338 L342 G343	P300-R340 HydrophobicContact CB-CB 4Å; G336-R340 PolarHBondContact O-N 3.44Å; M337-R340 PolarHBondContact O-N 3.03Å; C338-R340 PolarHBondContact O-N 2.59Å; R340-L342 VanDerWaalsContact C-N 3.26Å; R340-L342 PolarHBondContact O-N 3.11Å; R340-G343 PolarHBondContact O-N 3.15Å
341	K	96.4	Very high	97.4	Very high	96 Å²	96	44.8 Å²	44.8	42%	0.417	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-30.4	178.7	-163.8	76.9	177.2	-178.2	0	112	D65 V321 V325 M337 C338 L339 G343	D65-K341 IonicContact OD1-NZ 2.59Å; D65-K341 PolarHBondContact OD1-NZ 3.32Å; D65-K341 IonicContact OD2-NZ 3.52Å; V321-K341 HydrophobicContact CG2-CB 3.63Å; V321-K341 HydrophobicContact CG2-CG 3.48Å; V321-K341 VanDerWaalsContact CG2-CG 3.48Å; V325-K341 HydrophobicContact CG2-CB 4.2Å; V325-K341 HydrophobicContact CG2-CG 4.27Å; M337-K341 WeakPolarHBondContact O-CB 3.38Å; M337-K341 PolarHBondContact O-N 3.32Å; C338-K341 WeakPolarHBondContact O-CB 3.44Å; C338-K341 PolarHBondContact O-N 3.27Å; C338-K341 VanDerWaalsContact O-N 3.14Å; L339-K341 VanDerWaalsContact C-N 3.26Å; L339-K341 PolarHBondContact O-N 3.04Å; K341-G343 VanDerWaalsContact C-N 3.26Å; K341-G343 PolarHBondContact O-N 3.46Å
342	L	96.8	Very high	97.4	Very high	43 Å²	43	44.7 Å²	44.7	23%	0.225	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.5	171.2	-69.1	172.3	0	0	0	114.2	L314 R317 L318 V321 C338 L339 R340 L344	L314-L342 HydrophobicContact CD1-CD1 3.98Å; R317-L342 HydrophobicContact CB-CD1 3.94Å; R317-L342 HydrophobicContact CB-CD2 4.17Å; L318-L342 HydrophobicContact CD2-CD1 4.05Å; L318-L342 HydrophobicContact CG-CD1 4.38Å; V321-L342 HydrophobicContact CB-CD1 4.49Å; V321-L342 HydrophobicContact CB-CD2 3.83Å; V321-L342 HydrophobicContact CB-CG 3.98Å; V321-L342 HydrophobicContact CG1-CD1 3.96Å; V321-L342 HydrophobicContact CG1-CD2 4.21Å; V321-L342 HydrophobicContact CG1-CG 3.84Å; V321-L342 HydrophobicContact CG2-CD2 4.06Å; V321-L342 HydrophobicContact CG2-CG 4.09Å; C338-L342 PolarHBondContact O-N 3.34Å; L339-L342 CarbonylContact O-C 3.48Å; L339-L342 WeakPolarHBondContact O-CA 3.45Å; L339-L342 WeakPolarHBondContact O-CB 3.37Å; L339-L342 PolarHBondContact O-N 3.22Å; R340-L342 VanDerWaalsContact C-N 3.26Å; R340-L342 PolarHBondContact O-N 3.11Å; L342-L344 VanDerWaalsContact C-N 3.26Å; L342-L344 HydrophobicContact CB-CD1 4.25Å; L342-L344 HydrophobicContact CB-CG 4.19Å; L342-L344 PolarHBondContact O-N 3.39Å
343	G	96.9	Very high	97.4	Very high	69 Å²	69	49.2 Å²	49.2	71%	0.711	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	19.9	-172.8	0	0	0	0	0	113.7	L339 R340 K341	L339-G343 PolarHBondContact O-N 3.09Å; R340-G343 PolarHBondContact O-N 3.15Å; K341-G343 VanDerWaalsContact C-N 3.26Å; K341-G343 PolarHBondContact O-N 3.46Å
344	L	96.9	Very high	97.1	Very high	44 Å²	44	49.5 Å²	49.5	23%	0.23	25%	0.25	C	S	.	.			trans	-109.1	159.8	-179.9	-63.1	178.1	0	0	0	111.3	L314 L339 L342	L314-L344 HydrophobicContact CD1-CD1 3.46Å; L314-L344 VanDerWaalsContact CD1-CD1 3.46Å; L314-L344 HydrophobicContact CD2-CD1 4.49Å; L339-L344 CarbonylContact C-O 3.24Å; L339-L344 VanDerWaalsContact C-O 3.24Å; L339-L344 HydrophobicContact CD2-CB 4.3Å; L339-L344 PolarHBondContact O-N 3.15Å; L339-L344 VanDerWaalsContact O-O 3.08Å; L342-L344 VanDerWaalsContact C-N 3.26Å; L342-L344 HydrophobicContact CB-CD1 4.25Å; L342-L344 HydrophobicContact CB-CG 4.19Å; L342-L344 PolarHBondContact O-N 3.39Å
345	A	95.7	Very high	96.8	Very high	66 Å²	66	57.9 Å²	57.9	55%	0.545	29%	0.287	S	S	.	.			trans	-134.3	142.1	169.8	0	0	0	0	0	109.4
346	P	97.5	Very high	96.5	Very high	11 Å²	11	59.4 Å²	59.4	7%	0.071	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69.6	146.2	176.2	32	-36.2	0	0	0	111	F270 V274 P301 L339	F270-P346 HydrophobicContact CD1-CB 3.41Å; F270-P346 VanDerWaalsContact CD1-CB 3.41Å; F270-P346 HydrophobicContact CE1-CB 3.92Å; F270-P346 HydrophobicContact CG-CB 4.23Å; V274-P346 HydrophobicContact CG1-CG 3.91Å; V274-P346 HydrophobicContact CG2-CB 3.73Å; V274-P346 HydrophobicContact CG2-CG 3.85Å; P301-P346 HydrophobicContact CB-CG 4.32Å; P301-P346 WeakPolarHBondContact O-CD 3.33Å; L339-P346 HydrophobicContact CD1-CB 4.03Å; L339-P346 HydrophobicContact CD1-CG 4.15Å
347	E	97.4	Very high	96.3	Very high	100 Å²	100	60.5 Å²	60.5	47%	0.467	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.6	176.5	-62.1	-177.6	-174.7	0	0	111.5	K265 F270 V271 G272 V274	K265-E347 IonicContact NZ-OE2 2.7Å; F270-E347 PolarHBondContact O-N 3.41Å; V271-E347 WeakPolarHBondContact CA-O 3.2Å; V271-E347 HydrophobicContact CG1-CB 4.16Å; G272-E347 PolarHBondContact N-O 3.22Å; V274-E347 VanDerWaalsContact CG2-C 3.48Å; V274-E347 WeakPolarHBondContact CG2-O 3.36Å
348	K	97.4	Very high	96	Very high	140 Å²	140	66 Å²	66	61%	0.609	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.6	176.4	-172.2	164.1	-171.8	143.7	0	111.1	G272 D273 V274	G272-K348 WeakPolarHBondContact O-CA 3.46Å; D273-K348 VanDerWaalsContact OD1-CE 3.32Å; D273-K348 WeakPolarHBondContact OD1-CE 3.49Å; D273-K348 IonicContact OD1-NZ 3Å; D273-K348 PolarHBondContact OD1-NZ 2.92Å; V274-K348 HydrophobicContact CB-CB 4.02Å; V274-K348 HydrophobicContact CG2-CB 4.34Å; V274-K348 PolarHBondContact O-NZ 3.25Å
349	H	96.9	Very high	95.7	Very high	45 Å²	45	72.8 Å²	72.8	21%	0.208	36%	0.358	C	S	.	.			trans	-124.3	121.1	173.1	-170.8	-80	0	0	0	111.8	V271 G272 G351 F352 M372	V271-H349 HydrophobicContact CB-CB 4.39Å; G272-H349 PolarHBondContact O-N 2.95Å; H349-G351 PolarHBondContact ND1-N 2.9Å; H349-G351 PolarHBondContact O-N 3.21Å; H349-F352 HydrophobicContact CB-CD2 3.93Å; H349-F352 HydrophobicContact CB-CE2 4.19Å; H349-F352 PolarHBondContact O-N 2.65Å; H349-F352 VanDerWaalsContact O-N 3.07Å; H349-M372 WeakPolarHBondContact CE1-CE 3.41Å; H349-M372 PolarHBondContact CE1-SD 2.89Å; H349-M372 PolarHBondContact ND1-SD 3.45Å
350	K	95.4	Very high	95.4	Very high	167 Å²	167	79.4 Å²	79.4	73%	0.726	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.1	-174.2	-64.2	-175.4	179.8	179.6	0	114.6	F352 R353	K350-F352 VanDerWaalsContact C-N 3.26Å; K350-F352 PolarHBondContact O-N 3.34Å; K350-R353 VanDerWaalsContact O-CZ 3.29Å; K350-R353 PolarHBondContact O-NE 3.18Å
351	G	96.4	Very high	95.1	Very high	4 Å²	4	78.3 Å²	78.3	4%	0.041	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.7	175.9	0	0	0	0	0	114.3	H349 M372 L373	H349-G351 PolarHBondContact ND1-N 2.9Å; H349-G351 PolarHBondContact O-N 3.21Å; G351-M372 PolarHBondContact O-N 3Å; G351-L373 PolarHBondContact O-N 2.9Å; G351-L373 VanDerWaalsContact O-N 3.12Å
352	F	97.8	Very high	94.9	Very high	2 Å²	2	77.7 Å²	77.7	1%	0.009	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	113.3	173.3	-70.5	-102.3	0	0	0	109.1	F241 V271 D273 G307 L309 H349 K350 M372 L373	F241-F352 HydrophobicContact CE2-CE1 4.27Å; V271-F352 HydrophobicContact CG2-CE2 4.21Å; V271-F352 HydrophobicContact CG2-CZ 4.47Å; D273-F352 HydrophobicContact CB-CB 3.97Å; G307-F352 VanDerWaalsContact O-CD1 3.29Å; G307-F352 WeakPolarHBondContact O-CD1 3.38Å; G307-F352 WeakPolarHBondContact O-CE1 3.47Å; L309-F352 HydrophobicContact CB-CZ 4.15Å; H349-F352 HydrophobicContact CB-CD2 3.93Å; H349-F352 HydrophobicContact CB-CE2 4.19Å; H349-F352 PolarHBondContact O-N 2.65Å; H349-F352 VanDerWaalsContact O-N 3.07Å; K350-F352 VanDerWaalsContact C-N 3.26Å; K350-F352 PolarHBondContact O-N 3.34Å; F352-M372 HydrophobicContact CD2-CB 4.32Å; F352-M372 HydrophobicContact CD2-SD 3.98Å; F352-M372 HydrophobicContact CE2-CB 4.15Å; F352-M372 HydrophobicContact CE2-CG 4.47Å; F352-M372 HydrophobicContact CE2-SD 3.39Å; F352-M372 WeakPolarHBondContact CE2-SD 3.23Å; F352-M372 HydrophobicContact CZ-CB 4.42Å; F352-M372 HydrophobicContact CZ-SD 4.15Å; F352-L373 HydrophobicContact CD1-CB 3.87Å; F352-L373 HydrophobicContact CD1-CD1 4.45Å; F352-L373 HydrophobicContact CE1-CB 4.32Å
353	R	96.4	Very high	94.6	Very high	112 Å²	112	80.5 Å²	80.5	42%	0.423	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	87.1	-178.8	-62.7	-60.1	-171	-173	4.3	110.5	K350 I357 L371 L373 V374 H375	K350-R353 VanDerWaalsContact O-CZ 3.29Å; K350-R353 PolarHBondContact O-NE 3.18Å; R353-I357 HydrophobicContact CB-CG2 4.44Å; R353-I357 HydrophobicContact CG-CG2 4.33Å; R353-L371 HydrophobicContact CG-CD1 4Å; R353-L371 HydrophobicContact CG-CD2 3.62Å; R353-L371 HydrophobicContact CG-CG 4.36Å; R353-L373 PolarHBondContact N-O 2.97Å; R353-V374 HydrophobicContact CB-CB 4.39Å; R353-V374 HydrophobicContact CB-CG2 4.23Å; R353-V374 CarbonylContact O-C 3.56Å; R353-V374 VanDerWaalsContact O-CA 3.27Å; R353-V374 WeakPolarHBondContact O-CA 3.38Å; R353-H375 PolarHBondContact O-N 3.3Å
354	T	93.6	Very high	94.4	Very high	6 Å²	6	80.5 Å²	80.5	4%	0.037	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-19.7	-173.5	57.6	0	0	0	0	113.4	D273 G304 G305 H375	D273-T354 HydrophobicContact CB-CG2 3.55Å; D273-T354 PolarHBondContact OD2-OG1 3.19Å; G304-T354 WeakPolarHBondContact O-CG2 3.32Å; G305-T354 WeakPolarHBondContact O-CB 3.36Å; G305-T354 WeakPolarHBondContact O-CG2 3.21Å; T354-H375 PolarHBondContact O-ND1 3.34Å
355	F	91.8	Very high	94.1	Very high	176 Å²	176	79.9 Å²	79.9	77%	0.772	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	40	178.2	-62.1	-83.3	0	0	0	112.3
356	N	92.1	Very high	93.9	Very high	37 Å²	37	78.6 Å²	78.6	20%	0.198	37%	0.37	C	S	.	.			trans	58.2	-174.5	-177.7	-149.2	-26.5	0	0	0	113.1	H375 R377	N356-H375 WeakPolarHBondContact CA-O 3.41Å; N356-H375 PolarHBondContact N-O 3.27Å; N356-R377 PolarHBondContact OD1-NH1 3.34Å; N356-R377 PolarHBondContact OD1-NH2 2.89Å
357	I	93	Very high	93.7	Very high	24 Å²	24	79.2 Å²	79.2	12%	0.123	38%	0.376	C	S	.	.			trans	-111.3	161.4	166.3	59.2	176.3	0	0	0	109.3	R353 E359 R362 A367 Y368 L371 V374	R353-I357 HydrophobicContact CB-CG2 4.44Å; R353-I357 HydrophobicContact CG-CG2 4.33Å; I357-E359 PolarHBondContact O-N 3.44Å; I357-R362 HydrophobicContact CD1-CG 4.36Å; I357-R362 HydrophobicContact CG1-CG 3.9Å; I357-R362 PolarHBondContact O-NE 2.89Å; I357-A367 HydrophobicContact CD1-CB 3.91Å; I357-Y368 HydrophobicContact CD1-CE1 3.98Å; I357-Y368 HydrophobicContact CD1-CE2 4.22Å; I357-L371 HydrophobicContact CG2-CD1 3.77Å; I357-V374 HydrophobicContact CG2-CG2 4.28Å
358	E	92.6	Very high	93.6	Very high	118 Å²	118	74.7 Å²	74.7	55%	0.551	36%	0.355	S	S	*	.			trans	-53.4	139.5	175.6	-62.7	172.7	-128.7	0	0	110.5	K360 Y361	E358-K360 VanDerWaalsContact C-N 3.31Å; E358-K360 HydrophobicContact CB-CG 4.36Å; E358-K360 PolarHBondContact O-N 2.96Å; E358-K360 WeakPolarHBondContact OE2-CE 3.47Å; E358-K360 IonicContact OE2-NZ 3.4Å; E358-K360 PolarHBondContact OE2-NZ 3.25Å; E358-Y361 HydrophobicContact CB-CD2 3.8Å; E358-Y361 HydrophobicContact CB-CE2 4.21Å; E358-Y361 HydrophobicContact CG-CD2 4.46Å; E358-Y361 PolarHBondContact O-N 3.47Å
359	E	91.9	Very high	93.3	Very high	145 Å²	145	72.8 Å²	72.8	68%	0.678	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-56.7	-41.9	-170.3	-174.6	161.3	-150.4	0	0	113.3	I357 Y361 R362	I357-E359 PolarHBondContact O-N 3.44Å; E359-Y361 PolarHBondContact O-N 2.98Å; E359-R362 WeakPolarHBondContact O-CB 3.34Å; E359-R362 PolarHBondContact O-N 2.66Å; E359-R362 IonicContact OE1-NH1 3.7Å
360	K	92.7	Very high	93	Very high	141 Å²	141	73.9 Å²	73.9	61%	0.613	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-57.6	-21.8	176.2	63.3	177.3	164.3	173.8	0	114.5	E358	E358-K360 VanDerWaalsContact C-N 3.31Å; E358-K360 HydrophobicContact CB-CG 4.36Å; E358-K360 PolarHBondContact O-N 2.96Å; E358-K360 WeakPolarHBondContact OE2-CE 3.47Å; E358-K360 IonicContact OE2-NZ 3.4Å; E358-K360 PolarHBondContact OE2-NZ 3.25Å
361	Y	92.1	Very high	93	Very high	99 Å²	99	66.5 Å²	66.5	39%	0.388	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-97.5	-7	-179.8	-60.5	-49.4	0	0	0	113.1	E358 E359 S363 N364 A367	E358-Y361 HydrophobicContact CB-CD2 3.8Å; E358-Y361 HydrophobicContact CB-CE2 4.21Å; E358-Y361 HydrophobicContact CG-CD2 4.46Å; E358-Y361 PolarHBondContact O-N 3.47Å; E359-Y361 PolarHBondContact O-N 2.98Å; Y361-S363 VanDerWaalsContact C-N 3.3Å; Y361-S363 PolarHBondContact O-N 2.9Å; Y361-N364 PolarHBondContact O-N 3.39Å; Y361-N364 VanDerWaalsContact O-N 3.07Å; Y361-A367 WeakPolarHBondContact O-CB 3.33Å
362	R	91.8	Very high	93	Very high	83 Å²	83	66.4 Å²	66.4	31%	0.313	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-31	-174	-68.4	-179.3	-171.2	159.9	4.6	113.9	I357 E359 Y368	I357-R362 HydrophobicContact CD1-CG 4.36Å; I357-R362 HydrophobicContact CG1-CG 3.9Å; I357-R362 PolarHBondContact O-NE 2.89Å; E359-R362 WeakPolarHBondContact O-CB 3.34Å; E359-R362 PolarHBondContact O-N 2.66Å; E359-R362 IonicContact OE1-NH1 3.7Å; R362-Y368 WeakPolarHBondContact CA-OH 3.2Å; R362-Y368 VanDerWaalsContact O-CE2 3.25Å; R362-Y368 WeakPolarHBondContact O-CE2 2.97Å; R362-Y368 PolarHBondContact O-OH 2.89Å
363	S	90.8	Very high	93	Very high	102 Å²	102	66.4 Å²	66.4	71%	0.713	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	2.4	176.6	-50.7	0	0	0	0	113.3	Y361 P365	Y361-S363 VanDerWaalsContact C-N 3.3Å; Y361-S363 PolarHBondContact O-N 2.9Å; S363-P365 WeakPolarHBondContact O-CD 3.34Å
364	N	91.4	Very high	93.1	Very high	68 Å²	68	61.1 Å²	61.1	36%	0.364	31%	0.306	S	S	.	.			trans	-98.3	111.8	179.2	-176.2	-16.6	0	0	0	110.2	Y361 C366 A367 Y368	Y361-N364 PolarHBondContact O-N 3.39Å; Y361-N364 VanDerWaalsContact O-N 3.07Å; N364-C366 PolarHBondContact O-N 3.37Å; N364-C366 VanDerWaalsContact O-N 3.14Å; N364-C366 VanDerWaalsContact OD1-CB 3.28Å; N364-C366 WeakPolarHBondContact OD1-CB 3.22Å; N364-C366 PolarHBondContact OD1-N 3.03Å; N364-A367 VanDerWaalsContact O-CB 3.31Å; N364-A367 WeakPolarHBondContact O-CB 3.39Å; N364-A367 PolarHBondContact O-N 2.94Å; N364-A367 VanDerWaalsContact O-N 3.08Å; N364-Y368 WeakPolarHBondContact O-CD2 3.44Å
365	P	91.8	Very high	93.2	Very high	32 Å²	32	63.1 Å²	63.1	21%	0.208	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-34.8	177	-31.2	39.4	0	0	0	114.7	S363 A367 Y368 K369 W388 I394	S363-P365 WeakPolarHBondContact O-CD 3.34Å; P365-A367 PolarHBondContact O-N 3.48Å; P365-Y368 PolarHBondContact O-N 2.92Å; P365-K369 PolarHBondContact O-N 3.36Å; P365-W388 HydrophobicContact CB-CB 3.89Å; P365-W388 HydrophobicContact CB-CD2 4.49Å; P365-W388 HydrophobicContact CB-CE3 4.37Å; P365-W388 HydrophobicContact CB-CG 4.36Å; P365-W388 HydrophobicContact CG-CB 3.9Å; P365-W388 HydrophobicContact CG-CD2 3.84Å; P365-W388 HydrophobicContact CG-CE3 3.98Å; P365-W388 HydrophobicContact CG-CG 3.86Å; P365-I394 HydrophobicContact CB-CD1 3.28Å; P365-I394 HydrophobicContact CB-CG1 4.3Å; P365-I394 HydrophobicContact CG-CD1 4.35Å
366	C	91.9	Very high	93.5	Very high	39 Å²	39	57.6 Å²	57.6	26%	0.264	30%	0.297	S	S	.	.	H	α-helix	trans	-66.9	-25.3	-178.1	-64	0	0	0	0	113.3	N364 Y368 K369 C396	N364-C366 PolarHBondContact O-N 3.37Å; N364-C366 VanDerWaalsContact O-N 3.14Å; N364-C366 VanDerWaalsContact OD1-CB 3.28Å; N364-C366 WeakPolarHBondContact OD1-CB 3.22Å; N364-C366 PolarHBondContact OD1-N 3.03Å; C366-Y368 PolarHBondContact O-N 2.84Å; C366-K369 PolarHBondContact O-N 3.32Å; C366-C396 WeakPolarHBondContact CA-SG 3.27Å; C366-C396 HydrophobicContact CB-CB 3.65Å; C366-C396 WeakPolarHBondContact CB-SG 3.34Å; C366-C396 WeakPolarHBondContact SG-CA 3.25Å; C366-C396 WeakPolarHBondContact SG-CB 3.34Å; C366-C396 CovalentContact SG-SG 2.04Å; C366-C396 PolarHBondContact SG-SG 2.84Å
367	A	93.2	Very high	93.7	Very high	24 Å²	24	56.1 Å²	56.1	20%	0.198	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-26.2	174.2	0	0	0	0	0	112.2	I357 Y361 N364 P365 L371	I357-A367 HydrophobicContact CD1-CB 3.91Å; Y361-A367 WeakPolarHBondContact O-CB 3.33Å; N364-A367 VanDerWaalsContact O-CB 3.31Å; N364-A367 WeakPolarHBondContact O-CB 3.39Å; N364-A367 PolarHBondContact O-N 2.94Å; N364-A367 VanDerWaalsContact O-N 3.08Å; P365-A367 PolarHBondContact O-N 3.48Å; A367-L371 VanDerWaalsContact O-CD1 3.3Å; A367-L371 WeakPolarHBondContact O-CD1 3.37Å; A367-L371 VanDerWaalsContact O-CG 3.25Å; A367-L371 WeakPolarHBondContact O-CG 3.43Å
368	Y	94.7	Very high	94	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-93.4	-19.2	-178	-58.7	-87	0	0	0	113.6	F248 N250 I357 R362 N364 P365 C366 S370 L371 V374 R377 I385 W388	F248-Y368 HydrophobicContact CD1-CD1 4.49Å; N250-Y368 PolarHBondContact ND2-O 3.48Å; I357-Y368 HydrophobicContact CD1-CE1 3.98Å; I357-Y368 HydrophobicContact CD1-CE2 4.22Å; R362-Y368 WeakPolarHBondContact CA-OH 3.2Å; R362-Y368 VanDerWaalsContact O-CE2 3.25Å; R362-Y368 WeakPolarHBondContact O-CE2 2.97Å; R362-Y368 PolarHBondContact O-OH 2.89Å; N364-Y368 WeakPolarHBondContact O-CD2 3.44Å; P365-Y368 PolarHBondContact O-N 2.92Å; C366-Y368 PolarHBondContact O-N 2.84Å; Y368-S370 VanDerWaalsContact C-N 3.29Å; Y368-S370 PolarHBondContact O-N 2.96Å; Y368-L371 PolarHBondContact O-N 3.34Å; Y368-V374 HydrophobicContact CD1-CG1 4.03Å; Y368-V374 HydrophobicContact CE1-CG1 3.9Å; Y368-R377 PolarHBondContact OH-NE 3.49Å; Y368-R377 PolarHBondContact OH-NH2 3.38Å; Y368-I385 HydrophobicContact CD1-CD1 4.12Å; Y368-I385 HydrophobicContact CD1-CG1 4.49Å; Y368-I385 HydrophobicContact CD1-CG2 3.84Å; Y368-I385 HydrophobicContact CD2-CG2 4.14Å; Y368-I385 HydrophobicContact CE1-CD1 3.58Å; Y368-I385 HydrophobicContact CE1-CG1 4.19Å; Y368-I385 HydrophobicContact CE1-CG2 4.36Å; Y368-I385 HydrophobicContact CE2-CD1 4.49Å; Y368-I385 HydrophobicContact CE2-CG1 4.31Å; Y368-I385 HydrophobicContact CG-CG2 3.71Å; Y368-W388 HydrophobicContact CE2-CZ3 4.11Å
369	K	91.6	Very high	94.3	Very high	99 Å²	99	53.6 Å²	53.6	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-33.2	-175.2	-169.6	172.1	-174.2	172	0	113.3	N250 P365 C366 L389 C396	N250-K369 PolarHBondContact ND2-O 3.25Å; P365-K369 PolarHBondContact O-N 3.36Å; C366-K369 PolarHBondContact O-N 3.32Å; K369-L389 HydrophobicContact CB-CD2 4.3Å; K369-C396 HydrophobicContact CD-CB 4.2Å
370	S	90	Very high	94.6	Very high	68 Å²	68	52.8 Å²	52.8	48%	0.476	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-12.5	-179.3	64.6	0	0	0	0	113.9	Y368	Y368-S370 VanDerWaalsContact C-N 3.29Å; Y368-S370 PolarHBondContact O-N 2.96Å
371	L	95.4	Very high	94.8	Very high	13 Å²	13	49.4 Å²	49.4	7%	0.068	27%	0.265	C	S	.	.			trans	-83.9	151.6	-178.7	-54.3	-177.7	0	0	0	110.4	N250 R353 I357 A367 Y368 V374	N250-L371 WeakPolarHBondContact CB-O 3.39Å; R353-L371 HydrophobicContact CG-CD1 4Å; R353-L371 HydrophobicContact CG-CD2 3.62Å; R353-L371 HydrophobicContact CG-CG 4.36Å; I357-L371 HydrophobicContact CG2-CD1 3.77Å; A367-L371 VanDerWaalsContact O-CD1 3.3Å; A367-L371 WeakPolarHBondContact O-CD1 3.37Å; A367-L371 VanDerWaalsContact O-CG 3.25Å; A367-L371 WeakPolarHBondContact O-CG 3.43Å; Y368-L371 PolarHBondContact O-N 3.34Å; L371-V374 HydrophobicContact CD1-CB 4.41Å
372	M	97.3	Very high	95.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	25%	0.247	C	C	.	.	S	Bend	trans	-94	-41	168.5	-71.5	175.4	167.9	0	0	110.5	V249 N250 R253 I254 F257 H349 G351 F352	V249-M372 CarbonylContact C-O 3.57Å; V249-M372 WeakPolarHBondContact CA-O 3.43Å; V249-M372 WeakPolarHBondContact CG1-O 3.24Å; N250-M372 PolarHBondContact N-O 3.09Å; R253-M372 HydrophobicContact CG-CG 4.05Å; I254-M372 HydrophobicContact CG1-CB 4.13Å; I254-M372 HydrophobicContact CG1-CG 4.2Å; F257-M372 HydrophobicContact CB-CE 3.37Å; F257-M372 HydrophobicContact CD1-CE 3.61Å; F257-M372 HydrophobicContact CD2-CE 3.67Å; F257-M372 HydrophobicContact CE1-CE 4.29Å; F257-M372 HydrophobicContact CE2-CE 4.34Å; F257-M372 HydrophobicContact CG-CE 3.26Å; H349-M372 WeakPolarHBondContact CE1-CE 3.41Å; H349-M372 PolarHBondContact CE1-SD 2.89Å; H349-M372 PolarHBondContact ND1-SD 3.45Å; G351-M372 PolarHBondContact O-N 3Å; F352-M372 HydrophobicContact CD2-CB 4.32Å; F352-M372 HydrophobicContact CD2-SD 3.98Å; F352-M372 HydrophobicContact CE2-CB 4.15Å; F352-M372 HydrophobicContact CE2-CG 4.47Å; F352-M372 HydrophobicContact CE2-SD 3.39Å; F352-M372 WeakPolarHBondContact CE2-SD 3.23Å; F352-M372 HydrophobicContact CZ-CB 4.42Å; F352-M372 HydrophobicContact CZ-SD 4.15Å
373	L	97.9	Very high	95.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	144.3	-177.8	177.9	145.5	0	0	0	110.3	F241 V247 F248 V249 G351 F352 R353 H375	F241-L373 HydrophobicContact CE2-CD1 3.74Å; F241-L373 HydrophobicContact CZ-CD1 3.56Å; V247-L373 HydrophobicContact CB-CD1 4.01Å; V247-L373 HydrophobicContact CB-CD2 4.43Å; V247-L373 HydrophobicContact CB-CG 4.08Å; V247-L373 HydrophobicContact CG1-CD1 4.25Å; V247-L373 HydrophobicContact CG1-CD2 4.4Å; V247-L373 HydrophobicContact CG1-CG 4.49Å; V247-L373 HydrophobicContact CG2-CD1 3.76Å; V247-L373 HydrophobicContact CG2-CG 4.26Å; F248-L373 CarbonylContact O-C 3.58Å; F248-L373 VanDerWaalsContact O-CA 3.31Å; F248-L373 WeakPolarHBondContact O-CA 3.48Å; V249-L373 HydrophobicContact CG2-CD1 4.32Å; G351-L373 PolarHBondContact O-N 2.9Å; G351-L373 VanDerWaalsContact O-N 3.12Å; F352-L373 HydrophobicContact CD1-CB 3.87Å; F352-L373 HydrophobicContact CD1-CD1 4.45Å; F352-L373 HydrophobicContact CE1-CB 4.32Å; R353-L373 PolarHBondContact N-O 2.97Å; L373-H375 HydrophobicContact CD2-CB 4.35Å
374	V	97.6	Very high	95.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.1	166.5	64.4	0	0	0	0	111.4	V247 F248 R353 I357 Y368 L371 R377	V247-V374 WeakPolarHBondContact CA-O 3.25Å; F248-V374 HydrophobicContact CB-CG1 3.84Å; F248-V374 HydrophobicContact CD1-CG1 4.19Å; F248-V374 HydrophobicContact CG-CG1 4.48Å; F248-V374 PolarHBondContact N-O 3.45Å; F248-V374 PolarHBondContact O-N 2.99Å; R353-V374 HydrophobicContact CB-CB 4.39Å; R353-V374 HydrophobicContact CB-CG2 4.23Å; R353-V374 CarbonylContact O-C 3.56Å; R353-V374 VanDerWaalsContact O-CA 3.27Å; R353-V374 WeakPolarHBondContact O-CA 3.38Å; I357-V374 HydrophobicContact CG2-CG2 4.28Å; Y368-V374 HydrophobicContact CD1-CG1 4.03Å; Y368-V374 HydrophobicContact CE1-CG1 3.9Å; L371-V374 HydrophobicContact CD1-CB 4.41Å; V374-R377 HydrophobicContact CG1-CG 4.12Å
375	H	96.7	Very high	96	Very high	48 Å²	48	40.3 Å²	40.3	22%	0.222	22%	0.218	C	C	.	.	S	Bend	trans	-123.2	143.9	178.1	168.1	-93	0	0	0	110.7	D246 V247 R353 T354 N356 L373	D246-H375 IonicContact OD1-CD2 3.31Å; D246-H375 IonicContact OD1-NE2 2.74Å; V247-H375 HydrophobicContact CG1-CB 3.85Å; R353-H375 PolarHBondContact O-N 3.3Å; T354-H375 PolarHBondContact O-ND1 3.34Å; N356-H375 WeakPolarHBondContact CA-O 3.41Å; N356-H375 PolarHBondContact N-O 3.27Å; L373-H375 HydrophobicContact CD2-CB 4.35Å
376	P	96.8	Very high	96.2	Very high	60 Å²	60	40 Å²	40	39%	0.39	21%	0.213	S	C	.	.			cis	-88.9	162.6	-14.4	34.3	-33.2	0	0	0	111.9	D246	D246-P376 CarbonylContact O-C 3.59Å; D246-P376 WeakPolarHBondContact O-CA 3.39Å
377	R	97.4	Very high	96.3	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.026	22%	0.217	C	C	.	.			trans	-136.8	142.8	166.8	-69.7	-63.2	-178.7	-87.5	8.5	110.6	D246 F248 N356 Y368 V374 E381 M382 I385	D246-R377 PolarHBondContact O-N 3.18Å; F248-R377 HydrophobicContact CB-CB 4.21Å; F248-R377 HydrophobicContact CB-CG 3.76Å; N356-R377 PolarHBondContact OD1-NH1 3.34Å; N356-R377 PolarHBondContact OD1-NH2 2.89Å; Y368-R377 PolarHBondContact OH-NE 3.49Å; Y368-R377 PolarHBondContact OH-NH2 3.38Å; V374-R377 HydrophobicContact CG1-CG 4.12Å; R377-E381 WeakPolarHBondContact CA-OE2 3.18Å; R377-E381 HydrophobicContact CB-CB 4.27Å; R377-M382 HydrophobicContact CB-CE 4.37Å; R377-M382 HydrophobicContact CB-CG 4Å; R377-M382 WeakPolarHBondContact O-CE 3.42Å; R377-I385 HydrophobicContact CG-CD1 4.07Å
378	T	98.1	Very high	96.4	Very high	67 Å²	67	41.3 Å²	41.3	41%	0.411	22%	0.215	S	C	.	.			trans	-75.4	160	171.1	61.7	0	0	0	0	110.9	Q380 E381 M382	T378-Q380 VanDerWaalsContact C-N 3.26Å; T378-Q380 PolarHBondContact O-N 3.26Å; T378-E381 WeakPolarHBondContact CB-OE2 3.45Å; T378-E381 PolarHBondContact N-OE2 3.37Å; T378-E381 PolarHBondContact O-N 2.83Å; T378-E381 VanDerWaalsContact O-N 3.15Å; T378-E381 WeakPolarHBondContact OG1-CB 3.47Å; T378-E381 VanDerWaalsContact OG1-CD 3.29Å; T378-E381 WeakPolarHBondContact OG1-CG 3.49Å; T378-E381 PolarHBondContact OG1-N 3.33Å; T378-E381 PolarHBondContact OG1-OE2 3.37Å; T378-M382 WeakPolarHBondContact O-CG 3.22Å; T378-M382 PolarHBondContact O-N 3.45Å
379	P	98.6	Very high	96.3	Very high	21 Å²	21	42.4 Å²	42.4	14%	0.136	22%	0.221	C	C	.	.	H	α-helix	trans	-52.1	-42.2	176.9	-29.4	37.3	0	0	0	113.8	V155 R156 A159 M382 I383	V155-P379 HydrophobicContact CG1-CB 3.85Å; V155-P379 HydrophobicContact CG1-CG 3.92Å; R156-P379 HydrophobicContact CG-CG 3.99Å; A159-P379 HydrophobicContact CB-CB 3.61Å; P379-M382 PolarHBondContact O-N 3.38Å; P379-I383 WeakPolarHBondContact O-CG1 3.33Å; P379-I383 PolarHBondContact O-N 2.89Å
380	Q	98.4	Very high	96.1	Very high	128 Å²	128	41 Å²	41	60%	0.598	22%	0.218	S	C	*	.	H	α-helix	trans	-66.9	-43.9	179.4	-67	79.2	-0.4	0	0	111.5	T378 M382 I383 Q384	T378-Q380 VanDerWaalsContact C-N 3.26Å; T378-Q380 PolarHBondContact O-N 3.26Å; Q380-M382 VanDerWaalsContact C-N 3.31Å; Q380-M382 PolarHBondContact O-N 3.42Å; Q380-I383 PolarHBondContact O-N 3.32Å; Q380-Q384 VanDerWaalsContact O-CB 3.29Å; Q380-Q384 WeakPolarHBondContact O-CB 3.38Å; Q380-Q384 PolarHBondContact O-N 3.4Å
381	E	97.8	Very high	96	Very high	70 Å²	70	44 Å²	44	33%	0.327	22%	0.219	S	C	.	.	H	α-helix	trans	-63.2	-38	176	-70.8	168.2	136.2	0	0	111.5	R377 T378 Q384 I385	R377-E381 WeakPolarHBondContact CA-OE2 3.18Å; R377-E381 HydrophobicContact CB-CB 4.27Å; T378-E381 WeakPolarHBondContact CB-OE2 3.45Å; T378-E381 PolarHBondContact N-OE2 3.37Å; T378-E381 PolarHBondContact O-N 2.83Å; T378-E381 VanDerWaalsContact O-N 3.15Å; T378-E381 WeakPolarHBondContact OG1-CB 3.47Å; T378-E381 VanDerWaalsContact OG1-CD 3.29Å; T378-E381 WeakPolarHBondContact OG1-CG 3.49Å; T378-E381 PolarHBondContact OG1-N 3.33Å; T378-E381 PolarHBondContact OG1-OE2 3.37Å; E381-Q384 PolarHBondContact O-N 2.83Å; E381-I385 HydrophobicContact CB-CD1 4.39Å; E381-I385 WeakPolarHBondContact O-CB 3.49Å; E381-I385 WeakPolarHBondContact O-CD1 3.45Å; E381-I385 WeakPolarHBondContact O-CG1 3.37Å; E381-I385 PolarHBondContact O-N 2.83Å
382	M	98.4	Very high	95	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-48.7	176.9	-66.7	176.5	-164.1	0	0	111.8	I160 D245 V247 F248 R377 T378 P379 Q380 Q384 W386	I160-M382 HydrophobicContact CG1-SD 3.91Å; D245-M382 WeakPolarHBondContact O-CE 3.41Å; V247-M382 WeakPolarHBondContact O-CE 3.41Å; F248-M382 HydrophobicContact CB-CG 4.49Å; F248-M382 HydrophobicContact CD2-CB 4.41Å; R377-M382 HydrophobicContact CB-CE 4.37Å; R377-M382 HydrophobicContact CB-CG 4Å; R377-M382 WeakPolarHBondContact O-CE 3.42Å; T378-M382 WeakPolarHBondContact O-CG 3.22Å; T378-M382 PolarHBondContact O-N 3.45Å; P379-M382 PolarHBondContact O-N 3.38Å; Q380-M382 VanDerWaalsContact C-N 3.31Å; Q380-M382 PolarHBondContact O-N 3.42Å; M382-Q384 VanDerWaalsContact C-N 3.35Å; M382-W386 VanDerWaalsContact O-CB 3.31Å; M382-W386 WeakPolarHBondContact O-CB 3.31Å; M382-W386 PolarHBondContact O-N 2.65Å
383	I	98.1	Very high	94	Very high	67 Å²	67	55 Å²	55	34%	0.344	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-43.8	177.9	-65.4	168.2	0	0	0	110.2	A159 P379 Q380 W386 S387	A159-I383 HydrophobicContact CB-CD1 3.9Å; A159-I383 HydrophobicContact CB-CG1 4.01Å; P379-I383 WeakPolarHBondContact O-CG1 3.33Å; P379-I383 PolarHBondContact O-N 2.89Å; Q380-I383 PolarHBondContact O-N 3.32Å; I383-W386 PolarHBondContact O-N 2.89Å; I383-S387 WeakPolarHBondContact O-CB 3.23Å; I383-S387 PolarHBondContact O-N 3.41Å
384	Q	96.7	Very high	93.1	Very high	93 Å²	93	56.7 Å²	56.7	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-50.5	-179.9	-175.5	177.7	22.1	0	0	111.7	Q380 E381 M382 W386 S387 W388	Q380-Q384 VanDerWaalsContact O-CB 3.29Å; Q380-Q384 WeakPolarHBondContact O-CB 3.38Å; Q380-Q384 PolarHBondContact O-N 3.4Å; E381-Q384 PolarHBondContact O-N 2.83Å; M382-Q384 VanDerWaalsContact C-N 3.35Å; Q384-W386 VanDerWaalsContact C-N 3.31Å; Q384-W386 PolarHBondContact O-N 3.35Å; Q384-S387 WeakPolarHBondContact O-CB 3.28Å; Q384-S387 PolarHBondContact O-N 2.83Å; Q384-S387 VanDerWaalsContact O-N 3.17Å; Q384-S387 PolarHBondContact O-OG 2.89Å; Q384-W388 VanDerWaalsContact CD-CZ2 3.42Å; Q384-W388 HydrophobicContact CG-CD2 4.24Å; Q384-W388 HydrophobicContact CG-CH2 4.03Å; Q384-W388 HydrophobicContact CG-CZ2 3.48Å; Q384-W388 VanDerWaalsContact CG-CZ2 3.48Å; Q384-W388 PolarHBondContact O-N 3.46Å
385	I	96.8	Very high	92.1	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-42.3	179	-63.9	160.4	0	0	0	110.3	F248 Y368 R377 E381 S387 W388 L389	F248-I385 HydrophobicContact CB-CD1 4.43Å; F248-I385 HydrophobicContact CD1-CG2 3.84Å; F248-I385 HydrophobicContact CD2-CB 4Å; F248-I385 HydrophobicContact CD2-CG2 4.02Å; F248-I385 HydrophobicContact CE1-CB 4.5Å; F248-I385 HydrophobicContact CE1-CG2 3.49Å; F248-I385 VanDerWaalsContact CE1-CG2 3.49Å; F248-I385 HydrophobicContact CE2-CB 3.87Å; F248-I385 HydrophobicContact CE2-CG2 3.68Å; F248-I385 HydrophobicContact CG-CB 4.38Å; F248-I385 HydrophobicContact CG-CD1 4.28Å; F248-I385 HydrophobicContact CG-CG2 4.1Å; F248-I385 HydrophobicContact CZ-CB 4.14Å; F248-I385 HydrophobicContact CZ-CG2 3.42Å; F248-I385 VanDerWaalsContact CZ-CG2 3.42Å; Y368-I385 HydrophobicContact CD1-CD1 4.12Å; Y368-I385 HydrophobicContact CD1-CG1 4.49Å; Y368-I385 HydrophobicContact CD1-CG2 3.84Å; Y368-I385 HydrophobicContact CD2-CG2 4.14Å; Y368-I385 HydrophobicContact CE1-CD1 3.58Å; Y368-I385 HydrophobicContact CE1-CG1 4.19Å; Y368-I385 HydrophobicContact CE1-CG2 4.36Å; Y368-I385 HydrophobicContact CE2-CD1 4.49Å; Y368-I385 HydrophobicContact CE2-CG1 4.31Å; Y368-I385 HydrophobicContact CG-CG2 3.71Å; R377-I385 HydrophobicContact CG-CD1 4.07Å; E381-I385 HydrophobicContact CB-CD1 4.39Å; E381-I385 WeakPolarHBondContact O-CB 3.49Å; E381-I385 WeakPolarHBondContact O-CD1 3.45Å; E381-I385 WeakPolarHBondContact O-CG1 3.37Å; E381-I385 PolarHBondContact O-N 2.83Å; I385-S387 VanDerWaalsContact C-N 3.34Å; I385-S387 PolarHBondContact O-N 3.11Å; I385-W388 HydrophobicContact CB-CE3 4.29Å; I385-W388 HydrophobicContact CG1-CE3 4Å; I385-W388 HydrophobicContact CG1-CZ3 3.84Å; I385-W388 WeakPolarHBondContact O-CB 3.45Å; I385-W388 PolarHBondContact O-N 2.97Å; I385-L389 HydrophobicContact CG2-CD1 4.34Å; I385-L389 HydrophobicContact CG2-CG 4.47Å; I385-L389 WeakPolarHBondContact O-CG 3.19Å; I385-L389 PolarHBondContact O-N 3.39Å
386	W	96.4	Very high	91.4	Very high	25 Å²	25	62.4 Å²	62.4	10%	0.095	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-43.7	175.5	-171.5	-112.5	0	0	0	112.3	S163 W164 F248 Y252 M382 I383 Q384 W388 L389 N390	S163-W386 VanDerWaalsContact CA-CD1 3.45Å; S163-W386 PolarHBondContact O-NE1 3.29Å; W164-W386 HydrophobicContact CB-CE3 3.88Å; W164-W386 HydrophobicContact CB-CZ3 3.96Å; F248-W386 HydrophobicContact CE2-CB 4.13Å; F248-W386 HydrophobicContact CE2-CE3 4.21Å; F248-W386 HydrophobicContact CZ-CE3 4.15Å; Y252-W386 AromaticContact CD2-CH2 3.63Å; Y252-W386 HydrophobicContact CD2-CH2 3.63Å; Y252-W386 HydrophobicContact CD2-CZ2 4.46Å; Y252-W386 AromaticContact CD2-CZ3 3.99Å; Y252-W386 HydrophobicContact CD2-CZ3 3.99Å; Y252-W386 AromaticContact CE2-CH2 3.27Å; Y252-W386 HydrophobicContact CE2-CH2 3.27Å; Y252-W386 AromaticContact CE2-CZ2 3.67Å; Y252-W386 HydrophobicContact CE2-CZ2 3.67Å; Y252-W386 AromaticContact CE2-CZ3 4Å; Y252-W386 HydrophobicContact CE2-CZ3 4Å; M382-W386 VanDerWaalsContact O-CB 3.31Å; M382-W386 WeakPolarHBondContact O-CB 3.31Å; M382-W386 PolarHBondContact O-N 2.65Å; I383-W386 PolarHBondContact O-N 2.89Å; Q384-W386 VanDerWaalsContact C-N 3.31Å; Q384-W386 PolarHBondContact O-N 3.35Å; W386-W388 VanDerWaalsContact C-N 3.26Å; W386-W388 PolarHBondContact O-N 2.9Å; W386-L389 PolarHBondContact O-N 2.79Å; W386-N390 VanDerWaalsContact CD1-ND2 3.31Å; W386-N390 PolarHBondContact NE1-ND2 3.19Å; W386-N390 PolarHBondContact O-N 2.75Å; W386-N390 VanDerWaalsContact O-N 3.13Å; W386-N390 PolarHBondContact O-ND2 3.43Å
387	S	95.3	Very high	89.7	Confident	50 Å²	50	72.2 Å²	72.2	35%	0.35	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-35.6	176.3	82.1	0	0	0	0	112.3	I383 Q384 I385 R391	I383-S387 WeakPolarHBondContact O-CB 3.23Å; I383-S387 PolarHBondContact O-N 3.41Å; Q384-S387 WeakPolarHBondContact O-CB 3.28Å; Q384-S387 PolarHBondContact O-N 2.83Å; Q384-S387 VanDerWaalsContact O-N 3.17Å; Q384-S387 PolarHBondContact O-OG 2.89Å; I385-S387 VanDerWaalsContact C-N 3.34Å; I385-S387 PolarHBondContact O-N 3.11Å; S387-R391 WeakPolarHBondContact O-CG 3.38Å
388	W	94.1	Very high	89.3	Confident	40 Å²	40	75.5 Å²	75.5	15%	0.152	39%	0.392	C	S	.	.	H	α-helix	trans	-69	-42.4	176.1	-62.4	-26.8	0	0	0	112.4	P365 Y368 Q384 I385 W386 N390 R391 I394	P365-W388 HydrophobicContact CB-CB 3.89Å; P365-W388 HydrophobicContact CB-CD2 4.49Å; P365-W388 HydrophobicContact CB-CE3 4.37Å; P365-W388 HydrophobicContact CB-CG 4.36Å; P365-W388 HydrophobicContact CG-CB 3.9Å; P365-W388 HydrophobicContact CG-CD2 3.84Å; P365-W388 HydrophobicContact CG-CE3 3.98Å; P365-W388 HydrophobicContact CG-CG 3.86Å; Y368-W388 HydrophobicContact CE2-CZ3 4.11Å; Q384-W388 VanDerWaalsContact CD-CZ2 3.42Å; Q384-W388 HydrophobicContact CG-CD2 4.24Å; Q384-W388 HydrophobicContact CG-CH2 4.03Å; Q384-W388 HydrophobicContact CG-CZ2 3.48Å; Q384-W388 VanDerWaalsContact CG-CZ2 3.48Å; Q384-W388 PolarHBondContact O-N 3.46Å; I385-W388 HydrophobicContact CB-CE3 4.29Å; I385-W388 HydrophobicContact CG1-CE3 4Å; I385-W388 HydrophobicContact CG1-CZ3 3.84Å; I385-W388 WeakPolarHBondContact O-CB 3.45Å; I385-W388 PolarHBondContact O-N 2.97Å; W386-W388 VanDerWaalsContact C-N 3.26Å; W386-W388 PolarHBondContact O-N 2.9Å; W388-N390 VanDerWaalsContact C-N 3.3Å; W388-N390 PolarHBondContact O-N 2.98Å; W388-R391 WeakPolarHBondContact O-CB 3.38Å; W388-R391 PolarHBondContact O-N 3.18Å; W388-I394 WeakPolarHBondContact O-CD1 3.32Å
389	L	92.4	Very high	88.8	Confident	28 Å²	28	75.9 Å²	75.9	15%	0.147	39%	0.391	C	S	.	.	H	α-helix	trans	-73.1	-22.8	-176.9	-66.6	-175.8	0	0	0	113.4	F248 K369 I385 W386 I394	F248-L389 HydrophobicContact CE1-CD1 3.9Å; F248-L389 HydrophobicContact CZ-CD1 3.75Å; K369-L389 HydrophobicContact CB-CD2 4.3Å; I385-L389 HydrophobicContact CG2-CD1 4.34Å; I385-L389 HydrophobicContact CG2-CG 4.47Å; I385-L389 WeakPolarHBondContact O-CG 3.19Å; I385-L389 PolarHBondContact O-N 3.39Å; W386-L389 PolarHBondContact O-N 2.79Å; L389-I394 HydrophobicContact CD2-CD1 4.46Å
390	N	88.8	Confident	88.3	Confident	69 Å²	69	79 Å²	79	37%	0.369	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.7	177.2	-70.4	-22.2	0	0	0	114.2	Y252 W386 W388	Y252-N390 VanDerWaalsContact CE2-OD1 3.29Å; Y252-N390 WeakPolarHBondContact CE2-OD1 3.48Å; W386-N390 VanDerWaalsContact CD1-ND2 3.31Å; W386-N390 PolarHBondContact NE1-ND2 3.19Å; W386-N390 PolarHBondContact O-N 2.75Å; W386-N390 VanDerWaalsContact O-N 3.13Å; W386-N390 PolarHBondContact O-ND2 3.43Å; W388-N390 VanDerWaalsContact C-N 3.3Å; W388-N390 PolarHBondContact O-N 2.98Å
391	R	87.3	Confident	87.7	Confident	132 Å²	132	76.1 Å²	76.1	50%	0.498	39%	0.394	S	S	.	.			trans	-72.3	124	177.2	-86.6	-177.9	-163.9	-163.2	2.5	110.7	S387 W388 D393 I394	S387-R391 WeakPolarHBondContact O-CG 3.38Å; W388-R391 WeakPolarHBondContact O-CB 3.38Å; W388-R391 PolarHBondContact O-N 3.18Å; R391-D393 VanDerWaalsContact CB-OD1 3.27Å; R391-D393 WeakPolarHBondContact CB-OD1 3.07Å; R391-D393 PolarHBondContact O-N 3.1Å; R391-I394 WeakPolarHBondContact O-CG2 3.27Å; R391-I394 PolarHBondContact O-N 2.97Å
392	P	74.4	Confident	87.1	Confident	135 Å²	135	76.5 Å²	76.5	88%	0.877	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.9	-179.3	26.9	-32.9	0	0	0	113	I394	P392-I394 VanDerWaalsContact C-N 3.35Å
393	D	76.8	Confident	86.3	Confident	112 Å²	112	81.6 Å²	81.6	60%	0.599	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	0.5	-178.6	58.1	-53	0	0	0	114.3	R391 T395	R391-D393 VanDerWaalsContact CB-OD1 3.27Å; R391-D393 WeakPolarHBondContact CB-OD1 3.07Å; R391-D393 PolarHBondContact O-N 3.1Å; D393-T395 PolarHBondContact O-N 2.73Å
394	I	78.4	Confident	85.5	Confident	35 Å²	35	82.6 Å²	82.6	18%	0.179	43%	0.43	C	S	.	.			trans	-74	90.9	-178.6	-165.2	174.5	0	0	0	112.7	P365 W388 L389 R391 P392	P365-I394 HydrophobicContact CB-CD1 3.28Å; P365-I394 HydrophobicContact CB-CG1 4.3Å; P365-I394 HydrophobicContact CG-CD1 4.35Å; W388-I394 WeakPolarHBondContact O-CD1 3.32Å; L389-I394 HydrophobicContact CD2-CD1 4.46Å; R391-I394 WeakPolarHBondContact O-CG2 3.27Å; R391-I394 PolarHBondContact O-N 2.97Å; P392-I394 VanDerWaalsContact C-N 3.35Å
395	T	76.8	Confident	84.6	Confident	127 Å²	127	81.8 Å²	81.8	78%	0.779	43%	0.43	S	S	*	.			trans	-86.4	115.2	169.1	42	0	0	0	0	111.2	D393	D393-T395 PolarHBondContact O-N 2.73Å
396	C	82.1	Confident	83.6	Confident	42 Å²	42	88.5 Å²	88.5	28%	0.284	47%	0.465	S	S	.	.			trans	-106.3	110	169.3	-59.4	0	0	0	0	107	C366 K369	C366-C396 WeakPolarHBondContact CA-SG 3.27Å; C366-C396 HydrophobicContact CB-CB 3.65Å; C366-C396 WeakPolarHBondContact CB-SG 3.34Å; C366-C396 WeakPolarHBondContact SG-CA 3.25Å; C366-C396 WeakPolarHBondContact SG-CB 3.34Å; C366-C396 CovalentContact SG-SG 2.04Å; C366-C396 PolarHBondContact SG-SG 2.84Å; K369-C396 HydrophobicContact CD-CB 4.2Å
397	Q	60.2	Low	82.4	Confident	267 Å²	267	94.3 Å²	94.3	100%	1.248	50%	0.498	S	S	*	.			trans	-75.6	0	175.5	-72.7	-177.9	-11.8	0	0	111.3

Retrieved 397 of 397 residues in 223.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).