A0A068Q8C6_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A068Q8C6, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 266 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	42.8	Very low	45.9	Very low	232 Å²	232	129.6 Å²	129.6	100%	1.143	77%	0.767	S	S	*	*				0	91.5	0	-160.3	172.1	-169.6	0	0	107.1
2	V	27.4	Very low	46.9	Very low	136 Å²	136	127.4 Å²	127.4	82%	0.824	75%	0.746	S	S	*	*			trans	-109.8	99.7	178.3	177.6	0	0	0	0	106.5	L4	V2-L4 PolarHBondContact O-N 3.25Å
3	C	40.9	Very low	48.3	Very low	110 Å²	110	121.8 Å²	121.8	74%	0.743	72%	0.723	S	S	*	*			trans	-68.5	106.3	168.4	-82.5	0	0	0	0	108.7	R5	C3-R5 PolarHBondContact O-N 3.09Å; C3-R5 VanDerWaalsContact O-N 3.09Å
4	L	38.6	Very low	49.6	Very low	156 Å²	156	119.4 Å²	119.4	82%	0.817	71%	0.709	S	S	*	*			trans	-73.8	93.8	162.5	-92.7	145.9	0	0	0	108.4	V2 L6	V2-L4 PolarHBondContact O-N 3.25Å; L4-L6 PolarHBondContact O-N 3.33Å
5	R	46.3	Very low	50.8	Low	234 Å²	234	117.7 Å²	117.7	88%	0.883	70%	0.695	S	S	*	*			trans	-70	110	161.5	-82	-172.7	175.4	175.8	-0.7	107.9	C3	C3-R5 PolarHBondContact O-N 3.09Å; C3-R5 VanDerWaalsContact O-N 3.09Å
6	L	44.7	Very low	51.7	Low	133 Å²	133	115 Å²	115	70%	0.696	68%	0.68	S	S	*	*			trans	-70.6	130.1	169.1	-73.6	162.1	0	0	0	109.1	L4 G8	L4-L6 PolarHBondContact O-N 3.33Å; L6-G8 PolarHBondContact O-N 2.85Å
7	P	44.1	Very low	52.5	Low	107 Å²	107	113.5 Å²	113.5	70%	0.695	67%	0.672	S	S	*	*			trans	-73.8	122.5	174.3	12.6	-1.5	0	0	0	109.2	G9	P7-G9 PolarHBondContact O-N 3.4Å
8	G	53.9	Low	53.2	Low	94 Å²	94	110.9 Å²	110.9	97%	0.969	66%	0.658	S	S	*	*			trans	-68	77.2	171.5	0	0	0	0	0	111.5	L6	L6-G8 PolarHBondContact O-N 2.85Å
9	G	52.6	Low	53.7	Low	37 Å²	37	110.6 Å²	110.6	38%	0.381	65%	0.652	S	S	.	*			trans	-105.1	144.2	170.7	0	0	0	0	0	110.8	P7 C11 M12	P7-G9 PolarHBondContact O-N 3.4Å; G9-C11 PolarHBondContact O-N 2.93Å; G9-M12 PolarHBondContact O-N 2.92Å
10	S	57.5	Low	54.2	Low	100 Å²	100	111.4 Å²	111.4	70%	0.699	65%	0.65	S	S	*	*	H	α-helix	trans	-53.5	-22.7	-178.8	74.2	0	0	0	0	113.5	M12 A13 V14	S10-M12 VanDerWaalsContact C-N 3.35Å; S10-M12 PolarHBondContact O-N 3.24Å; S10-A13 PolarHBondContact O-N 3.36Å; S10-V14 VanDerWaalsContact O-CG2 3.3Å; S10-V14 WeakPolarHBondContact O-CG2 3.42Å; S10-V14 PolarHBondContact O-N 3.44Å
11	C	56.2	Low	54.5	Low	87 Å²	87	110.9 Å²	110.9	59%	0.588	65%	0.648	S	S	*	*	H	α-helix	trans	-61.3	-38	175.1	-163.7	0	0	0	0	112.9	G9 V14 L15	G9-C11 PolarHBondContact O-N 2.93Å; C11-V14 PolarHBondContact O-N 2.86Å; C11-L15 WeakPolarHBondContact O-CB 3.3Å; C11-L15 PolarHBondContact O-N 2.61Å
12	M	58.4	Low	55.2	Low	103 Å²	103	106.7 Å²	106.7	51%	0.507	63%	0.63	S	S	.	*	H	α-helix	trans	-69.9	-37	176.2	-74.2	-62.4	-69.5	0	0	111.6	G9 S10 L15 T16	G9-M12 PolarHBondContact O-N 2.92Å; S10-M12 VanDerWaalsContact C-N 3.35Å; S10-M12 PolarHBondContact O-N 3.24Å; M12-L15 PolarHBondContact O-N 3.36Å; M12-T16 PolarHBondContact O-N 2.87Å; M12-T16 PolarHBondContact O-OG1 3.42Å
13	A	64.1	Low	56.6	Low	55 Å²	55	103.7 Å²	103.7	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-66.8	-43	174.7	0	0	0	0	0	111.3	S10 L15 T16 V17	S10-A13 PolarHBondContact O-N 3.36Å; A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 2.86Å; A13-T16 WeakPolarHBondContact CA-OG1 3.42Å; A13-T16 PolarHBondContact O-N 3.45Å; A13-T16 PolarHBondContact O-OG1 3.47Å; A13-V17 WeakPolarHBondContact O-CB 3.23Å; A13-V17 VanDerWaalsContact O-CG2 3.23Å; A13-V17 WeakPolarHBondContact O-CG2 3.48Å; A13-V17 PolarHBondContact O-N 2.85Å
14	V	66.6	Low	57.1	Low	87 Å²	87	101.5 Å²	101.5	53%	0.527	60%	0.601	S	S	.	*	H	α-helix	trans	-61	-44.2	172.8	172.8	0	0	0	0	110	S10 C11 T16 V17 T18	S10-V14 VanDerWaalsContact O-CG2 3.3Å; S10-V14 WeakPolarHBondContact O-CG2 3.42Å; S10-V14 PolarHBondContact O-N 3.44Å; C11-V14 PolarHBondContact O-N 2.86Å; V14-T16 PolarHBondContact O-N 3.49Å; V14-V17 PolarHBondContact O-N 2.58Å; V14-T18 VanDerWaalsContact O-CB 3.29Å; V14-T18 WeakPolarHBondContact O-CB 3.41Å; V14-T18 PolarHBondContact O-N 2.85Å; V14-T18 PolarHBondContact O-OG1 3.46Å
15	L	67.6	Low	58	Low	95 Å²	95	99.6 Å²	99.6	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-63.9	-40	177.1	-121.8	118.4	0	0	0	112.3	C11 M12 A13 L19	C11-L15 WeakPolarHBondContact O-CB 3.3Å; C11-L15 PolarHBondContact O-N 2.61Å; M12-L15 PolarHBondContact O-N 3.36Å; A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 2.86Å; L15-L19 HydrophobicContact CD2-CD1 4.12Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 PolarHBondContact O-N 3.37Å
16	T	65.3	Low	58.3	Low	74 Å²	74	96.3 Å²	96.3	45%	0.454	60%	0.597	S	S	.	*	H	α-helix	trans	-68.1	-42.1	176.6	7.7	0	0	0	0	111.5	M12 A13 V14 L19 M20	M12-T16 PolarHBondContact O-N 2.87Å; M12-T16 PolarHBondContact O-OG1 3.42Å; A13-T16 WeakPolarHBondContact CA-OG1 3.42Å; A13-T16 PolarHBondContact O-N 3.45Å; A13-T16 PolarHBondContact O-OG1 3.47Å; V14-T16 PolarHBondContact O-N 3.49Å; T16-L19 PolarHBondContact O-N 3.3Å; T16-M20 HydrophobicContact CG2-CE 4.47Å; T16-M20 WeakPolarHBondContact O-CB 3.34Å; T16-M20 VanDerWaalsContact O-CG 3.31Å; T16-M20 WeakPolarHBondContact O-CG 3.36Å; T16-M20 PolarHBondContact O-N 2.83Å
17	V	65.4	Low	58.9	Low	90 Å²	90	93.2 Å²	93.2	55%	0.545	59%	0.591	S	S	.	*	H	α-helix	trans	-65.3	-43.5	176.1	172.3	0	0	0	0	110.6	A13 V14 L19 M20 V21	A13-V17 WeakPolarHBondContact O-CB 3.23Å; A13-V17 VanDerWaalsContact O-CG2 3.23Å; A13-V17 WeakPolarHBondContact O-CG2 3.48Å; A13-V17 PolarHBondContact O-N 2.85Å; V14-V17 PolarHBondContact O-N 2.58Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.17Å; V17-M20 PolarHBondContact O-N 2.53Å; V17-V21 HydrophobicContact CG1-CG2 4.33Å; V17-V21 WeakPolarHBondContact O-CB 3.41Å; V17-V21 VanDerWaalsContact O-CG2 3.25Å; V17-V21 WeakPolarHBondContact O-CG2 3.14Å; V17-V21 PolarHBondContact O-N 3.46Å
18	T	65.4	Low	59.5	Low	67 Å²	67	96.6 Å²	96.6	41%	0.411	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-40.2	178.1	-45	0	0	0	0	110.7	V14 V21 L22	V14-T18 VanDerWaalsContact O-CB 3.29Å; V14-T18 WeakPolarHBondContact O-CB 3.41Å; V14-T18 PolarHBondContact O-N 2.85Å; V14-T18 PolarHBondContact O-OG1 3.46Å; T18-V21 PolarHBondContact O-N 2.94Å; T18-L22 HydrophobicContact CG2-CD1 3.89Å; T18-L22 VanDerWaalsContact O-CB 3.29Å; T18-L22 WeakPolarHBondContact O-CB 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.29Å; T18-L22 PolarHBondContact O-N 2.79Å
19	L	62.3	Low	59.8	Low	104 Å²	104	95.7 Å²	95.7	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-63.7	-44.5	171.2	-107.8	117	0	0	0	111.3	L15 T16 V17 V21 L22 S23	L15-L19 HydrophobicContact CD2-CD1 4.12Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 PolarHBondContact O-N 3.37Å; T16-L19 PolarHBondContact O-N 3.3Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.17Å; L19-V21 VanDerWaalsContact C-N 3.31Å; L19-V21 PolarHBondContact O-N 3.28Å; L19-L22 CarbonylContact O-C 3.57Å; L19-L22 PolarHBondContact O-N 3.49Å; L19-S23 WeakPolarHBondContact O-CA 3.14Å; L19-S23 WeakPolarHBondContact O-CB 3.31Å; L19-S23 PolarHBondContact O-N 2.89Å; L19-S23 PolarHBondContact O-OG 3.47Å
20	M	64.6	Low	60.5	Low	127 Å²	127	96.5 Å²	96.5	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-66.8	-29.8	178.3	-72	-163.9	-143.1	0	0	113.4	T16 V17 S23 S24	T16-M20 HydrophobicContact CG2-CE 4.47Å; T16-M20 WeakPolarHBondContact O-CB 3.34Å; T16-M20 VanDerWaalsContact O-CG 3.31Å; T16-M20 WeakPolarHBondContact O-CG 3.36Å; T16-M20 PolarHBondContact O-N 2.83Å; V17-M20 PolarHBondContact O-N 2.53Å; M20-S23 WeakPolarHBondContact CA-OG 3.49Å; M20-S23 CarbonylContact O-C 3.59Å; M20-S24 WeakPolarHBondContact O-CA 3.11Å; M20-S24 PolarHBondContact O-N 3.28Å; M20-S24 PolarHBondContact O-OG 3.39Å
21	V	60.9	Low	61.5	Low	101 Å²	101	95.2 Å²	95.2	61%	0.612	58%	0.579	S	S	*	*	H	α-helix	trans	-73.8	-41.3	173.3	172.1	0	0	0	0	110.8	V17 T18 L19 S24	V17-V21 HydrophobicContact CG1-CG2 4.33Å; V17-V21 WeakPolarHBondContact O-CB 3.41Å; V17-V21 VanDerWaalsContact O-CG2 3.25Å; V17-V21 WeakPolarHBondContact O-CG2 3.14Å; V17-V21 PolarHBondContact O-N 3.46Å; T18-V21 PolarHBondContact O-N 2.94Å; L19-V21 VanDerWaalsContact C-N 3.31Å; L19-V21 PolarHBondContact O-N 3.28Å; V21-S24 PolarHBondContact O-OG 3.42Å
22	L	57.2	Low	62.8	Low	144 Å²	144	97 Å²	97	75%	0.754	59%	0.588	S	S	*	*	H	α-helix	trans	-77.3	-24.6	176.5	-74.4	164.8	0	0	0	113.7	T18 L19	T18-L22 HydrophobicContact CG2-CD1 3.89Å; T18-L22 VanDerWaalsContact O-CB 3.29Å; T18-L22 WeakPolarHBondContact O-CB 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.29Å; T18-L22 PolarHBondContact O-N 2.79Å; L19-L22 CarbonylContact O-C 3.57Å; L19-L22 PolarHBondContact O-N 3.49Å
23	S	56.2	Low	64.5	Low	73 Å²	73	100.6 Å²	100.6	51%	0.51	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105	15.2	175.8	67.1	0	0	0	0	112.1	L19 M20 P25	L19-S23 WeakPolarHBondContact O-CA 3.14Å; L19-S23 WeakPolarHBondContact O-CB 3.31Å; L19-S23 PolarHBondContact O-N 2.89Å; L19-S23 PolarHBondContact O-OG 3.47Å; M20-S23 WeakPolarHBondContact CA-OG 3.49Å; M20-S23 CarbonylContact O-C 3.59Å; S23-P25 WeakPolarHBondContact O-CD 3.36Å
24	S	52.1	Low	65.9	Low	64 Å²	64	102.9 Å²	102.9	45%	0.448	61%	0.606	S	S	.	*			trans	-54.6	113.4	162	-78	0	0	0	0	105.6	M20 V21 L26	M20-S24 WeakPolarHBondContact O-CA 3.11Å; M20-S24 PolarHBondContact O-N 3.28Å; M20-S24 PolarHBondContact O-OG 3.39Å; V21-S24 PolarHBondContact O-OG 3.42Å; S24-L26 PolarHBondContact O-N 2.97Å
25	P	55.9	Low	67.1	Low	115 Å²	115	108 Å²	108	75%	0.747	62%	0.615	S	S	*	*			trans	-74	81.9	172.1	32.2	-26.8	0	0	0	103.6	S23 A27	S23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-A27 PolarHBondContact O-N 2.84Å
26	L	53.5	Low	68.5	Low	165 Å²	165	110.8 Å²	110.8	86%	0.864	62%	0.624	S	S	*	*				-60.1	75.5	129	-86.1	114.7	0	0	0	104.6	S24 L28	S24-L26 PolarHBondContact O-N 2.97Å; L26-L28 PolarHBondContact O-N 3.44Å; L26-L28 VanDerWaalsContact O-N 3.11Å
27	A	57.6	Low	70	Confident	69 Å²	69	112 Å²	112	57%	0.57	63%	0.627	S	S	*	*			trans	-38.3	124.6	149.2	0	0	0	0	0	103.3	P25 A29	P25-A27 PolarHBondContact O-N 2.84Å; A27-A29 PolarHBondContact O-N 3.19Å
28	L	56.2	Low	71.5	Confident	178 Å²	178	112.5 Å²	112.5	93%	0.932	62%	0.623	S	S	*	*			trans	-56.7	83	161.7	-149.2	85.4	0	0	0	104.2	L26 G30	L26-L28 PolarHBondContact O-N 3.44Å; L26-L28 VanDerWaalsContact O-N 3.11Å; L28-G30 PolarHBondContact O-N 2.91Å
29	A	59.7	Low	73.1	Confident	75 Å²	75	112.6 Å²	112.6	62%	0.62	62%	0.621	S	S	*	*			trans	-69.6	88.4	173.7	0	0	0	0	0	101.5	A27 D31 T32	A27-A29 PolarHBondContact O-N 3.19Å; A29-D31 PolarHBondContact O-N 2.67Å; A29-T32 HydrophobicContact CB-CG2 4.49Å
30	G	67.1	Low	74.7	Confident	54 Å²	54	112 Å²	112	56%	0.557	62%	0.618	S	S	*	*			trans	-46.5	131.8	169.4	0	0	0	0	0	106.2	L28 T32	L28-G30 PolarHBondContact O-N 2.91Å; G30-T32 VanDerWaalsContact O-CG2 3.31Å; G30-T32 WeakPolarHBondContact O-CG2 3.37Å; G30-T32 PolarHBondContact O-N 3.48Å
31	D	79.3	Confident	76.4	Confident	73 Å²	73	110 Å²	110	39%	0.39	61%	0.606	S	S	.	*			trans	-31.7	105.2	-174.7	179	13.4	0	0	0	112.8	A29 R33	A29-D31 PolarHBondContact O-N 2.67Å; D31-R33 VanDerWaalsContact CG-NE 3.27Å; D31-R33 PolarHBondContact O-N 2.9Å; D31-R33 WeakPolarHBondContact OD1-CB 3.25Å; D31-R33 WeakPolarHBondContact OD1-CG 3.46Å; D31-R33 IonicContact OD1-CZ 2.89Å; D31-R33 PolarHBondContact OD1-N 3.18Å; D31-R33 IonicContact OD1-NE 3.69Å; D31-R33 PolarHBondContact OD1-NE 3.3Å; D31-R33 IonicContact OD1-NH2 3.62Å; D31-R33 IonicContact OD2-CZ 3.19Å; D31-R33 VanDerWaalsContact OD2-CZ 3.24Å; D31-R33 IonicContact OD2-NE 3.44Å; D31-R33 PolarHBondContact OD2-NE 3.48Å; D31-R33 IonicContact OD2-NH2 3.33Å; D31-R33 PolarHBondContact OD2-NH2 3.15Å
32	T	84.3	Confident	78.1	Confident	125 Å²	125	107.7 Å²	107.7	77%	0.767	59%	0.594	S	S	*	*			trans	-85.6	9.9	-173.6	59.6	0	0	0	0	112.5	A29 G30	A29-T32 HydrophobicContact CB-CG2 4.49Å; G30-T32 VanDerWaalsContact O-CG2 3.31Å; G30-T32 WeakPolarHBondContact O-CG2 3.37Å; G30-T32 PolarHBondContact O-N 3.48Å
33	R	93.6	Very high	80.1	Confident	178 Å²	178	102.9 Å²	102.9	67%	0.672	57%	0.567	S	S	*	*	S	Bend	trans	-59.5	140.2	174.7	-73.6	179.4	-69	-179.1	0.2	109.7	D31 R35	D31-R33 VanDerWaalsContact CG-NE 3.27Å; D31-R33 PolarHBondContact O-N 2.9Å; D31-R33 WeakPolarHBondContact OD1-CB 3.25Å; D31-R33 WeakPolarHBondContact OD1-CG 3.46Å; D31-R33 IonicContact OD1-CZ 2.89Å; D31-R33 PolarHBondContact OD1-N 3.18Å; D31-R33 IonicContact OD1-NE 3.69Å; D31-R33 PolarHBondContact OD1-NE 3.3Å; D31-R33 IonicContact OD1-NH2 3.62Å; D31-R33 IonicContact OD2-CZ 3.19Å; D31-R33 VanDerWaalsContact OD2-CZ 3.24Å; D31-R33 IonicContact OD2-NE 3.44Å; D31-R33 PolarHBondContact OD2-NE 3.48Å; D31-R33 IonicContact OD2-NH2 3.33Å; D31-R33 PolarHBondContact OD2-NH2 3.15Å; R33-R35 PolarHBondContact O-N 3.42Å
34	P	92.7	Very high	82.1	Confident	103 Å²	103	101.1 Å²	101.1	67%	0.669	56%	0.555	S	S	*	*			trans	-59	136.8	175.2	26.4	-33.9	0	0	0	109.3	F36	P34-F36 HydrophobicContact CB-CE2 3.86Å; P34-F36 HydrophobicContact CB-CZ 4.02Å; P34-F36 HydrophobicContact CG-CE2 4.16Å
35	R	93.4	Very high	84.3	Confident	194 Å²	194	101.4 Å²	101.4	73%	0.732	55%	0.549	S	S	*	.			trans	-112.4	133.9	178.3	-63.5	-173.6	-176.2	-176.3	0.8	109	R33	R33-R35 PolarHBondContact O-N 3.42Å
36	F	95.4	Very high	86.4	Confident	153 Å²	153	99.5 Å²	99.5	67%	0.671	53%	0.529	S	S	*	.			trans	-121.6	134.8	174	-54.6	-84.9	0	0	0	106.7	P34	P34-F36 HydrophobicContact CB-CE2 3.86Å; P34-F36 HydrophobicContact CB-CZ 4.02Å; P34-F36 HydrophobicContact CG-CE2 4.16Å
37	L	97	Very high	88.5	Confident	101 Å²	101	96.4 Å²	96.4	53%	0.529	51%	0.509	S	S	.	.			trans	-123.3	131.9	177.8	176.7	67.2	0	0	0	108.5	N62	L37-N62 PolarHBondContact N-OD1 3.49Å; L37-N62 WeakPolarHBondContact O-CA 3.41Å; L37-N62 PolarHBondContact O-N 3.08Å
38	E	97.3	Very high	90.3	Very high	99 Å²	99	99.5 Å²	99.5	46%	0.463	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.1	171.7	-166.2	57.6	-141.1	0	0	107.9	F60 H61 Y66	E38-F60 VanDerWaalsContact CD-O 3.3Å; E38-F60 VanDerWaalsContact OE1-O 3.05Å; E38-H61 IonicContact OE2-CG 3.69Å; E38-H61 IonicContact OE2-ND1 3.78Å; E38-H61 PolarHBondContact OE2-ND1 3.01Å; E38-Y66 VanDerWaalsContact OE1-CE1 3.23Å; E38-Y66 WeakPolarHBondContact OE1-CE1 3.38Å; E38-Y66 PolarHBondContact OE1-OH 3.04Å
39	L	98	Very high	92.1	Very high	70 Å²	70	92.6 Å²	92.6	37%	0.366	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131	-175.8	177.6	70	0	0	0	110.7	K41 F60	L39-K41 HydrophobicContact CD2-CG 4.32Å; L39-K41 HydrophobicContact CG-CG 4.31Å; L39-F60 HydrophobicContact CB-CB 4.16Å; L39-F60 HydrophobicContact CD2-CD2 4.47Å; L39-F60 HydrophobicContact CG-CD2 4.45Å; L39-F60 PolarHBondContact N-O 3.49Å; L39-F60 WeakPolarHBondContact O-CD2 3.37Å; L39-F60 PolarHBondContact O-N 3.1Å
40	L	97.8	Very high	93.9	Very high	91 Å²	91	91.5 Å²	91.5	48%	0.476	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.9	170.4	-179.3	64.9	0	0	0	109.1	E57 R58 H59	L40-E57 HydrophobicContact CD1-CG 3.57Å; L40-R58 WeakPolarHBondContact CA-O 3.43Å; L40-H59 WeakPolarHBondContact CD1-CE1 3.48Å
41	K	98.4	Very high	95.3	Very high	86 Å²	86	95.7 Å²	95.7	37%	0.374	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.4	170.2	-63.6	-175	-179.7	178.8	0	110.3	L39 E43 E57 R58 F60	L39-K41 HydrophobicContact CD2-CG 4.32Å; L39-K41 HydrophobicContact CG-CG 4.31Å; K41-E43 HydrophobicContact CB-CG 4.18Å; K41-E57 CarbonylContact O-C 3.57Å; K41-E57 WeakPolarHBondContact O-CA 3.44Å; K41-R58 HydrophobicContact CB-CB 4.38Å; K41-R58 PolarHBondContact N-O 2.94Å; K41-R58 PolarHBondContact O-N 2.94Å; K41-F60 HydrophobicContact CB-CE2 4.2Å; K41-F60 HydrophobicContact CD-CE2 3.78Å; K41-F60 HydrophobicContact CD-CZ 4.14Å; K41-F60 HydrophobicContact CG-CD2 4.48Å; K41-F60 HydrophobicContact CG-CE2 3.89Å
42	S	98.2	Very high	96.2	Very high	52 Å²	52	99.1 Å²	99.1	36%	0.364	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108	167.4	-58	0	0	0	0	108.1	L56	S42-L56 CarbonylContact C-O 3.52Å; S42-L56 WeakPolarHBondContact CA-O 3.47Å
43	E	98.6	Very high	96.9	Very high	42 Å²	42	93.6 Å²	93.6	20%	0.196	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.7	-174.7	-50.9	177.2	-173.6	0	0	110.1	K41 H45 F55 L56 R58	K41-E43 HydrophobicContact CB-CG 4.18Å; E43-H45 IonicContact OE2-CE1 2.63Å; E43-H45 IonicContact OE2-NE2 2.79Å; E43-H45 PolarHBondContact OE2-NE2 3.45Å; E43-F55 WeakPolarHBondContact O-CA 3.34Å; E43-L56 HydrophobicContact CB-CB 4.23Å; E43-L56 PolarHBondContact N-O 3.11Å; E43-L56 PolarHBondContact O-N 3.2Å; E43-R58 WeakPolarHBondContact OE1-CD 3.12Å; E43-R58 IonicContact OE1-CZ 3.8Å; E43-R58 IonicContact OE1-NE 3.46Å; E43-R58 IonicContact OE1-NH1 2.72Å; E43-R58 PolarHBondContact OE1-NH1 3.26Å; E43-R58 IonicContact OE2-NH1 3.56Å
44	C	98.6	Very high	97.1	Very high	37 Å²	37	88.6 Å²	88.6	25%	0.25	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.7	171.4	-65.2	0	0	0	0	108.6	F46 Y107 C108	C44-F46 HydrophobicContact CB-CD2 4.41Å; C44-F46 HydrophobicContact CB-CE1 4.47Å; C44-F46 HydrophobicContact CB-CE2 3.53Å; C44-F46 HydrophobicContact CB-CZ 3.56Å; C44-F46 WeakPolarHBondContact O-CD2 3.46Å; C44-F46 WeakPolarHBondContact O-CE2 3.21Å; C44-Y107 VanDerWaalsContact SG-CD1 3.57Å; C44-C108 HydrophobicContact CB-CB 3.6Å; C44-C108 WeakPolarHBondContact CB-SG 3.29Å; C44-C108 WeakPolarHBondContact SG-CA 3.47Å; C44-C108 WeakPolarHBondContact SG-CB 3.4Å; C44-C108 CovalentContact SG-SG 2.04Å; C44-C108 PolarHBondContact SG-SG 3.04Å
45	H	98.4	Very high	97.4	Very high	70 Å²	70	83.8 Å²	83.8	32%	0.324	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.1	178.7	-64.3	-102.5	0	0	0	108.8	E43 F47 V53 R54	E43-H45 IonicContact OE2-CE1 2.63Å; E43-H45 IonicContact OE2-NE2 2.79Å; E43-H45 PolarHBondContact OE2-NE2 3.45Å; H45-F47 HydrophobicContact CB-CE2 3.8Å; H45-F47 HydrophobicContact CB-CZ 4.01Å; H45-V53 WeakPolarHBondContact O-CA 3.44Å; H45-R54 HydrophobicContact CB-CB 4.31Å; H45-R54 PolarHBondContact N-O 3.33Å; H45-R54 PolarHBondContact O-N 3.19Å
46	F	98.4	Very high	97.6	Very high	74 Å²	74	74.9 Å²	74.9	33%	0.325	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.8	-174.1	-62.7	-79.3	0	0	0	110.4	C44 G49 T50 V53 C108 Y112	C44-F46 HydrophobicContact CB-CD2 4.41Å; C44-F46 HydrophobicContact CB-CE1 4.47Å; C44-F46 HydrophobicContact CB-CE2 3.53Å; C44-F46 HydrophobicContact CB-CZ 3.56Å; C44-F46 WeakPolarHBondContact O-CD2 3.46Å; C44-F46 WeakPolarHBondContact O-CE2 3.21Å; F46-G49 WeakPolarHBondContact CB-O 3.49Å; F46-T50 HydrophobicContact CD1-CG2 4.19Å; F46-T50 HydrophobicContact CE1-CG2 4.39Å; F46-V53 HydrophobicContact CD1-CG1 4.22Å; F46-V53 HydrophobicContact CD1-CG2 3.84Å; F46-V53 HydrophobicContact CE1-CG1 4.05Å; F46-V53 HydrophobicContact CE1-CG2 4.16Å; F46-C108 HydrophobicContact CE1-CB 4.14Å; F46-C108 HydrophobicContact CZ-CB 4.06Å; F46-C108 WeakPolarHBondContact CZ-O 3.35Å; F46-Y112 HydrophobicContact CB-CE2 4.47Å; F46-Y112 AromaticContact CD1-CD2 3.57Å; F46-Y112 HydrophobicContact CD1-CD2 3.57Å; F46-Y112 HydrophobicContact CD1-CE2 4.22Å; F46-Y112 HydrophobicContact CD1-CG 4.26Å; F46-Y112 HydrophobicContact CD2-CD2 4.07Å; F46-Y112 AromaticContact CE1-CD2 3.66Å; F46-Y112 HydrophobicContact CE1-CD2 3.66Å; F46-Y112 HydrophobicContact CE1-CG 4Å; F46-Y112 HydrophobicContact CE2-CD2 4.13Å; F46-Y112 AromaticContact CG-CD2 3.8Å; F46-Y112 HydrophobicContact CG-CD2 3.8Å; F46-Y112 HydrophobicContact CG-CE2 4.2Å; F46-Y112 AromaticContact CZ-CD2 3.94Å; F46-Y112 HydrophobicContact CZ-CD2 3.94Å; F46-Y112 HydrophobicContact CZ-CG 4.35Å
47	F	97.7	Very high	97.8	Very high	100 Å²	100	68.1 Å²	68.1	44%	0.439	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.6	179.1	-53.5	-88.4	0	0	0	109.5	H45 R52 R54	H45-F47 HydrophobicContact CB-CE2 3.8Å; H45-F47 HydrophobicContact CB-CZ 4.01Å; F47-R52 HydrophobicContact CB-CB 4.2Å; F47-R52 HydrophobicContact CD2-CB 4.47Å; F47-R52 HydrophobicContact CD2-CG 4.14Å; F47-R52 PolarHBondContact N-O 2.89Å; F47-R52 PolarHBondContact O-N 2.95Å; F47-R54 HydrophobicContact CE2-CB 4.46Å
48	N	96.4	Very high	97.9	Very high	135 Å²	135	65.9 Å²	65.9	72%	0.722	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	58.7	-174.8	-162.8	29.7	0	0	0	112.3	T50 E51	N48-T50 PolarHBondContact O-N 3Å; N48-E51 PolarHBondContact ND2-OE2 2.86Å
49	G	94.6	Very high	97.9	Very high	33 Å²	33	62.3 Å²	62.3	34%	0.34	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-124.7	-169.1	0	0	0	0	0	110.8	F46	F46-G49 WeakPolarHBondContact CB-O 3.49Å
50	T	97.4	Very high	97.9	Very high	52 Å²	52	59.8 Å²	59.8	32%	0.319	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	13.3	-178.9	56.1	0	0	0	0	113.6	F46 N48 V53 R109 Y112	F46-T50 HydrophobicContact CD1-CG2 4.19Å; F46-T50 HydrophobicContact CE1-CG2 4.39Å; N48-T50 PolarHBondContact O-N 3Å; T50-V53 WeakPolarHBondContact O-CG2 3.35Å; T50-R109 HydrophobicContact CG2-CG 4.5Å; T50-R109 PolarHBondContact O-NE 2.92Å; T50-R109 PolarHBondContact O-NH2 3.31Å; T50-Y112 HydrophobicContact CG2-CD1 3.37Å; T50-Y112 HydrophobicContact CG2-CD2 3.89Å; T50-Y112 HydrophobicContact CG2-CE1 3.72Å; T50-Y112 HydrophobicContact CG2-CE2 4.18Å; T50-Y112 HydrophobicContact CG2-CG 3.47Å; T50-Y112 VanDerWaalsContact CG2-CG 3.47Å
51	E	96.3	Very high	97.9	Very high	141 Å²	141	58.4 Å²	58.4	66%	0.659	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-58.6	179.2	-174.7	-177.7	177.2	0	0	110.4	N48 R109	N48-E51 PolarHBondContact ND2-OE2 2.86Å; E51-R109 PolarHBondContact O-NH2 2.86Å
52	R	97.8	Very high	97.8	Very high	145 Å²	145	57.3 Å²	57.3	55%	0.547	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127	170.1	179.6	178.7	179.8	169.5	0.8	109.7	F47 D72	F47-R52 HydrophobicContact CB-CB 4.2Å; F47-R52 HydrophobicContact CD2-CB 4.47Å; F47-R52 HydrophobicContact CD2-CG 4.14Å; F47-R52 PolarHBondContact N-O 2.89Å; F47-R52 PolarHBondContact O-N 2.95Å; R52-D72 IonicContact NH2-OD2 2.69Å; R52-D72 PolarHBondContact NH2-OD2 3.37Å; R52-D72 VanDerWaalsContact NH2-OD2 3.1Å
53	V	98.5	Very high	97.6	Very high	9 Å²	9	64 Å²	64	6%	0.055	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.1	179.2	-178.8	0	0	0	0	108.6	H45 F46 T50 V104 C108 R109	H45-V53 WeakPolarHBondContact O-CA 3.44Å; F46-V53 HydrophobicContact CD1-CG1 4.22Å; F46-V53 HydrophobicContact CD1-CG2 3.84Å; F46-V53 HydrophobicContact CE1-CG1 4.05Å; F46-V53 HydrophobicContact CE1-CG2 4.16Å; T50-V53 WeakPolarHBondContact O-CG2 3.35Å; V53-V104 HydrophobicContact CB-CG1 3.67Å; V53-V104 HydrophobicContact CG1-CG1 3.82Å; V53-C108 HydrophobicContact CG1-CB 3.51Å; V53-R109 HydrophobicContact CG2-CG 3.99Å
54	R	98.5	Very high	97.6	Very high	73 Å²	73	66.7 Å²	66.7	28%	0.275	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.2	174.1	-178.9	-177.1	179.4	-164.2	7.2	109.6	H45 F47 L56 D70 S71	H45-R54 HydrophobicContact CB-CB 4.31Å; H45-R54 PolarHBondContact N-O 3.33Å; H45-R54 PolarHBondContact O-N 3.19Å; F47-R54 HydrophobicContact CE2-CB 4.46Å; R54-L56 HydrophobicContact CG-CD2 4.44Å; R54-D70 IonicContact CZ-OD1 2.65Å; R54-D70 IonicContact CZ-OD2 3.51Å; R54-D70 IonicContact NE-OD1 3.86Å; R54-D70 PolarHBondContact NE-OD1 2.94Å; R54-D70 IonicContact NE-OD2 3.64Å; R54-D70 PolarHBondContact NE-OD2 3.48Å; R54-D70 IonicContact NH2-OD1 3.59Å; R54-D70 IonicContact NH2-OD2 3.68Å; R54-D70 PolarHBondContact NH2-OD2 2.98Å; R54-S71 WeakPolarHBondContact CA-OG 3.34Å
55	F	98.8	Very high	97.6	Very high	2 Å²	2	66 Å²	66	1%	0.009	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.3	174.9	173.9	-106.9	0	0	0	109.8	E43 E57 F69 S71 K100 Q103 V104 Y107	E43-F55 WeakPolarHBondContact O-CA 3.34Å; F55-E57 HydrophobicContact CE1-CB 4.02Å; F55-E57 HydrophobicContact CZ-CB 3.97Å; F55-F69 AromaticContact CD1-CD1 3.87Å; F55-F69 HydrophobicContact CD1-CD1 3.87Å; F55-F69 HydrophobicContact CD1-CE1 4.01Å; F55-F69 HydrophobicContact CE1-CD1 4.01Å; F55-F69 HydrophobicContact CE1-CE1 4.43Å; F55-S71 PolarHBondContact N-OG 3.36Å; F55-S71 PolarHBondContact O-N 3.47Å; F55-S71 PolarHBondContact O-OG 2.97Å; F55-K100 HydrophobicContact CE1-CD 4.44Å; F55-Q103 HydrophobicContact CB-CB 4.49Å; F55-Q103 HydrophobicContact CD1-CB 3.56Å; F55-Q103 HydrophobicContact CD1-CG 4.15Å; F55-Q103 HydrophobicContact CD2-CB 4Å; F55-Q103 HydrophobicContact CE1-CB 3.64Å; F55-Q103 HydrophobicContact CE1-CG 3.73Å; F55-Q103 HydrophobicContact CE2-CB 4.05Å; F55-Q103 HydrophobicContact CE2-CG 4.46Å; F55-Q103 HydrophobicContact CG-CB 3.74Å; F55-Q103 HydrophobicContact CZ-CB 3.88Å; F55-Q103 HydrophobicContact CZ-CG 3.89Å; F55-V104 HydrophobicContact CB-CG2 4.03Å; F55-Y107 HydrophobicContact CD2-CD1 4.34Å; F55-Y107 HydrophobicContact CE2-CD1 4.06Å; F55-Y107 HydrophobicContact CE2-CE1 4.36Å
56	L	98.6	Very high	97.6	Very high	8 Å²	8	63.8 Å²	63.8	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.1	171.8	-61.3	177.2	0	0	0	109.2	S42 E43 R54 R58 F69 D70	S42-L56 CarbonylContact C-O 3.52Å; S42-L56 WeakPolarHBondContact CA-O 3.47Å; E43-L56 HydrophobicContact CB-CB 4.23Å; E43-L56 PolarHBondContact N-O 3.11Å; E43-L56 PolarHBondContact O-N 3.2Å; R54-L56 HydrophobicContact CG-CD2 4.44Å; L56-R58 HydrophobicContact CB-CG 4.19Å; L56-F69 WeakPolarHBondContact CA-O 3.32Å; L56-D70 HydrophobicContact CD2-CB 3.63Å; L56-D70 WeakPolarHBondContact CD2-OD1 3.29Å
57	E	98.6	Very high	97.6	Very high	11 Å²	11	60.3 Å²	60.3	5%	0.051	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.7	164	-175.1	177.9	99	0	0	108.5	L40 K41 F55 H59 R68 F69 Y76 K100	L40-E57 HydrophobicContact CD1-CG 3.57Å; K41-E57 CarbonylContact O-C 3.57Å; K41-E57 WeakPolarHBondContact O-CA 3.44Å; F55-E57 HydrophobicContact CE1-CB 4.02Å; F55-E57 HydrophobicContact CZ-CB 3.97Å; E57-H59 IonicContact OE1-CE1 3.74Å; E57-H59 IonicContact OE1-NE2 3.7Å; E57-H59 PolarHBondContact OE1-NE2 3Å; E57-R68 CarbonylContact O-C 3.59Å; E57-R68 WeakPolarHBondContact O-CA 3.48Å; E57-F69 HydrophobicContact CB-CB 4.2Å; E57-F69 PolarHBondContact N-O 3.32Å; E57-F69 PolarHBondContact O-N 3.08Å; E57-Y76 PolarHBondContact OE1-OH 3.12Å; E57-K100 IonicContact OE1-NZ 3.5Å; E57-K100 IonicContact OE2-NZ 3.69Å; E57-K100 PolarHBondContact OE2-NZ 2.87Å
58	R	98.6	Very high	97.6	Very high	54 Å²	54	58.9 Å²	58.9	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.6	-170	-56.3	174.8	71.5	-168.3	2.6	110.1	L40 K41 E43 L56 F60 E65 R68	L40-R58 WeakPolarHBondContact CA-O 3.43Å; K41-R58 HydrophobicContact CB-CB 4.38Å; K41-R58 PolarHBondContact N-O 2.94Å; K41-R58 PolarHBondContact O-N 2.94Å; E43-R58 WeakPolarHBondContact OE1-CD 3.12Å; E43-R58 IonicContact OE1-CZ 3.8Å; E43-R58 IonicContact OE1-NE 3.46Å; E43-R58 IonicContact OE1-NH1 2.72Å; E43-R58 PolarHBondContact OE1-NH1 3.26Å; E43-R58 IonicContact OE2-NH1 3.56Å; L56-R58 HydrophobicContact CB-CG 4.19Å; R58-F60 HydrophobicContact CB-CD2 4.35Å; R58-F60 HydrophobicContact CB-CE2 3.46Å; R58-F60 VanDerWaalsContact CB-CE2 3.46Å; R58-F60 HydrophobicContact CB-CZ 3.92Å; R58-E65 WeakPolarHBondContact CG-OE1 3.09Å; R58-E65 IonicContact CZ-OE1 3.09Å; R58-E65 IonicContact CZ-OE2 2.97Å; R58-E65 VanDerWaalsContact NE-CD 3.29Å; R58-E65 IonicContact NE-OE1 3.1Å; R58-E65 PolarHBondContact NE-OE1 2.97Å; R58-E65 IonicContact NE-OE2 3.71Å; R58-E65 PolarHBondContact NE-OE2 3.27Å; R58-E65 IonicContact NH2-OE1 2.67Å; R58-E65 IonicContact NH2-OE2 2.95Å; R58-E65 PolarHBondContact NH2-OE2 3.38Å; R58-R68 HydrophobicContact CG-CG 4.11Å
59	H	98.4	Very high	97.7	Very high	23 Å²	23	52.5 Å²	52.5	11%	0.106	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131	-178	-62.7	-105.5	0	0	0	109.9	L40 E57 E65 Y66 A67 Y76 W90	L40-H59 WeakPolarHBondContact CD1-CE1 3.48Å; E57-H59 IonicContact OE1-CE1 3.74Å; E57-H59 IonicContact OE1-NE2 3.7Å; E57-H59 PolarHBondContact OE1-NE2 3Å; H59-E65 CarbonylContact O-C 3.48Å; H59-E65 WeakPolarHBondContact O-CA 3.16Å; H59-Y66 HydrophobicContact CB-CD1 4.32Å; H59-Y66 HydrophobicContact CB-CD2 4.49Å; H59-Y66 HydrophobicContact CB-CE1 3.65Å; H59-Y66 HydrophobicContact CB-CE2 3.87Å; H59-Y66 VanDerWaalsContact CB-CZ 3.43Å; H59-Y66 WeakPolarHBondContact O-CD1 3.16Å; H59-Y66 PolarHBondContact O-N 3.01Å; H59-A67 PolarHBondContact N-O 3.47Å; H59-Y76 AromaticContact NE2-CE1 3.96Å; H59-W90 AromaticContact CD2-CH2 3.9Å; H59-W90 AromaticContact CD2-CZ3 3.86Å; H59-W90 AromaticContact CE1-CH2 3.58Å; H59-W90 AromaticContact CG-CH2 3.85Å; H59-W90 AromaticContact ND1-CH2 3.67Å; H59-W90 AromaticContact NE2-CH2 3.75Å; H59-W90 AromaticContact NE2-CZ3 3.83Å
60	F	98.4	Very high	97.9	Very high	18 Å²	18	51.7 Å²	51.7	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.9	-173.9	-58.4	-103.3	0	0	0	111.5	E38 L39 K41 R58 E64 E65	E38-F60 VanDerWaalsContact CD-O 3.3Å; E38-F60 VanDerWaalsContact OE1-O 3.05Å; L39-F60 HydrophobicContact CB-CB 4.16Å; L39-F60 HydrophobicContact CD2-CD2 4.47Å; L39-F60 HydrophobicContact CG-CD2 4.45Å; L39-F60 PolarHBondContact N-O 3.49Å; L39-F60 WeakPolarHBondContact O-CD2 3.37Å; L39-F60 PolarHBondContact O-N 3.1Å; K41-F60 HydrophobicContact CB-CE2 4.2Å; K41-F60 HydrophobicContact CD-CE2 3.78Å; K41-F60 HydrophobicContact CD-CZ 4.14Å; K41-F60 HydrophobicContact CG-CD2 4.48Å; K41-F60 HydrophobicContact CG-CE2 3.89Å; R58-F60 HydrophobicContact CB-CD2 4.35Å; R58-F60 HydrophobicContact CB-CE2 3.46Å; R58-F60 VanDerWaalsContact CB-CE2 3.46Å; R58-F60 HydrophobicContact CB-CZ 3.92Å; F60-E64 VanDerWaalsContact CA-O 3.27Å; F60-E64 WeakPolarHBondContact CA-O 3.48Å; F60-E65 HydrophobicContact CD1-CB 3.69Å; F60-E65 HydrophobicContact CD1-CG 4.41Å; F60-E65 HydrophobicContact CE1-CB 3.54Å; F60-E65 HydrophobicContact CE1-CG 4.1Å; F60-E65 HydrophobicContact CG-CB 4.44Å; F60-E65 HydrophobicContact CZ-CB 4.2Å; F60-E65 HydrophobicContact CZ-CG 4.25Å
61	H	97.5	Very high	98	Very high	61 Å²	61	50.5 Å²	50.5	28%	0.282	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.6	164.5	-166.3	67.4	0	0	0	108.6	E38 Q63 E64 Y66 L82	E38-H61 IonicContact OE2-CG 3.69Å; E38-H61 IonicContact OE2-ND1 3.78Å; E38-H61 PolarHBondContact OE2-ND1 3.01Å; H61-Q63 PolarHBondContact O-N 2.98Å; H61-E64 PolarHBondContact N-O 3.49Å; H61-E64 PolarHBondContact O-N 3Å; H61-Y66 HydrophobicContact CB-CD1 4.06Å; H61-Y66 HydrophobicContact CB-CE1 4.35Å; H61-L82 HydrophobicContact CB-CD2 3.95Å
62	N	95.6	Very high	98.1	Very high	63 Å²	63	47.9 Å²	47.9	34%	0.337	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-102.8	-167	-56	-54.4	0	0	0	112.2	L37	L37-N62 PolarHBondContact N-OD1 3.49Å; L37-N62 WeakPolarHBondContact O-CA 3.41Å; L37-N62 PolarHBondContact O-N 3.08Å
63	Q	95	Very high	98.1	Very high	192 Å²	192	44.8 Å²	44.8	90%	0.897	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	3.1	177.2	-64.3	179.9	-0.9	0	0	112	H61	H61-Q63 PolarHBondContact O-N 2.98Å
64	E	97.4	Very high	98	Very high	99 Å²	99	44.9 Å²	44.9	46%	0.463	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.8	-174.7	-175.7	163.1	-151.5	0	0	110.7	F60 H61 Y66 R80	F60-E64 VanDerWaalsContact CA-O 3.27Å; F60-E64 WeakPolarHBondContact CA-O 3.48Å; H61-E64 PolarHBondContact N-O 3.49Å; H61-E64 PolarHBondContact O-N 3Å; E64-Y66 PolarHBondContact O-N 3.34Å; E64-R80 HydrophobicContact CG-CG 3.92Å; E64-R80 VanDerWaalsContact OE1-CD 3.26Å; E64-R80 WeakPolarHBondContact OE1-CD 3.03Å; E64-R80 WeakPolarHBondContact OE1-CG 3.36Å; E64-R80 IonicContact OE1-CZ 3.31Å; E64-R80 IonicContact OE1-NE 3.72Å; E64-R80 PolarHBondContact OE1-NE 2.73Å; E64-R80 IonicContact OE1-NH2 2.76Å
65	E	98.4	Very high	98	Very high	24 Å²	24	44 Å²	44	11%	0.112	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	121.6	171.2	-172.4	178.6	-170.5	0	0	109.2	R58 H59 F60 R68 V79 R80	R58-E65 WeakPolarHBondContact CG-OE1 3.09Å; R58-E65 IonicContact CZ-OE1 3.09Å; R58-E65 IonicContact CZ-OE2 2.97Å; R58-E65 VanDerWaalsContact NE-CD 3.29Å; R58-E65 IonicContact NE-OE1 3.1Å; R58-E65 PolarHBondContact NE-OE1 2.97Å; R58-E65 IonicContact NE-OE2 3.71Å; R58-E65 PolarHBondContact NE-OE2 3.27Å; R58-E65 IonicContact NH2-OE1 2.67Å; R58-E65 IonicContact NH2-OE2 2.95Å; R58-E65 PolarHBondContact NH2-OE2 3.38Å; H59-E65 CarbonylContact O-C 3.48Å; H59-E65 WeakPolarHBondContact O-CA 3.16Å; F60-E65 HydrophobicContact CD1-CB 3.69Å; F60-E65 HydrophobicContact CD1-CG 4.41Å; F60-E65 HydrophobicContact CE1-CB 3.54Å; F60-E65 HydrophobicContact CE1-CG 4.1Å; F60-E65 HydrophobicContact CG-CB 4.44Å; F60-E65 HydrophobicContact CZ-CB 4.2Å; F60-E65 HydrophobicContact CZ-CG 4.25Å; E65-R68 WeakPolarHBondContact OE1-CB 3.39Å; E65-R68 WeakPolarHBondContact OE1-CD 3.33Å; E65-R68 IonicContact OE1-CZ 3.58Å; E65-R68 IonicContact OE1-NE 2.64Å; E65-R68 PolarHBondContact OE1-NE 3.14Å; E65-R68 IonicContact OE1-NH2 3.38Å; E65-R68 IonicContact OE2-NH2 2.77Å; E65-V79 HydrophobicContact CB-CG1 4.4Å; E65-V79 HydrophobicContact CG-CB 4.3Å; E65-V79 HydrophobicContact CG-CG1 4.38Å; E65-V79 HydrophobicContact CG-CG2 4Å; E65-V79 WeakPolarHBondContact O-CB 3.41Å; E65-R80 WeakPolarHBondContact O-CG 3.44Å
66	Y	98.4	Very high	98	Very high	23 Å²	23	44.1 Å²	44.1	9%	0.09	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-31	-177.6	67.4	-97.6	0	0	0	113.3	E38 H59 H61 E64 V79 R80 L82 G83 D86 W90	E38-Y66 VanDerWaalsContact OE1-CE1 3.23Å; E38-Y66 WeakPolarHBondContact OE1-CE1 3.38Å; E38-Y66 PolarHBondContact OE1-OH 3.04Å; H59-Y66 HydrophobicContact CB-CD1 4.32Å; H59-Y66 HydrophobicContact CB-CD2 4.49Å; H59-Y66 HydrophobicContact CB-CE1 3.65Å; H59-Y66 HydrophobicContact CB-CE2 3.87Å; H59-Y66 VanDerWaalsContact CB-CZ 3.43Å; H59-Y66 WeakPolarHBondContact O-CD1 3.16Å; H59-Y66 PolarHBondContact O-N 3.01Å; H61-Y66 HydrophobicContact CB-CD1 4.06Å; H61-Y66 HydrophobicContact CB-CE1 4.35Å; E64-Y66 PolarHBondContact O-N 3.34Å; Y66-V79 PolarHBondContact O-N 2.89Å; Y66-R80 PolarHBondContact O-N 3.36Å; Y66-L82 HydrophobicContact CD1-CD2 4.44Å; Y66-L82 HydrophobicContact CG-CD2 4.33Å; Y66-G83 WeakPolarHBondContact O-CA 3.26Å; Y66-D86 WeakPolarHBondContact CE2-OD2 3.21Å; Y66-W90 HydrophobicContact CE2-CH2 4.45Å
67	A	98.5	Very high	98	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.5	178.1	0	0	0	0	0	111.4	H59 R77 W90	H59-A67 PolarHBondContact N-O 3.47Å; A67-R77 WeakPolarHBondContact CA-O 3.45Å; A67-W90 HydrophobicContact CB-CH2 4.45Å; A67-W90 HydrophobicContact CB-CZ3 3.78Å
68	R	98.7	Very high	98	Very high	71 Å²	71	52.4 Å²	52.4	27%	0.268	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	137.8	-178.8	166.9	175.9	34.5	-174.9	-14.3	112.6	E57 R58 E65 Y76 R77 V79	E57-R68 CarbonylContact O-C 3.59Å; E57-R68 WeakPolarHBondContact O-CA 3.48Å; R58-R68 HydrophobicContact CG-CG 4.11Å; E65-R68 WeakPolarHBondContact OE1-CB 3.39Å; E65-R68 WeakPolarHBondContact OE1-CD 3.33Å; E65-R68 IonicContact OE1-CZ 3.58Å; E65-R68 IonicContact OE1-NE 2.64Å; E65-R68 PolarHBondContact OE1-NE 3.14Å; E65-R68 IonicContact OE1-NH2 3.38Å; E65-R68 IonicContact OE2-NH2 2.77Å; R68-Y76 CarbonylContact O-C 3.51Å; R68-Y76 VanDerWaalsContact O-CA 3.29Å; R68-Y76 WeakPolarHBondContact O-CA 3.4Å; R68-R77 PolarHBondContact N-O 2.88Å; R68-R77 PolarHBondContact O-N 3.42Å; R68-V79 HydrophobicContact CB-CG2 4.05Å
69	F	98.8	Very high	98	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.5	159.2	-179.3	-88.5	0	0	0	109.5	F55 L56 E57 Y76 L97 K100 R101	F55-F69 AromaticContact CD1-CD1 3.87Å; F55-F69 HydrophobicContact CD1-CD1 3.87Å; F55-F69 HydrophobicContact CD1-CE1 4.01Å; F55-F69 HydrophobicContact CE1-CD1 4.01Å; F55-F69 HydrophobicContact CE1-CE1 4.43Å; L56-F69 WeakPolarHBondContact CA-O 3.32Å; E57-F69 HydrophobicContact CB-CB 4.2Å; E57-F69 PolarHBondContact N-O 3.32Å; E57-F69 PolarHBondContact O-N 3.08Å; F69-Y76 HydrophobicContact CB-CD1 3.68Å; F69-Y76 HydrophobicContact CB-CD2 4.25Å; F69-Y76 HydrophobicContact CB-CE1 3.53Å; F69-Y76 HydrophobicContact CB-CE2 4.11Å; F69-Y76 HydrophobicContact CB-CG 4.05Å; F69-Y76 AromaticContact CD2-CD2 3.96Å; F69-Y76 HydrophobicContact CD2-CD2 3.96Å; F69-Y76 AromaticContact CD2-CE2 3.96Å; F69-Y76 HydrophobicContact CD2-CE2 3.96Å; F69-Y76 HydrophobicContact CD2-CG 4.4Å; F69-Y76 HydrophobicContact CG-CE2 4.4Å; F69-L97 HydrophobicContact CD2-CD2 4.39Å; F69-L97 HydrophobicContact CE2-CD2 4.17Å; F69-K100 HydrophobicContact CD1-CB 3.98Å; F69-K100 HydrophobicContact CD2-CB 3.76Å; F69-K100 HydrophobicContact CD2-CG 4.39Å; F69-K100 HydrophobicContact CE1-CB 3.74Å; F69-K100 WeakPolarHBondContact CE1-O 3.16Å; F69-K100 HydrophobicContact CE2-CB 3.5Å; F69-K100 HydrophobicContact CG-CB 4Å; F69-K100 VanDerWaalsContact CZ-C 3.49Å; F69-K100 HydrophobicContact CZ-CB 3.5Å; F69-R101 HydrophobicContact CZ-CG 4.02Å
70	D	98.6	Very high	97.9	Very high	17 Å²	17	57.7 Å²	57.7	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	123.4	175.5	-175	-10.1	0	0	0	109.4	R54 L56 D72 V73 G74	R54-D70 IonicContact CZ-OD1 2.65Å; R54-D70 IonicContact CZ-OD2 3.51Å; R54-D70 IonicContact NE-OD1 3.86Å; R54-D70 PolarHBondContact NE-OD1 2.94Å; R54-D70 IonicContact NE-OD2 3.64Å; R54-D70 PolarHBondContact NE-OD2 3.48Å; R54-D70 IonicContact NH2-OD1 3.59Å; R54-D70 IonicContact NH2-OD2 3.68Å; R54-D70 PolarHBondContact NH2-OD2 2.98Å; L56-D70 HydrophobicContact CD2-CB 3.63Å; L56-D70 WeakPolarHBondContact CD2-OD1 3.29Å; D70-D72 PolarHBondContact O-N 3.27Å; D70-D72 PolarHBondContact OD1-N 3.47Å; D70-V73 HydrophobicContact CB-CB 4.19Å; D70-V73 HydrophobicContact CB-CG2 3.95Å; D70-V73 CarbonylContact O-C 3.57Å; D70-V73 PolarHBondContact O-N 3.49Å; D70-G74 PolarHBondContact O-N 3.1Å
71	S	98.4	Very high	97.9	Very high	27 Å²	27	63.2 Å²	63.2	19%	0.189	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.8	-179.6	61.7	0	0	0	0	113.4	R54 F55 V73	R54-S71 WeakPolarHBondContact CA-OG 3.34Å; F55-S71 PolarHBondContact N-OG 3.36Å; F55-S71 PolarHBondContact O-N 3.47Å; F55-S71 PolarHBondContact O-OG 2.97Å; S71-V73 PolarHBondContact O-N 3.27Å
72	D	98	Very high	97.8	Very high	86 Å²	86	65.3 Å²	65.3	46%	0.46	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18	177.3	-73.3	9.5	0	0	0	111.4	R52 D70	R52-D72 IonicContact NH2-OD2 2.69Å; R52-D72 PolarHBondContact NH2-OD2 3.37Å; R52-D72 VanDerWaalsContact NH2-OD2 3.1Å; D70-D72 PolarHBondContact O-N 3.27Å; D70-D72 PolarHBondContact OD1-N 3.47Å
73	V	98.2	Very high	97.9	Very high	80 Å²	80	62.3 Å²	62.3	49%	0.485	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-37.5	176.4	-176.1	0	0	0	0	111.5	D70 S71 E75 R77	D70-V73 HydrophobicContact CB-CB 4.19Å; D70-V73 HydrophobicContact CB-CG2 3.95Å; D70-V73 CarbonylContact O-C 3.57Å; D70-V73 PolarHBondContact O-N 3.49Å; S71-V73 PolarHBondContact O-N 3.27Å; V73-E75 HydrophobicContact CG1-CG 4.05Å; V73-R77 HydrophobicContact CG1-CG 4.47Å
74	G	97.8	Very high	98.1	Very high	10 Å²	10	58.9 Å²	58.9	10%	0.103	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	11.6	175.9	0	0	0	0	0	115.8	D70 R101	D70-G74 PolarHBondContact O-N 3.1Å; G74-R101 PolarHBondContact O-NE 2.76Å; G74-R101 PolarHBondContact O-NH2 2.95Å
75	E	98.4	Very high	98.1	Very high	56 Å²	56	58 Å²	58	26%	0.262	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	169.4	178.4	62.2	-179.2	-166.5	0	0	111.8	V73 R77 L97	V73-E75 HydrophobicContact CG1-CG 4.05Å; E75-R77 IonicContact OE1-CZ 2.75Å; E75-R77 IonicContact OE1-NE 2.7Å; E75-R77 PolarHBondContact OE1-NE 3.43Å; E75-R77 IonicContact OE1-NH2 3.14Å; E75-R77 PolarHBondContact OE1-NH2 2.98Å; E75-L97 HydrophobicContact CB-CD2 4.2Å
76	Y	98.6	Very high	98.1	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	138.8	172.8	-72	-92.7	0	0	0	111.1	E57 H59 R68 F69 W90 N91 L96 L97 K100	E57-Y76 PolarHBondContact OE1-OH 3.12Å; H59-Y76 AromaticContact NE2-CE1 3.96Å; R68-Y76 CarbonylContact O-C 3.51Å; R68-Y76 VanDerWaalsContact O-CA 3.29Å; R68-Y76 WeakPolarHBondContact O-CA 3.4Å; F69-Y76 HydrophobicContact CB-CD1 3.68Å; F69-Y76 HydrophobicContact CB-CD2 4.25Å; F69-Y76 HydrophobicContact CB-CE1 3.53Å; F69-Y76 HydrophobicContact CB-CE2 4.11Å; F69-Y76 HydrophobicContact CB-CG 4.05Å; F69-Y76 AromaticContact CD2-CD2 3.96Å; F69-Y76 HydrophobicContact CD2-CD2 3.96Å; F69-Y76 AromaticContact CD2-CE2 3.96Å; F69-Y76 HydrophobicContact CD2-CE2 3.96Å; F69-Y76 HydrophobicContact CD2-CG 4.4Å; F69-Y76 HydrophobicContact CG-CE2 4.4Å; Y76-W90 HydrophobicContact CD1-CD2 4.38Å; Y76-W90 AromaticContact CD1-CE3 3.32Å; Y76-W90 HydrophobicContact CD1-CE3 3.32Å; Y76-W90 AromaticContact CD1-CZ3 3.72Å; Y76-W90 HydrophobicContact CD1-CZ3 3.72Å; Y76-W90 HydrophobicContact CD2-CB 3.73Å; Y76-W90 HydrophobicContact CD2-CE3 4.25Å; Y76-W90 HydrophobicContact CE1-CD2 4.39Å; Y76-W90 AromaticContact CE1-CE3 3.56Å; Y76-W90 HydrophobicContact CE1-CE3 3.56Å; Y76-W90 AromaticContact CE1-CZ3 3.82Å; Y76-W90 HydrophobicContact CE1-CZ3 3.82Å; Y76-W90 HydrophobicContact CE2-CB 4.03Å; Y76-W90 HydrophobicContact CE2-CE3 4.45Å; Y76-W90 HydrophobicContact CG-CB 4.17Å; Y76-W90 AromaticContact CG-CE3 3.7Å; Y76-W90 HydrophobicContact CG-CE3 3.7Å; Y76-W90 HydrophobicContact CG-CZ3 4.5Å; Y76-N91 WeakPolarHBondContact CB-OD1 3.36Å; Y76-N91 PolarHBondContact N-OD1 3.19Å; Y76-N91 PolarHBondContact O-ND2 2.86Å; Y76-L96 HydrophobicContact CE2-CD2 4.32Å; Y76-L96 HydrophobicContact CE2-CG 4.47Å; Y76-L97 HydrophobicContact CD2-CD2 4.04Å; Y76-L97 HydrophobicContact CE2-CD2 4.45Å; Y76-K100 HydrophobicContact CE2-CG 4.05Å; Y76-K100 WeakPolarHBondContact OH-CD 3.46Å; Y76-K100 WeakPolarHBondContact OH-CE 3.41Å
77	R	98.6	Very high	98.1	Very high	151 Å²	151	58.7 Å²	58.7	57%	0.57	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.5	171.7	-68.6	-65.6	-176	136.7	-4.4	109.9	A67 R68 V73 E75 V79	A67-R77 WeakPolarHBondContact CA-O 3.45Å; R68-R77 PolarHBondContact N-O 2.88Å; R68-R77 PolarHBondContact O-N 3.42Å; V73-R77 HydrophobicContact CG1-CG 4.47Å; E75-R77 IonicContact OE1-CZ 2.75Å; E75-R77 IonicContact OE1-NE 2.7Å; E75-R77 PolarHBondContact OE1-NE 3.43Å; E75-R77 IonicContact OE1-NH2 3.14Å; E75-R77 PolarHBondContact OE1-NH2 2.98Å; R77-V79 PolarHBondContact O-N 3.47Å
78	A	98.2	Very high	98.1	Very high	42 Å²	42	64.8 Å²	64.8	35%	0.347	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.7	168.2	0	0	0	0	0	108.8	R84 A87	A78-R84 HydrophobicContact CB-CB 4.31Å; A78-A87 HydrophobicContact CB-CB 4.19Å
79	V	98.1	Very high	98.1	Very high	51 Å²	51	68.2 Å²	68.2	31%	0.309	33%	0.334	S	S	.	.	S	Bend	trans	-84.1	-29.3	172	-178	0	0	0	0	109.7	E65 Y66 R68 R77	E65-V79 HydrophobicContact CB-CG1 4.4Å; E65-V79 HydrophobicContact CG-CB 4.3Å; E65-V79 HydrophobicContact CG-CG1 4.38Å; E65-V79 HydrophobicContact CG-CG2 4Å; E65-V79 WeakPolarHBondContact O-CB 3.41Å; Y66-V79 PolarHBondContact O-N 2.89Å; R68-V79 HydrophobicContact CB-CG2 4.05Å; R77-V79 PolarHBondContact O-N 3.47Å
80	R	97.1	Very high	98.1	Very high	138 Å²	138	70.1 Å²	70.1	52%	0.521	34%	0.341	S	S	.	.	S	Bend	trans	-135.7	164.1	176	-63.3	-63.9	-163.4	-161.9	-1.6	110.9	E64 E65 Y66 L82 G83	E64-R80 HydrophobicContact CG-CG 3.92Å; E64-R80 VanDerWaalsContact OE1-CD 3.26Å; E64-R80 WeakPolarHBondContact OE1-CD 3.03Å; E64-R80 WeakPolarHBondContact OE1-CG 3.36Å; E64-R80 IonicContact OE1-CZ 3.31Å; E64-R80 IonicContact OE1-NE 3.72Å; E64-R80 PolarHBondContact OE1-NE 2.73Å; E64-R80 IonicContact OE1-NH2 2.76Å; E65-R80 WeakPolarHBondContact O-CG 3.44Å; Y66-R80 PolarHBondContact O-N 3.36Å; R80-L82 PolarHBondContact O-N 3.47Å; R80-G83 PolarHBondContact O-N 3.03Å
81	E	96.9	Very high	98	Very high	133 Å²	133	71.2 Å²	71.2	62%	0.621	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-55.2	-37	178.2	-67.2	-61.3	115.7	0	0	112.9	G83 R84	E81-G83 PolarHBondContact O-N 2.9Å; E81-R84 WeakPolarHBondContact O-CB 3.01Å; E81-R84 PolarHBondContact O-N 3.02Å; E81-R84 VanDerWaalsContact O-N 3.09Å; E81-R84 IonicContact OE1-CZ 3.75Å; E81-R84 IonicContact OE1-NH2 3.24Å; E81-R84 PolarHBondContact OE1-NH2 3.02Å; E81-R84 IonicContact OE2-CZ 2.8Å; E81-R84 IonicContact OE2-NE 2.93Å; E81-R84 IonicContact OE2-NH1 3.01Å; E81-R84 IonicContact OE2-NH2 2.67Å; E81-R84 PolarHBondContact OE2-NH2 3.02Å
82	L	96.6	Very high	98	Very high	106 Å²	106	73.9 Å²	73.9	56%	0.555	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-54.3	-35.6	176.2	-178.5	65.3	0	0	0	112.6	H61 Y66 R80 P85	H61-L82 HydrophobicContact CB-CD2 3.95Å; Y66-L82 HydrophobicContact CD1-CD2 4.44Å; Y66-L82 HydrophobicContact CG-CD2 4.33Å; R80-L82 PolarHBondContact O-N 3.47Å; L82-P85 WeakPolarHBondContact O-CD 3.31Å
83	G	98	Very high	98	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-89.3	-0	-178	0	0	0	0	0	115.7	Y66 R80 E81 D86 A87	Y66-G83 WeakPolarHBondContact O-CA 3.26Å; R80-G83 PolarHBondContact O-N 3.03Å; E81-G83 PolarHBondContact O-N 2.9Å; G83-D86 PolarHBondContact O-N 3.32Å; G83-A87 WeakPolarHBondContact O-CB 3.36Å; G83-A87 PolarHBondContact O-N 3.26Å
84	R	98.4	Very high	98	Very high	120 Å²	120	77.4 Å²	77.4	45%	0.453	37%	0.371	S	S	.	.	H	α-helix	trans	-59.4	-48.5	178.5	-173.6	-177.1	-62.9	178.2	2.1	112.6	A78 E81 D86 A87 E88	A78-R84 HydrophobicContact CB-CB 4.31Å; E81-R84 WeakPolarHBondContact O-CB 3.01Å; E81-R84 PolarHBondContact O-N 3.02Å; E81-R84 VanDerWaalsContact O-N 3.09Å; E81-R84 IonicContact OE1-CZ 3.75Å; E81-R84 IonicContact OE1-NH2 3.24Å; E81-R84 PolarHBondContact OE1-NH2 3.02Å; E81-R84 IonicContact OE2-CZ 2.8Å; E81-R84 IonicContact OE2-NE 2.93Å; E81-R84 IonicContact OE2-NH1 3.01Å; E81-R84 IonicContact OE2-NH2 2.67Å; E81-R84 PolarHBondContact OE2-NH2 3.02Å; R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 PolarHBondContact O-N 2.98Å; R84-A87 PolarHBondContact O-N 2.92Å; R84-E88 WeakPolarHBondContact CG-OE1 3.36Å; R84-E88 WeakPolarHBondContact O-CG 3.31Å; R84-E88 PolarHBondContact O-N 3.17Å; R84-E88 VanDerWaalsContact O-N 3.08Å
85	P	98.3	Very high	98	Very high	81 Å²	81	83.8 Å²	83.8	53%	0.526	40%	0.403	S	S	.	.	H	α-helix	trans	-60.3	-41.1	179.2	-21.7	34.3	0	0	0	112.2	L82 Y89	L82-P85 WeakPolarHBondContact O-CD 3.31Å; P85-Y89 VanDerWaalsContact O-CB 3.27Å; P85-Y89 WeakPolarHBondContact O-CB 3.1Å; P85-Y89 PolarHBondContact O-N 3.49Å
86	D	97.9	Very high	98	Very high	52 Å²	52	82.8 Å²	82.8	28%	0.278	40%	0.399	S	S	.	.	H	α-helix	trans	-67.4	-45.7	-179.8	-70	-27.1	0	0	0	111.9	Y66 G83 R84 E88 Y89 W90	Y66-D86 WeakPolarHBondContact CE2-OD2 3.21Å; G83-D86 PolarHBondContact O-N 3.32Å; R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 PolarHBondContact O-N 2.98Å; D86-E88 PolarHBondContact O-N 3.46Å; D86-Y89 PolarHBondContact O-N 3.04Å; D86-W90 HydrophobicContact CB-CD2 4.11Å; D86-W90 HydrophobicContact CB-CE3 4.02Å; D86-W90 HydrophobicContact CB-CH2 3.75Å; D86-W90 HydrophobicContact CB-CZ2 3.8Å; D86-W90 HydrophobicContact CB-CZ3 3.86Å; D86-W90 VanDerWaalsContact O-CB 3.29Å; D86-W90 WeakPolarHBondContact O-CB 3.05Å; D86-W90 VanDerWaalsContact O-CD2 3.27Å; D86-W90 PolarHBondContact O-N 2.69Å
87	A	98.3	Very high	97.9	Very high	8 Å²	8	83.3 Å²	83.3	7%	0.066	40%	0.402	C	S	.	.	H	α-helix	trans	-61	-44.2	178.1	0	0	0	0	0	111.7	A78 G83 R84 N91	A78-A87 HydrophobicContact CB-CB 4.19Å; G83-A87 WeakPolarHBondContact O-CB 3.36Å; G83-A87 PolarHBondContact O-N 3.26Å; R84-A87 PolarHBondContact O-N 2.92Å; A87-N91 WeakPolarHBondContact O-CB 3.37Å; A87-N91 PolarHBondContact O-N 3.4Å; A87-N91 PolarHBondContact O-ND2 2.68Å; A87-N91 VanDerWaalsContact O-ND2 3.12Å
88	E	97.9	Very high	97.9	Very high	129 Å²	129	81.4 Å²	81.4	60%	0.603	40%	0.4	S	S	*	.	H	α-helix	trans	-62.3	-47.3	176	-71.8	173.2	-169.7	0	0	111.5	R84 D86 S92	R84-E88 WeakPolarHBondContact CG-OE1 3.36Å; R84-E88 WeakPolarHBondContact O-CG 3.31Å; R84-E88 PolarHBondContact O-N 3.17Å; R84-E88 VanDerWaalsContact O-N 3.08Å; D86-E88 PolarHBondContact O-N 3.46Å; E88-S92 PolarHBondContact O-N 3.23Å; E88-S92 VanDerWaalsContact O-N 3.12Å
89	Y	98.3	Very high	97.8	Very high	142 Å²	142	84.8 Å²	84.8	56%	0.557	41%	0.408	S	S	*	.	H	α-helix	trans	-65.5	-46.6	-179.2	178.9	-115.5	0	0	0	112.5	P85 D86 S92 Q93	P85-Y89 VanDerWaalsContact O-CB 3.27Å; P85-Y89 WeakPolarHBondContact O-CB 3.1Å; P85-Y89 PolarHBondContact O-N 3.49Å; D86-Y89 PolarHBondContact O-N 3.04Å; Y89-S92 PolarHBondContact O-N 3Å; Y89-S92 PolarHBondContact O-OG 3.33Å; Y89-Q93 VanDerWaalsContact CZ-NE2 3.31Å; Y89-Q93 PolarHBondContact O-NE2 3.31Å
90	W	98.5	Very high	97.8	Very high	40 Å²	40	83.7 Å²	83.7	15%	0.152	40%	0.4	C	S	.	.	H	α-helix	trans	-66.9	-38.3	179.2	-63	-25.2	0	0	0	112	H59 Y66 A67 Y76 D86 S92 Q93 L96	H59-W90 AromaticContact CD2-CH2 3.9Å; H59-W90 AromaticContact CD2-CZ3 3.86Å; H59-W90 AromaticContact CE1-CH2 3.58Å; H59-W90 AromaticContact CG-CH2 3.85Å; H59-W90 AromaticContact ND1-CH2 3.67Å; H59-W90 AromaticContact NE2-CH2 3.75Å; H59-W90 AromaticContact NE2-CZ3 3.83Å; Y66-W90 HydrophobicContact CE2-CH2 4.45Å; A67-W90 HydrophobicContact CB-CH2 4.45Å; A67-W90 HydrophobicContact CB-CZ3 3.78Å; Y76-W90 HydrophobicContact CD1-CD2 4.38Å; Y76-W90 AromaticContact CD1-CE3 3.32Å; Y76-W90 HydrophobicContact CD1-CE3 3.32Å; Y76-W90 AromaticContact CD1-CZ3 3.72Å; Y76-W90 HydrophobicContact CD1-CZ3 3.72Å; Y76-W90 HydrophobicContact CD2-CB 3.73Å; Y76-W90 HydrophobicContact CD2-CE3 4.25Å; Y76-W90 HydrophobicContact CE1-CD2 4.39Å; Y76-W90 AromaticContact CE1-CE3 3.56Å; Y76-W90 HydrophobicContact CE1-CE3 3.56Å; Y76-W90 AromaticContact CE1-CZ3 3.82Å; Y76-W90 HydrophobicContact CE1-CZ3 3.82Å; Y76-W90 HydrophobicContact CE2-CB 4.03Å; Y76-W90 HydrophobicContact CE2-CE3 4.45Å; Y76-W90 HydrophobicContact CG-CB 4.17Å; Y76-W90 AromaticContact CG-CE3 3.7Å; Y76-W90 HydrophobicContact CG-CE3 3.7Å; Y76-W90 HydrophobicContact CG-CZ3 4.5Å; D86-W90 HydrophobicContact CB-CD2 4.11Å; D86-W90 HydrophobicContact CB-CE3 4.02Å; D86-W90 HydrophobicContact CB-CH2 3.75Å; D86-W90 HydrophobicContact CB-CZ2 3.8Å; D86-W90 HydrophobicContact CB-CZ3 3.86Å; D86-W90 VanDerWaalsContact O-CB 3.29Å; D86-W90 WeakPolarHBondContact O-CB 3.05Å; D86-W90 VanDerWaalsContact O-CD2 3.27Å; D86-W90 PolarHBondContact O-N 2.69Å; W90-S92 PolarHBondContact O-N 3.17Å; W90-Q93 PolarHBondContact O-N 2.8Å; W90-Q93 VanDerWaalsContact O-N 3.16Å; W90-L96 HydrophobicContact CB-CD2 3.77Å; W90-L96 HydrophobicContact CG-CD2 4.02Å
91	N	98.5	Very high	97.9	Very high	41 Å²	41	82.3 Å²	82.3	22%	0.219	39%	0.394	C	S	.	.	H	α-helix	trans	-68.9	-23.8	176.7	-70	-18.1	0	0	0	113.1	Y76 A87 Q93 L97	Y76-N91 WeakPolarHBondContact CB-OD1 3.36Å; Y76-N91 PolarHBondContact N-OD1 3.19Å; Y76-N91 PolarHBondContact O-ND2 2.86Å; A87-N91 WeakPolarHBondContact O-CB 3.37Å; A87-N91 PolarHBondContact O-N 3.4Å; A87-N91 PolarHBondContact O-ND2 2.68Å; A87-N91 VanDerWaalsContact O-ND2 3.12Å; N91-Q93 PolarHBondContact O-N 3.28Å; N91-L97 HydrophobicContact CB-CD1 4.33Å; N91-L97 WeakPolarHBondContact O-CD1 3.26Å; N91-L97 WeakPolarHBondContact OD1-CD2 3.35Å
92	S	98.1	Very high	97.9	Very high	82 Å²	82	76.9 Å²	76.9	57%	0.573	37%	0.374	S	S	*	.	H	α-helix	trans	-70.8	-19.9	174.1	80	0	0	0	0	113.3	E88 Y89 W90 K94	E88-S92 PolarHBondContact O-N 3.23Å; E88-S92 VanDerWaalsContact O-N 3.12Å; Y89-S92 PolarHBondContact O-N 3Å; Y89-S92 PolarHBondContact O-OG 3.33Å; W90-S92 PolarHBondContact O-N 3.17Å; S92-K94 PolarHBondContact O-N 3.16Å
93	Q	98.3	Very high	98	Very high	71 Å²	71	73.4 Å²	73.4	33%	0.332	36%	0.355	S	S	.	.			trans	-92	97.9	-179.2	-67	175.3	69	0	0	110.7	Y89 W90 N91 D95 L96 L97	Y89-Q93 VanDerWaalsContact CZ-NE2 3.31Å; Y89-Q93 PolarHBondContact O-NE2 3.31Å; W90-Q93 PolarHBondContact O-N 2.8Å; W90-Q93 VanDerWaalsContact O-N 3.16Å; N91-Q93 PolarHBondContact O-N 3.28Å; Q93-D95 PolarHBondContact O-N 3.11Å; Q93-L96 HydrophobicContact CB-CB 3.87Å; Q93-L96 HydrophobicContact CB-CD2 4.46Å; Q93-L96 WeakPolarHBondContact O-CB 3.47Å; Q93-L96 PolarHBondContact O-N 2.94Å; Q93-L97 PolarHBondContact O-N 3.5Å; Q93-L97 VanDerWaalsContact O-N 3.13Å
94	K	97	Very high	98	Very high	169 Å²	169	74.2 Å²	74.2	74%	0.735	36%	0.36	S	S	*	.	H	α-helix	trans	-58.7	-44	-176.2	-67.5	-173.4	177.6	-177.8	0	113.3	S92 L96 L97 E98	S92-K94 PolarHBondContact O-N 3.16Å; K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 PolarHBondContact O-N 2.76Å; K94-L97 PolarHBondContact O-N 3.11Å; K94-E98 WeakPolarHBondContact O-CG 3.43Å; K94-E98 PolarHBondContact O-N 3.41Å
95	D	97.8	Very high	98	Very high	145 Å²	145	72.6 Å²	72.6	78%	0.775	36%	0.36	S	S	*	.	H	α-helix	trans	-63	-37.6	-178.3	-58.8	-19	0	0	0	111.5	Q93 Q99	Q93-D95 PolarHBondContact O-N 3.11Å; D95-Q99 WeakPolarHBondContact O-CB 3.24Å; D95-Q99 PolarHBondContact O-N 2.82Å
96	L	97.8	Very high	97.9	Very high	35 Å²	35	74.4 Å²	74.4	18%	0.183	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-49.2	174.8	179.1	65.9	0	0	0	110.8	Y76 W90 Q93 K94 E98 Q99 K100	Y76-L96 HydrophobicContact CE2-CD2 4.32Å; Y76-L96 HydrophobicContact CE2-CG 4.47Å; W90-L96 HydrophobicContact CB-CD2 3.77Å; W90-L96 HydrophobicContact CG-CD2 4.02Å; Q93-L96 HydrophobicContact CB-CB 3.87Å; Q93-L96 HydrophobicContact CB-CD2 4.46Å; Q93-L96 WeakPolarHBondContact O-CB 3.47Å; Q93-L96 PolarHBondContact O-N 2.94Å; K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 PolarHBondContact O-N 2.76Å; L96-E98 PolarHBondContact O-N 2.82Å; L96-Q99 WeakPolarHBondContact O-CB 3.48Å; L96-Q99 PolarHBondContact O-N 3.09Å; L96-K100 HydrophobicContact CD1-CG 4.33Å; L96-K100 VanDerWaalsContact O-CG 3.27Å; L96-K100 WeakPolarHBondContact O-CG 3.32Å; L96-K100 PolarHBondContact O-N 2.91Å
97	L	97.5	Very high	98	Very high	14 Å²	14	76.2 Å²	76.2	7%	0.073	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-44.8	179.6	-78.8	-174.7	0	0	0	112.7	F69 E75 Y76 N91 Q93 K94 Q99 K100 R101	F69-L97 HydrophobicContact CD2-CD2 4.39Å; F69-L97 HydrophobicContact CE2-CD2 4.17Å; E75-L97 HydrophobicContact CB-CD2 4.2Å; Y76-L97 HydrophobicContact CD2-CD2 4.04Å; Y76-L97 HydrophobicContact CE2-CD2 4.45Å; N91-L97 HydrophobicContact CB-CD1 4.33Å; N91-L97 WeakPolarHBondContact O-CD1 3.26Å; N91-L97 WeakPolarHBondContact OD1-CD2 3.35Å; Q93-L97 PolarHBondContact O-N 3.5Å; Q93-L97 VanDerWaalsContact O-N 3.13Å; K94-L97 PolarHBondContact O-N 3.11Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 2.98Å; L97-K100 PolarHBondContact O-N 2.84Å; L97-R101 VanDerWaalsContact O-CG 3.26Å; L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 3.04Å
98	E	97.4	Very high	98	Very high	110 Å²	110	75.9 Å²	75.9	51%	0.514	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-41	176.6	-69.1	-53.9	130.5	0	0	111.5	K94 L96 K100 R101 G102	K94-E98 WeakPolarHBondContact O-CG 3.43Å; K94-E98 PolarHBondContact O-N 3.41Å; L96-E98 PolarHBondContact O-N 2.82Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 2.87Å; E98-R101 PolarHBondContact O-N 2.81Å; E98-R101 IonicContact OE1-CZ 3.96Å; E98-R101 IonicContact OE1-NH1 3.43Å; E98-R101 PolarHBondContact OE1-NH1 2.59Å; E98-G102 PolarHBondContact O-N 2.83Å
99	Q	97.8	Very high	98	Very high	113 Å²	113	73.4 Å²	73.4	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-41.5	173.7	-172.9	-170.8	12.5	0	0	112	D95 L96 L97 G102 Q103	D95-Q99 WeakPolarHBondContact O-CB 3.24Å; D95-Q99 PolarHBondContact O-N 2.82Å; L96-Q99 WeakPolarHBondContact O-CB 3.48Å; L96-Q99 PolarHBondContact O-N 3.09Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 2.98Å; Q99-G102 PolarHBondContact O-N 3.44Å; Q99-Q103 WeakPolarHBondContact O-CG 3.49Å; Q99-Q103 PolarHBondContact O-N 3.46Å; Q99-Q103 PolarHBondContact O-NE2 2.76Å
100	K	97.9	Very high	98	Very high	29 Å²	29	72 Å²	72	13%	0.126	35%	0.35	C	S	.	.	H	α-helix	trans	-70.7	-39.4	180	-64.2	-65.9	166.9	177.2	0	112.2	F55 E57 F69 Y76 L96 L97 E98 G102 Q103	F55-K100 HydrophobicContact CE1-CD 4.44Å; E57-K100 IonicContact OE1-NZ 3.5Å; E57-K100 IonicContact OE2-NZ 3.69Å; E57-K100 PolarHBondContact OE2-NZ 2.87Å; F69-K100 HydrophobicContact CD1-CB 3.98Å; F69-K100 HydrophobicContact CD2-CB 3.76Å; F69-K100 HydrophobicContact CD2-CG 4.39Å; F69-K100 HydrophobicContact CE1-CB 3.74Å; F69-K100 WeakPolarHBondContact CE1-O 3.16Å; F69-K100 HydrophobicContact CE2-CB 3.5Å; F69-K100 HydrophobicContact CG-CB 4Å; F69-K100 VanDerWaalsContact CZ-C 3.49Å; F69-K100 HydrophobicContact CZ-CB 3.5Å; Y76-K100 HydrophobicContact CE2-CG 4.05Å; Y76-K100 WeakPolarHBondContact OH-CD 3.46Å; Y76-K100 WeakPolarHBondContact OH-CE 3.41Å; L96-K100 HydrophobicContact CD1-CG 4.33Å; L96-K100 VanDerWaalsContact O-CG 3.27Å; L96-K100 WeakPolarHBondContact O-CG 3.32Å; L96-K100 PolarHBondContact O-N 2.91Å; L97-K100 PolarHBondContact O-N 2.84Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 2.87Å; K100-G102 VanDerWaalsContact C-N 3.25Å; K100-G102 PolarHBondContact O-N 2.81Å; K100-Q103 HydrophobicContact CD-CG 4.46Å; K100-Q103 WeakPolarHBondContact O-CB 3.41Å; K100-Q103 WeakPolarHBondContact O-CG 3.19Å; K100-Q103 PolarHBondContact O-N 3.01Å; K100-Q103 VanDerWaalsContact O-N 3.11Å
101	R	97.8	Very high	98	Very high	108 Å²	108	73.4 Å²	73.4	41%	0.408	36%	0.36	S	S	.	.	H	α-helix	trans	-58.8	-38.4	172	-71	166.1	-176.8	178.1	-2.8	111.5	F69 G74 L97 E98 Q103	F69-R101 HydrophobicContact CZ-CG 4.02Å; G74-R101 PolarHBondContact O-NE 2.76Å; G74-R101 PolarHBondContact O-NH2 2.95Å; L97-R101 VanDerWaalsContact O-CG 3.26Å; L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 3.04Å; E98-R101 PolarHBondContact O-N 2.81Å; E98-R101 IonicContact OE1-CZ 3.96Å; E98-R101 IonicContact OE1-NH1 3.43Å; E98-R101 PolarHBondContact OE1-NH1 2.59Å; R101-Q103 VanDerWaalsContact C-N 3.31Å; R101-Q103 PolarHBondContact O-N 3.35Å
102	G	97.8	Very high	98	Very high	20 Å²	20	73.2 Å²	73.2	21%	0.206	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.5	176.2	0	0	0	0	0	116.1	E98 Q99 K100 V104 D105 N106	E98-G102 PolarHBondContact O-N 2.83Å; Q99-G102 PolarHBondContact O-N 3.44Å; K100-G102 VanDerWaalsContact C-N 3.25Å; K100-G102 PolarHBondContact O-N 2.81Å; G102-V104 PolarHBondContact O-N 3.04Å; G102-D105 PolarHBondContact O-N 2.76Å; G102-N106 WeakPolarHBondContact O-CB 3.49Å; G102-N106 PolarHBondContact O-N 2.83Å; G102-N106 PolarHBondContact O-ND2 2.83Å
103	Q	98.3	Very high	98	Very high	32 Å²	32	71.6 Å²	71.6	15%	0.15	35%	0.353	C	S	.	.	H	α-helix	trans	-67.2	-22.8	-176.9	-66.5	-62.3	-55	0	0	113.4	F55 Q99 K100 R101 D105 Y107 C108	F55-Q103 HydrophobicContact CB-CB 4.49Å; F55-Q103 HydrophobicContact CD1-CB 3.56Å; F55-Q103 HydrophobicContact CD1-CG 4.15Å; F55-Q103 HydrophobicContact CD2-CB 4Å; F55-Q103 HydrophobicContact CE1-CB 3.64Å; F55-Q103 HydrophobicContact CE1-CG 3.73Å; F55-Q103 HydrophobicContact CE2-CB 4.05Å; F55-Q103 HydrophobicContact CE2-CG 4.46Å; F55-Q103 HydrophobicContact CG-CB 3.74Å; F55-Q103 HydrophobicContact CZ-CB 3.88Å; F55-Q103 HydrophobicContact CZ-CG 3.89Å; Q99-Q103 WeakPolarHBondContact O-CG 3.49Å; Q99-Q103 PolarHBondContact O-N 3.46Å; Q99-Q103 PolarHBondContact O-NE2 2.76Å; K100-Q103 HydrophobicContact CD-CG 4.46Å; K100-Q103 WeakPolarHBondContact O-CB 3.41Å; K100-Q103 WeakPolarHBondContact O-CG 3.19Å; K100-Q103 PolarHBondContact O-N 3.01Å; K100-Q103 VanDerWaalsContact O-N 3.11Å; R101-Q103 VanDerWaalsContact C-N 3.31Å; R101-Q103 PolarHBondContact O-N 3.35Å; Q103-D105 VanDerWaalsContact C-N 3.26Å; Q103-D105 PolarHBondContact O-N 3.33Å; Q103-Y107 WeakPolarHBondContact O-CA 3.41Å; Q103-Y107 WeakPolarHBondContact O-CB 3.32Å; Q103-Y107 PolarHBondContact O-N 3.04Å; Q103-C108 PolarHBondContact O-N 2.97Å
104	V	98.4	Very high	98	Very high	17 Å²	17	72.3 Å²	72.3	10%	0.103	36%	0.362	C	S	.	.	I	π-helix	trans	-57	-44	175.5	-175.7	0	0	0	0	110.5	V53 F55 G102 C108 R109	V53-V104 HydrophobicContact CB-CG1 3.67Å; V53-V104 HydrophobicContact CG1-CG1 3.82Å; F55-V104 HydrophobicContact CB-CG2 4.03Å; G102-V104 PolarHBondContact O-N 3.04Å; V104-C108 VanDerWaalsContact O-CB 3.31Å; V104-C108 WeakPolarHBondContact O-CB 3.09Å; V104-R109 WeakPolarHBondContact O-CG 3.39Å; V104-R109 PolarHBondContact O-N 2.93Å
105	D	98.3	Very high	98	Very high	86 Å²	86	64.7 Å²	64.7	46%	0.46	33%	0.331	S	S	.	.	I	π-helix	trans	-87.8	-54.8	178.6	-69.9	-58.8	0	0	0	112.1	G102 Q103 Y107 R109 H110	G102-D105 PolarHBondContact O-N 2.76Å; Q103-D105 VanDerWaalsContact C-N 3.26Å; Q103-D105 PolarHBondContact O-N 3.33Å; D105-Y107 VanDerWaalsContact C-N 3.28Å; D105-Y107 PolarHBondContact O-N 3.06Å; D105-R109 WeakPolarHBondContact OD1-CD 3.27Å; D105-R109 IonicContact OD1-CZ 2.7Å; D105-R109 IonicContact OD1-NE 3.32Å; D105-R109 IonicContact OD1-NH1 3.23Å; D105-R109 PolarHBondContact OD1-NH1 3.23Å; D105-R109 IonicContact OD2-NH1 3.86Å; D105-H110 PolarHBondContact O-N 2.76Å; D105-H110 VanDerWaalsContact O-N 3.13Å
106	N	97.3	Very high	98	Very high	119 Å²	119	61 Å²	61	64%	0.636	31%	0.309	S	S	*	.	I	π-helix	trans	-70	-25.7	-168.4	-65.4	-21.5	0	0	0	113.2	G102 H110	G102-N106 WeakPolarHBondContact O-CB 3.49Å; G102-N106 PolarHBondContact O-N 2.83Å; G102-N106 PolarHBondContact O-ND2 2.83Å; N106-H110 WeakPolarHBondContact O-CB 3.26Å
107	Y	98.1	Very high	98	Very high	91 Å²	91	63.7 Å²	63.7	36%	0.357	33%	0.33	S	S	.	.	I	π-helix	trans	-113.8	-57.8	179.9	-179.5	-100.2	0	0	0	111.3	C44 F55 Q103 D105 N111	C44-Y107 VanDerWaalsContact SG-CD1 3.57Å; F55-Y107 HydrophobicContact CD2-CD1 4.34Å; F55-Y107 HydrophobicContact CE2-CD1 4.06Å; F55-Y107 HydrophobicContact CE2-CE1 4.36Å; Q103-Y107 WeakPolarHBondContact O-CA 3.41Å; Q103-Y107 WeakPolarHBondContact O-CB 3.32Å; Q103-Y107 PolarHBondContact O-N 3.04Å; D105-Y107 VanDerWaalsContact C-N 3.28Å; D105-Y107 PolarHBondContact O-N 3.06Å; Y107-N111 WeakPolarHBondContact CD2-ND2 3.28Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.42Å; Y107-N111 WeakPolarHBondContact O-CB 3.21Å; Y107-N111 PolarHBondContact O-N 2.85Å; Y107-N111 PolarHBondContact O-ND2 2.86Å
108	C	98.6	Very high	98	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.352	C	S	.	.	I	π-helix	trans	-69.1	-58.1	-172.9	-62	0	0	0	0	112.9	C44 F46 V53 Q103 V104 H110 N111 Y112	C44-C108 HydrophobicContact CB-CB 3.6Å; C44-C108 WeakPolarHBondContact CB-SG 3.29Å; C44-C108 WeakPolarHBondContact SG-CA 3.47Å; C44-C108 WeakPolarHBondContact SG-CB 3.4Å; C44-C108 CovalentContact SG-SG 2.04Å; C44-C108 PolarHBondContact SG-SG 3.04Å; F46-C108 HydrophobicContact CE1-CB 4.14Å; F46-C108 HydrophobicContact CZ-CB 4.06Å; F46-C108 WeakPolarHBondContact CZ-O 3.35Å; V53-C108 HydrophobicContact CG1-CB 3.51Å; Q103-C108 PolarHBondContact O-N 2.97Å; V104-C108 VanDerWaalsContact O-CB 3.31Å; V104-C108 WeakPolarHBondContact O-CB 3.09Å; C108-H110 VanDerWaalsContact C-N 3.35Å; C108-H110 PolarHBondContact O-N 2.84Å; C108-N111 PolarHBondContact O-N 2.93Å; C108-Y112 WeakPolarHBondContact O-CB 3.26Å; C108-Y112 PolarHBondContact O-N 2.97Å
109	R	98.6	Very high	98	Very high	77 Å²	77	65.2 Å²	65.2	29%	0.291	34%	0.338	S	S	.	.	I	π-helix	trans	-64.6	-40.3	179.9	-69.8	-169.1	-180	98.5	1	112	T50 E51 V53 V104 D105 Y112 G113	T50-R109 HydrophobicContact CG2-CG 4.5Å; T50-R109 PolarHBondContact O-NE 2.92Å; T50-R109 PolarHBondContact O-NH2 3.31Å; E51-R109 PolarHBondContact O-NH2 2.86Å; V53-R109 HydrophobicContact CG2-CG 3.99Å; V104-R109 WeakPolarHBondContact O-CG 3.39Å; V104-R109 PolarHBondContact O-N 2.93Å; D105-R109 WeakPolarHBondContact OD1-CD 3.27Å; D105-R109 IonicContact OD1-CZ 2.7Å; D105-R109 IonicContact OD1-NE 3.32Å; D105-R109 IonicContact OD1-NH1 3.23Å; D105-R109 PolarHBondContact OD1-NH1 3.23Å; D105-R109 IonicContact OD2-NH1 3.86Å; R109-Y112 PolarHBondContact O-N 2.02Å; R109-G113 PolarHBondContact O-N 3.44Å
110	H	98.1	Very high	98	Very high	114 Å²	114	62.7 Å²	62.7	53%	0.528	33%	0.33	S	S	.	.	H	α-helix	trans	-55.3	-54.7	174.3	179.1	74	0	0	0	112.1	D105 N106 C108 Y112 G113 V114	D105-H110 PolarHBondContact O-N 2.76Å; D105-H110 VanDerWaalsContact O-N 3.13Å; N106-H110 WeakPolarHBondContact O-CB 3.26Å; C108-H110 VanDerWaalsContact C-N 3.35Å; C108-H110 PolarHBondContact O-N 2.84Å; H110-Y112 PolarHBondContact O-N 2.89Å; H110-G113 PolarHBondContact O-N 2.95Å; H110-V114 VanDerWaalsContact O-CG2 3.28Å; H110-V114 WeakPolarHBondContact O-CG2 3.4Å; H110-V114 PolarHBondContact O-N 2.91Å
111	N	98.5	Very high	97.9	Very high	69 Å²	69	66.6 Å²	66.6	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-69.4	-32	-177.8	-71.5	-34	0	0	0	112.9	Y107 C108 G113 V114 G115	Y107-N111 WeakPolarHBondContact CD2-ND2 3.28Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.42Å; Y107-N111 WeakPolarHBondContact O-CB 3.21Å; Y107-N111 PolarHBondContact O-N 2.85Å; Y107-N111 PolarHBondContact O-ND2 2.86Å; C108-N111 PolarHBondContact O-N 2.93Å; N111-G113 VanDerWaalsContact C-N 3.35Å; N111-V114 PolarHBondContact O-N 2.73Å; N111-G115 PolarHBondContact O-N 2.77Å
112	Y	98.4	Very high	97.9	Very high	37 Å²	37	65.4 Å²	65.4	15%	0.145	35%	0.345	C	S	.	.	H	α-helix	trans	-56.5	-51.7	170.1	-176.4	-78	0	0	0	110.1	F46 T50 C108 R109 H110 V114 G115 E116 V120	F46-Y112 HydrophobicContact CB-CE2 4.47Å; F46-Y112 AromaticContact CD1-CD2 3.57Å; F46-Y112 HydrophobicContact CD1-CD2 3.57Å; F46-Y112 HydrophobicContact CD1-CE2 4.22Å; F46-Y112 HydrophobicContact CD1-CG 4.26Å; F46-Y112 HydrophobicContact CD2-CD2 4.07Å; F46-Y112 AromaticContact CE1-CD2 3.66Å; F46-Y112 HydrophobicContact CE1-CD2 3.66Å; F46-Y112 HydrophobicContact CE1-CG 4Å; F46-Y112 HydrophobicContact CE2-CD2 4.13Å; F46-Y112 AromaticContact CG-CD2 3.8Å; F46-Y112 HydrophobicContact CG-CD2 3.8Å; F46-Y112 HydrophobicContact CG-CE2 4.2Å; F46-Y112 AromaticContact CZ-CD2 3.94Å; F46-Y112 HydrophobicContact CZ-CD2 3.94Å; F46-Y112 HydrophobicContact CZ-CG 4.35Å; T50-Y112 HydrophobicContact CG2-CD1 3.37Å; T50-Y112 HydrophobicContact CG2-CD2 3.89Å; T50-Y112 HydrophobicContact CG2-CE1 3.72Å; T50-Y112 HydrophobicContact CG2-CE2 4.18Å; T50-Y112 HydrophobicContact CG2-CG 3.47Å; T50-Y112 VanDerWaalsContact CG2-CG 3.47Å; C108-Y112 WeakPolarHBondContact O-CB 3.26Å; C108-Y112 PolarHBondContact O-N 2.97Å; R109-Y112 PolarHBondContact O-N 2.02Å; H110-Y112 PolarHBondContact O-N 2.89Å; Y112-V114 VanDerWaalsContact C-N 3.34Å; Y112-V114 PolarHBondContact O-N 3.22Å; Y112-G115 PolarHBondContact O-N 2.87Å; Y112-E116 HydrophobicContact CD1-CB 4.38Å; Y112-E116 HydrophobicContact CE1-CB 4.23Å; Y112-E116 HydrophobicContact CE1-CG 4.07Å; Y112-E116 WeakPolarHBondContact O-CA 3.33Å; Y112-E116 VanDerWaalsContact O-CB 3.26Å; Y112-E116 WeakPolarHBondContact O-CB 3.33Å; Y112-E116 PolarHBondContact O-N 2.67Å; Y112-V120 HydrophobicContact CD2-CG2 4.44Å; Y112-V120 HydrophobicContact CE2-CG2 3.76Å
113	G	98	Very high	98	Very high	47 Å²	47	70.1 Å²	70.1	49%	0.485	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-39.4	179.4	0	0	0	0	0	113.2	R109 H110 N111	R109-G113 PolarHBondContact O-N 3.44Å; H110-G113 PolarHBondContact O-N 2.95Å; N111-G113 VanDerWaalsContact C-N 3.35Å
114	V	98.2	Very high	98	Very high	87 Å²	87	70.6 Å²	70.6	53%	0.527	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-42.7	175.8	175.8	0	0	0	0	111.4	H110 N111 Y112 F118	H110-V114 VanDerWaalsContact O-CG2 3.28Å; H110-V114 WeakPolarHBondContact O-CG2 3.4Å; H110-V114 PolarHBondContact O-N 2.91Å; N111-V114 PolarHBondContact O-N 2.73Å; Y112-V114 VanDerWaalsContact C-N 3.34Å; Y112-V114 PolarHBondContact O-N 3.22Å; V114-F118 WeakPolarHBondContact O-CE1 3.5Å
115	G	97.8	Very high	97.9	Very high	8 Å²	8	75.5 Å²	75.5	8%	0.082	38%	0.382	C	S	.	.	H	α-helix	trans	-88.9	-14.8	-174.3	0	0	0	0	0	115.6	N111 Y112 S117 F118 T119	N111-G115 PolarHBondContact O-N 2.77Å; Y112-G115 PolarHBondContact O-N 2.87Å; G115-S117 VanDerWaalsContact C-N 3.31Å; G115-S117 PolarHBondContact O-N 3.35Å; G115-F118 PolarHBondContact O-N 2.8Å; G115-T119 VanDerWaalsContact C-OG1 3.29Å; G115-T119 WeakPolarHBondContact O-CB 3.33Å; G115-T119 PolarHBondContact O-N 2.77Å; G115-T119 PolarHBondContact O-OG1 2.64Å
116	E	98	Very high	97.9	Very high	69 Å²	69	71.9 Å²	71.9	32%	0.322	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-45.5	-164.8	177.6	168.7	-153.6	0	0	112.8	Y112 F118 V120 Q121	Y112-E116 HydrophobicContact CD1-CB 4.38Å; Y112-E116 HydrophobicContact CE1-CB 4.23Å; Y112-E116 HydrophobicContact CE1-CG 4.07Å; Y112-E116 WeakPolarHBondContact O-CA 3.33Å; Y112-E116 VanDerWaalsContact O-CB 3.26Å; Y112-E116 WeakPolarHBondContact O-CB 3.33Å; Y112-E116 PolarHBondContact O-N 2.67Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 3.01Å; E116-V120 HydrophobicContact CG-CB 4.2Å; E116-V120 PolarHBondContact O-N 3.46Å; E116-V120 VanDerWaalsContact O-N 3.15Å; E116-Q121 HydrophobicContact CG-CG 3.98Å; E116-Q121 PolarHBondContact O-N 2.98Å; E116-Q121 PolarHBondContact OE1-NE2 2.86Å
117	S	97.8	Very high	98	Very high	90 Å²	90	73.2 Å²	73.2	63%	0.629	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-34.2	-174.2	61.2	0	0	0	0	113.9	G115	G115-S117 VanDerWaalsContact C-N 3.31Å; G115-S117 PolarHBondContact O-N 3.35Å
118	F	96.4	Very high	98	Very high	120 Å²	120	70 Å²	70	53%	0.526	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-3.1	-175.2	63.6	-95.1	0	0	0	114.3	V114 G115 E116 R122	V114-F118 WeakPolarHBondContact O-CE1 3.5Å; G115-F118 PolarHBondContact O-N 2.8Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 3.01Å; F118-R122 WeakPolarHBondContact O-CB 3.27Å
119	T	97.6	Very high	97.9	Very high	36 Å²	36	73 Å²	73	22%	0.221	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-63.8	176.6	60.1	0	0	0	0	112.1	G115 R122 Y152 W182	G115-T119 VanDerWaalsContact C-OG1 3.29Å; G115-T119 WeakPolarHBondContact O-CB 3.33Å; G115-T119 PolarHBondContact O-N 2.77Å; G115-T119 PolarHBondContact O-OG1 2.64Å; T119-R122 WeakPolarHBondContact O-CB 3.1Å; T119-Y152 PolarHBondContact O-OH 3.06Å; T119-W182 HydrophobicContact CG2-CH2 3.79Å; T119-W182 HydrophobicContact CG2-CZ3 3.88Å
120	V	97.4	Very high	97.9	Very high	60 Å²	60	70.2 Å²	70.2	36%	0.364	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-47.1	-176.4	178.9	0	0	0	0	110.9	Y112 E116 R122	Y112-V120 HydrophobicContact CD2-CG2 4.44Å; Y112-V120 HydrophobicContact CE2-CG2 3.76Å; E116-V120 HydrophobicContact CG-CB 4.2Å; E116-V120 PolarHBondContact O-N 3.46Å; E116-V120 VanDerWaalsContact O-N 3.15Å; V120-R122 PolarHBondContact O-N 3.2Å
121	Q	97.4	Very high	97.6	Very high	111 Å²	111	69.4 Å²	69.4	52%	0.519	36%	0.357	S	S	.	.	S	Bend	trans	-83.6	-1.5	-177.6	-56.9	-58.2	-21.2	0	0	113.1	E116 R123	E116-Q121 HydrophobicContact CG-CG 3.98Å; E116-Q121 PolarHBondContact O-N 2.98Å; E116-Q121 PolarHBondContact OE1-NE2 2.86Å; Q121-R123 PolarHBondContact O-N 2.91Å
122	R	97.9	Very high	97.3	Very high	84 Å²	84	67.9 Å²	67.9	32%	0.317	35%	0.351	S	S	.	.			trans	-62.5	126.7	179.9	-178.6	-178.7	174.7	85.6	-2.3	110.1	F118 T119 V120 V124 Y152	F118-R122 WeakPolarHBondContact O-CB 3.27Å; T119-R122 WeakPolarHBondContact O-CB 3.1Å; V120-R122 PolarHBondContact O-N 3.2Å; R122-V124 HydrophobicContact CG-CG2 4.32Å; R122-Y152 HydrophobicContact CB-CD1 3.82Å; R122-Y152 HydrophobicContact CB-CE1 3.74Å; R122-Y152 HydrophobicContact CG-CD1 3.6Å; R122-Y152 HydrophobicContact CG-CE1 3.96Å; R122-Y152 HydrophobicContact CG-CG 4.27Å; R122-Y152 WeakPolarHBondContact O-CD1 3.39Å
123	R	98.3	Very high	96.8	Very high	119 Å²	119	69.2 Å²	69.2	45%	0.449	37%	0.365	S	S	.	.			trans	-130.8	125.8	173.1	-64.6	-66.1	-168.9	-147.3	-2.4	108.7	Q121 Y152 P207	Q121-R123 PolarHBondContact O-N 2.91Å; R123-Y152 CarbonylContact C-O 3.46Å; R123-Y152 WeakPolarHBondContact CA-O 3.39Å; R123-P207 PolarHBondContact NE-O 2.8Å
124	V	98.3	Very high	96	Very high	41 Å²	41	73.3 Å²	73.3	25%	0.248	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-125.8	130.3	174	-172.2	0	0	0	0	108.7	R122 G150 F151 Y152 H206 S208	R122-V124 HydrophobicContact CG-CG2 4.32Å; V124-G150 WeakPolarHBondContact CG1-O 3.41Å; V124-F151 WeakPolarHBondContact O-CA 3.36Å; V124-Y152 PolarHBondContact N-O 3.35Å; V124-Y152 PolarHBondContact O-N 2.72Å; V124-H206 PolarHBondContact O-CE1 2.74Å; V124-H206 VanDerWaalsContact O-CE1 3.24Å; V124-S208 PolarHBondContact O-OG 2.92Å
125	H	97.9	Very high	94.7	Very high	120 Å²	120	75.3 Å²	75.3	56%	0.556	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-70.6	135.9	-175.4	-75.5	65.5	0	0	0	111.9	S208 V209	H125-S208 WeakPolarHBondContact CA-OG 3.13Å; H125-S208 PolarHBondContact CE1-O 3.24Å; H125-S208 PolarHBondContact NE2-O 3.43Å; H125-S208 VanDerWaalsContact NE2-O 3.15Å; H125-V209 WeakPolarHBondContact CD2-CG1 3.36Å
126	P	98.4	Very high	93.3	Very high	11 Å²	11	78.6 Å²	78.6	7%	0.071	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-69.6	136	172.9	25.1	-30.6	0	0	0	111.5	V128 V148 F151 V204 H206 L213	P126-V128 HydrophobicContact CB-CG2 4.39Å; P126-V148 HydrophobicContact CB-CG1 3.54Å; P126-F151 HydrophobicContact CB-CB 3.76Å; P126-F151 HydrophobicContact CB-CD1 4.12Å; P126-F151 HydrophobicContact CB-CG 4.22Å; P126-F151 HydrophobicContact CG-CB 4.41Å; P126-V204 HydrophobicContact CG-CG1 4.15Å; P126-H206 HydrophobicContact CG-CB 4.24Å; P126-L213 HydrophobicContact CG-CD1 3.72Å
127	K	98.1	Very high	91.8	Very high	146 Å²	146	78.8 Å²	78.8	64%	0.635	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.5	161.2	-176.2	179	179.7	-178.8	0	108.6	V148 S149	K127-V148 WeakPolarHBondContact O-CA 3.16Å; K127-S149 PolarHBondContact N-O 3.05Å; K127-S149 PolarHBondContact O-N 2.9Å; K127-S149 PolarHBondContact O-OG 3.4Å
128	V	98.4	Very high	90.2	Very high	24 Å²	24	76.4 Å²	76.4	15%	0.145	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.7	-178.3	-172.9	0	0	0	0	109.4	P126 S147 V148 V204 L213 V215	P126-V128 HydrophobicContact CB-CG2 4.39Å; V128-S147 CarbonylContact C-O 3.59Å; V128-S147 WeakPolarHBondContact CA-O 3.47Å; V128-V148 HydrophobicContact CG1-CG2 4.44Å; V128-V148 HydrophobicContact CG2-CG1 4.3Å; V128-V148 HydrophobicContact CG2-CG2 4.5Å; V128-V204 HydrophobicContact CG1-CG2 4.16Å; V128-V204 HydrophobicContact CG2-CB 4.28Å; V128-V204 HydrophobicContact CG2-CG2 3.76Å; V128-L213 HydrophobicContact CG2-CD1 4.27Å; V128-V215 HydrophobicContact CB-CG2 3.78Å; V128-V215 HydrophobicContact CG1-CB 4.08Å; V128-V215 HydrophobicContact CG1-CG2 3.58Å
129	T	97.3	Very high	88.9	Confident	62 Å²	62	77.6 Å²	77.6	38%	0.38	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.2	175.5	-54.1	0	0	0	0	109.4	Y131 S147	T129-Y131 HydrophobicContact CG2-CD1 4.09Å; T129-S147 PolarHBondContact N-O 2.62Å; T129-S147 PolarHBondContact O-N 3.47Å
130	V	96.8	Very high	87.9	Confident	20 Å²	20	80.8 Å²	80.8	12%	0.121	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.6	179.6	-178.6	0	0	0	0	110.1	V145 C146 W160 C202 V215 W217	V130-V145 VanDerWaalsContact CA-O 3.31Å; V130-V145 WeakPolarHBondContact CA-O 3.39Å; V130-C146 HydrophobicContact CG2-CB 4.32Å; V130-W160 HydrophobicContact CG1-CH2 3.59Å; V130-W160 HydrophobicContact CG1-CZ3 4.2Å; V130-W160 HydrophobicContact CG2-CH2 4.45Å; V130-C202 HydrophobicContact CG2-CB 3.63Å; V130-V215 HydrophobicContact CB-CG1 4.05Å; V130-V215 HydrophobicContact CG2-CB 3.88Å; V130-V215 HydrophobicContact CG2-CG1 3.66Å; V130-W217 HydrophobicContact CB-CB 4.36Å; V130-W217 HydrophobicContact CG1-CB 3.58Å; V130-W217 HydrophobicContact CG1-CG 4.23Å
131	Y	92.8	Very high	87.1	Confident	96 Å²	96	84.2 Å²	84.2	38%	0.376	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.3	179.6	57.1	-86.8	0	0	0	111.3	T129 V145	T129-Y131 HydrophobicContact CG2-CD1 4.09Å; Y131-V145 HydrophobicContact CD2-CB 4.25Å; Y131-V145 HydrophobicContact CE1-CB 4.38Å; Y131-V145 HydrophobicContact CE1-CG1 4.25Å; Y131-V145 HydrophobicContact CE2-CB 3.9Å; Y131-V145 HydrophobicContact CE2-CG1 4.17Å; Y131-V145 HydrophobicContact CE2-CG2 4.17Å; Y131-V145 PolarHBondContact N-O 2.99Å; Y131-V145 PolarHBondContact O-N 2.85Å
132	P	92.7	Very high	86.4	Confident	38 Å²	38	79.8 Å²	79.8	25%	0.247	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141.4	170.9	31.5	-33.4	0	0	0	110.2	K134 L144	P132-K134 PolarHBondContact O-N 3.35Å; P132-L144 HydrophobicContact CB-CD2 4.11Å
133	S	87.3	Confident	86.1	Confident	64 Å²	64	78.2 Å²	78.2	45%	0.448	39%	0.392	S	S	.	.	S	Bend	trans	-60.2	-34.7	177.1	175.3	0	0	0	0	112.2	L143	S133-L143 WeakPolarHBondContact CB-O 3.39Å; S133-L143 PolarHBondContact N-O 3.47Å
134	K	81.2	Confident	86	Confident	133 Å²	133	72.6 Å²	72.6	58%	0.578	37%	0.37	S	S	*	.	S	Bend	trans	-134.6	143.6	175.6	-64.2	-178.9	-177.8	176.1	0	110.4	P132 Q136 N142	P132-K134 PolarHBondContact O-N 3.35Å; K134-Q136 VanDerWaalsContact C-N 3.28Å; K134-Q136 HydrophobicContact CB-CG 4.22Å; K134-Q136 PolarHBondContact O-N 3.07Å; K134-N142 PolarHBondContact O-ND2 3.17Å; K134-N142 VanDerWaalsContact O-ND2 3.11Å
135	T	70.9	Confident	85.9	Confident	130 Å²	130	71 Å²	71	80%	0.798	36%	0.361	S	S	*	.			trans	-73	85.2	168.7	-37.2	0	0	0	0	108.4
136	Q	68	Low	85.9	Confident	77 Å²	77	65.3 Å²	65.3	36%	0.36	33%	0.334	S	S	.	.			trans	-109.9	152.1	175.9	-81.7	-171.2	4.2	0	0	111.1	K134 H141	K134-Q136 VanDerWaalsContact C-N 3.28Å; K134-Q136 HydrophobicContact CB-CG 4.22Å; K134-Q136 PolarHBondContact O-N 3.07Å; Q136-H141 PolarHBondContact OE1-O 3.39Å
137	P	66.3	Low	85.9	Confident	73 Å²	73	65.9 Å²	65.9	47%	0.474	34%	0.339	S	S	.	.			trans	-53.2	150.3	168.1	-21.3	30.9	0	0	0	111.5
138	L	65.1	Low	85.9	Confident	40 Å²	40	58.9 Å²	58.9	21%	0.209	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	158.7	170	-63.9	-179.6	0	0	0	110.7	H140 P194 A219	L138-H140 VanDerWaalsContact C-N 3.26Å; L138-H140 PolarHBondContact O-N 3.05Å; L138-P194 HydrophobicContact CD2-CB 4.03Å; L138-A219 HydrophobicContact CD2-CB 3.9Å
139	Q	68.1	Low	85.9	Confident	145 Å²	145	59.3 Å²	59.3	68%	0.678	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	17.8	-177.1	-48.7	174.4	-5.4	0	0	115	P194	Q139-P194 PolarHBondContact N-O 3.38Å
140	H	76.8	Confident	86	Confident	102 Å²	102	57.6 Å²	57.6	47%	0.472	31%	0.307	S	S	.	.	S	Bend	trans	-116.8	157.4	167.3	-66.2	-19.4	0	0	0	111.1	L138 N142	L138-H140 VanDerWaalsContact C-N 3.26Å; L138-H140 PolarHBondContact O-N 3.05Å; H140-N142 PolarHBondContact O-N 2.9Å
141	H	80.5	Confident	86	Confident	133 Å²	133	56.7 Å²	56.7	62%	0.616	30%	0.301	S	S	*	.			trans	-60.4	117.8	176.7	-78.2	-87.8	0	0	0	110.1	Q136 E191	Q136-H141 PolarHBondContact OE1-O 3.39Å; H141-E191 IonicContact ND1-OE1 3.77Å
142	N	84	Confident	86.3	Confident	17 Å²	17	54.2 Å²	54.2	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	157.2	177	-153.1	-20	0	0	0	110	K134 H140 T192 P194	K134-N142 PolarHBondContact O-ND2 3.17Å; K134-N142 VanDerWaalsContact O-ND2 3.11Å; H140-N142 PolarHBondContact O-N 2.9Å; N142-T192 PolarHBondContact N-O 2.85Å; N142-T192 PolarHBondContact O-N 2.96Å; N142-T192 VanDerWaalsContact O-O 3.04Å; N142-P194 HydrophobicContact CB-CG 4.33Å
143	L	91.1	Very high	86.6	Confident	52 Å²	52	53.6 Å²	53.6	27%	0.272	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.6	175.8	-168.4	72.1	0	0	0	107.4	S133 M189 L190 E191	S133-L143 WeakPolarHBondContact CB-O 3.39Å; S133-L143 PolarHBondContact N-O 3.47Å; L143-M189 HydrophobicContact CD1-CB 3.81Å; L143-M189 HydrophobicContact CD2-CB 4.06Å; L143-M189 HydrophobicContact CD2-CG 4.16Å; L143-M189 HydrophobicContact CD2-SD 3.85Å; L143-M189 HydrophobicContact CG-CB 3.87Å; L143-M189 HydrophobicContact CG-CG 4.38Å; L143-L190 WeakPolarHBondContact CA-O 3.43Å; L143-E191 HydrophobicContact CD1-CB 4.22Å
144	L	95.3	Very high	87.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	127.6	173.2	-66.5	-180	0	0	0	108.8	P132 W160 M189 L190 T192 Y200 W217	P132-L144 HydrophobicContact CB-CD2 4.11Å; L144-W160 HydrophobicContact CB-CH2 3.76Å; L144-W160 HydrophobicContact CB-CZ2 4.05Å; L144-W160 HydrophobicContact CB-CZ3 4.47Å; L144-M189 CarbonylContact O-C 3.49Å; L144-M189 WeakPolarHBondContact O-CA 3.5Å; L144-L190 HydrophobicContact CB-CB 4.48Å; L144-L190 PolarHBondContact N-O 3.06Å; L144-L190 PolarHBondContact O-N 2.95Å; L144-T192 HydrophobicContact CD1-CG2 3.97Å; L144-T192 HydrophobicContact CG-CG2 4.12Å; L144-Y200 HydrophobicContact CD1-CD1 3.61Å; L144-Y200 HydrophobicContact CD1-CD2 3.85Å; L144-Y200 HydrophobicContact CD1-CE1 4.12Å; L144-Y200 HydrophobicContact CD1-CE2 4.36Å; L144-Y200 HydrophobicContact CD1-CG 3.44Å; L144-Y200 VanDerWaalsContact CD1-CG 3.44Å; L144-W217 HydrophobicContact CD1-CD2 4.4Å; L144-W217 HydrophobicContact CD1-CE3 3.68Å; L144-W217 HydrophobicContact CD1-CZ3 3.89Å; L144-W217 HydrophobicContact CD2-CD2 3.79Å; L144-W217 HydrophobicContact CD2-CE3 3.75Å; L144-W217 HydrophobicContact CD2-CG 4.47Å; L144-W217 HydrophobicContact CD2-CH2 3.97Å; L144-W217 HydrophobicContact CD2-CZ2 4.02Å; L144-W217 HydrophobicContact CD2-CZ3 3.84Å; L144-W217 HydrophobicContact CG-CE3 4.4Å; L144-W217 HydrophobicContact CG-CZ3 4.47Å
145	V	97.1	Very high	87.9	Confident	8 Å²	8	48.1 Å²	48.1	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.9	-176.2	-174.3	0	0	0	0	108.8	V130 Y131 L187 M189	V130-V145 VanDerWaalsContact CA-O 3.31Å; V130-V145 WeakPolarHBondContact CA-O 3.39Å; Y131-V145 HydrophobicContact CD2-CB 4.25Å; Y131-V145 HydrophobicContact CE1-CB 4.38Å; Y131-V145 HydrophobicContact CE1-CG1 4.25Å; Y131-V145 HydrophobicContact CE2-CB 3.9Å; Y131-V145 HydrophobicContact CE2-CG1 4.17Å; Y131-V145 HydrophobicContact CE2-CG2 4.17Å; Y131-V145 PolarHBondContact N-O 2.99Å; Y131-V145 PolarHBondContact O-N 2.85Å; V145-L187 HydrophobicContact CG1-CD2 3.54Å; V145-M189 HydrophobicContact CG1-CG 4.32Å; V145-M189 HydrophobicContact CG2-CG 4.24Å
146	C	98.1	Very high	89.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	103.8	164.1	-174	0	0	0	0	108.4	V130 W160 V188 C202	V130-C146 HydrophobicContact CG2-CB 4.32Å; C146-W160 HydrophobicContact CB-CH2 4.23Å; C146-W160 HydrophobicContact CB-CZ2 3.57Å; C146-V188 WeakPolarHBondContact CB-O 3.44Å; C146-V188 PolarHBondContact N-O 3.4Å; C146-V188 PolarHBondContact O-N 2.64Å; C146-C202 HydrophobicContact CB-CB 3.64Å; C146-C202 WeakPolarHBondContact CB-SG 3.27Å; C146-C202 WeakPolarHBondContact SG-CB 3.31Å; C146-C202 CovalentContact SG-SG 2.02Å; C146-C202 PolarHBondContact SG-SG 2.84Å
147	S	98.1	Very high	90.6	Very high	23 Å²	23	44.7 Å²	44.7	16%	0.161	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.2	176.1	-177.5	0	0	0	0	109.2	V128 T129	V128-S147 CarbonylContact C-O 3.59Å; V128-S147 WeakPolarHBondContact CA-O 3.47Å; T129-S147 PolarHBondContact N-O 2.62Å; T129-S147 PolarHBondContact O-N 3.47Å
148	V	98.6	Very high	92.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.6	178.3	-169.7	0	0	0	0	107.9	P126 K127 V128 F151 I156 V158 Q185 T186 V204	P126-V148 HydrophobicContact CB-CG1 3.54Å; K127-V148 WeakPolarHBondContact O-CA 3.16Å; V128-V148 HydrophobicContact CG1-CG2 4.44Å; V128-V148 HydrophobicContact CG2-CG1 4.3Å; V128-V148 HydrophobicContact CG2-CG2 4.5Å; V148-F151 HydrophobicContact CB-CE1 4.32Å; V148-F151 HydrophobicContact CG1-CD1 3.88Å; V148-F151 HydrophobicContact CG1-CE1 3.87Å; V148-I156 HydrophobicContact CG1-CD1 3.61Å; V148-V158 HydrophobicContact CG2-CG1 4.35Å; V148-V158 HydrophobicContact CG2-CG2 4.07Å; V148-Q185 CarbonylContact O-C 3.59Å; V148-Q185 VanDerWaalsContact O-CA 3.24Å; V148-Q185 WeakPolarHBondContact O-CA 3.35Å; V148-T186 HydrophobicContact CB-CG2 4.07Å; V148-T186 PolarHBondContact N-O 2.87Å; V148-T186 PolarHBondContact O-N 2.85Å; V148-V204 HydrophobicContact CG1-CG1 4.18Å; V148-V204 HydrophobicContact CG1-CG2 4.44Å; V148-V204 HydrophobicContact CG2-CG2 3.82Å
149	S	98.2	Very high	93.7	Very high	33 Å²	33	43.2 Å²	43.2	23%	0.231	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.5	-168.2	63.5	0	0	0	0	113.1	K127 F151	K127-S149 PolarHBondContact N-O 3.05Å; K127-S149 PolarHBondContact O-N 2.9Å; K127-S149 PolarHBondContact O-OG 3.4Å; S149-F151 VanDerWaalsContact C-N 3.35Å; S149-F151 PolarHBondContact O-N 3.27Å
150	G	98.1	Very high	95.1	Very high	26 Å²	26	36.4 Å²	36.4	27%	0.268	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.8	18.9	170.2	0	0	0	0	0	114.5	V124 F184	V124-G150 WeakPolarHBondContact CG1-O 3.41Å; G150-F184 PolarHBondContact N-O 3.34Å
151	F	98.6	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	160.8	-176.7	61.1	-87.6	0	0	0	113	V124 P126 V148 S149 P153 I156 L176 T183 F184 T186 H206	V124-F151 WeakPolarHBondContact O-CA 3.36Å; P126-F151 HydrophobicContact CB-CB 3.76Å; P126-F151 HydrophobicContact CB-CD1 4.12Å; P126-F151 HydrophobicContact CB-CG 4.22Å; P126-F151 HydrophobicContact CG-CB 4.41Å; V148-F151 HydrophobicContact CB-CE1 4.32Å; V148-F151 HydrophobicContact CG1-CD1 3.88Å; V148-F151 HydrophobicContact CG1-CE1 3.87Å; S149-F151 VanDerWaalsContact C-N 3.35Å; S149-F151 PolarHBondContact O-N 3.27Å; F151-P153 WeakPolarHBondContact CD2-O 3.4Å; F151-I156 HydrophobicContact CD1-CD1 3.97Å; F151-I156 HydrophobicContact CD2-CB 4.48Å; F151-I156 HydrophobicContact CD2-CD1 3.84Å; F151-I156 HydrophobicContact CE1-CD1 3.77Å; F151-I156 HydrophobicContact CE2-CB 3.89Å; F151-I156 HydrophobicContact CE2-CD1 3.65Å; F151-I156 HydrophobicContact CE2-CG1 4.38Å; F151-I156 HydrophobicContact CE2-CG2 3.8Å; F151-I156 HydrophobicContact CG-CD1 4.01Å; F151-I156 HydrophobicContact CZ-CB 4.31Å; F151-I156 HydrophobicContact CZ-CD1 3.62Å; F151-I156 HydrophobicContact CZ-CG2 3.84Å; F151-L176 HydrophobicContact CE2-CD1 3.92Å; F151-L176 HydrophobicContact CZ-CD1 3.82Å; F151-T183 CarbonylContact O-C 3.51Å; F151-T183 WeakPolarHBondContact O-CA 3.4Å; F151-F184 HydrophobicContact CD1-CB 4.48Å; F151-F184 WeakPolarHBondContact CD1-O 3.49Å; F151-F184 HydrophobicContact CD2-CB 3.92Å; F151-F184 HydrophobicContact CE1-CB 4.14Å; F151-F184 WeakPolarHBondContact CE1-O 3.49Å; F151-F184 HydrophobicContact CE2-CB 3.52Å; F151-F184 HydrophobicContact CE2-CG 4.35Å; F151-F184 HydrophobicContact CG-CB 4.37Å; F151-F184 HydrophobicContact CZ-CB 3.64Å; F151-F184 PolarHBondContact N-O 3.15Å; F151-F184 WeakPolarHBondContact O-CD2 3.48Å; F151-F184 PolarHBondContact O-N 2.89Å; F151-T186 HydrophobicContact CE1-CG2 4.37Å; F151-T186 HydrophobicContact CZ-CG2 4.27Å; F151-H206 AromaticContact CD2-CD2 3.9Å; F151-H206 AromaticContact CD2-NE2 3.75Å
152	Y	98.6	Very high	96.9	Very high	44 Å²	44	29.9 Å²	29.9	17%	0.173	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-156.3	138.9	172.3	-173.7	-80.2	0	0	0	109.8	T119 R122 R123 V124 W182 F184 H206	T119-Y152 PolarHBondContact O-OH 3.06Å; R122-Y152 HydrophobicContact CB-CD1 3.82Å; R122-Y152 HydrophobicContact CB-CE1 3.74Å; R122-Y152 HydrophobicContact CG-CD1 3.6Å; R122-Y152 HydrophobicContact CG-CE1 3.96Å; R122-Y152 HydrophobicContact CG-CG 4.27Å; R122-Y152 WeakPolarHBondContact O-CD1 3.39Å; R123-Y152 CarbonylContact C-O 3.46Å; R123-Y152 WeakPolarHBondContact CA-O 3.39Å; V124-Y152 PolarHBondContact N-O 3.35Å; V124-Y152 PolarHBondContact O-N 2.72Å; Y152-W182 WeakPolarHBondContact CD2-O 3.49Å; Y152-W182 HydrophobicContact CE2-CE3 4.2Å; Y152-F184 HydrophobicContact CD2-CD2 4.02Å; Y152-F184 AromaticContact CD2-CE2 3.56Å; Y152-F184 HydrophobicContact CD2-CE2 3.56Å; Y152-F184 AromaticContact CE2-CE2 3.88Å; Y152-F184 HydrophobicContact CE2-CE2 3.88Å; Y152-F184 HydrophobicContact CG-CE2 4.44Å; Y152-H206 PolarHBondContact O-CE1 2.79Å; Y152-H206 PolarHBondContact O-NE2 2.96Å
153	P	98.4	Very high	97.4	Very high	25 Å²	25	33.6 Å²	33.6	16%	0.162	18%	0.184	C	C	.	.	S	Bend	cis	-77.9	-174.8	3.3	36	-40.4	0	0	0	113	F151 S155 H206	F151-P153 WeakPolarHBondContact CD2-O 3.4Å; P153-S155 VanDerWaalsContact C-N 3.28Å; P153-S155 PolarHBondContact O-N 3.13Å; P153-H206 PolarHBondContact O-NE2 3.49Å
154	G	97.9	Very high	97.5	Very high	15 Å²	15	34 Å²	34	16%	0.155	20%	0.201	C	C	.	.	S	Bend	trans	-72.1	-15.1	-176.9	0	0	0	0	0	115.6	I156 L176 F184	G154-I156 PolarHBondContact O-N 3.45Å; G154-L176 WeakPolarHBondContact O-CD1 3.41Å; G154-F184 VanDerWaalsContact N-CE2 3.33Å
155	S	97.6	Very high	97.6	Very high	68 Å²	68	41 Å²	41	48%	0.476	23%	0.234	S	C	.	.			trans	-69.7	111	178.9	59.1	0	0	0	0	110.6	P153 H206 P207	P153-S155 VanDerWaalsContact C-N 3.28Å; P153-S155 PolarHBondContact O-N 3.13Å; S155-H206 PolarHBondContact O-CD2 3.24Å; S155-H206 VanDerWaalsContact O-CD2 3.27Å; S155-P207 VanDerWaalsContact O-CD 3.28Å; S155-P207 WeakPolarHBondContact O-CD 3.29Å
156	I	98.2	Very high	97.6	Very high	45 Å²	45	44.8 Å²	44.8	23%	0.231	25%	0.251	C	S	.	.			trans	-147.4	147.1	-176.5	-164.7	164.7	0	0	0	110.3	V148 F151 G154 V158 V204 E205 H206	V148-I156 HydrophobicContact CG1-CD1 3.61Å; F151-I156 HydrophobicContact CD1-CD1 3.97Å; F151-I156 HydrophobicContact CD2-CB 4.48Å; F151-I156 HydrophobicContact CD2-CD1 3.84Å; F151-I156 HydrophobicContact CE1-CD1 3.77Å; F151-I156 HydrophobicContact CE2-CB 3.89Å; F151-I156 HydrophobicContact CE2-CD1 3.65Å; F151-I156 HydrophobicContact CE2-CG1 4.38Å; F151-I156 HydrophobicContact CE2-CG2 3.8Å; F151-I156 HydrophobicContact CG-CD1 4.01Å; F151-I156 HydrophobicContact CZ-CB 4.31Å; F151-I156 HydrophobicContact CZ-CD1 3.62Å; F151-I156 HydrophobicContact CZ-CG2 3.84Å; G154-I156 PolarHBondContact O-N 3.45Å; I156-V158 HydrophobicContact CD1-CG2 4.33Å; I156-V158 HydrophobicContact CG1-CG2 4.16Å; I156-V204 HydrophobicContact CD1-CG1 3.72Å; I156-V204 HydrophobicContact CG1-CG1 3.93Å; I156-E205 WeakPolarHBondContact CG1-O 3.39Å; I156-H206 HydrophobicContact CD1-CB 4.47Å; I156-H206 HydrophobicContact CG1-CB 4.25Å
157	E	98.1	Very high	97.6	Very high	90 Å²	90	46.7 Å²	46.7	42%	0.421	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.8	170	-171.1	179.8	155.5	0	0	109.2	R159 V204 E205	E157-R159 HydrophobicContact CG-CG 4.33Å; E157-R159 WeakPolarHBondContact OE1-CD 3.21Å; E157-R159 IonicContact OE1-CZ 3.42Å; E157-R159 IonicContact OE1-NE 2.68Å; E157-R159 IonicContact OE1-NH1 2.64Å; E157-R159 PolarHBondContact OE1-NH1 3.23Å; E157-V204 WeakPolarHBondContact O-CA 3.22Å; E157-E205 HydrophobicContact CB-CB 4.27Å; E157-E205 PolarHBondContact N-O 3.27Å; E157-E205 PolarHBondContact O-N 2.78Å
158	V	98.4	Very high	97.5	Very high	26 Å²	26	52.7 Å²	52.7	16%	0.158	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121	-178.3	-177.1	0	0	0	0	108.3	V148 I156 T186 V188 C202 Q203 V204	V148-V158 HydrophobicContact CG2-CG1 4.35Å; V148-V158 HydrophobicContact CG2-CG2 4.07Å; I156-V158 HydrophobicContact CD1-CG2 4.33Å; I156-V158 HydrophobicContact CG1-CG2 4.16Å; V158-T186 HydrophobicContact CG2-CG2 4.31Å; V158-V188 HydrophobicContact CB-CB 4.39Å; V158-V188 HydrophobicContact CB-CG2 3.77Å; V158-V188 HydrophobicContact CG1-CB 3.81Å; V158-V188 HydrophobicContact CG1-CG1 4.25Å; V158-V188 HydrophobicContact CG1-CG2 3.7Å; V158-V188 HydrophobicContact CG2-CG2 4.29Å; V158-C202 VanDerWaalsContact CG1-SG 3.59Å; V158-Q203 CarbonylContact C-O 3.58Å; V158-Q203 WeakPolarHBondContact CA-O 3.41Å; V158-V204 HydrophobicContact CG1-CG2 4.26Å; V158-V204 HydrophobicContact CG2-CG1 4.42Å; V158-V204 HydrophobicContact CG2-CG2 4.23Å
159	R	98.3	Very high	97.3	Very high	55 Å²	55	57.9 Å²	57.9	21%	0.208	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.6	-176.9	-64.6	-172.6	-64.5	-127.4	5.9	111.1	E157 F161 E166 Q203 E205	E157-R159 HydrophobicContact CG-CG 4.33Å; E157-R159 WeakPolarHBondContact OE1-CD 3.21Å; E157-R159 IonicContact OE1-CZ 3.42Å; E157-R159 IonicContact OE1-NE 2.68Å; E157-R159 IonicContact OE1-NH1 2.64Å; E157-R159 PolarHBondContact OE1-NH1 3.23Å; R159-F161 HydrophobicContact CB-CD2 4.47Å; R159-F161 HydrophobicContact CB-CE2 3.73Å; R159-F161 HydrophobicContact CB-CZ 4.43Å; R159-E166 WeakPolarHBondContact CD-OE1 3.47Å; R159-Q203 PolarHBondContact N-O 3Å; R159-Q203 PolarHBondContact O-N 2.66Å; R159-E205 IonicContact CZ-OE1 3.4Å; R159-E205 IonicContact NH1-OE1 3.74Å; R159-E205 PolarHBondContact NH1-OE1 3.19Å; R159-E205 IonicContact NH2-OE1 3.77Å; R159-E205 PolarHBondContact NH2-OE1 3.22Å
160	W	98.3	Very high	97	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.2	172.6	-85.6	107.7	0	0	0	110.7	V130 L144 C146 E166 E167 V171 V188 L190 T201 C202	V130-W160 HydrophobicContact CG1-CH2 3.59Å; V130-W160 HydrophobicContact CG1-CZ3 4.2Å; V130-W160 HydrophobicContact CG2-CH2 4.45Å; L144-W160 HydrophobicContact CB-CH2 3.76Å; L144-W160 HydrophobicContact CB-CZ2 4.05Å; L144-W160 HydrophobicContact CB-CZ3 4.47Å; C146-W160 HydrophobicContact CB-CH2 4.23Å; C146-W160 HydrophobicContact CB-CZ2 3.57Å; W160-E166 CarbonylContact O-C 3.53Å; W160-E166 WeakPolarHBondContact O-CA 3.45Å; W160-E167 HydrophobicContact CB-CB 4.27Å; W160-E167 PolarHBondContact O-N 3.45Å; W160-V171 HydrophobicContact CB-CG2 4.33Å; W160-V188 PolarHBondContact NE1-O 2.98Å; W160-L190 HydrophobicContact CB-CD2 4.26Å; W160-L190 HydrophobicContact CD2-CB 3.95Å; W160-L190 HydrophobicContact CD2-CD2 4.15Å; W160-L190 HydrophobicContact CE3-CD2 4.2Å; W160-L190 HydrophobicContact CG-CB 3.95Å; W160-L190 HydrophobicContact CG-CD2 4.21Å; W160-L190 HydrophobicContact CZ2-CB 4.37Å; W160-T201 CarbonylContact C-O 3.59Å; W160-C202 HydrophobicContact CE3-CB 4.38Å; W160-C202 HydrophobicContact CH2-CB 4.37Å; W160-C202 HydrophobicContact CZ3-CB 4.23Å
161	F	98	Very high	97	Very high	36 Å²	36	59 Å²	59	16%	0.158	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.2	172	-64.4	-102.9	0	0	0	110	R159 Q165 E166 Y200 T201 Q203	R159-F161 HydrophobicContact CB-CD2 4.47Å; R159-F161 HydrophobicContact CB-CE2 3.73Å; R159-F161 HydrophobicContact CB-CZ 4.43Å; F161-Q165 CarbonylContact C-O 3.51Å; F161-Q165 WeakPolarHBondContact CA-O 3.42Å; F161-E166 HydrophobicContact CD1-CB 4.09Å; F161-E166 HydrophobicContact CE1-CB 3.82Å; F161-E166 HydrophobicContact CE1-CG 4.32Å; F161-E166 HydrophobicContact CZ-CB 4.3Å; F161-E166 HydrophobicContact CZ-CG 4.31Å; F161-Y200 CarbonylContact O-C 3.47Å; F161-Y200 VanDerWaalsContact O-CA 3.29Å; F161-Y200 WeakPolarHBondContact O-CA 3.23Å; F161-T201 PolarHBondContact N-O 3.5Å; F161-T201 PolarHBondContact O-N 2.94Å; F161-Q203 HydrophobicContact CD2-CB 4.11Å; F161-Q203 HydrophobicContact CE2-CB 3.7Å; F161-Q203 HydrophobicContact CE2-CG 4.45Å; F161-Q203 VanDerWaalsContact CZ-OE1 3.32Å
162	R	96.1	Very high	96.8	Very high	62 Å²	62	62.8 Å²	62.8	23%	0.234	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.5	170.3	-178.2	-174	-173.8	165.2	6	108.4	G164 Q165 E167 E198 Y200	R162-G164 PolarHBondContact O-N 2.94Å; R162-G164 VanDerWaalsContact O-N 3.09Å; R162-Q165 PolarHBondContact N-O 2.94Å; R162-Q165 PolarHBondContact O-N 2.72Å; R162-E167 HydrophobicContact CB-CG 3.59Å; R162-E167 WeakPolarHBondContact CB-OE1 3.32Å; R162-E167 WeakPolarHBondContact CD-OE1 3.5Å; R162-E198 IonicContact CZ-OE1 3.93Å; R162-E198 IonicContact CZ-OE2 2.86Å; R162-E198 IonicContact NE-OE1 3.28Å; R162-E198 PolarHBondContact NE-OE1 3.38Å; R162-E198 IonicContact NE-OE2 3.96Å; R162-E198 VanDerWaalsContact NH2-CD 3.35Å; R162-E198 IonicContact NH2-OE1 3.87Å; R162-E198 PolarHBondContact NH2-OE1 2.97Å; R162-E198 IonicContact NH2-OE2 3.76Å; R162-E198 PolarHBondContact NH2-OE2 2.79Å; R162-Y200 HydrophobicContact CB-CD1 4.25Å; R162-Y200 HydrophobicContact CB-CE1 4.15Å; R162-Y200 HydrophobicContact CG-CD1 4.26Å; R162-Y200 HydrophobicContact CG-CE1 3.8Å; R162-Y200 PolarHBondContact NE-OH 2.91Å
163	N	94.8	Very high	96.7	Very high	95 Å²	95	63.7 Å²	63.7	51%	0.508	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	35.8	-176.9	-56	-34.8	0	0	0	113.1	V199	N163-V199 PolarHBondContact N-O 2.86Å; N163-V199 PolarHBondContact OD1-N 3.2Å; N163-V199 PolarHBondContact OD1-O 2.93Å
164	G	93.8	Very high	96.6	Very high	61 Å²	61	65.6 Å²	65.6	63%	0.629	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-4	-179.4	0	0	0	0	0	116	R162	R162-G164 PolarHBondContact O-N 2.94Å; R162-G164 VanDerWaalsContact O-N 3.09Å
165	Q	96.6	Very high	96.5	Very high	148 Å²	148	66.6 Å²	66.6	69%	0.692	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.5	173.9	-66	-172	-16.2	0	0	110.9	F161 R162 E167	F161-Q165 CarbonylContact C-O 3.51Å; F161-Q165 WeakPolarHBondContact CA-O 3.42Å; R162-Q165 PolarHBondContact N-O 2.94Å; R162-Q165 PolarHBondContact O-N 2.72Å; Q165-E167 PolarHBondContact O-N 2.75Å
166	E	97.6	Very high	96.5	Very high	86 Å²	86	66.9 Å²	66.9	40%	0.402	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128	179.8	-168.6	-170.9	177.7	0	0	110.8	R159 W160 F161 K168	R159-E166 WeakPolarHBondContact CD-OE1 3.47Å; W160-E166 CarbonylContact O-C 3.53Å; W160-E166 WeakPolarHBondContact O-CA 3.45Å; F161-E166 HydrophobicContact CD1-CB 4.09Å; F161-E166 HydrophobicContact CE1-CB 3.82Å; F161-E166 HydrophobicContact CE1-CG 4.32Å; F161-E166 HydrophobicContact CZ-CB 4.3Å; F161-E166 HydrophobicContact CZ-CG 4.31Å; E166-K168 HydrophobicContact CG-CG 4.49Å; E166-K168 WeakPolarHBondContact OE1-CE 3.44Å; E166-K168 IonicContact OE1-NZ 3.34Å; E166-K168 WeakPolarHBondContact OE2-CE 3.37Å; E166-K168 IonicContact OE2-NZ 3.73Å; E166-K168 PolarHBondContact OE2-NZ 2.7Å
167	E	96.6	Very high	96.5	Very high	41 Å²	41	67.7 Å²	67.7	19%	0.192	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.1	177.1	-70.8	-70.8	-176.5	0	0	109.8	W160 R162 Q165 V171 L190	W160-E167 HydrophobicContact CB-CB 4.27Å; W160-E167 PolarHBondContact O-N 3.45Å; R162-E167 HydrophobicContact CB-CG 3.59Å; R162-E167 WeakPolarHBondContact CB-OE1 3.32Å; R162-E167 WeakPolarHBondContact CD-OE1 3.5Å; Q165-E167 PolarHBondContact O-N 2.75Å; E167-V171 VanDerWaalsContact O-CG2 3.32Å; E167-V171 WeakPolarHBondContact O-CG2 3.33Å; E167-L190 HydrophobicContact CB-CD1 4.08Å; E167-L190 HydrophobicContact CB-CD2 4.48Å
168	K	95.9	Very high	96.5	Very high	148 Å²	148	70 Å²	70	64%	0.643	39%	0.389	S	S	*	.			trans	-113.3	-30.9	177.3	-62.2	-175.4	-178.9	-179.6	0	112.4	E166	E166-K168 HydrophobicContact CG-CG 4.49Å; E166-K168 WeakPolarHBondContact OE1-CE 3.44Å; E166-K168 IonicContact OE1-NZ 3.34Å; E166-K168 WeakPolarHBondContact OE2-CE 3.37Å; E166-K168 IonicContact OE2-NZ 3.73Å; E166-K168 PolarHBondContact OE2-NZ 2.7Å
169	T	95.1	Very high	96.4	Very high	110 Å²	110	71.6 Å²	71.6	68%	0.675	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	133.6	178.6	49	0	0	0	0	110.5	V171	T169-V171 PolarHBondContact O-N 3.23Å
170	G	92.2	Very high	96.3	Very high	32 Å²	32	72.7 Å²	72.7	33%	0.33	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	9.7	-178.9	0	0	0	0	0	114.4	E191	G170-E191 PolarHBondContact O-N 2.98Å
171	V	97	Very high	96.3	Very high	50 Å²	50	77.2 Å²	77.2	30%	0.303	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.4	173.4	-179.6	0	0	0	0	110.3	W160 E167 T169 V188 M189 L190	W160-V171 HydrophobicContact CB-CG2 4.33Å; E167-V171 VanDerWaalsContact O-CG2 3.32Å; E167-V171 WeakPolarHBondContact O-CG2 3.33Å; T169-V171 PolarHBondContact O-N 3.23Å; V171-V188 HydrophobicContact CG1-CG1 3.59Å; V171-M189 CarbonylContact C-O 3.55Å; V171-M189 VanDerWaalsContact CA-O 3.26Å; V171-M189 WeakPolarHBondContact CA-O 3.37Å; V171-L190 HydrophobicContact CG2-CD1 3.73Å
172	V	96.1	Very high	96.3	Very high	80 Å²	80	82.1 Å²	82.1	49%	0.485	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.1	178.8	-176.8	0	0	0	0	109.4	M189	V172-M189 HydrophobicContact CB-CE 4.19Å; V172-M189 HydrophobicContact CG1-CE 3.96Å; V172-M189 PolarHBondContact N-O 3.21Å; V172-M189 PolarHBondContact O-N 3.09Å
173	S	96.6	Very high	96.4	Very high	63 Å²	63	80.1 Å²	80.1	44%	0.441	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.6	176.5	177.5	0	0	0	0	111	G175 T186 L187	S173-G175 PolarHBondContact O-N 3.18Å; S173-G175 PolarHBondContact OG-N 2.98Å; S173-T186 PolarHBondContact OG-OG1 3.17Å; S173-L187 WeakPolarHBondContact CA-O 3.43Å
174	T	94.9	Very high	96.5	Very high	65 Å²	65	76.6 Å²	76.6	40%	0.399	44%	0.442	S	S	.	.			trans	-72.2	-6.9	167.9	55.7	0	0	0	0	113.4	L187 M189	T174-L187 HydrophobicContact CG2-CB 3.77Å; T174-L187 HydrophobicContact CG2-CD1 4.04Å; T174-L187 HydrophobicContact CG2-CG 4.48Å; T174-L187 PolarHBondContact N-O 3.35Å; T174-L187 PolarHBondContact OG1-N 3.27Å; T174-M189 HydrophobicContact CG2-CE 4.18Å
175	G	96.2	Very high	96.8	Very high	35 Å²	35	76.8 Å²	76.8	36%	0.361	43%	0.427	S	S	.	.			trans	73.2	-170.7	-163.4	0	0	0	0	0	111.9	S173 T186	S173-G175 PolarHBondContact O-N 3.18Å; S173-G175 PolarHBondContact OG-N 2.98Å; G175-T186 WeakPolarHBondContact O-CB 3.43Å; G175-T186 PolarHBondContact O-OG1 3.47Å
176	L	97.6	Very high	96.8	Very high	74 Å²	74	70 Å²	70	39%	0.387	40%	0.396	S	S	.	.			trans	-86.7	123.6	-178.6	-172.7	69.7	0	0	0	110.5	F151 G154 F184	F151-L176 HydrophobicContact CE2-CD1 3.92Å; F151-L176 HydrophobicContact CZ-CD1 3.82Å; G154-L176 WeakPolarHBondContact O-CD1 3.41Å; L176-F184 HydrophobicContact CD1-CB 3.8Å; L176-F184 HydrophobicContact CD1-CD1 3.65Å; L176-F184 HydrophobicContact CD1-CE1 4.43Å; L176-F184 HydrophobicContact CD1-CG 3.97Å; L176-F184 HydrophobicContact CD2-CD1 3.68Å; L176-F184 HydrophobicContact CD2-CE1 3.63Å; L176-F184 HydrophobicContact CG-CD1 3.55Å; L176-F184 HydrophobicContact CG-CE1 4Å; L176-F184 HydrophobicContact CG-CG 4.37Å
177	I	97.9	Very high	96.8	Very high	63 Å²	63	68 Å²	68	32%	0.323	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.3	179.5	-58.6	169.2	0	0	0	109	F184 Q185	I177-F184 WeakPolarHBondContact O-CA 3.47Å; I177-Q185 HydrophobicContact CB-CG 3.71Å; I177-Q185 WeakPolarHBondContact CB-O 3.49Å; I177-Q185 HydrophobicContact CD1-CG 4.22Å; I177-Q185 HydrophobicContact CG2-CG 3.95Å; I177-Q185 PolarHBondContact N-O 2.8Å; I177-Q185 PolarHBondContact O-N 3.15Å
178	H	97.6	Very high	96.9	Very high	138 Å²	138	66.5 Å²	66.5	64%	0.639	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	121.3	175.2	-67.8	-115.2	0	0	0	110.1	F184	H178-F184 AromaticContact CD2-CE1 3.83Å; H178-F184 AromaticContact CE1-CE1 3.27Å; H178-F184 WeakPolarHBondContact CE1-CE1 3.43Å; H178-F184 AromaticContact CE1-CZ 3.8Å; H178-F184 AromaticContact CG-CE1 3.64Å; H178-F184 AromaticContact ND1-CE1 3.26Å; H178-F184 VanDerWaalsContact ND1-CE1 3.26Å; H178-F184 WeakPolarHBondContact ND1-CE1 3.03Å; H178-F184 AromaticContact ND1-CZ 3.8Å; H178-F184 AromaticContact NE2-CE1 3.6Å
179	N	97.3	Very high	97	Very high	59 Å²	59	61 Å²	61	32%	0.316	36%	0.358	S	S	.	.			trans	-83.6	-15.2	-175.7	-65.9	-24.7	0	0	0	114.1	D181 T183 Q185	N179-D181 VanDerWaalsContact C-N 3.29Å; N179-D181 WeakPolarHBondContact CB-OD1 3.29Å; N179-T183 WeakPolarHBondContact CB-O 3.16Å; N179-T183 PolarHBondContact N-O 2.7Å; N179-T183 PolarHBondContact ND2-OG1 3.32Å; N179-Q185 WeakPolarHBondContact OD1-CG 3.38Å; N179-Q185 PolarHBondContact OD1-NE2 2.94Å
180	G	96.6	Very high	97.1	Very high	79 Å²	79	56 Å²	56	81%	0.814	33%	0.327	S	S	*	.	S	Bend	trans	83.4	-3	-175.2	0	0	0	0	0	114.8
181	D	97.5	Very high	97.2	Very high	96 Å²	96	59.8 Å²	59.8	51%	0.513	34%	0.336	S	S	.	.	S	Bend	trans	-112.5	23.2	-179.1	70.1	-10.1	0	0	0	113.2	N179 T183	N179-D181 VanDerWaalsContact C-N 3.29Å; N179-D181 WeakPolarHBondContact CB-OD1 3.29Å; D181-T183 VanDerWaalsContact C-N 3.27Å; D181-T183 PolarHBondContact O-N 2.92Å; D181-T183 WeakPolarHBondContact OD1-CB 3.38Å; D181-T183 PolarHBondContact OD1-N 3.33Å; D181-T183 PolarHBondContact OD1-OG1 2.86Å; D181-T183 PolarHBondContact OD2-OG1 2.92Å
182	W	97.4	Very high	97	Very high	139 Å²	139	58 Å²	58	53%	0.527	33%	0.326	S	S	.	.	S	Bend	trans	64.2	27.7	-173.4	-62.5	65.7	0	0	0	114.4	T119 Y152	T119-W182 HydrophobicContact CG2-CH2 3.79Å; T119-W182 HydrophobicContact CG2-CZ3 3.88Å; Y152-W182 WeakPolarHBondContact CD2-O 3.49Å; Y152-W182 HydrophobicContact CE2-CE3 4.2Å
183	T	98.3	Very high	96.7	Very high	20 Å²	20	56.4 Å²	56.4	12%	0.123	32%	0.316	C	S	.	.			trans	-129.2	164	168.1	74.3	0	0	0	0	112	F151 N179 D181	F151-T183 CarbonylContact O-C 3.51Å; F151-T183 WeakPolarHBondContact O-CA 3.4Å; N179-T183 WeakPolarHBondContact CB-O 3.16Å; N179-T183 PolarHBondContact N-O 2.7Å; N179-T183 PolarHBondContact ND2-OG1 3.32Å; D181-T183 VanDerWaalsContact C-N 3.27Å; D181-T183 PolarHBondContact O-N 2.92Å; D181-T183 WeakPolarHBondContact OD1-CB 3.38Å; D181-T183 PolarHBondContact OD1-N 3.33Å; D181-T183 PolarHBondContact OD1-OG1 2.86Å; D181-T183 PolarHBondContact OD2-OG1 2.92Å
184	F	98.6	Very high	96.4	Very high	21 Å²	21	53.6 Å²	53.6	9%	0.092	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	159.6	179.1	-65.7	-88	0	0	0	111.4	G150 F151 Y152 G154 L176 I177 H178	G150-F184 PolarHBondContact N-O 3.34Å; F151-F184 HydrophobicContact CD1-CB 4.48Å; F151-F184 WeakPolarHBondContact CD1-O 3.49Å; F151-F184 HydrophobicContact CD2-CB 3.92Å; F151-F184 HydrophobicContact CE1-CB 4.14Å; F151-F184 WeakPolarHBondContact CE1-O 3.49Å; F151-F184 HydrophobicContact CE2-CB 3.52Å; F151-F184 HydrophobicContact CE2-CG 4.35Å; F151-F184 HydrophobicContact CG-CB 4.37Å; F151-F184 HydrophobicContact CZ-CB 3.64Å; F151-F184 PolarHBondContact N-O 3.15Å; F151-F184 WeakPolarHBondContact O-CD2 3.48Å; F151-F184 PolarHBondContact O-N 2.89Å; Y152-F184 HydrophobicContact CD2-CD2 4.02Å; Y152-F184 AromaticContact CD2-CE2 3.56Å; Y152-F184 HydrophobicContact CD2-CE2 3.56Å; Y152-F184 AromaticContact CE2-CE2 3.88Å; Y152-F184 HydrophobicContact CE2-CE2 3.88Å; Y152-F184 HydrophobicContact CG-CE2 4.44Å; G154-F184 VanDerWaalsContact N-CE2 3.33Å; L176-F184 HydrophobicContact CD1-CB 3.8Å; L176-F184 HydrophobicContact CD1-CD1 3.65Å; L176-F184 HydrophobicContact CD1-CE1 4.43Å; L176-F184 HydrophobicContact CD1-CG 3.97Å; L176-F184 HydrophobicContact CD2-CD1 3.68Å; L176-F184 HydrophobicContact CD2-CE1 3.63Å; L176-F184 HydrophobicContact CG-CD1 3.55Å; L176-F184 HydrophobicContact CG-CE1 4Å; L176-F184 HydrophobicContact CG-CG 4.37Å; I177-F184 WeakPolarHBondContact O-CA 3.47Å; H178-F184 AromaticContact CD2-CE1 3.83Å; H178-F184 AromaticContact CE1-CE1 3.27Å; H178-F184 WeakPolarHBondContact CE1-CE1 3.43Å; H178-F184 AromaticContact CE1-CZ 3.8Å; H178-F184 AromaticContact CG-CE1 3.64Å; H178-F184 AromaticContact ND1-CE1 3.26Å; H178-F184 VanDerWaalsContact ND1-CE1 3.26Å; H178-F184 WeakPolarHBondContact ND1-CE1 3.03Å; H178-F184 AromaticContact ND1-CZ 3.8Å; H178-F184 AromaticContact NE2-CE1 3.6Å
185	Q	98.3	Very high	96	Very high	65 Å²	65	58.1 Å²	58.1	30%	0.304	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.3	167	65.4	-177.6	-46.5	0	0	111.4	V148 I177 N179	V148-Q185 CarbonylContact O-C 3.59Å; V148-Q185 VanDerWaalsContact O-CA 3.24Å; V148-Q185 WeakPolarHBondContact O-CA 3.35Å; I177-Q185 HydrophobicContact CB-CG 3.71Å; I177-Q185 WeakPolarHBondContact CB-O 3.49Å; I177-Q185 HydrophobicContact CD1-CG 4.22Å; I177-Q185 HydrophobicContact CG2-CG 3.95Å; I177-Q185 PolarHBondContact N-O 2.8Å; I177-Q185 PolarHBondContact O-N 3.15Å; N179-Q185 WeakPolarHBondContact OD1-CG 3.38Å; N179-Q185 PolarHBondContact OD1-NE2 2.94Å
186	T	98.4	Very high	95.5	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.043	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	146.5	171.8	-169.6	0	0	0	0	109.9	V148 F151 V158 S173 G175 V188	V148-T186 HydrophobicContact CB-CG2 4.07Å; V148-T186 PolarHBondContact N-O 2.87Å; V148-T186 PolarHBondContact O-N 2.85Å; F151-T186 HydrophobicContact CE1-CG2 4.37Å; F151-T186 HydrophobicContact CZ-CG2 4.27Å; V158-T186 HydrophobicContact CG2-CG2 4.31Å; S173-T186 PolarHBondContact OG-OG1 3.17Å; G175-T186 WeakPolarHBondContact O-CB 3.43Å; G175-T186 PolarHBondContact O-OG1 3.47Å; T186-V188 HydrophobicContact CG2-CG2 4.5Å
187	L	97.8	Very high	95	Very high	44 Å²	44	59.9 Å²	59.9	23%	0.23	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.9	174.4	-67.8	152.4	0	0	0	107.6	V145 S173 T174	V145-L187 HydrophobicContact CG1-CD2 3.54Å; S173-L187 WeakPolarHBondContact CA-O 3.43Å; T174-L187 HydrophobicContact CG2-CB 3.77Å; T174-L187 HydrophobicContact CG2-CD1 4.04Å; T174-L187 HydrophobicContact CG2-CG 4.48Å; T174-L187 PolarHBondContact N-O 3.35Å; T174-L187 PolarHBondContact OG1-N 3.27Å
188	V	98.1	Very high	94.7	Very high	8 Å²	8	57.9 Å²	57.9	5%	0.048	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.2	175.3	-174.6	0	0	0	0	108.8	C146 V158 W160 V171 T186	C146-V188 WeakPolarHBondContact CB-O 3.44Å; C146-V188 PolarHBondContact N-O 3.4Å; C146-V188 PolarHBondContact O-N 2.64Å; V158-V188 HydrophobicContact CB-CB 4.39Å; V158-V188 HydrophobicContact CB-CG2 3.77Å; V158-V188 HydrophobicContact CG1-CB 3.81Å; V158-V188 HydrophobicContact CG1-CG1 4.25Å; V158-V188 HydrophobicContact CG1-CG2 3.7Å; V158-V188 HydrophobicContact CG2-CG2 4.29Å; W160-V188 PolarHBondContact NE1-O 2.98Å; V171-V188 HydrophobicContact CG1-CG1 3.59Å; T186-V188 HydrophobicContact CG2-CG2 4.5Å
189	M	97	Very high	94.6	Very high	34 Å²	34	52.5 Å²	52.5	17%	0.167	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.7	-168.3	-60.9	164.2	-73.7	0	0	109.6	L143 L144 V145 V171 V172 T174	L143-M189 HydrophobicContact CD1-CB 3.81Å; L143-M189 HydrophobicContact CD2-CB 4.06Å; L143-M189 HydrophobicContact CD2-CG 4.16Å; L143-M189 HydrophobicContact CD2-SD 3.85Å; L143-M189 HydrophobicContact CG-CB 3.87Å; L143-M189 HydrophobicContact CG-CG 4.38Å; L144-M189 CarbonylContact O-C 3.49Å; L144-M189 WeakPolarHBondContact O-CA 3.5Å; V145-M189 HydrophobicContact CG1-CG 4.32Å; V145-M189 HydrophobicContact CG2-CG 4.24Å; V171-M189 CarbonylContact C-O 3.55Å; V171-M189 VanDerWaalsContact CA-O 3.26Å; V171-M189 WeakPolarHBondContact CA-O 3.37Å; V172-M189 HydrophobicContact CB-CE 4.19Å; V172-M189 HydrophobicContact CG1-CE 3.96Å; V172-M189 PolarHBondContact N-O 3.21Å; V172-M189 PolarHBondContact O-N 3.09Å; T174-M189 HydrophobicContact CG2-CE 4.18Å
190	L	97.1	Very high	94.5	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.4	175.9	173.7	67.3	0	0	0	109.4	L143 L144 W160 E167 V171 T192 Y200	L143-L190 WeakPolarHBondContact CA-O 3.43Å; L144-L190 HydrophobicContact CB-CB 4.48Å; L144-L190 PolarHBondContact N-O 3.06Å; L144-L190 PolarHBondContact O-N 2.95Å; W160-L190 HydrophobicContact CB-CD2 4.26Å; W160-L190 HydrophobicContact CD2-CB 3.95Å; W160-L190 HydrophobicContact CD2-CD2 4.15Å; W160-L190 HydrophobicContact CE3-CD2 4.2Å; W160-L190 HydrophobicContact CG-CB 3.95Å; W160-L190 HydrophobicContact CG-CD2 4.21Å; W160-L190 HydrophobicContact CZ2-CB 4.37Å; E167-L190 HydrophobicContact CB-CD1 4.08Å; E167-L190 HydrophobicContact CB-CD2 4.48Å; V171-L190 HydrophobicContact CG2-CD1 3.73Å; L190-T192 HydrophobicContact CD2-CG2 4.47Å; L190-T192 HydrophobicContact CG-CG2 4.43Å; L190-Y200 HydrophobicContact CD2-CD1 3.73Å; L190-Y200 HydrophobicContact CD2-CE1 3.98Å
191	E	95	Very high	94.6	Very high	113 Å²	113	46.9 Å²	46.9	53%	0.528	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.5	169.8	-171.8	177.3	177.7	0	0	109.7	H141 L143 G170	H141-E191 IonicContact ND1-OE1 3.77Å; L143-E191 HydrophobicContact CD1-CB 4.22Å; G170-E191 PolarHBondContact O-N 2.98Å
192	T	92.1	Very high	94.6	Very high	13 Å²	13	42.3 Å²	42.3	8%	0.08	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	171.1	-177.5	-174.3	0	0	0	0	111.8	N142 L144 L190 P194 Y200	N142-T192 PolarHBondContact N-O 2.85Å; N142-T192 PolarHBondContact O-N 2.96Å; N142-T192 VanDerWaalsContact O-O 3.04Å; L144-T192 HydrophobicContact CD1-CG2 3.97Å; L144-T192 HydrophobicContact CG-CG2 4.12Å; L190-T192 HydrophobicContact CD2-CG2 4.47Å; L190-T192 HydrophobicContact CG-CG2 4.43Å; T192-P194 HydrophobicContact CG2-CG 4.06Å; T192-Y200 HydrophobicContact CG2-CE1 3.83Å; T192-Y200 PolarHBondContact OG1-OH 3.08Å
193	V	91.4	Very high	94.7	Very high	46 Å²	46	37.3 Å²	37.3	28%	0.279	21%	0.205	S	C	.	.			trans	-119.4	89.9	172.1	-177.6	0	0	0	0	107.8	R195	V193-R195 PolarHBondContact O-N 3.37Å
194	P	89	Confident	94.7	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.026	20%	0.199	C	C	.	.			trans	-64.8	132.1	-172.3	-19.9	30.9	0	0	0	112.4	L138 Q139 N142 T192 Y200 W217 A219	L138-P194 HydrophobicContact CD2-CB 4.03Å; Q139-P194 PolarHBondContact N-O 3.38Å; N142-P194 HydrophobicContact CB-CG 4.33Å; T192-P194 HydrophobicContact CG2-CG 4.06Å; P194-Y200 HydrophobicContact CB-CE2 4.25Å; P194-W217 HydrophobicContact CB-CH2 3.86Å; P194-W217 HydrophobicContact CB-CZ3 3.92Å; P194-W217 HydrophobicContact CG-CH2 3.98Å; P194-W217 HydrophobicContact CG-CZ3 4.14Å; P194-A219 HydrophobicContact CB-CB 4.01Å
195	R	87.5	Confident	94.7	Very high	159 Å²	159	38.8 Å²	38.8	60%	0.6	21%	0.211	S	C	*	.			trans	-107.4	150.5	173.8	-58.7	179.6	178.5	-177.4	0.1	110.6	V193 G197 E198 A219	V193-R195 PolarHBondContact O-N 3.37Å; R195-G197 PolarHBondContact O-N 2.94Å; R195-E198 HydrophobicContact CB-CG 4.06Å; R195-E198 PolarHBondContact N-OE2 2.98Å; R195-E198 WeakPolarHBondContact O-CB 3.19Å; R195-E198 WeakPolarHBondContact O-CG 3.38Å; R195-E198 PolarHBondContact O-N 3.41Å; R195-E198 VanDerWaalsContact O-N 3.16Å; R195-A219 WeakPolarHBondContact O-CB 3.26Å
196	S	85.9	Confident	94.7	Very high	84 Å²	84	36.1 Å²	36.1	59%	0.587	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	131.2	-179.7	-171.8	0	0	0	0	111.1
197	G	85.8	Confident	94.7	Very high	63 Å²	63	38.6 Å²	38.6	65%	0.649	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.5	-8.7	179.5	0	0	0	0	0	114.8	R195 A219	R195-G197 PolarHBondContact O-N 2.94Å; G197-A219 PolarHBondContact N-O 2.8Å
198	E	92.1	Very high	94.7	Very high	21 Å²	21	37.2 Å²	37.2	10%	0.098	21%	0.209	C	C	.	.			trans	-72	144.9	172.7	-64.7	-176.2	148.2	0	0	111.9	R162 R195 Y200 A219	R162-E198 IonicContact CZ-OE1 3.93Å; R162-E198 IonicContact CZ-OE2 2.86Å; R162-E198 IonicContact NE-OE1 3.28Å; R162-E198 PolarHBondContact NE-OE1 3.38Å; R162-E198 IonicContact NE-OE2 3.96Å; R162-E198 VanDerWaalsContact NH2-CD 3.35Å; R162-E198 IonicContact NH2-OE1 3.87Å; R162-E198 PolarHBondContact NH2-OE1 2.97Å; R162-E198 IonicContact NH2-OE2 3.76Å; R162-E198 PolarHBondContact NH2-OE2 2.79Å; R195-E198 HydrophobicContact CB-CG 4.06Å; R195-E198 PolarHBondContact N-OE2 2.98Å; R195-E198 WeakPolarHBondContact O-CB 3.19Å; R195-E198 WeakPolarHBondContact O-CG 3.38Å; R195-E198 PolarHBondContact O-N 3.41Å; R195-E198 VanDerWaalsContact O-N 3.16Å; E198-Y200 HydrophobicContact CB-CD2 4.4Å; E198-Y200 HydrophobicContact CB-CE2 3.73Å; E198-Y200 PolarHBondContact OE2-OH 2.87Å; E198-A219 HydrophobicContact CB-CB 4.43Å; E198-A219 PolarHBondContact O-N 2.97Å
199	V	94.9	Very high	94.6	Very high	25 Å²	25	38 Å²	38	15%	0.152	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.4	175.5	-173.7	0	0	0	0	108.5	N163 E216 R218	N163-V199 PolarHBondContact N-O 2.86Å; N163-V199 PolarHBondContact OD1-N 3.2Å; N163-V199 PolarHBondContact OD1-O 2.93Å; V199-E216 HydrophobicContact CG1-CB 4.22Å; V199-E216 HydrophobicContact CG1-CG 4.17Å; V199-R218 HydrophobicContact CG1-CG 4.29Å; V199-R218 HydrophobicContact CG2-CG 4.18Å
200	Y	96.4	Very high	94.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.9	174.9	-65.5	-97.4	0	0	0	108.5	L144 F161 R162 L190 T192 P194 E198 E216 W217	L144-Y200 HydrophobicContact CD1-CD1 3.61Å; L144-Y200 HydrophobicContact CD1-CD2 3.85Å; L144-Y200 HydrophobicContact CD1-CE1 4.12Å; L144-Y200 HydrophobicContact CD1-CE2 4.36Å; L144-Y200 HydrophobicContact CD1-CG 3.44Å; L144-Y200 VanDerWaalsContact CD1-CG 3.44Å; F161-Y200 CarbonylContact O-C 3.47Å; F161-Y200 VanDerWaalsContact O-CA 3.29Å; F161-Y200 WeakPolarHBondContact O-CA 3.23Å; R162-Y200 HydrophobicContact CB-CD1 4.25Å; R162-Y200 HydrophobicContact CB-CE1 4.15Å; R162-Y200 HydrophobicContact CG-CD1 4.26Å; R162-Y200 HydrophobicContact CG-CE1 3.8Å; R162-Y200 PolarHBondContact NE-OH 2.91Å; L190-Y200 HydrophobicContact CD2-CD1 3.73Å; L190-Y200 HydrophobicContact CD2-CE1 3.98Å; T192-Y200 HydrophobicContact CG2-CE1 3.83Å; T192-Y200 PolarHBondContact OG1-OH 3.08Å; P194-Y200 HydrophobicContact CB-CE2 4.25Å; E198-Y200 HydrophobicContact CB-CD2 4.4Å; E198-Y200 HydrophobicContact CB-CE2 3.73Å; E198-Y200 PolarHBondContact OE2-OH 2.87Å; Y200-E216 CarbonylContact O-C 3.59Å; Y200-E216 WeakPolarHBondContact O-CA 3.49Å; Y200-W217 AromaticContact CD2-CE3 3.62Å; Y200-W217 HydrophobicContact CD2-CE3 3.62Å; Y200-W217 AromaticContact CD2-CZ3 3.68Å; Y200-W217 HydrophobicContact CD2-CZ3 3.68Å; Y200-W217 HydrophobicContact CE2-CE3 4.38Å; Y200-W217 AromaticContact CE2-CZ3 3.98Å; Y200-W217 HydrophobicContact CE2-CZ3 3.98Å; Y200-W217 HydrophobicContact CG-CE3 4.22Å; Y200-W217 PolarHBondContact N-O 2.85Å; Y200-W217 PolarHBondContact O-N 2.79Å
201	T	98.1	Very high	94.4	Very high	20 Å²	20	47.1 Å²	47.1	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.4	-177.4	-52.3	0	0	0	0	109.4	W160 F161 T214 V215 E216	W160-T201 CarbonylContact C-O 3.59Å; F161-T201 PolarHBondContact N-O 3.5Å; F161-T201 PolarHBondContact O-N 2.94Å; T201-T214 HydrophobicContact CG2-CG2 4.08Å; T201-V215 WeakPolarHBondContact CA-O 3.45Å; T201-E216 HydrophobicContact CG2-CG 4.42Å
202	C	98.2	Very high	94.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.3	165.3	-178.4	0	0	0	0	108.6	V130 C146 V158 W160 T214 V215	V130-C202 HydrophobicContact CG2-CB 3.63Å; C146-C202 HydrophobicContact CB-CB 3.64Å; C146-C202 WeakPolarHBondContact CB-SG 3.27Å; C146-C202 WeakPolarHBondContact SG-CB 3.31Å; C146-C202 CovalentContact SG-SG 2.02Å; C146-C202 PolarHBondContact SG-SG 2.84Å; V158-C202 VanDerWaalsContact CG1-SG 3.59Å; W160-C202 HydrophobicContact CE3-CB 4.38Å; W160-C202 HydrophobicContact CH2-CB 4.37Å; W160-C202 HydrophobicContact CZ3-CB 4.23Å; C202-T214 WeakPolarHBondContact O-CA 3.18Å; C202-V215 PolarHBondContact N-O 3.41Å; C202-V215 PolarHBondContact O-N 2.97Å
203	Q	98.5	Very high	94.7	Very high	34 Å²	34	46.6 Å²	46.6	16%	0.159	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.1	175.7	-173	178.9	48.8	0	0	109.6	V158 R159 F161 P212 L213 T214	V158-Q203 CarbonylContact C-O 3.58Å; V158-Q203 WeakPolarHBondContact CA-O 3.41Å; R159-Q203 PolarHBondContact N-O 3Å; R159-Q203 PolarHBondContact O-N 2.66Å; F161-Q203 HydrophobicContact CD2-CB 4.11Å; F161-Q203 HydrophobicContact CE2-CB 3.7Å; F161-Q203 HydrophobicContact CE2-CG 4.45Å; F161-Q203 VanDerWaalsContact CZ-OE1 3.32Å; Q203-P212 HydrophobicContact CG-CB 3.69Å; Q203-L213 CarbonylContact C-O 3.57Å; Q203-L213 VanDerWaalsContact CA-O 3.26Å; Q203-L213 WeakPolarHBondContact CA-O 3Å; Q203-T214 HydrophobicContact CB-CG2 4.16Å; Q203-T214 HydrophobicContact CG-CG2 3.92Å
204	V	98.6	Very high	95	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.1	-179.2	-179.4	0	0	0	0	109.7	P126 V128 V148 I156 E157 V158 P212 L213	P126-V204 HydrophobicContact CG-CG1 4.15Å; V128-V204 HydrophobicContact CG1-CG2 4.16Å; V128-V204 HydrophobicContact CG2-CB 4.28Å; V128-V204 HydrophobicContact CG2-CG2 3.76Å; V148-V204 HydrophobicContact CG1-CG1 4.18Å; V148-V204 HydrophobicContact CG1-CG2 4.44Å; V148-V204 HydrophobicContact CG2-CG2 3.82Å; I156-V204 HydrophobicContact CD1-CG1 3.72Å; I156-V204 HydrophobicContact CG1-CG1 3.93Å; E157-V204 WeakPolarHBondContact O-CA 3.22Å; V158-V204 HydrophobicContact CG1-CG2 4.26Å; V158-V204 HydrophobicContact CG2-CG1 4.42Å; V158-V204 HydrophobicContact CG2-CG2 4.23Å; V204-P212 WeakPolarHBondContact O-CA 3.4Å; V204-L213 HydrophobicContact CB-CB 4.34Å; V204-L213 PolarHBondContact N-O 3.15Å; V204-L213 PolarHBondContact O-N 3Å
205	E	98.4	Very high	95.4	Very high	71 Å²	71	50.3 Å²	50.3	33%	0.332	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.5	169.7	-59.8	-171.6	-176	0	0	109.3	I156 E157 R159 P212	I156-E205 WeakPolarHBondContact CG1-O 3.39Å; E157-E205 HydrophobicContact CB-CB 4.27Å; E157-E205 PolarHBondContact N-O 3.27Å; E157-E205 PolarHBondContact O-N 2.78Å; R159-E205 IonicContact CZ-OE1 3.4Å; R159-E205 IonicContact NH1-OE1 3.74Å; R159-E205 PolarHBondContact NH1-OE1 3.19Å; R159-E205 IonicContact NH2-OE1 3.77Å; R159-E205 PolarHBondContact NH2-OE1 3.22Å; E205-P212 HydrophobicContact CG-CB 4.06Å; E205-P212 HydrophobicContact CG-CG 4.1Å
206	H	98.5	Very high	95.9	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.042	30%	0.296	C	S	.	.			trans	-150.2	140.6	-177.5	-179.8	-105.2	0	0	0	109.8	V124 P126 F151 Y152 P153 S155 I156 S208 V209	V124-H206 PolarHBondContact O-CE1 2.74Å; V124-H206 VanDerWaalsContact O-CE1 3.24Å; P126-H206 HydrophobicContact CG-CB 4.24Å; F151-H206 AromaticContact CD2-CD2 3.9Å; F151-H206 AromaticContact CD2-NE2 3.75Å; Y152-H206 PolarHBondContact O-CE1 2.79Å; Y152-H206 PolarHBondContact O-NE2 2.96Å; P153-H206 PolarHBondContact O-NE2 3.49Å; S155-H206 PolarHBondContact O-CD2 3.24Å; S155-H206 VanDerWaalsContact O-CD2 3.27Å; I156-H206 HydrophobicContact CD1-CB 4.47Å; I156-H206 HydrophobicContact CG1-CB 4.25Å; H206-S208 PolarHBondContact CE1-OG 2.77Å; H206-S208 VanDerWaalsContact ND1-CB 3.27Å; H206-S208 WeakPolarHBondContact ND1-CB 3.27Å; H206-S208 PolarHBondContact ND1-N 2.67Å; H206-S208 PolarHBondContact ND1-OG 3.1Å; H206-S208 PolarHBondContact O-N 3.4Å; H206-V209 HydrophobicContact CB-CG2 4.26Å; H206-V209 WeakPolarHBondContact O-CG2 3.37Å; H206-V209 PolarHBondContact O-N 2.93Å
207	P	97.9	Very high	96.3	Very high	59 Å²	59	46.2 Å²	46.2	38%	0.383	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.3	-176.6	-28.8	37.4	0	0	0	116.6	R123 S155 V209	R123-P207 PolarHBondContact NE-O 2.8Å; S155-P207 VanDerWaalsContact O-CD 3.28Å; S155-P207 WeakPolarHBondContact O-CD 3.29Å; P207-V209 VanDerWaalsContact C-N 3.34Å
208	S	97.6	Very high	96.6	Very high	16 Å²	16	49.6 Å²	49.6	11%	0.112	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.7	173.9	76	0	0	0	0	113.4	V124 H125 H206	V124-S208 PolarHBondContact O-OG 2.92Å; H125-S208 WeakPolarHBondContact CA-OG 3.13Å; H125-S208 PolarHBondContact CE1-O 3.24Å; H125-S208 PolarHBondContact NE2-O 3.43Å; H125-S208 VanDerWaalsContact NE2-O 3.15Å; H206-S208 PolarHBondContact CE1-OG 2.77Å; H206-S208 VanDerWaalsContact ND1-CB 3.27Å; H206-S208 WeakPolarHBondContact ND1-CB 3.27Å; H206-S208 PolarHBondContact ND1-N 2.67Å; H206-S208 PolarHBondContact ND1-OG 3.1Å; H206-S208 PolarHBondContact O-N 3.4Å
209	V	96.6	Very high	96.2	Very high	24 Å²	24	48.7 Å²	48.7	15%	0.145	27%	0.266	C	S	.	.			trans	-112.9	143.6	-177.3	-68.4	0	0	0	0	110.4	H125 H206 P207 S211 L213	H125-V209 WeakPolarHBondContact CD2-CG1 3.36Å; H206-V209 HydrophobicContact CB-CG2 4.26Å; H206-V209 WeakPolarHBondContact O-CG2 3.37Å; H206-V209 PolarHBondContact O-N 2.93Å; P207-V209 VanDerWaalsContact C-N 3.34Å; V209-S211 WeakPolarHBondContact CG2-O 3.35Å; V209-L213 HydrophobicContact CG1-CD1 4Å; V209-L213 HydrophobicContact CG1-CD2 4.27Å; V209-L213 HydrophobicContact CG1-CG 4.07Å; V209-L213 HydrophobicContact CG2-CG 4.4Å
210	T	95.4	Very high	95.2	Very high	155 Å²	155	56.4 Å²	56.4	95%	0.951	29%	0.292	S	S	*	.	S	Bend	trans	-84	-19.1	179.9	49.1	0	0	0	0	113.3
211	S	95.6	Very high	93.4	Very high	74 Å²	74	58.5 Å²	58.5	52%	0.517	31%	0.307	S	S	.	.	S	Bend	trans	-138.1	153.4	176.9	56.3	0	0	0	0	110.2	V209 L213	V209-S211 WeakPolarHBondContact CG2-O 3.35Å; S211-L213 PolarHBondContact O-N 3.38Å
212	P	96.1	Very high	91.5	Very high	56 Å²	56	63.7 Å²	63.7	36%	0.364	33%	0.33	S	S	.	.			trans	-61.1	129.6	-179.1	-22.3	33	0	0	0	111.7	Q203 V204 E205	Q203-P212 HydrophobicContact CG-CB 3.69Å; V204-P212 WeakPolarHBondContact O-CA 3.4Å; E205-P212 HydrophobicContact CG-CB 4.06Å; E205-P212 HydrophobicContact CG-CG 4.1Å
213	L	97	Very high	89.5	Confident	58 Å²	58	66 Å²	66	30%	0.304	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.8	173.3	-64.9	173.2	0	0	0	109.1	P126 V128 Q203 V204 V209 S211	P126-L213 HydrophobicContact CG-CD1 3.72Å; V128-L213 HydrophobicContact CG2-CD1 4.27Å; Q203-L213 CarbonylContact C-O 3.57Å; Q203-L213 VanDerWaalsContact CA-O 3.26Å; Q203-L213 WeakPolarHBondContact CA-O 3Å; V204-L213 HydrophobicContact CB-CB 4.34Å; V204-L213 PolarHBondContact N-O 3.15Å; V204-L213 PolarHBondContact O-N 3Å; V209-L213 HydrophobicContact CG1-CD1 4Å; V209-L213 HydrophobicContact CG1-CD2 4.27Å; V209-L213 HydrophobicContact CG1-CG 4.07Å; V209-L213 HydrophobicContact CG2-CG 4.4Å; S211-L213 PolarHBondContact O-N 3.38Å
214	T	97.3	Very high	87.4	Confident	85 Å²	85	67.1 Å²	67.1	52%	0.521	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.8	177.4	51.1	0	0	0	0	110.2	T201 C202 Q203	T201-T214 HydrophobicContact CG2-CG2 4.08Å; C202-T214 WeakPolarHBondContact O-CA 3.18Å; Q203-T214 HydrophobicContact CB-CG2 4.16Å; Q203-T214 HydrophobicContact CG-CG2 3.92Å
215	V	97.7	Very high	85.4	Confident	44 Å²	44	73.2 Å²	73.2	27%	0.267	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.3	174.8	179.9	0	0	0	0	108.6	V128 V130 T201 C202	V128-V215 HydrophobicContact CB-CG2 3.78Å; V128-V215 HydrophobicContact CG1-CB 4.08Å; V128-V215 HydrophobicContact CG1-CG2 3.58Å; V130-V215 HydrophobicContact CB-CG1 4.05Å; V130-V215 HydrophobicContact CG2-CB 3.88Å; V130-V215 HydrophobicContact CG2-CG1 3.66Å; T201-V215 WeakPolarHBondContact CA-O 3.45Å; C202-V215 PolarHBondContact N-O 3.41Å; C202-V215 PolarHBondContact O-N 2.97Å
216	E	96.6	Very high	83.6	Confident	107 Å²	107	73.7 Å²	73.7	50%	0.5	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.7	-179.7	-63	-171.9	169.5	0	0	112.1	V199 Y200 T201 R218	V199-E216 HydrophobicContact CG1-CB 4.22Å; V199-E216 HydrophobicContact CG1-CG 4.17Å; Y200-E216 CarbonylContact O-C 3.59Å; Y200-E216 WeakPolarHBondContact O-CA 3.49Å; T201-E216 HydrophobicContact CG2-CG 4.42Å; E216-R218 IonicContact OE2-CZ 3.93Å; E216-R218 IonicContact OE2-NE 3.85Å; E216-R218 PolarHBondContact OE2-NE 3.44Å; E216-R218 IonicContact OE2-NH2 2.92Å; E216-R218 PolarHBondContact OE2-NH2 3.12Å
217	W	94.6	Very high	82	Confident	49 Å²	49	80.2 Å²	80.2	19%	0.186	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.5	164.3	179.8	89.8	0	0	0	109.3	V130 L144 P194 Y200 A219	V130-W217 HydrophobicContact CB-CB 4.36Å; V130-W217 HydrophobicContact CG1-CB 3.58Å; V130-W217 HydrophobicContact CG1-CG 4.23Å; L144-W217 HydrophobicContact CD1-CD2 4.4Å; L144-W217 HydrophobicContact CD1-CE3 3.68Å; L144-W217 HydrophobicContact CD1-CZ3 3.89Å; L144-W217 HydrophobicContact CD2-CD2 3.79Å; L144-W217 HydrophobicContact CD2-CE3 3.75Å; L144-W217 HydrophobicContact CD2-CG 4.47Å; L144-W217 HydrophobicContact CD2-CH2 3.97Å; L144-W217 HydrophobicContact CD2-CZ2 4.02Å; L144-W217 HydrophobicContact CD2-CZ3 3.84Å; L144-W217 HydrophobicContact CG-CE3 4.4Å; L144-W217 HydrophobicContact CG-CZ3 4.47Å; P194-W217 HydrophobicContact CB-CH2 3.86Å; P194-W217 HydrophobicContact CB-CZ3 3.92Å; P194-W217 HydrophobicContact CG-CH2 3.98Å; P194-W217 HydrophobicContact CG-CZ3 4.14Å; Y200-W217 AromaticContact CD2-CE3 3.62Å; Y200-W217 HydrophobicContact CD2-CE3 3.62Å; Y200-W217 AromaticContact CD2-CZ3 3.68Å; Y200-W217 HydrophobicContact CD2-CZ3 3.68Å; Y200-W217 HydrophobicContact CE2-CE3 4.38Å; Y200-W217 AromaticContact CE2-CZ3 3.98Å; Y200-W217 HydrophobicContact CE2-CZ3 3.98Å; Y200-W217 HydrophobicContact CG-CE3 4.22Å; Y200-W217 PolarHBondContact N-O 2.85Å; Y200-W217 PolarHBondContact O-N 2.79Å; W217-A219 HydrophobicContact CH2-CB 3.97Å; W217-A219 HydrophobicContact CZ3-CB 3.81Å
218	R	91.7	Very high	80.3	Confident	134 Å²	134	84.2 Å²	84.2	51%	0.506	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.5	-176.9	-62.8	-173.3	177.7	-118.6	-3	110.2	V199 E216 R220	V199-R218 HydrophobicContact CG1-CG 4.29Å; V199-R218 HydrophobicContact CG2-CG 4.18Å; E216-R218 IonicContact OE2-CZ 3.93Å; E216-R218 IonicContact OE2-NE 3.85Å; E216-R218 PolarHBondContact OE2-NE 3.44Å; E216-R218 IonicContact OE2-NH2 2.92Å; E216-R218 PolarHBondContact OE2-NH2 3.12Å; R218-R220 PolarHBondContact O-N 3Å
219	A	84.6	Confident	78.8	Confident	3 Å²	3	89.5 Å²	89.5	3%	0.025	47%	0.47	C	S	.	.			trans	-71.3	92.4	172.6	0	0	0	0	0	109.8	L138 P194 R195 G197 E198 W217	L138-A219 HydrophobicContact CD2-CB 3.9Å; P194-A219 HydrophobicContact CB-CB 4.01Å; R195-A219 WeakPolarHBondContact O-CB 3.26Å; G197-A219 PolarHBondContact N-O 2.8Å; E198-A219 HydrophobicContact CB-CB 4.43Å; E198-A219 PolarHBondContact O-N 2.97Å; W217-A219 HydrophobicContact CH2-CB 3.97Å; W217-A219 HydrophobicContact CZ3-CB 3.81Å
220	R	73.4	Confident	77.7	Confident	187 Å²	187	92.6 Å²	92.6	71%	0.706	49%	0.493	S	S	*	.			trans	-94.8	134.6	173	-72.5	-177.1	178.2	174.3	0.6	109.9	R218	R218-R220 PolarHBondContact O-N 3Å
221	S	59.1	Low	76.8	Confident	43 Å²	43	87.2 Å²	87.2	30%	0.301	47%	0.469	S	S	.	.			trans	-67.3	131.7	169.8	174.6	0	0	0	0	109.7	S223 A224	S221-S223 PolarHBondContact O-N 3.12Å; S221-S223 VanDerWaalsContact O-N 3.11Å; S221-S223 WeakPolarHBondContact OG-CB 3.4Å; S221-S223 PolarHBondContact OG-N 3.44Å; S221-A224 WeakPolarHBondContact O-CB 3.49Å; S221-A224 PolarHBondContact O-N 3.45Å
222	E	58.6	Low	76.2	Confident	129 Å²	129	88 Å²	88	60%	0.603	47%	0.47	S	S	*	.	H	α-helix	trans	-53.3	-28.9	170	-73.5	-168.2	155.3	0	0	112	A224 Q225 S226	E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 2.96Å; E222-Q225 PolarHBondContact O-N 2.81Å; E222-S226 WeakPolarHBondContact O-CB 3.26Å; E222-S226 PolarHBondContact O-N 2.63Å
223	S	55.3	Low	75.4	Confident	50 Å²	50	87 Å²	87	35%	0.35	47%	0.47	S	S	.	.	H	α-helix	trans	-60.5	-35.9	175.6	-176.8	0	0	0	0	112.4	S221 K227	S221-S223 PolarHBondContact O-N 3.12Å; S221-S223 VanDerWaalsContact O-N 3.11Å; S221-S223 WeakPolarHBondContact OG-CB 3.4Å; S221-S223 PolarHBondContact OG-N 3.44Å; S223-K227 WeakPolarHBondContact O-CB 3.23Å; S223-K227 WeakPolarHBondContact O-CD 3.36Å; S223-K227 WeakPolarHBondContact O-CG 3.45Å; S223-K227 PolarHBondContact O-N 2.83Å; S223-K227 VanDerWaalsContact OG-CE 3.29Å; S223-K227 WeakPolarHBondContact OG-CE 3.22Å; S223-K227 PolarHBondContact OG-NZ 2.04Å
224	A	54.7	Low	74.9	Confident	56 Å²	56	86.2 Å²	86.2	46%	0.463	48%	0.476	S	S	.	.	H	α-helix	trans	-71.3	-37.6	179.3	0	0	0	0	0	111.9	S221 E222 M228	S221-A224 WeakPolarHBondContact O-CB 3.49Å; S221-A224 PolarHBondContact O-N 3.45Å; E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 2.96Å; A224-M228 PolarHBondContact O-N 2.92Å; A224-M228 VanDerWaalsContact O-N 3.1Å
225	Q	57.2	Low	74.4	Confident	129 Å²	129	88.9 Å²	88.9	60%	0.603	48%	0.481	S	S	*	.	H	α-helix	trans	-74.5	-39.8	179.5	-163.6	171.1	-7.9	0	0	111.9	E222 M228 L229	E222-Q225 PolarHBondContact O-N 2.81Å; Q225-M228 PolarHBondContact O-N 2.92Å; Q225-L229 HydrophobicContact CG-CD1 4.48Å; Q225-L229 WeakPolarHBondContact O-CD1 3.36Å; Q225-L229 PolarHBondContact O-N 3.32Å; Q225-L229 VanDerWaalsContact O-N 3.08Å
226	S	59.3	Low	74	Confident	81 Å²	81	90.5 Å²	90.5	57%	0.566	49%	0.49	S	S	*	.	H	α-helix	trans	-65	-43.1	173.5	172.4	0	0	0	0	112.3	E222 L229 S230	E222-S226 WeakPolarHBondContact O-CB 3.26Å; E222-S226 PolarHBondContact O-N 2.63Å; S226-L229 PolarHBondContact O-N 3.41Å; S226-S230 PolarHBondContact O-N 3Å
227	K	65.6	Low	73.8	Confident	146 Å²	146	90.2 Å²	90.2	64%	0.635	49%	0.492	S	S	*	.	H	α-helix	trans	-66.1	-37.1	176.8	-75.4	171.6	177.4	166.3	0	112.5	S223 G231	S223-K227 WeakPolarHBondContact O-CB 3.23Å; S223-K227 WeakPolarHBondContact O-CD 3.36Å; S223-K227 WeakPolarHBondContact O-CG 3.45Å; S223-K227 PolarHBondContact O-N 2.83Å; S223-K227 VanDerWaalsContact OG-CE 3.29Å; S223-K227 WeakPolarHBondContact OG-CE 3.22Å; S223-K227 PolarHBondContact OG-NZ 2.04Å; K227-G231 PolarHBondContact O-N 2.63Å
228	M	61.3	Low	73.6	Confident	142 Å²	142	89.4 Å²	89.4	70%	0.7	50%	0.499	S	S	*	.	H	α-helix	trans	-65.2	-44.5	172.7	-82.1	-164.1	83.5	0	0	112.3	A224 Q225 S230 G231 V232	A224-M228 PolarHBondContact O-N 2.92Å; A224-M228 VanDerWaalsContact O-N 3.1Å; Q225-M228 PolarHBondContact O-N 2.92Å; M228-S230 PolarHBondContact O-N 2.81Å; M228-G231 PolarHBondContact O-N 3.45Å; M228-V232 WeakPolarHBondContact O-CG2 3.39Å; M228-V232 PolarHBondContact O-N 3.42Å
229	L	66.1	Low	73.7	Confident	127 Å²	127	87.6 Å²	87.6	67%	0.665	50%	0.498	S	S	*	.	H	α-helix	trans	-63.7	-40.8	178	-103	94.9	0	0	0	112.5	Q225 S226 G231 V232 G233	Q225-L229 HydrophobicContact CG-CD1 4.48Å; Q225-L229 WeakPolarHBondContact O-CD1 3.36Å; Q225-L229 PolarHBondContact O-N 3.32Å; Q225-L229 VanDerWaalsContact O-N 3.08Å; S226-L229 PolarHBondContact O-N 3.41Å; L229-G231 VanDerWaalsContact C-N 3.34Å; L229-V232 PolarHBondContact O-N 2.95Å; L229-G233 PolarHBondContact O-N 3.48Å
230	S	74.4	Confident	74.1	Confident	89 Å²	89	93 Å²	93	62%	0.622	53%	0.526	S	S	*	.	H	α-helix	trans	-65.9	-37.1	175.9	-170.9	0	0	0	0	112.2	S226 M228 G234	S226-S230 PolarHBondContact O-N 3Å; M228-S230 PolarHBondContact O-N 2.81Å; S230-G234 PolarHBondContact O-N 3.4Å
231	G	75.9	Confident	75	Confident	43 Å²	43	91.3 Å²	91.3	44%	0.443	53%	0.525	S	S	.	.	H	α-helix	trans	-67	-43.4	176.6	0	0	0	0	0	112.8	K227 M228 L229 G234 F235	K227-G231 PolarHBondContact O-N 2.63Å; M228-G231 PolarHBondContact O-N 3.45Å; L229-G231 VanDerWaalsContact C-N 3.34Å; G231-G234 PolarHBondContact O-N 3.39Å; G231-F235 WeakPolarHBondContact O-CB 3.49Å; G231-F235 PolarHBondContact O-N 3.03Å
232	V	82.9	Confident	76.6	Confident	90 Å²	90	94.5 Å²	94.5	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-42.8	175.7	173.5	0	0	0	0	110.8	M228 L229 G234 F235 V236	M228-V232 WeakPolarHBondContact O-CG2 3.39Å; M228-V232 PolarHBondContact O-N 3.42Å; L229-V232 PolarHBondContact O-N 2.95Å; V232-G234 PolarHBondContact O-N 2.93Å; V232-F235 PolarHBondContact O-N 3.2Å; V232-V236 WeakPolarHBondContact O-CG2 3.4Å; V232-V236 PolarHBondContact O-N 3.05Å; V232-V236 VanDerWaalsContact O-N 3.08Å
233	G	79.8	Confident	78.2	Confident	34 Å²	34	90.4 Å²	90.4	35%	0.351	53%	0.53	S	S	.	.	H	α-helix	trans	-59.5	-44.7	175.3	0	0	0	0	0	113	L229 L237	L229-G233 PolarHBondContact O-N 3.48Å; G233-L237 PolarHBondContact O-N 3.2Å; G233-L237 VanDerWaalsContact O-N 3.14Å
234	G	85.6	Confident	79.9	Confident	43 Å²	43	90.5 Å²	90.5	44%	0.443	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-38.8	176.8	0	0	0	0	0	113.5	S230 G231 V232 L237 G238	S230-G234 PolarHBondContact O-N 3.4Å; G231-G234 PolarHBondContact O-N 3.39Å; V232-G234 PolarHBondContact O-N 2.93Å; G234-L237 PolarHBondContact O-N 2.83Å; G234-G238 PolarHBondContact O-N 3.35Å
235	F	87.4	Confident	81.6	Confident	140 Å²	140	89.8 Å²	89.8	61%	0.614	53%	0.531	S	S	*	.	H	α-helix	trans	-67.1	-41.8	178.8	-170.7	-102.2	0	0	0	112.5	G231 V232 G238 L239	G231-F235 WeakPolarHBondContact O-CB 3.49Å; G231-F235 PolarHBondContact O-N 3.03Å; V232-F235 PolarHBondContact O-N 3.2Å; F235-G238 PolarHBondContact O-N 3.4Å; F235-L239 HydrophobicContact CD1-CD1 3.88Å; F235-L239 HydrophobicContact CD1-CG 4.38Å; F235-L239 HydrophobicContact CE1-CD1 3.49Å; F235-L239 VanDerWaalsContact CE1-CD1 3.49Å; F235-L239 HydrophobicContact CE1-CG 4.09Å; F235-L239 HydrophobicContact CZ-CD1 4.17Å; F235-L239 HydrophobicContact CZ-CG 4.4Å; F235-L239 PolarHBondContact O-N 2.96Å
236	V	90.8	Very high	83.2	Confident	78 Å²	78	88 Å²	88	47%	0.473	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-43.8	176.4	173.6	0	0	0	0	111.1	V232 G238 L239 L240	V232-V236 WeakPolarHBondContact O-CG2 3.4Å; V232-V236 PolarHBondContact O-N 3.05Å; V232-V236 VanDerWaalsContact O-N 3.08Å; V236-G238 VanDerWaalsContact C-N 3.33Å; V236-G238 PolarHBondContact O-N 3.02Å; V236-L239 PolarHBondContact O-N 2.89Å; V236-L240 HydrophobicContact CG1-CD1 4.39Å; V236-L240 WeakPolarHBondContact O-CG 3.47Å; V236-L240 PolarHBondContact O-N 3.49Å; V236-L240 VanDerWaalsContact O-N 3.1Å
237	L	91.6	Very high	84.5	Confident	101 Å²	101	90.6 Å²	90.6	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-59.7	-44.3	173.7	-82.1	159.6	0	0	0	111.4	G233 G234 L239 L240 F241	G233-L237 PolarHBondContact O-N 3.2Å; G233-L237 VanDerWaalsContact O-N 3.14Å; G234-L237 PolarHBondContact O-N 2.83Å; L237-L239 PolarHBondContact O-N 3.37Å; L237-L240 PolarHBondContact O-N 3.2Å; L237-F241 HydrophobicContact CD2-CE2 4.42Å; L237-F241 WeakPolarHBondContact O-CD2 3.33Å; L237-F241 PolarHBondContact O-N 2.65Å; L237-F241 VanDerWaalsContact O-N 3.12Å
238	G	90.6	Very high	85.5	Confident	32 Å²	32	89.1 Å²	89.1	33%	0.33	53%	0.525	S	S	.	.	H	α-helix	trans	-59.6	-43.8	176.9	0	0	0	0	0	113.5	G234 F235 V236 L240 F241 L242	G234-G238 PolarHBondContact O-N 3.35Å; F235-G238 PolarHBondContact O-N 3.4Å; V236-G238 VanDerWaalsContact C-N 3.33Å; V236-G238 PolarHBondContact O-N 3.02Å; G238-L240 PolarHBondContact O-N 3.36Å; G238-F241 PolarHBondContact O-N 3.27Å; G238-L242 WeakPolarHBondContact O-CB 3.46Å; G238-L242 PolarHBondContact O-N 3.43Å
239	L	94.2	Very high	86.7	Confident	96 Å²	96	88.8 Å²	88.8	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-37	176.7	-74.7	176.5	0	0	0	112.8	F235 V236 L237 L242 G243	F235-L239 HydrophobicContact CD1-CD1 3.88Å; F235-L239 HydrophobicContact CD1-CG 4.38Å; F235-L239 HydrophobicContact CE1-CD1 3.49Å; F235-L239 VanDerWaalsContact CE1-CD1 3.49Å; F235-L239 HydrophobicContact CE1-CG 4.09Å; F235-L239 HydrophobicContact CZ-CD1 4.17Å; F235-L239 HydrophobicContact CZ-CG 4.4Å; F235-L239 PolarHBondContact O-N 2.96Å; V236-L239 PolarHBondContact O-N 2.89Å; L237-L239 PolarHBondContact O-N 3.37Å; L239-L242 PolarHBondContact O-N 3.37Å; L239-G243 PolarHBondContact O-N 3.03Å
240	L	92.9	Very high	87.4	Confident	116 Å²	116	88.2 Å²	88.2	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-63.4	-45.2	175.7	-74.4	168.9	0	0	0	111.6	V236 L237 G238 G243 A244	V236-L240 HydrophobicContact CG1-CD1 4.39Å; V236-L240 WeakPolarHBondContact O-CG 3.47Å; V236-L240 PolarHBondContact O-N 3.49Å; V236-L240 VanDerWaalsContact O-N 3.1Å; L237-L240 PolarHBondContact O-N 3.2Å; G238-L240 PolarHBondContact O-N 3.36Å; L240-G243 PolarHBondContact O-N 3.28Å; L240-A244 WeakPolarHBondContact O-CB 3.27Å; L240-A244 PolarHBondContact O-N 3.38Å
241	F	91.7	Very high	87.6	Confident	153 Å²	153	92.5 Å²	92.5	67%	0.671	51%	0.512	S	S	*	.	H	α-helix	trans	-65.9	-39.8	176.6	-76.2	-66.9	0	0	0	112.5	L237 G238 A244 G245	L237-F241 HydrophobicContact CD2-CE2 4.42Å; L237-F241 WeakPolarHBondContact O-CD2 3.33Å; L237-F241 PolarHBondContact O-N 2.65Å; L237-F241 VanDerWaalsContact O-N 3.12Å; G238-F241 PolarHBondContact O-N 3.27Å; F241-A244 PolarHBondContact O-N 3.11Å; F241-G245 PolarHBondContact O-N 3.41Å
242	L	92.6	Very high	87.4	Confident	110 Å²	110	96 Å²	96	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-61.9	-45.6	174	-98.2	154.3	0	0	0	112.2	G238 L239 G245 L246	G238-L242 WeakPolarHBondContact O-CB 3.46Å; G238-L242 PolarHBondContact O-N 3.43Å; L239-L242 PolarHBondContact O-N 3.37Å; L242-G245 PolarHBondContact O-N 3.39Å; L242-L246 HydrophobicContact CD2-CD1 4.4Å; L242-L246 PolarHBondContact O-N 3.49Å
243	G	91.9	Very high	86.7	Confident	43 Å²	43	96.6 Å²	96.6	44%	0.443	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-45.3	177.2	0	0	0	0	0	112.5	L239 L240 L246 F247	L239-G243 PolarHBondContact O-N 3.03Å; L240-G243 PolarHBondContact O-N 3.28Å; G243-L246 PolarHBondContact O-N 3Å; G243-F247 WeakPolarHBondContact O-CB 3.34Å; G243-F247 PolarHBondContact O-N 3.47Å
244	A	92.2	Very high	85.6	Confident	52 Å²	52	103.9 Å²	103.9	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-63.1	-42.8	175.6	0	0	0	0	0	112	L240 F241 F247 I248	L240-A244 WeakPolarHBondContact O-CB 3.27Å; L240-A244 PolarHBondContact O-N 3.38Å; F241-A244 PolarHBondContact O-N 3.11Å; A244-F247 PolarHBondContact O-N 3.16Å; A244-I248 WeakPolarHBondContact O-CG1 3.5Å; A244-I248 PolarHBondContact O-N 3.13Å
245	G	89.7	Confident	84.2	Confident	40 Å²	40	104.7 Å²	104.7	41%	0.412	55%	0.547	S	S	.	.	H	α-helix	trans	-61.4	-46.9	176.3	0	0	0	0	0	112.7	F241 L242 F247 I248 Y249	F241-G245 PolarHBondContact O-N 3.41Å; L242-G245 PolarHBondContact O-N 3.39Å; G245-F247 VanDerWaalsContact C-N 3.34Å; G245-F247 PolarHBondContact O-N 3.36Å; G245-I248 PolarHBondContact O-N 3Å; G245-Y249 WeakPolarHBondContact O-CB 3.44Å; G245-Y249 PolarHBondContact O-N 3.27Å
246	L	90.2	Very high	82.4	Confident	93 Å²	93	105.9 Å²	105.9	49%	0.487	55%	0.554	S	S	.	*	H	α-helix	trans	-60.2	-43.6	174.7	-107.7	85.4	0	0	0	111.5	L242 G243 I248 Y249 F250	L242-L246 HydrophobicContact CD2-CD1 4.4Å; L242-L246 PolarHBondContact O-N 3.49Å; G243-L246 PolarHBondContact O-N 3Å; L246-I248 PolarHBondContact O-N 3.23Å; L246-Y249 PolarHBondContact O-N 3.18Å; L246-F250 HydrophobicContact CB-CD2 4.44Å; L246-F250 HydrophobicContact CB-CE2 4.5Å; L246-F250 HydrophobicContact CD2-CE2 3.85Å; L246-F250 HydrophobicContact CG-CE2 4.13Å; L246-F250 WeakPolarHBondContact O-CD2 3.47Å; L246-F250 PolarHBondContact O-N 2.69Å
247	F	87.2	Confident	80.2	Confident	134 Å²	134	107.4 Å²	107.4	59%	0.588	57%	0.569	S	S	*	*	H	α-helix	trans	-62.1	-43.2	-180	-178	-99.6	0	0	0	112.3	G243 A244 G245 R251	G243-F247 WeakPolarHBondContact O-CB 3.34Å; G243-F247 PolarHBondContact O-N 3.47Å; A244-F247 PolarHBondContact O-N 3.16Å; G245-F247 VanDerWaalsContact C-N 3.34Å; G245-F247 PolarHBondContact O-N 3.36Å; F247-R251 HydrophobicContact CE1-CG 4.35Å; F247-R251 HydrophobicContact CZ-CG 4.41Å; F247-R251 WeakPolarHBondContact O-CB 3.28Å; F247-R251 PolarHBondContact O-N 2.66Å
248	I	85.7	Confident	77.9	Confident	116 Å²	116	105.8 Å²	105.8	60%	0.595	58%	0.576	S	S	*	*	H	α-helix	trans	-64.9	-44.9	175.3	-66.8	169.8	0	0	0	110.5	A244 G245 L246 F250 R251 N252	A244-I248 WeakPolarHBondContact O-CG1 3.5Å; A244-I248 PolarHBondContact O-N 3.13Å; G245-I248 PolarHBondContact O-N 3Å; L246-I248 PolarHBondContact O-N 3.23Å; I248-F250 PolarHBondContact O-N 3.37Å; I248-R251 PolarHBondContact O-N 2.93Å; I248-N252 PolarHBondContact O-N 3.25Å
249	Y	87.3	Confident	75.8	Confident	135 Å²	135	112.6 Å²	112.6	53%	0.529	60%	0.604	S	S	.	*	H	α-helix	trans	-58.1	-48.2	178.3	178.2	-98	0	0	0	112.3	G245 L246 N252 Q253	G245-Y249 WeakPolarHBondContact O-CB 3.44Å; G245-Y249 PolarHBondContact O-N 3.27Å; L246-Y249 PolarHBondContact O-N 3.18Å; Y249-N252 PolarHBondContact O-N 3.28Å; Y249-Q253 HydrophobicContact CE1-CG 4.3Å; Y249-Q253 PolarHBondContact O-N 3.06Å; Y249-Q253 PolarHBondContact OH-NE2 3.13Å
250	F	80.7	Confident	73.1	Confident	114 Å²	114	117.2 Å²	117.2	50%	0.5	62%	0.623	S	S	.	*	H	α-helix	trans	-68.6	-33.3	178.1	-78.6	-62.7	0	0	0	113.4	L246 I248 N252 K254	L246-F250 HydrophobicContact CB-CD2 4.44Å; L246-F250 HydrophobicContact CB-CE2 4.5Å; L246-F250 HydrophobicContact CD2-CE2 3.85Å; L246-F250 HydrophobicContact CG-CE2 4.13Å; L246-F250 WeakPolarHBondContact O-CD2 3.47Å; L246-F250 PolarHBondContact O-N 2.69Å; I248-F250 PolarHBondContact O-N 3.37Å; F250-N252 VanDerWaalsContact C-N 3.3Å; F250-K254 PolarHBondContact O-N 2.98Å
251	R	78.8	Confident	70.9	Confident	180 Å²	180	117.3 Å²	117.3	68%	0.679	63%	0.631	S	S	*	*	H	α-helix	trans	-63.2	-37.7	170.4	-91.9	-174.6	66.4	158.3	-1.4	111.9	F247 I248 K254	F247-R251 HydrophobicContact CE1-CG 4.35Å; F247-R251 HydrophobicContact CZ-CG 4.41Å; F247-R251 WeakPolarHBondContact O-CB 3.28Å; F247-R251 PolarHBondContact O-N 2.66Å; I248-R251 PolarHBondContact O-N 2.93Å; R251-K254 PolarHBondContact O-N 3.38Å
252	N	71.8	Confident	68.8	Low	117 Å²	117	122 Å²	122	63%	0.626	64%	0.644	S	S	*	*	H	α-helix	trans	-73.7	-35.7	-178.8	-146.4	18.3	0	0	0	112.1	I248 Y249 F250 K254 G255	I248-N252 PolarHBondContact O-N 3.25Å; Y249-N252 PolarHBondContact O-N 3.28Å; F250-N252 VanDerWaalsContact C-N 3.3Å; N252-K254 VanDerWaalsContact C-N 3.34Å; N252-K254 PolarHBondContact O-N 3.36Å; N252-G255 PolarHBondContact O-N 3.21Å
253	Q	67.2	Low	66.2	Low	101 Å²	101	120.5 Å²	120.5	47%	0.472	66%	0.655	S	S	.	*	H	α-helix	trans	-64.7	-34.8	172.5	-80.7	-166.6	-22.7	0	0	113.2	Y249 G255 H256	Y249-Q253 HydrophobicContact CE1-CG 4.3Å; Y249-Q253 PolarHBondContact O-N 3.06Å; Y249-Q253 PolarHBondContact OH-NE2 3.13Å; Q253-G255 PolarHBondContact O-N 3.46Å; Q253-H256 PolarHBondContact O-N 3.45Å
254	K	58.3	Low	63.8	Low	188 Å²	188	127.4 Å²	127.4	82%	0.817	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-12.1	174.8	-83.1	-178	176.5	179	0	114.2	F250 R251 N252	F250-K254 PolarHBondContact O-N 2.98Å; R251-K254 PolarHBondContact O-N 3.38Å; N252-K254 VanDerWaalsContact C-N 3.34Å; N252-K254 PolarHBondContact O-N 3.36Å
255	G	55	Low	61.3	Low	59 Å²	59	132.5 Å²	132.5	61%	0.608	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-6.6	176.9	0	0	0	0	0	115.5	N252 Q253	N252-G255 PolarHBondContact O-N 3.21Å; Q253-G255 PolarHBondContact O-N 3.46Å
256	H	49.2	Very low	59	Low	165 Å²	165	139.2 Å²	139.2	76%	0.764	73%	0.733	S	S	*	*			trans	-105.7	5.2	-175.4	-92.2	67.3	0	0	0	115.3	Q253 G258	Q253-H256 PolarHBondContact O-N 3.45Å; H256-G258 VanDerWaalsContact C-N 3.27Å; H256-G258 PolarHBondContact O-N 2.99Å; H256-G258 VanDerWaalsContact O-N 3.15Å
257	S	45.7	Very low	57.5	Low	111 Å²	111	141.5 Å²	141.5	78%	0.776	75%	0.746	S	S	*	*			trans	-88.1	66.3	168.8	-52.9	0	0	0	0	110.3
258	G	42.3	Very low	55.9	Low	67 Å²	67	141.9 Å²	141.9	69%	0.691	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.4	137.7	177.6	0	0	0	0	0	112.9	H256	H256-G258 VanDerWaalsContact C-N 3.27Å; H256-G258 PolarHBondContact O-N 2.99Å; H256-G258 VanDerWaalsContact O-N 3.15Å
259	L	47.2	Very low	54.2	Low	175 Å²	175	143.3 Å²	143.3	92%	0.916	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-48.2	140.7	170.3	-79.1	96.6	0	0	0	113.1
260	Q	38.1	Very low	52.3	Low	192 Å²	192	143.8 Å²	143.8	90%	0.897	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-102.3	124.3	163.8	-146.3	-174.8	8.9	0	0	109.5
261	P	46.3	Very low	50.5	Low	119 Å²	119	145.7 Å²	145.7	77%	0.773	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-87.5	148.1	174.6	18.3	-5.4	0	0	0	112.5
262	R	47.1	Very low	48.6	Very low	251 Å²	251	143.4 Å²	143.4	95%	0.947	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-61.7	141.2	169.5	-71.7	-179.9	-178.8	177.2	-0.1	111.3
263	G	37.5	Very low	47	Very low	79 Å²	79	145.3 Å²	145.3	81%	0.814	81%	0.814	S	S	*	*			trans	-150.9	125.2	166.3	0	0	0	0	0	111.7
264	F	43	Very low	45.4	Very low	187 Å²	187	148.7 Å²	148.7	82%	0.82	84%	0.84	S	S	*	*			trans	-81.1	158.1	-175.4	-103.3	-104.5	0	0	0	113.9
265	L	38.4	Very low	44.4	Very low	159 Å²	159	145.4 Å²	145.4	83%	0.832	84%	0.842	S	S	*	*			trans	53.3	143.8	150.2	-66.4	157	0	0	0	117.9
266	S	42.7	Very low	43.4	Very low	181 Å²	181	153.3 Å²	153.3	100%	1.266	86%	0.863	S	S	*	*			cis	-153.6	0	18.5	177.2	0	0	0	0	109

Retrieved 266 of 266 residues in 493.4 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).