SG196_MACFA Loading...

Protein O-mannose kinase

Protein O-mannose kinase that specifically mediates phosphorylation at the 6-position of an O-mannose of the trisaccharide (N-acetylgalactosamine (GalNAc)-beta-1,3-N-acetylglucosamine (GlcNAc)-beta-1,4-mannose) to generate phosphorylated O-mannosyl trisaccharide (N-acetylgalactosamine-beta-1,3-N-acetylglucosamine-beta-1,4-(phosphate-6-)mannose). Phosphorylated O-mannosyl trisaccharide is a carbohydrate structure present in alpha-dystroglycan (DAG1), which is required for binding laminin G-like domain-containing extracellular proteins with high affinity. Only shows kinase activity when the GalNAc-beta-3-GlcNAc-beta-terminus is linked to the 4-position of O-mannose, suggesting that this disaccharide serves as the substrate recognition motif (By similarity).

AlphaFold DB , UniProt , Accession Q95JJ0, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene POMK, Length 350 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	44.5	Very low	42.7	Very low	243 Å²	243	188 Å²	188	100%	1.197	90%	0.898	S	S	*	*				0	106.1	0	-111.3	175.8	157.1	0	0	106.5
2	E	41.2	Very low	43	Very low	203 Å²	203	186.6 Å²	186.6	95%	0.949	90%	0.898	S	S	*	*			trans	-167.6	109.8	153.1	-117.8	172.4	160.9	0	0	108.2
3	K	37.8	Very low	43.5	Very low	206 Å²	206	178.8 Å²	178.8	90%	0.896	88%	0.883	S	S	*	*			trans	-100.9	127.7	165.2	-82.1	-178.4	174.5	179.1	0	106.1
4	Q	43.8	Very low	44.1	Very low	190 Å²	190	174.5 Å²	174.5	89%	0.888	88%	0.875	S	S	*	*			trans	-173.5	160.2	151.7	-105.7	-174.1	21	0	0	109.4
5	P	48.4	Very low	44.9	Very low	109 Å²	109	178.8 Å²	178.8	71%	0.708	88%	0.877	S	S	*	*			cis	-127	161.3	-43.9	24.1	-4.5	0	0	0	112.8	N7	P5-N7 PolarHBondContact O-N 3.36Å
6	Q	41.3	Very low	46.1	Very low	198 Å²	198	178.9 Å²	178.9	93%	0.925	88%	0.875	S	S	*	*			trans	-53.2	119.6	167.1	-69.5	170	-35.1	0	0	111.2
7	N	42.9	Very low	47.5	Very low	157 Å²	157	174.2 Å²	174.2	84%	0.84	86%	0.859	S	S	*	*			trans	-101.7	121.1	166.5	-135.9	-9.7	0	0	0	110.1	P5 R9	P5-N7 PolarHBondContact O-N 3.36Å; N7-R9 PolarHBondContact O-N 3.19Å
8	K	40.1	Very low	49.1	Very low	196 Å²	196	168.8 Å²	168.8	85%	0.852	84%	0.839	S	S	*	*			trans	-55.7	112.5	-174.3	-68	167.8	173.6	175.9	0	111.3	R10	K8-R10 PolarHBondContact O-N 3.31Å
9	R	44.6	Very low	50.6	Low	247 Å²	247	165.9 Å²	165.9	93%	0.932	83%	0.833	S	S	*	*			trans	-79.5	108.2	157.9	-80	-175.1	176.9	-178	-0.7	108	N7 G11	N7-R9 PolarHBondContact O-N 3.19Å; R9-G11 PolarHBondContact O-N 3.28Å
10	R	43.1	Very low	52	Low	244 Å²	244	160.5 Å²	160.5	92%	0.921	82%	0.816	S	S	*	*			trans	-48.3	116.5	166.7	-75.3	173	171.5	169.6	-3.8	108.7	K8 L12	K8-R10 PolarHBondContact O-N 3.31Å; R10-L12 PolarHBondContact O-N 3.14Å
11	G	42.1	Very low	53.4	Low	75 Å²	75	155.8 Å²	155.8	77%	0.773	80%	0.795	S	S	*	*			trans	-61.7	118.6	162.6	0	0	0	0	0	108	R9 A13	R9-G11 PolarHBondContact O-N 3.28Å; G11-A13 PolarHBondContact O-N 3.23Å
12	L	45.8	Very low	55.3	Low	171 Å²	171	145.7 Å²	145.7	90%	0.895	75%	0.752	S	S	*	*			trans	-62.5	114.8	161.4	-84.1	146.3	0	0	0	106.2	R10	R10-L12 PolarHBondContact O-N 3.14Å
13	A	49.2	Very low	57.4	Low	85 Å²	85	141.1 Å²	141.1	70%	0.702	73%	0.734	S	S	*	*			trans	-54.9	142.1	169.3	0	0	0	0	0	109.1	G11 R15	G11-A13 PolarHBondContact O-N 3.23Å; A13-R15 PolarHBondContact O-N 3.25Å; A13-R15 VanDerWaalsContact O-N 3.14Å
14	P	52.5	Low	59.8	Low	119 Å²	119	136.5 Å²	136.5	77%	0.773	72%	0.718	S	S	*	*			trans	-55.9	123.3	179.1	23.4	-32.5	0	0	0	108.9	E16	P14-E16 PolarHBondContact O-N 3.12Å
15	R	55.9	Low	62	Low	239 Å²	239	132.4 Å²	132.4	90%	0.902	70%	0.702	S	S	*	*			trans	-66.8	100.8	177.4	-140.5	176.4	-178.2	171.8	-1.3	106.5	A13 V17	A13-R15 PolarHBondContact O-N 3.25Å; A13-R15 VanDerWaalsContact O-N 3.14Å; R15-V17 PolarHBondContact O-N 2.97Å; R15-V17 VanDerWaalsContact O-N 3.12Å
16	E	64.1	Low	64	Low	180 Å²	180	132.1 Å²	132.1	84%	0.841	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-57.9	117.6	173.6	-69.9	-175.6	172.7	0	0	108.2	P14 P18	P14-E16 PolarHBondContact O-N 3.12Å; E16-P18 WeakPolarHBondContact O-CD 3.39Å
17	V	70.2	Confident	66.3	Low	100 Å²	100	127.7 Å²	127.7	61%	0.606	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-70.3	121.9	176.6	176.4	0	0	0	0	106.7	R15 V21	R15-V17 PolarHBondContact O-N 2.97Å; R15-V17 VanDerWaalsContact O-N 3.12Å; V17-V21 HydrophobicContact CG1-CB 3.59Å; V17-V21 HydrophobicContact CG1-CG1 3.72Å; V17-V21 HydrophobicContact CG1-CG2 4.33Å
18	P	75.9	Confident	68.6	Low	76 Å²	76	122.7 Å²	122.7	49%	0.494	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-56	140.1	179.6	-23.7	32.3	0	0	0	110.5	E16 A20 V21	E16-P18 WeakPolarHBondContact O-CD 3.39Å; P18-A20 PolarHBondContact O-N 3.05Å; P18-V21 HydrophobicContact CB-CG2 4.32Å; P18-V21 HydrophobicContact CG-CG2 4.31Å; P18-V21 WeakPolarHBondContact O-CB 3.46Å; P18-V21 PolarHBondContact O-N 2.85Å
19	P	77.2	Confident	71.2	Confident	114 Å²	114	118.9 Å²	118.9	74%	0.74	64%	0.643	S	S	*	*	H	α-helix	trans	-51	-32.4	179.9	-27.1	33.2	0	0	0	113.6	V21 G22 L23	P19-V21 VanDerWaalsContact C-N 3.33Å; P19-V21 PolarHBondContact O-N 2.99Å; P19-G22 PolarHBondContact O-N 3.41Å; P19-L23 PolarHBondContact O-N 3.22Å
20	A	80.2	Confident	73.4	Confident	58 Å²	58	113.1 Å²	113.1	48%	0.479	63%	0.628	S	S	.	*	H	α-helix	trans	-60.2	-36.6	175.9	0	0	0	0	0	113.5	P18 L23 L24	P18-A20 PolarHBondContact O-N 3.05Å; A20-L23 PolarHBondContact O-N 2.97Å; A20-L24 VanDerWaalsContact O-CG 3.31Å; A20-L24 WeakPolarHBondContact O-CG 3.34Å; A20-L24 PolarHBondContact O-N 3.39Å
21	V	81.3	Confident	75.7	Confident	62 Å²	62	105.8 Å²	105.8	38%	0.376	61%	0.607	S	S	.	*	H	α-helix	trans	-69.9	-37.7	177.6	179.5	0	0	0	0	110.5	V17 P18 P19 L24 L25	V17-V21 HydrophobicContact CG1-CB 3.59Å; V17-V21 HydrophobicContact CG1-CG1 3.72Å; V17-V21 HydrophobicContact CG1-CG2 4.33Å; P18-V21 HydrophobicContact CB-CG2 4.32Å; P18-V21 HydrophobicContact CG-CG2 4.31Å; P18-V21 WeakPolarHBondContact O-CB 3.46Å; P18-V21 PolarHBondContact O-N 2.85Å; P19-V21 VanDerWaalsContact C-N 3.33Å; P19-V21 PolarHBondContact O-N 2.99Å; V21-L24 PolarHBondContact O-N 3.28Å; V21-L25 HydrophobicContact CG1-CD1 4.25Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 2.98Å
22	G	82.9	Confident	78	Confident	30 Å²	30	105.9 Å²	105.9	31%	0.309	59%	0.593	S	S	.	*	H	α-helix	trans	-61.1	-44.3	172.6	0	0	0	0	0	112.3	P19 L25 I26	P19-G22 PolarHBondContact O-N 3.41Å; G22-L25 PolarHBondContact O-N 3.46Å; G22-I26 WeakPolarHBondContact O-CG1 3.45Å; G22-I26 PolarHBondContact O-N 3.04Å
23	L	86.4	Confident	80.1	Confident	108 Å²	108	103 Å²	103	57%	0.565	58%	0.578	S	S	*	*	H	α-helix	trans	-62.6	-43.7	175.6	-76.8	163.1	0	0	0	112.6	P19 A20 L25 I26 M27	P19-L23 PolarHBondContact O-N 3.22Å; A20-L23 PolarHBondContact O-N 2.97Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.42Å; L23-I26 PolarHBondContact O-N 3.4Å; L23-M27 WeakPolarHBondContact O-CG 3.42Å; L23-M27 PolarHBondContact O-N 2.94Å
24	L	88.5	Confident	81.9	Confident	108 Å²	108	103.6 Å²	103.6	57%	0.565	57%	0.569	S	S	*	*	H	α-helix	trans	-61.7	-40.6	176.5	-73.3	166.3	0	0	0	112	A20 V21 M27 A28	A20-L24 VanDerWaalsContact O-CG 3.31Å; A20-L24 WeakPolarHBondContact O-CG 3.34Å; A20-L24 PolarHBondContact O-N 3.39Å; V21-L24 PolarHBondContact O-N 3.28Å; L24-M27 HydrophobicContact CD2-CE 3.72Å; L24-M27 HydrophobicContact CG-CE 4.36Å; L24-M27 PolarHBondContact O-N 3.45Å; L24-A28 WeakPolarHBondContact O-CB 3.32Å; L24-A28 PolarHBondContact O-N 2.9Å
25	L	89.3	Confident	83.3	Confident	105 Å²	105	103.9 Å²	103.9	55%	0.55	56%	0.555	S	S	.	*	H	α-helix	trans	-64.3	-41.4	175.5	-78.4	164.7	0	0	0	112.2	V21 G22 L23 A28 L29	V21-L25 HydrophobicContact CG1-CD1 4.25Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 2.98Å; G22-L25 PolarHBondContact O-N 3.46Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.42Å; L25-A28 PolarHBondContact O-N 3.27Å; L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.3Å; L25-L29 PolarHBondContact O-N 3.01Å
26	I	89.7	Confident	84.6	Confident	102 Å²	102	97.8 Å²	97.8	52%	0.523	54%	0.54	S	S	.	.	H	α-helix	trans	-63.5	-45.9	176.2	-67.7	165.7	0	0	0	110.5	G22 L23 A28 L29 M30	G22-I26 WeakPolarHBondContact O-CG1 3.45Å; G22-I26 PolarHBondContact O-N 3.04Å; L23-I26 PolarHBondContact O-N 3.4Å; I26-A28 VanDerWaalsContact C-N 3.33Å; I26-A28 PolarHBondContact O-N 2.94Å; I26-L29 PolarHBondContact O-N 3.35Å; I26-M30 HydrophobicContact CG2-CG 4.34Å; I26-M30 VanDerWaalsContact O-CG 3.3Å; I26-M30 WeakPolarHBondContact O-CG 3.23Å; I26-M30 PolarHBondContact O-N 3.4Å
27	M	91	Very high	85.4	Confident	106 Å²	106	91.7 Å²	91.7	52%	0.522	52%	0.516	S	S	.	.	H	α-helix	trans	-62.2	-40.7	177.4	-71.6	-172	-63.4	0	0	112.1	L23 L24 M30 N31	L23-M27 WeakPolarHBondContact O-CG 3.42Å; L23-M27 PolarHBondContact O-N 2.94Å; L24-M27 HydrophobicContact CD2-CE 3.72Å; L24-M27 HydrophobicContact CG-CE 4.36Å; L24-M27 PolarHBondContact O-N 3.45Å; M27-M30 PolarHBondContact O-N 3.31Å; M27-N31 WeakPolarHBondContact O-CB 3.42Å; M27-N31 PolarHBondContact O-N 3Å; M27-N31 PolarHBondContact O-ND2 3.45Å
28	A	90.9	Very high	85.7	Confident	51 Å²	51	90.4 Å²	90.4	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-47.3	174.8	0	0	0	0	0	111.2	L24 L25 I26 M30 N31 T32	L24-A28 WeakPolarHBondContact O-CB 3.32Å; L24-A28 PolarHBondContact O-N 2.9Å; L25-A28 PolarHBondContact O-N 3.27Å; I26-A28 VanDerWaalsContact C-N 3.33Å; I26-A28 PolarHBondContact O-N 2.94Å; A28-M30 PolarHBondContact O-N 2.91Å; A28-N31 PolarHBondContact O-N 3.27Å; A28-T32 PolarHBondContact O-N 3.46Å; A28-T32 PolarHBondContact O-OG1 2.88Å
29	L	93.5	Very high	85.5	Confident	117 Å²	117	90.9 Å²	90.9	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-60.8	-43.7	177.5	-75	165.8	0	0	0	112.4	L25 I26 N31 T32 L33	L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.3Å; L25-L29 PolarHBondContact O-N 3.01Å; I26-L29 PolarHBondContact O-N 3.35Å; L29-N31 VanDerWaalsContact C-N 3.35Å; L29-N31 PolarHBondContact O-N 3.5Å; L29-T32 PolarHBondContact O-N 3.31Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 PolarHBondContact O-N 2.84Å
30	M	92.5	Very high	84.9	Confident	125 Å²	125	92.2 Å²	92.2	62%	0.616	50%	0.501	S	S	*	.	H	α-helix	trans	-62.5	-41.7	177.2	-71.4	-63.5	-67	0	0	111.8	I26 M27 A28 L33 L34	I26-M30 HydrophobicContact CG2-CG 4.34Å; I26-M30 VanDerWaalsContact O-CG 3.3Å; I26-M30 WeakPolarHBondContact O-CG 3.23Å; I26-M30 PolarHBondContact O-N 3.4Å; M27-M30 PolarHBondContact O-N 3.31Å; A28-M30 PolarHBondContact O-N 2.91Å; M30-L33 PolarHBondContact O-N 2.81Å; M30-L34 WeakPolarHBondContact O-CB 3.34Å; M30-L34 PolarHBondContact O-N 3.39Å
31	N	89.8	Confident	84	Confident	90 Å²	90	97.3 Å²	97.3	48%	0.481	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-44.5	174.6	-83.3	-41.1	0	0	0	111.6	M27 A28 L29 L33 L34 Y35	M27-N31 WeakPolarHBondContact O-CB 3.42Å; M27-N31 PolarHBondContact O-N 3Å; M27-N31 PolarHBondContact O-ND2 3.45Å; A28-N31 PolarHBondContact O-N 3.27Å; L29-N31 VanDerWaalsContact C-N 3.35Å; L29-N31 PolarHBondContact O-N 3.5Å; N31-L33 VanDerWaalsContact C-N 3.28Å; N31-L33 PolarHBondContact O-N 3.28Å; N31-L34 WeakPolarHBondContact O-CB 3.47Å; N31-L34 PolarHBondContact O-N 3.39Å; N31-Y35 WeakPolarHBondContact O-CB 3.49Å; N31-Y35 VanDerWaalsContact O-CD2 3.23Å; N31-Y35 WeakPolarHBondContact O-CD2 3.37Å; N31-Y35 PolarHBondContact O-N 2.87Å
32	T	90.6	Very high	82.8	Confident	78 Å²	78	102.1 Å²	102.1	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-40.1	176.2	-43.4	0	0	0	0	111.3	A28 L29 Y35 L36	A28-T32 PolarHBondContact O-N 3.46Å; A28-T32 PolarHBondContact O-OG1 2.88Å; L29-T32 PolarHBondContact O-N 3.31Å; T32-Y35 PolarHBondContact O-N 3.35Å; T32-L36 HydrophobicContact CG2-CD1 4.36Å; T32-L36 WeakPolarHBondContact O-CB 3.27Å; T32-L36 VanDerWaalsContact O-CG 3.27Å; T32-L36 WeakPolarHBondContact O-CG 3.47Å; T32-L36 PolarHBondContact O-N 3.31Å
33	L	90	Very high	81.2	Confident	111 Å²	111	106.1 Å²	106.1	58%	0.581	54%	0.541	S	S	*	.	H	α-helix	trans	-68.8	-40.3	178.6	-148.1	136.6	0	0	0	111.3	L29 M30 N31 L36 C37	L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 PolarHBondContact O-N 2.84Å; M30-L33 PolarHBondContact O-N 2.81Å; N31-L33 VanDerWaalsContact C-N 3.28Å; N31-L33 PolarHBondContact O-N 3.28Å; L33-L36 PolarHBondContact O-N 2.87Å; L33-C37 WeakPolarHBondContact O-CB 3.48Å; L33-C37 PolarHBondContact O-N 2.87Å; L33-C37 PolarHBondContact O-SG 3.47Å
34	L	88	Confident	79.1	Confident	96 Å²	96	103.7 Å²	103.7	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-60.3	-47.8	171	-173.3	75	0	0	0	110.7	M30 N31 L36 C37 L38	M30-L34 WeakPolarHBondContact O-CB 3.34Å; M30-L34 PolarHBondContact O-N 3.39Å; N31-L34 WeakPolarHBondContact O-CB 3.47Å; N31-L34 PolarHBondContact O-N 3.39Å; L34-L36 PolarHBondContact O-N 3.4Å; L34-C37 WeakPolarHBondContact O-CB 3.49Å; L34-C37 PolarHBondContact O-N 3.39Å; L34-L38 HydrophobicContact CG-CD1 4.15Å; L34-L38 HydrophobicContact CG-CG 4.4Å; L34-L38 WeakPolarHBondContact O-CB 3.04Å; L34-L38 VanDerWaalsContact O-CG 3.24Å; L34-L38 WeakPolarHBondContact O-CG 3.19Å; L34-L38 PolarHBondContact O-N 3.49Å
35	Y	82.5	Confident	76.8	Confident	125 Å²	125	104.1 Å²	104.1	49%	0.49	55%	0.546	S	S	.	.	H	α-helix	trans	-58.6	-46.1	176.4	-92.2	-72.6	0	0	0	111.9	N31 T32 C37 L38 D39	N31-Y35 WeakPolarHBondContact O-CB 3.49Å; N31-Y35 VanDerWaalsContact O-CD2 3.23Å; N31-Y35 WeakPolarHBondContact O-CD2 3.37Å; N31-Y35 PolarHBondContact O-N 2.87Å; T32-Y35 PolarHBondContact O-N 3.35Å; Y35-C37 VanDerWaalsContact C-N 3.34Å; Y35-C37 PolarHBondContact O-N 3.22Å; Y35-L38 PolarHBondContact O-N 2.89Å; Y35-D39 VanDerWaalsContact O-CB 3.27Å; Y35-D39 WeakPolarHBondContact O-CB 3.35Å; Y35-D39 PolarHBondContact O-N 2.79Å
36	L	81.9	Confident	74.6	Confident	111 Å²	111	109.5 Å²	109.5	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-65.3	-37.3	177.2	-71	170.3	0	0	0	112	T32 L33 L34 H40	T32-L36 HydrophobicContact CG2-CD1 4.36Å; T32-L36 WeakPolarHBondContact O-CB 3.27Å; T32-L36 VanDerWaalsContact O-CG 3.27Å; T32-L36 WeakPolarHBondContact O-CG 3.47Å; T32-L36 PolarHBondContact O-N 3.31Å; L33-L36 PolarHBondContact O-N 2.87Å; L34-L36 PolarHBondContact O-N 3.4Å; L36-H40 WeakPolarHBondContact O-CB 3.24Å; L36-H40 PolarHBondContact O-N 3.26Å
37	C	80.7	Confident	71.9	Confident	52 Å²	52	112.6 Å²	112.6	35%	0.351	57%	0.571	S	S	.	*	H	α-helix	trans	-63.7	-48.5	171.8	-74.7	0	0	0	0	110.8	L33 L34 Y35 D39 H40 F41	L33-C37 WeakPolarHBondContact O-CB 3.48Å; L33-C37 PolarHBondContact O-N 2.87Å; L33-C37 PolarHBondContact O-SG 3.47Å; L34-C37 WeakPolarHBondContact O-CB 3.49Å; L34-C37 PolarHBondContact O-N 3.39Å; Y35-C37 VanDerWaalsContact C-N 3.34Å; Y35-C37 PolarHBondContact O-N 3.22Å; C37-D39 PolarHBondContact O-N 3.46Å; C37-H40 PolarHBondContact O-N 2.82Å; C37-F41 HydrophobicContact CB-CD2 4.23Å; C37-F41 HydrophobicContact CB-CE2 4.37Å; C37-F41 WeakPolarHBondContact O-CB 3.42Å; C37-F41 WeakPolarHBondContact O-CD2 3.46Å; C37-F41 PolarHBondContact O-N 3.3Å
38	L	76.8	Confident	69.4	Low	74 Å²	74	113.5 Å²	113.5	39%	0.387	59%	0.588	S	S	.	*	H	α-helix	trans	-60.1	-46.2	177.6	-66.4	174.5	0	0	0	110.6	L34 Y35 H40 F41 F42	L34-L38 HydrophobicContact CG-CD1 4.15Å; L34-L38 HydrophobicContact CG-CG 4.4Å; L34-L38 WeakPolarHBondContact O-CB 3.04Å; L34-L38 VanDerWaalsContact O-CG 3.24Å; L34-L38 WeakPolarHBondContact O-CG 3.19Å; L34-L38 PolarHBondContact O-N 3.49Å; Y35-L38 PolarHBondContact O-N 2.89Å; L38-H40 PolarHBondContact O-N 2.77Å; L38-F41 PolarHBondContact O-N 3.14Å; L38-F42 HydrophobicContact CB-CD2 4.09Å; L38-F42 HydrophobicContact CD2-CD2 3.85Å; L38-F42 HydrophobicContact CD2-CE2 3.44Å; L38-F42 VanDerWaalsContact CD2-CE2 3.44Å; L38-F42 WeakPolarHBondContact O-CA 3.34Å; L38-F42 WeakPolarHBondContact O-CB 3.31Å; L38-F42 WeakPolarHBondContact O-CD2 3.19Å; L38-F42 PolarHBondContact O-N 3.22Å
39	D	71	Confident	66.9	Low	86 Å²	86	117 Å²	117	46%	0.46	60%	0.598	S	S	.	*	H	α-helix	trans	-63.3	-40.5	178.5	-158.5	50.1	0	0	0	111.6	Y35 C37 I43 A44	Y35-D39 VanDerWaalsContact O-CB 3.27Å; Y35-D39 WeakPolarHBondContact O-CB 3.35Å; Y35-D39 PolarHBondContact O-N 2.79Å; C37-D39 PolarHBondContact O-N 3.46Å; D39-I43 CarbonylContact O-C 3.3Å; D39-I43 VanDerWaalsContact O-C 3.3Å; D39-I43 VanDerWaalsContact O-CA 3.25Å; D39-I43 WeakPolarHBondContact O-CA 3.27Å; D39-I43 WeakPolarHBondContact O-CB 3.35Å; D39-I43 PolarHBondContact O-N 3.36Å; D39-I43 VanDerWaalsContact OD1-CD1 3.22Å; D39-I43 WeakPolarHBondContact OD1-CD1 3.44Å; D39-A44 PolarHBondContact O-N 3.05Å
40	H	64.9	Low	64.6	Low	142 Å²	142	117.6 Å²	117.6	66%	0.657	61%	0.607	S	S	*	*	H	α-helix	trans	-72.2	-32.9	176.9	-156.7	63.1	0	0	0	113.4	L36 C37 L38 A44	L36-H40 WeakPolarHBondContact O-CB 3.24Å; L36-H40 PolarHBondContact O-N 3.26Å; C37-H40 PolarHBondContact O-N 2.82Å; L38-H40 PolarHBondContact O-N 2.77Å; H40-A44 VanDerWaalsContact O-CB 3.28Å; H40-A44 WeakPolarHBondContact O-CB 3.46Å
41	F	61.5	Low	62.6	Low	164 Å²	164	113.6 Å²	113.6	72%	0.719	59%	0.588	S	S	*	*	H	α-helix	trans	-85.6	-29.1	178.4	-76.3	-66.4	0	0	0	113.2	C37 L38	C37-F41 HydrophobicContact CB-CD2 4.23Å; C37-F41 HydrophobicContact CB-CE2 4.37Å; C37-F41 WeakPolarHBondContact O-CB 3.42Å; C37-F41 WeakPolarHBondContact O-CD2 3.46Å; C37-F41 PolarHBondContact O-N 3.3Å; L38-F41 PolarHBondContact O-N 3.14Å
42	F	57.4	Low	60.8	Low	164 Å²	164	114.7 Å²	114.7	72%	0.719	60%	0.6	S	S	*	*	H	α-helix	trans	-107.4	-27.2	-175	-66.9	-77.4	0	0	0	114.1	L38	L38-F42 HydrophobicContact CB-CD2 4.09Å; L38-F42 HydrophobicContact CD2-CD2 3.85Å; L38-F42 HydrophobicContact CD2-CE2 3.44Å; L38-F42 VanDerWaalsContact CD2-CE2 3.44Å; L38-F42 WeakPolarHBondContact O-CA 3.34Å; L38-F42 WeakPolarHBondContact O-CB 3.31Å; L38-F42 WeakPolarHBondContact O-CD2 3.19Å; L38-F42 PolarHBondContact O-N 3.22Å
43	I	49.2	Very low	59.5	Low	114 Å²	114	118.1 Å²	118.1	59%	0.585	60%	0.604	S	S	*	*	S	Bend	trans	-125.9	12.5	-172.2	-54.5	164.5	0	0	0	112.4	D39 P45	D39-I43 CarbonylContact O-C 3.3Å; D39-I43 VanDerWaalsContact O-C 3.3Å; D39-I43 VanDerWaalsContact O-CA 3.25Å; D39-I43 WeakPolarHBondContact O-CA 3.27Å; D39-I43 WeakPolarHBondContact O-CB 3.35Å; D39-I43 PolarHBondContact O-N 3.36Å; D39-I43 VanDerWaalsContact OD1-CD1 3.22Å; D39-I43 WeakPolarHBondContact OD1-CD1 3.44Å; I43-P45 WeakPolarHBondContact O-CD 3.19Å; I43-P45 VanDerWaalsContact O-N 3.11Å
44	A	42.2	Very low	59.1	Low	57 Å²	57	116.9 Å²	116.9	47%	0.471	60%	0.595	S	S	.	*			trans	-55	123.1	170.5	0	0	0	0	0	110.5	D39 H40 R46	D39-A44 PolarHBondContact O-N 3.05Å; H40-A44 VanDerWaalsContact O-CB 3.28Å; H40-A44 WeakPolarHBondContact O-CB 3.46Å; A44-R46 PolarHBondContact O-N 3.45Å
45	P	40.1	Very low	59.3	Low	116 Å²	116	113.9 Å²	113.9	75%	0.753	58%	0.582	S	S	*	*			trans	-59.9	132	177	-18.7	29.3	0	0	0	108.9	I43 Q47	I43-P45 WeakPolarHBondContact O-CD 3.19Å; I43-P45 VanDerWaalsContact O-N 3.11Å; P45-Q47 VanDerWaalsContact C-N 3.26Å; P45-Q47 PolarHBondContact O-N 3.01Å
46	R	42.6	Very low	59.9	Low	219 Å²	219	111.8 Å²	111.8	83%	0.826	58%	0.583	S	S	*	*			trans	-60.8	86.6	177.8	-152.9	179.5	-170.4	-152.9	1.6	109.1	A44 S48	A44-R46 PolarHBondContact O-N 3.45Å; R46-S48 PolarHBondContact O-N 3.14Å
47	Q	33.5	Very low	60.5	Low	166 Å²	166	114 Å²	114	78%	0.776	59%	0.585	S	S	*	*			trans	-62.1	124.7	171.4	-79.4	-177.1	-13.4	0	0	108	P45 I49	P45-Q47 VanDerWaalsContact C-N 3.26Å; P45-Q47 PolarHBondContact O-N 3.01Å; Q47-I49 PolarHBondContact O-N 3.13Å
48	S	37.4	Very low	61.3	Low	125 Å²	125	112.3 Å²	112.3	87%	0.874	58%	0.576	S	S	*	*			trans	-71.7	65.6	175.3	59.3	0	0	0	0	110.6	R46	R46-S48 PolarHBondContact O-N 3.14Å
49	I	37.8	Very low	62.3	Low	124 Å²	124	112.2 Å²	112.2	64%	0.636	57%	0.574	S	S	*	*			trans	-71.4	135.4	153.2	-59.3	173.9	0	0	0	104.5	Q47 D51	Q47-I49 PolarHBondContact O-N 3.13Å; I49-D51 WeakPolarHBondContact O-CA 3.22Å; I49-D51 PolarHBondContact O-N 3.43Å
50	V	45.9	Very low	63.5	Low	131 Å²	131	108.2 Å²	108.2	79%	0.794	55%	0.552	S	S	*	*			trans	-39.4	109.5	166.7	174.6	0	0	0	0	106.9	P52	V50-P52 VanDerWaalsContact O-CD 3.22Å; V50-P52 WeakPolarHBondContact O-CD 3.25Å
51	D	51.5	Low	64.9	Low	41 Å²	41	104.8 Å²	104.8	22%	0.219	53%	0.534	C	S	.	.			trans	-55.9	114.6	-166.5	172.7	-2.8	0	0	0	107	I49 R53 H54	I49-D51 WeakPolarHBondContact O-CA 3.22Å; I49-D51 PolarHBondContact O-N 3.43Å; D51-R53 PolarHBondContact O-N 2.81Å; D51-R53 WeakPolarHBondContact OD1-CB 3.28Å; D51-R53 VanDerWaalsContact OD1-CG 3.23Å; D51-R53 WeakPolarHBondContact OD1-CG 3.38Å; D51-R53 IonicContact OD1-CZ 3.29Å; D51-R53 PolarHBondContact OD1-N 3.23Å; D51-R53 IonicContact OD1-NE 2.98Å; D51-R53 PolarHBondContact OD1-NE 3.18Å; D51-R53 IonicContact OD1-NH2 2.77Å; D51-R53 IonicContact OD2-CZ 3.5Å; D51-R53 VanDerWaalsContact OD2-CZ 3.29Å; D51-R53 IonicContact OD2-NE 3.86Å; D51-R53 PolarHBondContact OD2-NE 2.94Å; D51-R53 IonicContact OD2-NH2 3.82Å; D51-R53 PolarHBondContact OD2-NH2 3.29Å; D51-H54 WeakPolarHBondContact CB-ND1 3.46Å; D51-H54 PolarHBondContact O-N 2.87Å; D51-H54 PolarHBondContact O-ND1 2.75Å; D51-H54 IonicContact OD2-CE1 3.37Å; D51-H54 PolarHBondContact OD2-CE1 3.3Å; D51-H54 IonicContact OD2-ND1 2.82Å
52	P	52.2	Low	66.5	Low	112 Å²	112	97.2 Å²	97.2	73%	0.727	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-5.3	-173.7	21.1	-31	0	0	0	112.5	V50	V50-P52 VanDerWaalsContact O-CD 3.22Å; V50-P52 WeakPolarHBondContact O-CD 3.25Å
53	R	63.2	Low	67.9	Low	151 Å²	151	92.2 Å²	92.2	57%	0.57	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.5	171.5	-61.6	178.1	-70.5	178.9	9.4	114.4	D51 R61	D51-R53 PolarHBondContact O-N 2.81Å; D51-R53 WeakPolarHBondContact OD1-CB 3.28Å; D51-R53 VanDerWaalsContact OD1-CG 3.23Å; D51-R53 WeakPolarHBondContact OD1-CG 3.38Å; D51-R53 IonicContact OD1-CZ 3.29Å; D51-R53 PolarHBondContact OD1-N 3.23Å; D51-R53 IonicContact OD1-NE 2.98Å; D51-R53 PolarHBondContact OD1-NE 3.18Å; D51-R53 IonicContact OD1-NH2 2.77Å; D51-R53 IonicContact OD2-CZ 3.5Å; D51-R53 VanDerWaalsContact OD2-CZ 3.29Å; D51-R53 IonicContact OD2-NE 3.86Å; D51-R53 PolarHBondContact OD2-NE 2.94Å; D51-R53 IonicContact OD2-NH2 3.82Å; D51-R53 PolarHBondContact OD2-NH2 3.29Å; R53-R61 VanDerWaalsContact CA-NH2 3.27Å; R53-R61 PolarHBondContact O-NH2 3.21Å
54	H	81.1	Confident	69.7	Low	85 Å²	85	95.8 Å²	95.8	39%	0.394	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-93.1	131.6	-173.1	-66.6	80.7	0	0	0	113.5	D51	D51-H54 WeakPolarHBondContact CB-ND1 3.46Å; D51-H54 PolarHBondContact O-N 2.87Å; D51-H54 PolarHBondContact O-ND1 2.75Å; D51-H54 IonicContact OD2-CE1 3.37Å; D51-H54 PolarHBondContact OD2-CE1 3.3Å; D51-H54 IonicContact OD2-ND1 2.82Å
55	C	92.9	Very high	72.1	Confident	33 Å²	33	94.5 Å²	94.5	22%	0.223	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-87	151.9	169.7	-69.2	0	0	0	0	111.1	H59 R61 C68	C55-H59 HydrophobicContact CB-CB 3.99Å; C55-H59 WeakPolarHBondContact CB-O 3.5Å; C55-R61 WeakPolarHBondContact SG-CB 3.07Å; C55-C68 WeakPolarHBondContact CA-SG 3.23Å; C55-C68 HydrophobicContact CB-CB 3.79Å; C55-C68 WeakPolarHBondContact CB-SG 3.28Å; C55-C68 WeakPolarHBondContact SG-CB 3.37Å; C55-C68 CovalentContact SG-SG 2.04Å; C55-C68 PolarHBondContact SG-SG 3.32Å
56	P	94	Very high	74.4	Confident	81 Å²	81	98.2 Å²	98.2	53%	0.526	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-61.6	159.3	172.8	27.1	-33.5	0	0	0	110.7	G58 H59	P56-G58 PolarHBondContact O-N 2.98Å; P56-H59 HydrophobicContact CG-CB 4.03Å; P56-H59 WeakPolarHBondContact O-CB 3.24Å; P56-H59 PolarHBondContact O-N 3.26Å
57	Y	95	Very high	76.8	Confident	156 Å²	156	93.8 Å²	93.8	61%	0.612	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	140.6	175.3	179.6	-92.6	0	0	0	111.3	H59 W71 K127	Y57-H59 PolarHBondContact O-N 3.41Å; Y57-H59 PolarHBondContact O-ND1 3.22Å; Y57-W71 HydrophobicContact CD2-CH2 4.18Å; Y57-W71 HydrophobicContact CE1-CH2 4.39Å; Y57-W71 HydrophobicContact CE1-CZ3 4.35Å; Y57-W71 AromaticContact CE2-CH2 3.74Å; Y57-W71 HydrophobicContact CE2-CH2 3.74Å; Y57-W71 HydrophobicContact CE2-CZ3 4.38Å; Y57-W71 AromaticContact CZ-CH2 3.85Å; Y57-K127 WeakPolarHBondContact CE2-O 3.39Å
58	G	96.9	Very high	79.8	Confident	17 Å²	17	88.1 Å²	88.1	18%	0.175	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	5.7	-175.4	0	0	0	0	0	114.7	P56 P70 W71	P56-G58 PolarHBondContact O-N 2.98Å; G58-P70 CarbonylContact O-C 3.56Å; G58-P70 WeakPolarHBondContact O-CA 3.43Å; G58-W71 PolarHBondContact O-N 3.27Å
59	H	97.6	Very high	82.6	Confident	72 Å²	72	83.9 Å²	83.9	33%	0.333	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.5	179	-61.8	67.3	0	0	0	111.7	C55 P56 Y57 C68 S69	C55-H59 HydrophobicContact CB-CB 3.99Å; C55-H59 WeakPolarHBondContact CB-O 3.5Å; P56-H59 HydrophobicContact CG-CB 4.03Å; P56-H59 WeakPolarHBondContact O-CB 3.24Å; P56-H59 PolarHBondContact O-N 3.26Å; Y57-H59 PolarHBondContact O-N 3.41Å; Y57-H59 PolarHBondContact O-ND1 3.22Å; H59-C68 HydrophobicContact CB-CB 4.14Å; H59-S69 CarbonylContact C-O 3.53Å; H59-S69 WeakPolarHBondContact CA-O 3.05Å; H59-S69 VanDerWaalsContact CB-O 3.29Å; H59-S69 WeakPolarHBondContact CB-O 3.22Å
60	F	96.6	Very high	85.5	Confident	2 Å²	2	81.7 Å²	81.7	1%	0.009	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	164.1	179.3	73.3	-88.5	0	0	0	111.8	I62 M65 C68 S69 P70 W71 L72 W100 T136 L137 L138	F60-I62 HydrophobicContact CD2-CG1 4.41Å; F60-I62 HydrophobicContact CD2-CG2 4.26Å; F60-I62 HydrophobicContact CE2-CG1 4.29Å; F60-M65 HydrophobicContact CD2-CE 4.3Å; F60-M65 HydrophobicContact CD2-SD 4.38Å; F60-M65 HydrophobicContact CE2-CE 3.89Å; F60-M65 HydrophobicContact CE2-SD 3.95Å; F60-C68 CarbonylContact O-C 3.53Å; F60-C68 VanDerWaalsContact O-CA 3.29Å; F60-C68 WeakPolarHBondContact O-CA 3.2Å; F60-S69 WeakPolarHBondContact CD1-O 3.34Å; F60-S69 PolarHBondContact N-O 2.85Å; F60-S69 PolarHBondContact O-N 3.36Å; F60-P70 WeakPolarHBondContact CE1-O 3.22Å; F60-W71 AromaticContact CD1-CD1 3.92Å; F60-L72 HydrophobicContact CE1-CD2 4.34Å; F60-L72 HydrophobicContact CE1-CG 4.21Å; F60-L72 HydrophobicContact CZ-CD2 4.38Å; F60-L72 HydrophobicContact CZ-CG 4.35Å; F60-W100 AromaticContact CE2-CH2 3.79Å; F60-W100 HydrophobicContact CE2-CH2 3.79Å; F60-W100 AromaticContact CE2-CZ3 3.69Å; F60-W100 HydrophobicContact CE2-CZ3 3.69Å; F60-W100 AromaticContact CZ-CH2 3.45Å; F60-W100 HydrophobicContact CZ-CH2 3.45Å; F60-W100 VanDerWaalsContact CZ-CH2 3.45Å; F60-W100 HydrophobicContact CZ-CZ2 4.11Å; F60-W100 AromaticContact CZ-CZ3 3.74Å; F60-W100 HydrophobicContact CZ-CZ3 3.74Å; F60-T136 HydrophobicContact CB-CG2 3.87Å; F60-L137 VanDerWaalsContact CB-O 3.28Å; F60-L137 WeakPolarHBondContact CB-O 3.22Å; F60-L138 HydrophobicContact CD1-CB 4.42Å; F60-L138 HydrophobicContact CD2-CB 4.45Å; F60-L138 HydrophobicContact CD2-CD1 4.29Å; F60-L138 HydrophobicContact CD2-CG 3.72Å; F60-L138 HydrophobicContact CE1-CB 4.21Å; F60-L138 HydrophobicContact CE1-CG 4.41Å; F60-L138 VanDerWaalsContact CE1-O 3.26Å; F60-L138 WeakPolarHBondContact CE1-O 3.46Å; F60-L138 HydrophobicContact CE2-CB 4.29Å; F60-L138 HydrophobicContact CE2-CD2 4.15Å; F60-L138 HydrophobicContact CE2-CG 3.63Å; F60-L138 HydrophobicContact CG-CG 4.17Å; F60-L138 HydrophobicContact CZ-CB 4.14Å; F60-L138 HydrophobicContact CZ-CD2 4.48Å; F60-L138 HydrophobicContact CZ-CG 3.96Å
61	R	94.6	Very high	88	Confident	71 Å²	71	77.1 Å²	77.1	27%	0.268	40%	0.402	S	S	.	.			trans	-151.4	124.1	171.7	-175.4	177.6	60	68	15.7	107.7	R53 C55 M65	R53-R61 VanDerWaalsContact CA-NH2 3.27Å; R53-R61 PolarHBondContact O-NH2 3.21Å; C55-R61 WeakPolarHBondContact SG-CB 3.07Å; R61-M65 VanDerWaalsContact CD-O 3.22Å; R61-M65 WeakPolarHBondContact CD-O 3.47Å; R61-M65 HydrophobicContact CG-CB 3.64Å; R61-M65 VanDerWaalsContact CG-O 3.24Å; R61-M65 WeakPolarHBondContact CG-O 3.33Å
62	I	94.1	Very high	90.2	Very high	5 Å²	5	75.6 Å²	75.6	3%	0.026	39%	0.394	C	S	.	.			trans	-126.9	159.6	-178.9	58.4	158.1	0	0	0	111.2	F60 Q64 M65 H103 V105 T136 L138 E150	F60-I62 HydrophobicContact CD2-CG1 4.41Å; F60-I62 HydrophobicContact CD2-CG2 4.26Å; F60-I62 HydrophobicContact CE2-CG1 4.29Å; I62-Q64 PolarHBondContact O-N 3.33Å; I62-M65 HydrophobicContact CG1-SD 3.58Å; I62-M65 VanDerWaalsContact CG1-SD 3.58Å; I62-M65 PolarHBondContact N-SD 3.3Å; I62-M65 VanDerWaalsContact O-CB 3.28Å; I62-M65 WeakPolarHBondContact O-CB 3.34Å; I62-M65 VanDerWaalsContact O-CG 3.23Å; I62-M65 WeakPolarHBondContact O-CG 3.12Å; I62-M65 PolarHBondContact O-N 2.74Å; I62-H103 HydrophobicContact CD1-CB 3.77Å; I62-V105 HydrophobicContact CD1-CG1 4.4Å; I62-T136 HydrophobicContact CG2-CG2 3.81Å; I62-L138 HydrophobicContact CD1-CD2 3.84Å; I62-L138 HydrophobicContact CG2-CD1 3.95Å; I62-E150 HydrophobicContact CB-CG 4.4Å; I62-E150 HydrophobicContact CG2-CB 4.01Å; I62-E150 HydrophobicContact CG2-CG 3.98Å; I62-E150 WeakPolarHBondContact CG2-OE2 3.41Å
63	G	87.6	Confident	92.4	Very high	59 Å²	59	72.7 Å²	72.7	61%	0.608	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	-122.8	176.2	0	0	0	0	0	113.3
64	Q	86.9	Confident	94.1	Very high	189 Å²	189	67.2 Å²	67.2	88%	0.883	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	10.3	-177.7	-63.2	-173.9	-15.3	0	0	113.9	I62 K66	I62-Q64 PolarHBondContact O-N 3.33Å; Q64-K66 PolarHBondContact O-N 3.2Å
65	M	91.5	Very high	94.9	Very high	30 Å²	30	69.8 Å²	69.8	15%	0.148	37%	0.373	C	S	.	.			trans	-57.6	125.7	176.4	-69.8	172	65.7	0	0	110.2	F60 R61 I62 S69 W100	F60-M65 HydrophobicContact CD2-CE 4.3Å; F60-M65 HydrophobicContact CD2-SD 4.38Å; F60-M65 HydrophobicContact CE2-CE 3.89Å; F60-M65 HydrophobicContact CE2-SD 3.95Å; R61-M65 VanDerWaalsContact CD-O 3.22Å; R61-M65 WeakPolarHBondContact CD-O 3.47Å; R61-M65 HydrophobicContact CG-CB 3.64Å; R61-M65 VanDerWaalsContact CG-O 3.24Å; R61-M65 WeakPolarHBondContact CG-O 3.33Å; I62-M65 HydrophobicContact CG1-SD 3.58Å; I62-M65 VanDerWaalsContact CG1-SD 3.58Å; I62-M65 PolarHBondContact N-SD 3.3Å; I62-M65 VanDerWaalsContact O-CB 3.28Å; I62-M65 WeakPolarHBondContact O-CB 3.34Å; I62-M65 VanDerWaalsContact O-CG 3.23Å; I62-M65 WeakPolarHBondContact O-CG 3.12Å; I62-M65 PolarHBondContact O-N 2.74Å; M65-S69 VanDerWaalsContact CE-OG 3.26Å; M65-S69 WeakPolarHBondContact CE-OG 3.38Å; M65-W100 HydrophobicContact SD-CZ3 4.27Å
66	K	89	Confident	95.2	Very high	194 Å²	194	70.9 Å²	70.9	84%	0.843	38%	0.375	S	S	*	.	S	Bend	trans	-78.5	-36.2	177.8	-66.1	-174.3	179.6	-179.2	0	112.5	Q64	Q64-K66 PolarHBondContact O-N 3.2Å
67	N	93.7	Very high	95.4	Very high	126 Å²	126	67.6 Å²	67.6	67%	0.674	35%	0.353	S	S	*	.	S	Bend	trans	-114	152.1	-176	-61.4	-34.6	0	0	0	110
68	C	95.7	Very high	95.5	Very high	46 Å²	46	66.7 Å²	66.7	31%	0.311	35%	0.348	S	S	.	.			trans	-69	144.9	167.3	-62.7	0	0	0	0	110.5	C55 H59 F60	C55-C68 WeakPolarHBondContact CA-SG 3.23Å; C55-C68 HydrophobicContact CB-CB 3.79Å; C55-C68 WeakPolarHBondContact CB-SG 3.28Å; C55-C68 WeakPolarHBondContact SG-CB 3.37Å; C55-C68 CovalentContact SG-SG 2.04Å; C55-C68 PolarHBondContact SG-SG 3.32Å; H59-C68 HydrophobicContact CB-CB 4.14Å; F60-C68 CarbonylContact O-C 3.53Å; F60-C68 VanDerWaalsContact O-CA 3.29Å; F60-C68 WeakPolarHBondContact O-CA 3.2Å
69	S	96.4	Very high	95.6	Very high	37 Å²	37	70.8 Å²	70.8	26%	0.259	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147	173.7	-63.2	0	0	0	0	109.8	H59 F60 M65	H59-S69 CarbonylContact C-O 3.53Å; H59-S69 WeakPolarHBondContact CA-O 3.05Å; H59-S69 VanDerWaalsContact CB-O 3.29Å; H59-S69 WeakPolarHBondContact CB-O 3.22Å; F60-S69 WeakPolarHBondContact CD1-O 3.34Å; F60-S69 PolarHBondContact N-O 2.85Å; F60-S69 PolarHBondContact O-N 3.36Å; M65-S69 VanDerWaalsContact CE-OG 3.26Å; M65-S69 WeakPolarHBondContact CE-OG 3.38Å
70	P	98	Very high	95.6	Very high	78 Å²	78	70.7 Å²	70.7	51%	0.506	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	153.7	175	28.9	-35.4	0	0	0	110.4	G58 F60 L72	G58-P70 CarbonylContact O-C 3.56Å; G58-P70 WeakPolarHBondContact O-CA 3.43Å; F60-P70 WeakPolarHBondContact CE1-O 3.22Å; P70-L72 PolarHBondContact O-N 3.09Å
71	W	98.6	Very high	95.7	Very high	35 Å²	35	71.5 Å²	71.5	13%	0.133	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-56.1	135.9	171.7	-68.3	-29.6	0	0	0	110.7	Y57 G58 F60 K127 Q130 L137 L138 Y140	Y57-W71 HydrophobicContact CD2-CH2 4.18Å; Y57-W71 HydrophobicContact CE1-CH2 4.39Å; Y57-W71 HydrophobicContact CE1-CZ3 4.35Å; Y57-W71 AromaticContact CE2-CH2 3.74Å; Y57-W71 HydrophobicContact CE2-CH2 3.74Å; Y57-W71 HydrophobicContact CE2-CZ3 4.38Å; Y57-W71 AromaticContact CZ-CH2 3.85Å; G58-W71 PolarHBondContact O-N 3.27Å; F60-W71 AromaticContact CD1-CD1 3.92Å; W71-K127 HydrophobicContact CH2-CB 3.99Å; W71-K127 HydrophobicContact CH2-CG 4Å; W71-K127 HydrophobicContact CZ3-CB 4.32Å; W71-K127 HydrophobicContact CZ3-CG 3.93Å; W71-Q130 HydrophobicContact CZ2-CG 4.01Å; W71-L137 HydrophobicContact CD2-CD2 4.06Å; W71-L137 HydrophobicContact CD2-CG 4.39Å; W71-L137 HydrophobicContact CE3-CD2 4.32Å; W71-L137 HydrophobicContact CH2-CD2 4.11Å; W71-L137 HydrophobicContact CZ2-CD2 3.82Å; W71-L137 HydrophobicContact CZ2-CG 4.5Å; W71-L137 HydrophobicContact CZ3-CD2 4.34Å; W71-L137 PolarHBondContact NE1-O 3.42Å; W71-L137 VanDerWaalsContact NE1-O 3.08Å; W71-L138 CarbonylContact C-O 3.48Å; W71-L138 WeakPolarHBondContact CA-O 3.18Å; W71-Y140 AromaticContact CE3-CE1 3.96Å; W71-Y140 HydrophobicContact CE3-CE1 3.96Å; W71-Y140 HydrophobicContact CZ3-CE1 4.36Å
72	L	98.6	Very high	95.9	Very high	9 Å²	9	75.4 Å²	75.4	5%	0.047	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-65.3	136.6	-177.4	-56.9	-179.3	0	0	0	110.9	F60 P70 E76 L77 W100 L138 L148	F60-L72 HydrophobicContact CE1-CD2 4.34Å; F60-L72 HydrophobicContact CE1-CG 4.21Å; F60-L72 HydrophobicContact CZ-CD2 4.38Å; F60-L72 HydrophobicContact CZ-CG 4.35Å; P70-L72 PolarHBondContact O-N 3.09Å; L72-E76 HydrophobicContact CB-CB 4.1Å; L72-E76 HydrophobicContact CD2-CB 4.42Å; L72-L77 HydrophobicContact CB-CD1 3.35Å; L72-L77 HydrophobicContact CD1-CD1 4.2Å; L72-L77 HydrophobicContact CG-CD1 4.41Å; L72-W100 HydrophobicContact CD1-CD2 3.95Å; L72-W100 HydrophobicContact CD1-CG 4.04Å; L72-W100 HydrophobicContact CD1-CZ2 4.16Å; L72-W100 HydrophobicContact CD2-CZ2 3.65Å; L72-W100 HydrophobicContact CG-CZ2 4.42Å; L72-L138 PolarHBondContact N-O 3.42Å; L72-L148 HydrophobicContact CD1-CD2 3.7Å
73	S	98.3	Very high	96.1	Very high	51 Å²	51	78.7 Å²	78.7	36%	0.357	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-72.6	166.5	175.1	64.3	0	0	0	0	112.6	E75 E76 L77	S73-E75 PolarHBondContact O-N 3.33Å; S73-E76 WeakPolarHBondContact CB-OE2 3.23Å; S73-E76 PolarHBondContact N-OE2 3.07Å; S73-E76 PolarHBondContact O-N 3.2Å; S73-E76 WeakPolarHBondContact OG-CG 3.26Å; S73-E76 PolarHBondContact OG-N 3.17Å; S73-E76 PolarHBondContact OG-OE2 2.73Å; S73-L77 WeakPolarHBondContact O-CD1 3.19Å; S73-L77 PolarHBondContact O-N 3.48Å
74	C	98.6	Very high	96.6	Very high	35 Å²	35	79 Å²	79	24%	0.236	39%	0.392	C	S	.	.	H	α-helix	trans	-53.1	-39.8	170.7	-75.4	0	0	0	0	112.9	L77 R78 C141	C74-L77 PolarHBondContact O-N 2.82Å; C74-R78 WeakPolarHBondContact O-CB 3.03Å; C74-R78 WeakPolarHBondContact O-CD 3.37Å; C74-R78 WeakPolarHBondContact O-CG 3.03Å; C74-R78 PolarHBondContact O-N 3Å; C74-C141 HydrophobicContact CB-CB 3.87Å; C74-C141 WeakPolarHBondContact CB-SG 3.23Å; C74-C141 WeakPolarHBondContact SG-CA 3.49Å; C74-C141 WeakPolarHBondContact SG-CB 3.43Å; C74-C141 CovalentContact SG-SG 2.04Å; C74-C141 PolarHBondContact SG-SG 3.33Å
75	E	98.5	Very high	97.1	Very high	140 Å²	140	76.6 Å²	76.6	65%	0.654	38%	0.379	S	S	*	.	H	α-helix	trans	-65.8	-44.8	179.7	-175.9	174.4	-179.8	0	0	111.4	S73 R78 T79	S73-E75 PolarHBondContact O-N 3.33Å; E75-R78 PolarHBondContact O-N 3.08Å; E75-T79 HydrophobicContact CG-CG2 4.46Å; E75-T79 WeakPolarHBondContact O-CB 3.38Å; E75-T79 WeakPolarHBondContact O-CG2 3.29Å; E75-T79 PolarHBondContact O-N 2.82Å; E75-T79 PolarHBondContact O-OG1 3.12Å
76	E	98.5	Very high	97.4	Very high	55 Å²	55	82.3 Å²	82.3	26%	0.257	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-40.1	175.9	-70.5	165.2	110.8	0	0	111.6	L72 S73 R78 T79 E80	L72-E76 HydrophobicContact CB-CB 4.1Å; L72-E76 HydrophobicContact CD2-CB 4.42Å; S73-E76 WeakPolarHBondContact CB-OE2 3.23Å; S73-E76 PolarHBondContact N-OE2 3.07Å; S73-E76 PolarHBondContact O-N 3.2Å; S73-E76 WeakPolarHBondContact OG-CG 3.26Å; S73-E76 PolarHBondContact OG-N 3.17Å; S73-E76 PolarHBondContact OG-OE2 2.73Å; E76-R78 VanDerWaalsContact C-N 3.29Å; E76-R78 PolarHBondContact O-N 2.84Å; E76-T79 PolarHBondContact O-N 2.57Å; E76-E80 HydrophobicContact CB-CG 4.47Å; E76-E80 WeakPolarHBondContact O-CA 3.38Å; E76-E80 VanDerWaalsContact O-CB 3.3Å; E76-E80 WeakPolarHBondContact O-CB 3.48Å; E76-E80 PolarHBondContact O-N 3.06Å
77	L	98.6	Very high	97.8	Very high	13 Å²	13	76.1 Å²	76.1	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-59.9	-38.8	173.8	-98.1	66.7	0	0	0	112.1	L72 S73 C74 V81 C141	L72-L77 HydrophobicContact CB-CD1 3.35Å; L72-L77 HydrophobicContact CD1-CD1 4.2Å; L72-L77 HydrophobicContact CG-CD1 4.41Å; S73-L77 WeakPolarHBondContact O-CD1 3.19Å; S73-L77 PolarHBondContact O-N 3.48Å; C74-L77 PolarHBondContact O-N 2.82Å; L77-V81 HydrophobicContact CG-CG2 4.46Å; L77-V81 WeakPolarHBondContact O-CB 3.26Å; L77-C141 HydrophobicContact CD2-CB 4.17Å
78	R	98.2	Very high	97.8	Very high	136 Å²	136	71.5 Å²	71.5	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-76.4	-33.4	-179.7	-71.3	168.3	-175	148.5	0.8	113.2	C74 E75 E76 D144	C74-R78 WeakPolarHBondContact O-CB 3.03Å; C74-R78 WeakPolarHBondContact O-CD 3.37Å; C74-R78 WeakPolarHBondContact O-CG 3.03Å; C74-R78 PolarHBondContact O-N 3Å; E75-R78 PolarHBondContact O-N 3.08Å; E76-R78 VanDerWaalsContact C-N 3.29Å; E76-R78 PolarHBondContact O-N 2.84Å; R78-D144 IonicContact CZ-OD1 3.39Å; R78-D144 IonicContact CZ-OD2 3.95Å; R78-D144 IonicContact NE-OD1 3.22Å; R78-D144 IonicContact NE-OD2 2.9Å; R78-D144 PolarHBondContact NE-OD2 3.19Å; R78-D144 VanDerWaalsContact NH2-CG 3.26Å; R78-D144 IonicContact NH2-OD1 3.6Å; R78-D144 PolarHBondContact NH2-OD1 2.65Å; R78-D144 IonicContact NH2-OD2 3.29Å; R78-D144 PolarHBondContact NH2-OD2 3.45Å
79	T	98.1	Very high	97.8	Very high	103 Å²	103	74.1 Å²	74.1	63%	0.632	37%	0.366	S	S	*	.	H	α-helix	trans	-105.3	-31.3	-169	58.4	0	0	0	0	114	E75 E76	E75-T79 HydrophobicContact CG-CG2 4.46Å; E75-T79 WeakPolarHBondContact O-CB 3.38Å; E75-T79 WeakPolarHBondContact O-CG2 3.29Å; E75-T79 PolarHBondContact O-N 2.82Å; E75-T79 PolarHBondContact O-OG1 3.12Å; E76-T79 PolarHBondContact O-N 2.57Å
80	E	98.4	Very high	97.6	Very high	71 Å²	71	74.4 Å²	74.4	33%	0.332	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-17.6	-174.4	-54.5	-167.8	166.4	0	0	114	E76 W100 K101	E76-E80 HydrophobicContact CB-CG 4.47Å; E76-E80 WeakPolarHBondContact O-CA 3.38Å; E76-E80 VanDerWaalsContact O-CB 3.3Å; E76-E80 WeakPolarHBondContact O-CB 3.48Å; E76-E80 PolarHBondContact O-N 3.06Å; E80-W100 PolarHBondContact OE2-NE1 2.99Å; E80-K101 IonicContact OE1-NZ 2.87Å; E80-K101 PolarHBondContact OE1-NZ 3.48Å; E80-K101 WeakPolarHBondContact OE2-CE 3.37Å; E80-K101 IonicContact OE2-NZ 2.73Å; E80-K101 PolarHBondContact OE2-NZ 2.63Å
81	V	98.6	Very high	97.4	Very high	18 Å²	18	74.1 Å²	74.1	11%	0.109	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	111.5	-179.6	-176.3	0	0	0	0	110.6	L77 E99 W100 V105 L148	L77-V81 HydrophobicContact CG-CG2 4.46Å; L77-V81 WeakPolarHBondContact O-CB 3.26Å; V81-E99 WeakPolarHBondContact CA-O 3.39Å; V81-W100 HydrophobicContact CG2-CB 4.28Å; V81-V105 HydrophobicContact CG1-CG2 4.36Å; V81-L148 HydrophobicContact CG1-CD1 3.85Å; V81-L148 HydrophobicContact CG2-CD1 4.29Å; V81-L148 HydrophobicContact CG2-CD2 3.75Å
82	R	98.3	Very high	97.4	Very high	154 Å²	154	73.1 Å²	73.1	58%	0.581	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.8	174.8	-175.1	172.9	71.1	168.3	5.6	110.6	L84 S98 E99	R82-L84 HydrophobicContact CG-CD2 4.22Å; R82-S98 CarbonylContact O-C 3.55Å; R82-S98 VanDerWaalsContact O-CA 3.23Å; R82-S98 WeakPolarHBondContact O-CA 3.14Å; R82-S98 WeakPolarHBondContact O-CB 3.43Å; R82-E99 IonicContact CZ-OE2 2.91Å; R82-E99 VanDerWaalsContact CZ-OE2 3.31Å; R82-E99 PolarHBondContact N-O 2.87Å; R82-E99 IonicContact NE-OE2 3.67Å; R82-E99 PolarHBondContact NE-OE2 3.11Å; R82-E99 IonicContact NH2-OE2 3.37Å; R82-E99 PolarHBondContact NH2-OE2 3.5Å; R82-E99 PolarHBondContact O-N 2.81Å
83	Q	98	Very high	97.4	Very high	73 Å²	73	73.9 Å²	73.9	34%	0.341	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	133.2	171.8	-168.1	-175.7	-74.2	0	0	110.8	F96 S98	Q83-F96 HydrophobicContact CG-CB 3.7Å; Q83-F96 HydrophobicContact CG-CD1 3.96Å; Q83-F96 HydrophobicContact CG-CG 3.92Å; Q83-S98 WeakPolarHBondContact CA-OG 3.39Å
84	L	97.6	Very high	97.4	Very high	67 Å²	67	75.3 Å²	75.3	35%	0.351	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-102.6	175	-51.2	174.9	0	0	0	109.5	R82 L97 E99	R82-L84 HydrophobicContact CG-CD2 4.22Å; L84-L97 CarbonylContact C-O 3.36Å; L84-L97 VanDerWaalsContact CA-O 3.29Å; L84-L97 WeakPolarHBondContact CA-O 3.4Å; L84-L97 WeakPolarHBondContact CB-O 3.33Å; L84-L97 HydrophobicContact CD1-CD2 4.5Å; L84-L97 HydrophobicContact CD1-CG 4.22Å; L84-L97 PolarHBondContact N-O 2.04Å; L84-E99 HydrophobicContact CD1-CB 4.41Å
85	K	97.8	Very high	97.4	Very high	138 Å²	138	75.4 Å²	75.4	60%	0.6	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.9	-175.1	67	176.4	-177.2	175.1	0	112	V87 F96 L97	K85-V87 HydrophobicContact CG-CG1 4.12Å; K85-V87 PolarHBondContact O-N 3Å; K85-F96 CarbonylContact O-C 3.43Å; K85-F96 WeakPolarHBondContact O-CA 3.47Å; K85-L97 HydrophobicContact CG-CB 4.27Å; K85-L97 HydrophobicContact CG-CD2 4.46Å; K85-L97 PolarHBondContact N-O 3.21Å; K85-L97 PolarHBondContact O-N 3.16Å
86	R	98	Very high	97.4	Very high	149 Å²	149	70 Å²	70	56%	0.562	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	129.6	167.7	-169.3	173.5	60.5	-171.7	-5.6	108.9	E89 F96	R86-E89 IonicContact CZ-OE2 3.83Å; R86-E89 IonicContact NE-OE2 3.79Å; R86-E89 IonicContact NH1-OE2 3.35Å; R86-E89 PolarHBondContact NH1-OE2 3.49Å; R86-F96 HydrophobicContact CB-CD1 3.76Å; R86-F96 HydrophobicContact CB-CE1 3.71Å; R86-F96 HydrophobicContact CG-CD1 4.26Å; R86-F96 HydrophobicContact CG-CE1 4.02Å; R86-F96 HydrophobicContact CG-CZ 4.42Å
87	V	96.6	Very high	97.4	Very high	65 Å²	65	68.3 Å²	68.3	39%	0.394	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-15.6	180	-66.5	0	0	0	0	113.1	K85 V95 L97	K85-V87 HydrophobicContact CG-CG1 4.12Å; K85-V87 PolarHBondContact O-N 3Å; V87-V95 HydrophobicContact CG2-CB 4.21Å; V87-V95 HydrophobicContact CG2-CG1 3.85Å; V87-V95 WeakPolarHBondContact CG2-O 3.5Å; V87-V95 PolarHBondContact N-O 3.05Å; V87-L97 HydrophobicContact CG1-CB 3.63Å
88	G	94.2	Very high	97.4	Very high	28 Å²	28	67.7 Å²	67.7	29%	0.289	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	160.1	175.8	0	0	0	0	0	112	V95	G88-V95 PolarHBondContact N-O 2.81Å; G88-V95 PolarHBondContact O-N 2.89Å
89	E	95.2	Very high	97.4	Very high	101 Å²	101	63.1 Å²	63.1	47%	0.472	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	121.6	173.4	177.3	158.2	-172.7	0	0	108.4	R86 R94	R86-E89 IonicContact CZ-OE2 3.83Å; R86-E89 IonicContact NE-OE2 3.79Å; R86-E89 IonicContact NH1-OE2 3.35Å; R86-E89 PolarHBondContact NH1-OE2 3.49Å; E89-R94 HydrophobicContact CG-CG 3.99Å; E89-R94 IonicContact OE1-NE 2.67Å; E89-R94 PolarHBondContact OE1-NE 3.22Å
90	G	93	Very high	97.4	Very high	43 Å²	43	58.7 Å²	58.7	44%	0.443	30%	0.297	S	S	.	.			trans	-118.6	-176.2	171.6	0	0	0	0	0	110.8	V92 K93 T111	G90-V92 VanDerWaalsContact C-N 3.35Å; G90-V92 PolarHBondContact O-N 2.9Å; G90-K93 PolarHBondContact N-O 3.46Å; G90-T111 PolarHBondContact O-OG1 2.77Å
91	A	94.8	Very high	97.2	Very high	73 Å²	73	60.9 Å²	60.9	60%	0.603	31%	0.306	S	S	*	.	S	Bend	trans	-57.4	-47.7	179.7	0	0	0	0	0	111.8	T111 M115	A91-T111 VanDerWaalsContact O-CB 3.3Å; A91-T111 WeakPolarHBondContact O-CB 3.38Å; A91-M115 HydrophobicContact CB-CE 4.13Å
92	V	97.2	Very high	97	Very high	14 Å²	14	68.8 Å²	68.8	9%	0.085	34%	0.341	C	S	.	.	S	Bend	trans	-84.8	-42.1	-175.6	-170.6	0	0	0	0	112.3	G90 L110 T111 M115 D118 F119 D229	G90-V92 VanDerWaalsContact C-N 3.35Å; G90-V92 PolarHBondContact O-N 2.9Å; V92-L110 HydrophobicContact CG1-CD1 4.49Å; V92-L110 WeakPolarHBondContact O-CA 3.28Å; V92-T111 PolarHBondContact O-N 3.19Å; V92-T111 PolarHBondContact O-OG1 3.08Å; V92-M115 HydrophobicContact CG1-CB 4.37Å; V92-M115 HydrophobicContact CG2-CE 3.65Å; V92-D118 HydrophobicContact CG1-CB 4.25Å; V92-D118 HydrophobicContact CG2-CB 3.88Å; V92-F119 HydrophobicContact CG1-CB 3.66Å; V92-F119 HydrophobicContact CG1-CD2 4.33Å; V92-D229 VanDerWaalsContact CB-OD2 3.22Å; V92-D229 WeakPolarHBondContact CB-OD2 3.45Å; V92-D229 WeakPolarHBondContact CG1-OD2 3.25Å; V92-D229 HydrophobicContact CG2-CB 4.22Å; V92-D229 WeakPolarHBondContact CG2-OD2 3.27Å
93	K	98.3	Very high	97	Very high	25 Å²	25	63.9 Å²	63.9	11%	0.109	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.2	-166.9	-64.8	166.8	-59	-153.2	0	113.4	G90 R109 T111 F119 D227 D229	G90-K93 PolarHBondContact N-O 3.46Å; K93-R109 CarbonylContact C-O 3.56Å; K93-R109 VanDerWaalsContact CA-O 3.3Å; K93-R109 WeakPolarHBondContact CA-O 3.5Å; K93-T111 WeakPolarHBondContact CA-OG1 3.34Å; K93-T111 PolarHBondContact N-OG1 2.98Å; K93-F119 HydrophobicContact CD-CD2 4.33Å; K93-F119 HydrophobicContact CG-CD2 3.93Å; K93-F119 HydrophobicContact CG-CE2 4.25Å; K93-D227 IonicContact NZ-OD1 3.4Å; K93-D227 PolarHBondContact NZ-OD1 3.21Å; K93-D229 WeakPolarHBondContact CE-OD2 3.46Å; K93-D229 IonicContact NZ-OD1 2.76Å; K93-D229 PolarHBondContact NZ-OD1 3.28Å; K93-D229 IonicContact NZ-OD2 2.65Å; K93-D229 PolarHBondContact NZ-OD2 2.91Å
94	R	98.3	Very high	96.9	Very high	81 Å²	81	64.8 Å²	64.8	31%	0.306	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.9	157.9	-57.6	-175.5	-163.6	101.7	3.7	108.9	E89 F96 S108 R109 T111	E89-R94 HydrophobicContact CG-CG 3.99Å; E89-R94 IonicContact OE1-NE 2.67Å; E89-R94 PolarHBondContact OE1-NE 3.22Å; R94-F96 HydrophobicContact CB-CE2 3.66Å; R94-F96 HydrophobicContact CB-CZ 4.04Å; R94-S108 CarbonylContact O-C 3.55Å; R94-S108 WeakPolarHBondContact O-CA 3.44Å; R94-R109 PolarHBondContact N-O 3.12Å; R94-R109 PolarHBondContact O-N 3.34Å; R94-T111 PolarHBondContact N-OG1 3.37Å; R94-T111 PolarHBondContact NH2-O 3.18Å
95	V	98.3	Very high	97	Very high	36 Å²	36	61.6 Å²	61.6	22%	0.218	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.8	-175.9	-171.4	0	0	0	0	109.9	V87 G88 A106	V87-V95 HydrophobicContact CG2-CB 4.21Å; V87-V95 HydrophobicContact CG2-CG1 3.85Å; V87-V95 WeakPolarHBondContact CG2-O 3.5Å; V87-V95 PolarHBondContact N-O 3.05Å; G88-V95 PolarHBondContact N-O 2.81Å; G88-V95 PolarHBondContact O-N 2.89Å; V95-A106 HydrophobicContact CG1-CB 4.19Å
96	F	98.6	Very high	97	Very high	26 Å²	26	55.4 Å²	55.4	11%	0.114	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.1	-180	-57.4	-96.2	0	0	0	110.1	Q83 K85 R86 R94 S98 L107 R109	Q83-F96 HydrophobicContact CG-CB 3.7Å; Q83-F96 HydrophobicContact CG-CD1 3.96Å; Q83-F96 HydrophobicContact CG-CG 3.92Å; K85-F96 CarbonylContact O-C 3.43Å; K85-F96 WeakPolarHBondContact O-CA 3.47Å; R86-F96 HydrophobicContact CB-CD1 3.76Å; R86-F96 HydrophobicContact CB-CE1 3.71Å; R86-F96 HydrophobicContact CG-CD1 4.26Å; R86-F96 HydrophobicContact CG-CE1 4.02Å; R86-F96 HydrophobicContact CG-CZ 4.42Å; R94-F96 HydrophobicContact CB-CE2 3.66Å; R94-F96 HydrophobicContact CB-CZ 4.04Å; F96-S98 PolarHBondContact O-N 2.84Å; F96-S98 PolarHBondContact O-OG 3.27Å; F96-L107 HydrophobicContact CB-CB 4.47Å; F96-L107 WeakPolarHBondContact CD2-O 3.29Å; F96-L107 PolarHBondContact N-O 3.02Å; F96-L107 PolarHBondContact O-N 2.78Å; F96-R109 HydrophobicContact CD2-CG 4.31Å; F96-R109 HydrophobicContact CE2-CB 4.42Å; F96-R109 HydrophobicContact CE2-CG 4.09Å
97	L	98.7	Very high	97.1	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	127.9	160.6	174.3	60.4	0	0	0	107.5	L84 K85 V87 K104 Y151	L84-L97 CarbonylContact C-O 3.36Å; L84-L97 VanDerWaalsContact CA-O 3.29Å; L84-L97 WeakPolarHBondContact CA-O 3.4Å; L84-L97 WeakPolarHBondContact CB-O 3.33Å; L84-L97 HydrophobicContact CD1-CD2 4.5Å; L84-L97 HydrophobicContact CD1-CG 4.22Å; L84-L97 PolarHBondContact N-O 2.04Å; K85-L97 HydrophobicContact CG-CB 4.27Å; K85-L97 HydrophobicContact CG-CD2 4.46Å; K85-L97 PolarHBondContact N-O 3.21Å; K85-L97 PolarHBondContact O-N 3.16Å; V87-L97 HydrophobicContact CG1-CB 3.63Å; L97-K104 HydrophobicContact CD1-CB 4.08Å; L97-K104 HydrophobicContact CD1-CD 4.24Å; L97-K104 HydrophobicContact CD1-CG 4.43Å; L97-Y151 HydrophobicContact CD1-CD1 3.7Å; L97-Y151 HydrophobicContact CD1-CD2 3.84Å; L97-Y151 HydrophobicContact CD1-CE1 3.73Å; L97-Y151 HydrophobicContact CD1-CE2 3.9Å; L97-Y151 HydrophobicContact CD1-CG 3.73Å
98	S	98.7	Very high	97.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	175.5	-176.7	-59	0	0	0	0	109.5	R82 Q83 F96 V105 L107	R82-S98 CarbonylContact O-C 3.55Å; R82-S98 VanDerWaalsContact O-CA 3.23Å; R82-S98 WeakPolarHBondContact O-CA 3.14Å; R82-S98 WeakPolarHBondContact O-CB 3.43Å; Q83-S98 WeakPolarHBondContact CA-OG 3.39Å; F96-S98 PolarHBondContact O-N 2.84Å; F96-S98 PolarHBondContact O-OG 3.27Å; S98-V105 PolarHBondContact N-O 3.46Å; S98-V105 PolarHBondContact O-N 2.83Å; S98-L107 VanDerWaalsContact OG-CB 3.29Å; S98-L107 WeakPolarHBondContact OG-CB 3.48Å
99	E	98.3	Very high	97.4	Very high	40 Å²	40	49.7 Å²	49.7	19%	0.187	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.4	179.8	-177	167.2	-113.8	0	0	111	V81 R82 L84 H103 K104	V81-E99 WeakPolarHBondContact CA-O 3.39Å; R82-E99 IonicContact CZ-OE2 2.91Å; R82-E99 VanDerWaalsContact CZ-OE2 3.31Å; R82-E99 PolarHBondContact N-O 2.87Å; R82-E99 IonicContact NE-OE2 3.67Å; R82-E99 PolarHBondContact NE-OE2 3.11Å; R82-E99 IonicContact NH2-OE2 3.37Å; R82-E99 PolarHBondContact NH2-OE2 3.5Å; R82-E99 PolarHBondContact O-N 2.81Å; L84-E99 HydrophobicContact CD1-CB 4.41Å; E99-H103 VanDerWaalsContact CA-O 3.29Å; E99-H103 WeakPolarHBondContact CA-O 3.49Å; E99-K104 IonicContact OE1-NZ 3.78Å; E99-K104 PolarHBondContact OE1-NZ 3.46Å; E99-K104 IonicContact OE2-NZ 3.61Å
100	W	98	Very high	97.5	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.038	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	121.2	176	169.4	74.5	0	0	0	108.9	F60 M65 L72 E80 V81 E102 H103 V105 L138	F60-W100 AromaticContact CE2-CH2 3.79Å; F60-W100 HydrophobicContact CE2-CH2 3.79Å; F60-W100 AromaticContact CE2-CZ3 3.69Å; F60-W100 HydrophobicContact CE2-CZ3 3.69Å; F60-W100 AromaticContact CZ-CH2 3.45Å; F60-W100 HydrophobicContact CZ-CH2 3.45Å; F60-W100 VanDerWaalsContact CZ-CH2 3.45Å; F60-W100 HydrophobicContact CZ-CZ2 4.11Å; F60-W100 AromaticContact CZ-CZ3 3.74Å; F60-W100 HydrophobicContact CZ-CZ3 3.74Å; M65-W100 HydrophobicContact SD-CZ3 4.27Å; L72-W100 HydrophobicContact CD1-CD2 3.95Å; L72-W100 HydrophobicContact CD1-CG 4.04Å; L72-W100 HydrophobicContact CD1-CZ2 4.16Å; L72-W100 HydrophobicContact CD2-CZ2 3.65Å; L72-W100 HydrophobicContact CG-CZ2 4.42Å; E80-W100 PolarHBondContact OE2-NE1 2.99Å; V81-W100 HydrophobicContact CG2-CB 4.28Å; W100-E102 VanDerWaalsContact C-N 3.28Å; W100-E102 PolarHBondContact O-N 2.91Å; W100-H103 PolarHBondContact N-O 2.83Å; W100-H103 WeakPolarHBondContact O-CA 3.41Å; W100-H103 WeakPolarHBondContact O-CB 3.47Å; W100-H103 PolarHBondContact O-N 2.78Å; W100-V105 HydrophobicContact CB-CG1 4.23Å; W100-V105 HydrophobicContact CB-CG2 4.05Å; W100-L138 HydrophobicContact CE3-CD2 4.24Å
101	K	95.7	Very high	97.7	Very high	116 Å²	116	45.2 Å²	45.2	50%	0.504	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.9	53	-178.1	-65.5	-178.8	178.6	148.1	0	112.7	E80 H103	E80-K101 IonicContact OE1-NZ 2.87Å; E80-K101 PolarHBondContact OE1-NZ 3.48Å; E80-K101 WeakPolarHBondContact OE2-CE 3.37Å; E80-K101 IonicContact OE2-NZ 2.73Å; E80-K101 PolarHBondContact OE2-NZ 2.63Å; K101-H103 PolarHBondContact O-N 2.99Å; K101-H103 VanDerWaalsContact O-N 3.08Å; K101-H103 PolarHBondContact O-ND1 3.29Å
102	E	94	Very high	97.9	Very high	185 Å²	185	43.9 Å²	43.9	86%	0.864	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	0.1	-178.6	-51.1	-179.4	159.8	0	0	116.1	W100	W100-E102 VanDerWaalsContact C-N 3.28Å; W100-E102 PolarHBondContact O-N 2.91Å
103	H	96.8	Very high	97.9	Very high	51 Å²	51	49.4 Å²	49.4	24%	0.236	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.7	173.4	-62	73.9	0	0	0	110.3	I62 E99 W100 K101 V105	I62-H103 HydrophobicContact CD1-CB 3.77Å; E99-H103 VanDerWaalsContact CA-O 3.29Å; E99-H103 WeakPolarHBondContact CA-O 3.49Å; W100-H103 PolarHBondContact N-O 2.83Å; W100-H103 WeakPolarHBondContact O-CA 3.41Å; W100-H103 WeakPolarHBondContact O-CB 3.47Å; W100-H103 PolarHBondContact O-N 2.78Å; K101-H103 PolarHBondContact O-N 2.99Å; K101-H103 VanDerWaalsContact O-N 3.08Å; K101-H103 PolarHBondContact O-ND1 3.29Å; H103-V105 HydrophobicContact CB-CG1 4.45Å
104	K	97.7	Very high	97.8	Very high	91 Å²	91	56.5 Å²	56.5	40%	0.396	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.2	167.5	-61.8	-51.5	-177.1	-160.9	0	109.4	L97 E99 Y151	L97-K104 HydrophobicContact CD1-CB 4.08Å; L97-K104 HydrophobicContact CD1-CD 4.24Å; L97-K104 HydrophobicContact CD1-CG 4.43Å; E99-K104 IonicContact OE1-NZ 3.78Å; E99-K104 PolarHBondContact OE1-NZ 3.46Å; E99-K104 IonicContact OE2-NZ 3.61Å; K104-Y151 HydrophobicContact CB-CD1 3.77Å; K104-Y151 HydrophobicContact CB-CG 4.29Å; K104-Y151 WeakPolarHBondContact O-CB 3.44Å
105	V	98.5	Very high	97.8	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.1	-175.2	-64.2	0	0	0	0	110	I62 V81 S98 W100 H103 L138 L148	I62-V105 HydrophobicContact CD1-CG1 4.4Å; V81-V105 HydrophobicContact CG1-CG2 4.36Å; S98-V105 PolarHBondContact N-O 3.46Å; S98-V105 PolarHBondContact O-N 2.83Å; W100-V105 HydrophobicContact CB-CG1 4.23Å; W100-V105 HydrophobicContact CB-CG2 4.05Å; H103-V105 HydrophobicContact CB-CG1 4.45Å; V105-L138 HydrophobicContact CB-CD2 4.3Å; V105-L138 HydrophobicContact CG1-CD2 3.39Å; V105-L148 HydrophobicContact CB-CD1 3.98Å; V105-L148 HydrophobicContact CB-CD2 4.5Å; V105-L148 HydrophobicContact CB-CG 4.19Å; V105-L148 HydrophobicContact CG2-CD1 3.69Å; V105-L148 HydrophobicContact CG2-CD2 4.38Å; V105-L148 HydrophobicContact CG2-CG 4.29Å
106	A	98.6	Very high	97.7	Very high	9 Å²	9	57 Å²	57	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.9	177.7	0	0	0	0	0	109.1	V95 L148 T149 Y151	V95-A106 HydrophobicContact CG1-CB 4.19Å; A106-L148 WeakPolarHBondContact O-CA 3.3Å; A106-T149 PolarHBondContact N-O 3.32Å; A106-T149 PolarHBondContact O-N 2.86Å; A106-Y151 HydrophobicContact CB-CD2 4.4Å
107	L	98.8	Very high	97.7	Very high	8 Å²	8	62 Å²	62	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	111.6	173.6	-179	68.1	0	0	0	108.6	F96 S98 R109 L148	F96-L107 HydrophobicContact CB-CB 4.47Å; F96-L107 WeakPolarHBondContact CD2-O 3.29Å; F96-L107 PolarHBondContact N-O 3.02Å; F96-L107 PolarHBondContact O-N 2.78Å; S98-L107 VanDerWaalsContact OG-CB 3.29Å; S98-L107 WeakPolarHBondContact OG-CB 3.48Å; L107-R109 HydrophobicContact CG-CG 4.39Å; L107-L148 HydrophobicContact CB-CD1 4.02Å; L107-L148 HydrophobicContact CD1-CD1 3.99Å
108	S	98.6	Very high	97.6	Very high	11 Å²	11	64.4 Å²	64.4	8%	0.077	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.2	173.2	-62.4	0	0	0	0	110	R94 T146 I147	R94-S108 CarbonylContact O-C 3.55Å; R94-S108 WeakPolarHBondContact O-CA 3.44Å; S108-T146 CarbonylContact O-C 3.59Å; S108-T146 VanDerWaalsContact O-CA 3.25Å; S108-T146 WeakPolarHBondContact O-CA 3.43Å; S108-I147 PolarHBondContact N-O 2.99Å; S108-I147 PolarHBondContact O-N 3.39Å
109	R	98.5	Very high	97.6	Very high	103 Å²	103	64.4 Å²	64.4	39%	0.389	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.3	176.3	-55.8	-166.3	171.8	174.8	-3.9	110.2	K93 R94 F96 L107 T111 N145 T146	K93-R109 CarbonylContact C-O 3.56Å; K93-R109 VanDerWaalsContact CA-O 3.3Å; K93-R109 WeakPolarHBondContact CA-O 3.5Å; R94-R109 PolarHBondContact N-O 3.12Å; R94-R109 PolarHBondContact O-N 3.34Å; F96-R109 HydrophobicContact CD2-CG 4.31Å; F96-R109 HydrophobicContact CE2-CB 4.42Å; F96-R109 HydrophobicContact CE2-CG 4.09Å; L107-R109 HydrophobicContact CG-CG 4.39Å; R109-T111 PolarHBondContact O-N 3.4Å; R109-N145 WeakPolarHBondContact CA-O 3.47Å; R109-T146 HydrophobicContact CB-CG2 4.44Å; R109-T146 HydrophobicContact CG-CG2 3.81Å
110	L	98.5	Very high	97.6	Very high	18 Å²	18	65.3 Å²	65.3	9%	0.094	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	133.3	173.3	-179	67.3	0	0	0	111.6	V92 S112 L113 M115 K116 F119 N145	V92-L110 HydrophobicContact CG1-CD1 4.49Å; V92-L110 WeakPolarHBondContact O-CA 3.28Å; L110-S112 VanDerWaalsContact CD1-O 3.28Å; L110-S112 WeakPolarHBondContact CD1-O 3.26Å; L110-S112 VanDerWaalsContact CG-O 3.28Å; L110-S112 WeakPolarHBondContact CG-O 3.45Å; L110-L113 HydrophobicContact CD2-CD2 4.21Å; L110-M115 HydrophobicContact CD1-CB 4.11Å; L110-K116 HydrophobicContact CD2-CB 4.14Å; L110-K116 HydrophobicContact CD2-CG 4.34Å; L110-F119 HydrophobicContact CB-CD2 4.14Å; L110-F119 HydrophobicContact CB-CE2 4.32Å; L110-F119 HydrophobicContact CB-CG 4.43Å; L110-F119 HydrophobicContact CD1-CB 3.62Å; L110-F119 HydrophobicContact CD1-CD2 4.1Å; L110-F119 HydrophobicContact CD1-CG 3.93Å; L110-N145 HydrophobicContact CB-CB 3.5Å; L110-N145 HydrophobicContact CD2-CB 3.88Å; L110-N145 HydrophobicContact CG-CB 4.35Å; L110-N145 PolarHBondContact N-O 2.94Å
111	T	97.8	Very high	97.6	Very high	31 Å²	31	67.4 Å²	67.4	19%	0.19	33%	0.329	C	S	.	.	S	Bend	trans	-77.4	-46.5	-179.6	-62.1	0	0	0	0	111.5	G90 A91 V92 K93 R94 R109	G90-T111 PolarHBondContact O-OG1 2.77Å; A91-T111 VanDerWaalsContact O-CB 3.3Å; A91-T111 WeakPolarHBondContact O-CB 3.38Å; V92-T111 PolarHBondContact O-N 3.19Å; V92-T111 PolarHBondContact O-OG1 3.08Å; K93-T111 WeakPolarHBondContact CA-OG1 3.34Å; K93-T111 PolarHBondContact N-OG1 2.98Å; R94-T111 PolarHBondContact N-OG1 3.37Å; R94-T111 PolarHBondContact NH2-O 3.18Å; R109-T111 PolarHBondContact O-N 3.4Å
112	S	97.6	Very high	97.8	Very high	46 Å²	46	62 Å²	62	32%	0.322	31%	0.306	S	S	.	.			trans	-147	149	-179	176.2	0	0	0	0	110.5	L110 E114 M115	L110-S112 VanDerWaalsContact CD1-O 3.28Å; L110-S112 WeakPolarHBondContact CD1-O 3.26Å; L110-S112 VanDerWaalsContact CG-O 3.28Å; L110-S112 WeakPolarHBondContact CG-O 3.45Å; S112-E114 PolarHBondContact O-N 3.5Å; S112-E114 PolarHBondContact OG-N 2.95Å; S112-M115 PolarHBondContact O-N 2.91Å
113	L	96.8	Very high	98	Very high	130 Å²	130	53.3 Å²	53.3	68%	0.681	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-61.6	-23.8	175.5	-69.1	176.8	0	0	0	113.3	L110 M115 K116	L110-L113 HydrophobicContact CD2-CD2 4.21Å; L113-M115 PolarHBondContact O-N 2.82Å; L113-K116 WeakPolarHBondContact O-CB 3.47Å; L113-K116 PolarHBondContact O-N 3.47Å
114	E	97.1	Very high	98.1	Very high	174 Å²	174	54.7 Å²	54.7	81%	0.813	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.5	174.7	-65.4	171.8	176.2	0	0	112.4	S112	S112-E114 PolarHBondContact O-N 3.5Å; S112-E114 PolarHBondContact OG-N 2.95Å
115	M	97.1	Very high	98.1	Very high	48 Å²	48	50.6 Å²	50.6	24%	0.236	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-96.6	13.2	179.5	-55.9	-59.2	-59	0	0	112.4	A91 V92 L110 S112 L113 D117 D118 F119	A91-M115 HydrophobicContact CB-CE 4.13Å; V92-M115 HydrophobicContact CG1-CB 4.37Å; V92-M115 HydrophobicContact CG2-CE 3.65Å; L110-M115 HydrophobicContact CD1-CB 4.11Å; S112-M115 PolarHBondContact O-N 2.91Å; L113-M115 PolarHBondContact O-N 2.82Å; M115-D117 VanDerWaalsContact C-N 3.33Å; M115-D117 PolarHBondContact O-N 3.11Å; M115-D118 HydrophobicContact CE-CB 4.48Å; M115-D118 WeakPolarHBondContact CE-OD2 3.13Å; M115-D118 PolarHBondContact O-N 3.26Å; M115-F119 WeakPolarHBondContact O-CB 3.49Å; M115-F119 PolarHBondContact O-N 3.47Å; M115-F119 VanDerWaalsContact O-N 3.07Å
116	K	97.7	Very high	98.1	Very high	80 Å²	80	51.1 Å²	51.1	35%	0.348	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-36.7	-172.8	-173.8	172.5	-176	178	0	112.4	L110 L113 F119 L120	L110-K116 HydrophobicContact CD2-CB 4.14Å; L110-K116 HydrophobicContact CD2-CG 4.34Å; L113-K116 WeakPolarHBondContact O-CB 3.47Å; L113-K116 PolarHBondContact O-N 3.47Å; K116-F119 WeakPolarHBondContact O-CB 3.23Å; K116-F119 PolarHBondContact O-N 2.99Å; K116-L120 HydrophobicContact CG-CD1 4.13Å; K116-L120 HydrophobicContact CG-CG 4.32Å; K116-L120 WeakPolarHBondContact O-CG 3.44Å; K116-L120 PolarHBondContact O-N 3.34Å
117	D	97.8	Very high	98	Very high	129 Å²	129	51.9 Å²	51.9	69%	0.69	26%	0.259	S	S	*	.	H	α-helix	trans	-66.2	-44.9	-179.7	-68	-19.2	0	0	0	111.3	M115 F119 L120 H121	M115-D117 VanDerWaalsContact C-N 3.33Å; M115-D117 PolarHBondContact O-N 3.11Å; D117-F119 VanDerWaalsContact C-N 3.31Å; D117-F119 PolarHBondContact O-N 2.93Å; D117-L120 PolarHBondContact O-N 3.46Å; D117-H121 WeakPolarHBondContact O-CB 3.27Å; D117-H121 PolarHBondContact O-N 2.93Å
118	D	97.7	Very high	98	Very high	73 Å²	73	52.6 Å²	52.6	39%	0.39	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-39.9	174.9	-64.3	-20.6	0	0	0	111.5	V92 M115 H121 G122	V92-D118 HydrophobicContact CG1-CB 4.25Å; V92-D118 HydrophobicContact CG2-CB 3.88Å; M115-D118 HydrophobicContact CE-CB 4.48Å; M115-D118 WeakPolarHBondContact CE-OD2 3.13Å; M115-D118 PolarHBondContact O-N 3.26Å; D118-H121 PolarHBondContact O-N 2.83Å; D118-G122 PolarHBondContact O-N 2.85Å
119	F	98.5	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-44.5	175.7	177.2	-88.3	0	0	0	112.6	V92 K93 L110 M115 K116 D117 G122 L123 N145 I147	V92-F119 HydrophobicContact CG1-CB 3.66Å; V92-F119 HydrophobicContact CG1-CD2 4.33Å; K93-F119 HydrophobicContact CD-CD2 4.33Å; K93-F119 HydrophobicContact CG-CD2 3.93Å; K93-F119 HydrophobicContact CG-CE2 4.25Å; L110-F119 HydrophobicContact CB-CD2 4.14Å; L110-F119 HydrophobicContact CB-CE2 4.32Å; L110-F119 HydrophobicContact CB-CG 4.43Å; L110-F119 HydrophobicContact CD1-CB 3.62Å; L110-F119 HydrophobicContact CD1-CD2 4.1Å; L110-F119 HydrophobicContact CD1-CG 3.93Å; M115-F119 WeakPolarHBondContact O-CB 3.49Å; M115-F119 PolarHBondContact O-N 3.47Å; M115-F119 VanDerWaalsContact O-N 3.07Å; K116-F119 WeakPolarHBondContact O-CB 3.23Å; K116-F119 PolarHBondContact O-N 2.99Å; D117-F119 VanDerWaalsContact C-N 3.31Å; D117-F119 PolarHBondContact O-N 2.93Å; F119-G122 PolarHBondContact O-N 2.96Å; F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 PolarHBondContact O-N 3.18Å; F119-N145 HydrophobicContact CE1-CB 4.09Å; F119-N145 HydrophobicContact CZ-CB 4.22Å; F119-N145 VanDerWaalsContact CZ-O 3.28Å; F119-N145 WeakPolarHBondContact CZ-O 3.48Å; F119-I147 HydrophobicContact CD2-CD1 4.45Å; F119-I147 HydrophobicContact CE1-CD1 4.42Å; F119-I147 HydrophobicContact CE1-CG1 4.36Å; F119-I147 HydrophobicContact CE2-CD1 3.84Å; F119-I147 HydrophobicContact CE2-CG1 3.9Å; F119-I147 HydrophobicContact CZ-CD1 3.81Å; F119-I147 HydrophobicContact CZ-CG1 3.56Å
120	L	98.4	Very high	97.8	Very high	58 Å²	58	49.8 Å²	49.8	30%	0.304	25%	0.254	S	S	.	.	H	α-helix	trans	-69.7	-36.9	178.4	-70.1	177.1	0	0	0	111.6	K116 D117 L123 Q124 E142	K116-L120 HydrophobicContact CG-CD1 4.13Å; K116-L120 HydrophobicContact CG-CG 4.32Å; K116-L120 WeakPolarHBondContact O-CG 3.44Å; K116-L120 PolarHBondContact O-N 3.34Å; D117-L120 PolarHBondContact O-N 3.46Å; L120-L123 PolarHBondContact O-N 2.89Å; L120-Q124 WeakPolarHBondContact O-CB 3.44Å; L120-Q124 PolarHBondContact O-N 3.25Å; L120-E142 HydrophobicContact CD2-CG 4.45Å
121	H	98.3	Very high	97.6	Very high	54 Å²	54	50.1 Å²	50.1	25%	0.25	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-50.5	171.1	177.6	83.3	0	0	0	110.8	D117 D118 L123 Q124 M125 D229 L231	D117-H121 WeakPolarHBondContact O-CB 3.27Å; D117-H121 PolarHBondContact O-N 2.93Å; D118-H121 PolarHBondContact O-N 2.83Å; H121-L123 VanDerWaalsContact C-N 3.34Å; H121-L123 PolarHBondContact O-N 3.43Å; H121-Q124 PolarHBondContact O-N 3.17Å; H121-Q124 VanDerWaalsContact O-N 3.1Å; H121-M125 WeakPolarHBondContact NE2-CG 3.26Å; H121-M125 WeakPolarHBondContact O-CG 3.39Å; H121-M125 PolarHBondContact O-N 2.91Å; H121-D229 PolarHBondContact CD2-O 3.47Å; H121-L231 PolarHBondContact CE1-O 3.2Å; H121-L231 VanDerWaalsContact CE1-O 3.31Å; H121-L231 PolarHBondContact NE2-N 2.89Å; H121-L231 PolarHBondContact NE2-O 3.42Å
122	G	98.3	Very high	97.3	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-43.2	176.6	0	0	0	0	0	113	D118 F119 M125 L126 D229	D118-G122 PolarHBondContact O-N 2.85Å; F119-G122 PolarHBondContact O-N 2.96Å; G122-M125 PolarHBondContact O-N 3.34Å; G122-L126 VanDerWaalsContact O-CB 3.26Å; G122-L126 WeakPolarHBondContact O-CB 3.21Å; G122-L126 PolarHBondContact O-N 3Å; G122-D229 WeakPolarHBondContact CA-OD1 3.5Å
123	L	98.6	Very high	97.3	Very high	3 Å²	3	52 Å²	52	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-44	173.7	175.8	57.3	0	0	0	112	F119 L120 H121 L126 K127 Y140 E142 I147	F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 PolarHBondContact O-N 3.18Å; L120-L123 PolarHBondContact O-N 2.89Å; H121-L123 VanDerWaalsContact C-N 3.34Å; H121-L123 PolarHBondContact O-N 3.43Å; L123-L126 PolarHBondContact O-N 2.96Å; L123-K127 HydrophobicContact CD1-CD 3.97Å; L123-K127 HydrophobicContact CD1-CG 4.16Å; L123-K127 HydrophobicContact CG-CD 3.99Å; L123-K127 VanDerWaalsContact O-CG 3.31Å; L123-K127 WeakPolarHBondContact O-CG 3.28Å; L123-K127 PolarHBondContact O-N 3.42Å; L123-Y140 HydrophobicContact CD1-CD1 4Å; L123-Y140 HydrophobicContact CD1-CD2 4.17Å; L123-Y140 HydrophobicContact CD1-CG 3.72Å; L123-Y140 HydrophobicContact CD2-CD2 3.72Å; L123-Y140 HydrophobicContact CD2-CE2 4.23Å; L123-Y140 HydrophobicContact CD2-CG 4.13Å; L123-E142 HydrophobicContact CD2-CG 3.83Å; L123-I147 HydrophobicContact CB-CD1 3.9Å; L123-I147 HydrophobicContact CD1-CD1 4.13Å; L123-I147 HydrophobicContact CD1-CG1 4.18Å
124	Q	98.4	Very high	97.3	Very high	80 Å²	80	45.9 Å²	45.9	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-64.8	-42.5	178.7	-177.2	56.3	34.1	0	0	111.5	L120 H121 K127 S128	L120-Q124 WeakPolarHBondContact O-CB 3.44Å; L120-Q124 PolarHBondContact O-N 3.25Å; H121-Q124 PolarHBondContact O-N 3.17Å; H121-Q124 VanDerWaalsContact O-N 3.1Å; Q124-K127 PolarHBondContact O-N 2.71Å; Q124-S128 PolarHBondContact NE2-OG 2.97Å; Q124-S128 VanDerWaalsContact NE2-OG 3.11Å; Q124-S128 WeakPolarHBondContact O-CB 3.43Å; Q124-S128 PolarHBondContact O-N 2.93Å; Q124-S128 PolarHBondContact O-OG 3.43Å
125	M	98.6	Very high	97.4	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-46.3	173.4	-66.5	-56.6	95.1	0	0	110.8	H121 G122 K127 S128 L129 M197 L228 L231	H121-M125 WeakPolarHBondContact NE2-CG 3.26Å; H121-M125 WeakPolarHBondContact O-CG 3.39Å; H121-M125 PolarHBondContact O-N 2.91Å; G122-M125 PolarHBondContact O-N 3.34Å; M125-K127 VanDerWaalsContact C-N 3.34Å; M125-K127 PolarHBondContact O-N 2.95Å; M125-S128 PolarHBondContact O-N 3.35Å; M125-L129 HydrophobicContact CB-CD1 4.15Å; M125-L129 WeakPolarHBondContact O-CB 3.47Å; M125-L129 WeakPolarHBondContact O-CG 3.47Å; M125-L129 PolarHBondContact O-N 3.27Å; M125-L129 HydrophobicContact SD-CD1 4.46Å; M125-M197 HydrophobicContact CE-CG 4.41Å; M125-L228 HydrophobicContact CB-CB 3.9Å; M125-L228 HydrophobicContact CB-CD1 4.24Å; M125-L231 HydrophobicContact CB-CD1 4.37Å; M125-L231 HydrophobicContact CG-CB 4.18Å; M125-L231 HydrophobicContact CG-CD1 4.24Å; M125-L231 HydrophobicContact SD-CB 4.35Å
126	L	98	Very high	97.4	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.052	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-41	179.8	-172.3	62.3	0	0	0	112.3	G122 L123 Q130 V134 V135 L137 I147 T149 L228	G122-L126 VanDerWaalsContact O-CB 3.26Å; G122-L126 WeakPolarHBondContact O-CB 3.21Å; G122-L126 PolarHBondContact O-N 3Å; L123-L126 PolarHBondContact O-N 2.96Å; L126-Q130 WeakPolarHBondContact O-CG 3.29Å; L126-Q130 PolarHBondContact O-NE2 2.97Å; L126-V134 HydrophobicContact CD1-CG1 3.66Å; L126-V135 HydrophobicContact CD1-CG1 3.86Å; L126-L137 HydrophobicContact CD2-CB 4.27Å; L126-L137 HydrophobicContact CD2-CD1 3.77Å; L126-L137 HydrophobicContact CD2-CG 4.41Å; L126-L137 HydrophobicContact CG-CB 4.06Å; L126-L137 HydrophobicContact CG-CD1 4.34Å; L126-L137 HydrophobicContact CG-CD2 4.32Å; L126-L137 HydrophobicContact CG-CG 4.47Å; L126-I147 HydrophobicContact CD2-CG2 3.56Å; L126-T149 HydrophobicContact CD2-CG2 3.72Å; L126-L228 HydrophobicContact CB-CD1 4.2Å; L126-L228 HydrophobicContact CD1-CD1 4.02Å
127	K	97.8	Very high	97.4	Very high	25 Å²	25	33 Å²	33	11%	0.109	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-44.8	174.5	-72.4	162.8	65.6	-171.3	0	112	Y57 W71 L123 Q124 M125 L137 Y140	Y57-K127 WeakPolarHBondContact CE2-O 3.39Å; W71-K127 HydrophobicContact CH2-CB 3.99Å; W71-K127 HydrophobicContact CH2-CG 4Å; W71-K127 HydrophobicContact CZ3-CB 4.32Å; W71-K127 HydrophobicContact CZ3-CG 3.93Å; L123-K127 HydrophobicContact CD1-CD 3.97Å; L123-K127 HydrophobicContact CD1-CG 4.16Å; L123-K127 HydrophobicContact CG-CD 3.99Å; L123-K127 VanDerWaalsContact O-CG 3.31Å; L123-K127 WeakPolarHBondContact O-CG 3.28Å; L123-K127 PolarHBondContact O-N 3.42Å; Q124-K127 PolarHBondContact O-N 2.71Å; M125-K127 VanDerWaalsContact C-N 3.34Å; M125-K127 PolarHBondContact O-N 2.95Å; K127-L137 HydrophobicContact CG-CD2 3.75Å; K127-Y140 HydrophobicContact CD-CE1 4.01Å; K127-Y140 HydrophobicContact CG-CE1 4.32Å
128	S	97.4	Very high	97.4	Very high	24 Å²	24	26.8 Å²	26.8	17%	0.168	15%	0.152	C	C	.	.	H	α-helix	trans	-81.4	-22.4	-172.8	-68.1	0	0	0	0	114.6	Q124 M125 M197	Q124-S128 PolarHBondContact NE2-OG 2.97Å; Q124-S128 VanDerWaalsContact NE2-OG 3.11Å; Q124-S128 WeakPolarHBondContact O-CB 3.43Å; Q124-S128 PolarHBondContact O-N 2.93Å; Q124-S128 PolarHBondContact O-OG 3.43Å; M125-S128 PolarHBondContact O-N 3.35Å; S128-M197 VanDerWaalsContact CB-CG 3.4Å; S128-M197 VanDerWaalsContact CB-SD 3.58Å; S128-M197 PolarHBondContact OG-SD 3.09Å; S128-M197 VanDerWaalsContact OG-SD 3.33Å
129	L	96.9	Very high	97.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	15.8	-172.5	-59.3	-178.9	0	0	0	113.8	M125 G131 V134 Y191 L192 P196 M197 L231	M125-L129 HydrophobicContact CB-CD1 4.15Å; M125-L129 WeakPolarHBondContact O-CB 3.47Å; M125-L129 WeakPolarHBondContact O-CG 3.47Å; M125-L129 PolarHBondContact O-N 3.27Å; M125-L129 HydrophobicContact SD-CD1 4.46Å; L129-G131 PolarHBondContact O-N 2.98Å; L129-V134 HydrophobicContact CB-CG2 3.99Å; L129-V134 WeakPolarHBondContact O-CB 3.36Å; L129-V134 VanDerWaalsContact O-CG2 3.32Å; L129-V134 WeakPolarHBondContact O-CG2 3.36Å; L129-Y191 VanDerWaalsContact CA-OH 3.3Å; L129-Y191 WeakPolarHBondContact CA-OH 3.32Å; L129-Y191 HydrophobicContact CB-CE1 4.09Å; L129-Y191 HydrophobicContact CD2-CE1 4.23Å; L129-Y191 PolarHBondContact O-OH 3.3Å; L129-Y191 VanDerWaalsContact O-OH 3.1Å; L129-L192 HydrophobicContact CD1-CD2 3.98Å; L129-P196 HydrophobicContact CD2-CG 4.13Å; L129-M197 HydrophobicContact CD2-CG 4.47Å; L129-L231 HydrophobicContact CD1-CD1 4.01Å
130	Q	96.9	Very high	97.5	Very high	54 Å²	54	26.2 Å²	26.2	25%	0.252	15%	0.145	S	C	.	.			trans	-58.3	128.9	177.8	-71.7	-60.1	-73.7	0	0	111.8	W71 L126 V135 L137	W71-Q130 HydrophobicContact CZ2-CG 4.01Å; L126-Q130 WeakPolarHBondContact O-CG 3.29Å; L126-Q130 PolarHBondContact O-NE2 2.97Å; Q130-V135 PolarHBondContact NE2-O 3.21Å; Q130-L137 HydrophobicContact CG-CB 4.48Å
131	G	92.8	Very high	97.5	Very high	26 Å²	26	23.5 Å²	23.5	27%	0.268	13%	0.131	S	C	.	.	S	Bend	trans	165.7	-165.6	-177.9	0	0	0	0	0	111.9	L129 H133	L129-G131 PolarHBondContact O-N 2.98Å; G131-H133 PolarHBondContact O-N 2.8Å; G131-H133 VanDerWaalsContact O-N 3.11Å
132	A	93.2	Very high	97.5	Very high	60 Å²	60	25.3 Å²	25.3	50%	0.496	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.9	-175.3	0	0	0	0	0	115.8	L224	A132-L224 VanDerWaalsContact O-CD2 3.24Å; A132-L224 WeakPolarHBondContact O-CD2 3.31Å
133	H	96.7	Very high	97.4	Very high	55 Å²	55	31.5 Å²	31.5	26%	0.255	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-6.8	-172.5	-65.4	-53.7	0	0	0	114.1	G131 I188 Y191 A225	G131-H133 PolarHBondContact O-N 2.8Å; G131-H133 VanDerWaalsContact O-N 3.11Å; H133-I188 HydrophobicContact CB-CG1 3.96Å; H133-Y191 HydrophobicContact CB-CD1 3.74Å; H133-Y191 HydrophobicContact CB-CE1 4.31Å; H133-Y191 HydrophobicContact CB-CG 4.09Å; H133-Y191 AromaticContact CD2-CD2 3.86Å; H133-Y191 AromaticContact CD2-CG 3.56Å; H133-A225 PolarHBondContact O-N 3.44Å
134	V	97.6	Very high	97.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-129.4	144.9	-172	174.6	0	0	0	0	109.5	L126 L129 T136 Y191 A225 L228	L126-V134 HydrophobicContact CD1-CG1 3.66Å; L129-V134 HydrophobicContact CB-CG2 3.99Å; L129-V134 WeakPolarHBondContact O-CB 3.36Å; L129-V134 VanDerWaalsContact O-CG2 3.32Å; L129-V134 WeakPolarHBondContact O-CG2 3.36Å; V134-T136 PolarHBondContact O-N 3.01Å; V134-Y191 HydrophobicContact CG2-CE1 4.05Å; V134-A225 WeakPolarHBondContact CA-O 3.1Å; V134-A225 HydrophobicContact CG2-CB 4.44Å; V134-L228 HydrophobicContact CG1-CD1 3.72Å
135	V	97.8	Very high	97.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-54.8	136.6	175.1	69.2	0	0	0	0	111.8	L126 Q130 L137 T149 L216 A225 N226	L126-V135 HydrophobicContact CD1-CG1 3.86Å; Q130-V135 PolarHBondContact NE2-O 3.21Å; V135-L137 PolarHBondContact O-N 3Å; V135-T149 HydrophobicContact CG1-CG2 4.02Å; V135-L216 HydrophobicContact CG2-CD1 4.23Å; V135-A225 PolarHBondContact N-O 3.45Å; V135-N226 HydrophobicContact CG1-CB 4.44Å
136	T	97.5	Very high	97.4	Very high	30 Å²	30	32.1 Å²	32.1	18%	0.184	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-63.9	123.1	-178.6	-44.8	0	0	0	0	110.9	F60 I62 V134 L138 T149 E150	F60-T136 HydrophobicContact CB-CG2 3.87Å; I62-T136 HydrophobicContact CG2-CG2 3.81Å; V134-T136 PolarHBondContact O-N 3.01Å; T136-L138 HydrophobicContact CG2-CD1 4.22Å; T136-L138 WeakPolarHBondContact O-CD1 3.29Å; T136-T149 CarbonylContact O-C 3.54Å; T136-T149 VanDerWaalsContact O-CA 3.22Å; T136-T149 WeakPolarHBondContact O-CA 3.18Å; T136-T149 WeakPolarHBondContact O-CB 3.35Å; T136-E150 PolarHBondContact O-N 2.85Å; T136-E150 PolarHBondContact OG1-OE2 2.87Å
137	L	98.6	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.4	170.6	176.3	60.6	0	0	0	109.7	F60 W71 L126 K127 Q130 V135 G139 Y140 I147	F60-L137 VanDerWaalsContact CB-O 3.28Å; F60-L137 WeakPolarHBondContact CB-O 3.22Å; W71-L137 HydrophobicContact CD2-CD2 4.06Å; W71-L137 HydrophobicContact CD2-CG 4.39Å; W71-L137 HydrophobicContact CE3-CD2 4.32Å; W71-L137 HydrophobicContact CH2-CD2 4.11Å; W71-L137 HydrophobicContact CZ2-CD2 3.82Å; W71-L137 HydrophobicContact CZ2-CG 4.5Å; W71-L137 HydrophobicContact CZ3-CD2 4.34Å; W71-L137 PolarHBondContact NE1-O 3.42Å; W71-L137 VanDerWaalsContact NE1-O 3.08Å; L126-L137 HydrophobicContact CD2-CB 4.27Å; L126-L137 HydrophobicContact CD2-CD1 3.77Å; L126-L137 HydrophobicContact CD2-CG 4.41Å; L126-L137 HydrophobicContact CG-CB 4.06Å; L126-L137 HydrophobicContact CG-CD1 4.34Å; L126-L137 HydrophobicContact CG-CD2 4.32Å; L126-L137 HydrophobicContact CG-CG 4.47Å; K127-L137 HydrophobicContact CG-CD2 3.75Å; Q130-L137 HydrophobicContact CG-CB 4.48Å; V135-L137 PolarHBondContact O-N 3Å; L137-G139 WeakPolarHBondContact CD1-O 3.29Å; L137-Y140 HydrophobicContact CD2-CD1 4.37Å; L137-I147 HydrophobicContact CD1-CG2 3.74Å
138	L	98.5	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-30.5	176.3	-78.7	62.9	0	0	0	112.1	F60 I62 W71 L72 W100 V105 T136 L148 E150	F60-L138 HydrophobicContact CD1-CB 4.42Å; F60-L138 HydrophobicContact CD2-CB 4.45Å; F60-L138 HydrophobicContact CD2-CD1 4.29Å; F60-L138 HydrophobicContact CD2-CG 3.72Å; F60-L138 HydrophobicContact CE1-CB 4.21Å; F60-L138 HydrophobicContact CE1-CG 4.41Å; F60-L138 VanDerWaalsContact CE1-O 3.26Å; F60-L138 WeakPolarHBondContact CE1-O 3.46Å; F60-L138 HydrophobicContact CE2-CB 4.29Å; F60-L138 HydrophobicContact CE2-CD2 4.15Å; F60-L138 HydrophobicContact CE2-CG 3.63Å; F60-L138 HydrophobicContact CG-CG 4.17Å; F60-L138 HydrophobicContact CZ-CB 4.14Å; F60-L138 HydrophobicContact CZ-CD2 4.48Å; F60-L138 HydrophobicContact CZ-CG 3.96Å; I62-L138 HydrophobicContact CD1-CD2 3.84Å; I62-L138 HydrophobicContact CG2-CD1 3.95Å; W71-L138 CarbonylContact C-O 3.48Å; W71-L138 WeakPolarHBondContact CA-O 3.18Å; L72-L138 PolarHBondContact N-O 3.42Å; W100-L138 HydrophobicContact CE3-CD2 4.24Å; V105-L138 HydrophobicContact CB-CD2 4.3Å; V105-L138 HydrophobicContact CG1-CD2 3.39Å; T136-L138 HydrophobicContact CG2-CD1 4.22Å; T136-L138 WeakPolarHBondContact O-CD1 3.29Å; L138-L148 HydrophobicContact CB-CB 4.32Å; L138-L148 HydrophobicContact CB-CD2 3.93Å; L138-L148 HydrophobicContact CB-CG 4.18Å; L138-L148 HydrophobicContact CD2-CD2 4.05Å; L138-L148 HydrophobicContact CD2-CG 4.4Å; L138-L148 PolarHBondContact N-O 3.29Å; L138-E150 HydrophobicContact CD1-CB 4.21Å
139	G	98.7	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	171.1	-177.4	0	0	0	0	0	112.2	L137 L148	L137-G139 WeakPolarHBondContact CD1-O 3.29Å; G139-L148 PolarHBondContact N-O 2.81Å; G139-L148 PolarHBondContact O-N 3.25Å
140	Y	98.7	Very high	97.5	Very high	61 Å²	61	31.8 Å²	31.8	24%	0.239	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	159.2	-179.9	63.9	-88.6	0	0	0	110.6	W71 L123 K127 L137 E142 T146	W71-Y140 AromaticContact CE3-CE1 3.96Å; W71-Y140 HydrophobicContact CE3-CE1 3.96Å; W71-Y140 HydrophobicContact CZ3-CE1 4.36Å; L123-Y140 HydrophobicContact CD1-CD1 4Å; L123-Y140 HydrophobicContact CD1-CD2 4.17Å; L123-Y140 HydrophobicContact CD1-CG 3.72Å; L123-Y140 HydrophobicContact CD2-CD2 3.72Å; L123-Y140 HydrophobicContact CD2-CE2 4.23Å; L123-Y140 HydrophobicContact CD2-CG 4.13Å; K127-Y140 HydrophobicContact CD-CE1 4.01Å; K127-Y140 HydrophobicContact CG-CE1 4.32Å; L137-Y140 HydrophobicContact CD2-CD1 4.37Å; Y140-E142 HydrophobicContact CD2-CG 4.03Å; Y140-E142 HydrophobicContact CE2-CG 4.11Å; Y140-T146 CarbonylContact C-O 3.59Å; Y140-T146 VanDerWaalsContact CA-O 3.3Å; Y140-T146 WeakPolarHBondContact CA-O 3.43Å; Y140-T146 WeakPolarHBondContact CB-O 3.15Å
141	C	98.5	Very high	97.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	107.5	171	-170.9	0	0	0	0	109.7	C74 L77 D144 N145 T146	C74-C141 HydrophobicContact CB-CB 3.87Å; C74-C141 WeakPolarHBondContact CB-SG 3.23Å; C74-C141 WeakPolarHBondContact SG-CA 3.49Å; C74-C141 WeakPolarHBondContact SG-CB 3.43Å; C74-C141 CovalentContact SG-SG 2.04Å; C74-C141 PolarHBondContact SG-SG 3.33Å; L77-C141 HydrophobicContact CD2-CB 4.17Å; C141-D144 HydrophobicContact CB-CB 4.16Å; C141-D144 PolarHBondContact O-N 3.37Å; C141-N145 WeakPolarHBondContact O-CA 3.44Å; C141-N145 PolarHBondContact O-N 3.21Å; C141-T146 PolarHBondContact N-O 3.07Å; C141-T146 PolarHBondContact O-N 3.05Å
142	E	97.2	Very high	97.8	Very high	92 Å²	92	31.7 Å²	31.7	43%	0.43	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-35.9	-178.2	-68.9	-178.4	-150.5	0	0	112	L120 L123 Y140 D144 N145	L120-E142 HydrophobicContact CD2-CG 4.45Å; L123-E142 HydrophobicContact CD2-CG 3.83Å; Y140-E142 HydrophobicContact CD2-CG 4.03Å; Y140-E142 HydrophobicContact CE2-CG 4.11Å; E142-D144 VanDerWaalsContact C-N 3.29Å; E142-D144 PolarHBondContact O-N 2.9Å; E142-N145 PolarHBondContact O-N 2.81Å; E142-N145 VanDerWaalsContact O-N 3.13Å; E142-N145 PolarHBondContact O-OD1 2.93Å
143	D	97.1	Very high	97.9	Very high	132 Å²	132	32.5 Å²	32.5	71%	0.706	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-40.9	175.9	-66.8	-21.8	0	0	0	111.9
144	D	97.9	Very high	97.9	Very high	67 Å²	67	30.9 Å²	30.9	36%	0.358	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.7	179.9	-62.9	-10.9	0	0	0	112.5	R78 C141 E142 T146	R78-D144 IonicContact CZ-OD1 3.39Å; R78-D144 IonicContact CZ-OD2 3.95Å; R78-D144 IonicContact NE-OD1 3.22Å; R78-D144 IonicContact NE-OD2 2.9Å; R78-D144 PolarHBondContact NE-OD2 3.19Å; R78-D144 VanDerWaalsContact NH2-CG 3.26Å; R78-D144 IonicContact NH2-OD1 3.6Å; R78-D144 PolarHBondContact NH2-OD1 2.65Å; R78-D144 IonicContact NH2-OD2 3.29Å; R78-D144 PolarHBondContact NH2-OD2 3.45Å; C141-D144 HydrophobicContact CB-CB 4.16Å; C141-D144 PolarHBondContact O-N 3.37Å; E142-D144 VanDerWaalsContact C-N 3.29Å; E142-D144 PolarHBondContact O-N 2.9Å; D144-T146 HydrophobicContact CB-CG2 3.96Å; D144-T146 WeakPolarHBondContact O-CG2 3.45Å; D144-T146 PolarHBondContact O-N 3.22Å
145	N	98.4	Very high	97.9	Very high	24 Å²	24	31.8 Å²	31.8	13%	0.128	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	54.3	-170.9	-49.2	-88.1	0	0	0	112.1	R109 L110 F119 C141 E142	R109-N145 WeakPolarHBondContact CA-O 3.47Å; L110-N145 HydrophobicContact CB-CB 3.5Å; L110-N145 HydrophobicContact CD2-CB 3.88Å; L110-N145 HydrophobicContact CG-CB 4.35Å; L110-N145 PolarHBondContact N-O 2.94Å; F119-N145 HydrophobicContact CE1-CB 4.09Å; F119-N145 HydrophobicContact CZ-CB 4.22Å; F119-N145 VanDerWaalsContact CZ-O 3.28Å; F119-N145 WeakPolarHBondContact CZ-O 3.48Å; C141-N145 WeakPolarHBondContact O-CA 3.44Å; C141-N145 PolarHBondContact O-N 3.21Å; E142-N145 PolarHBondContact O-N 2.81Å; E142-N145 VanDerWaalsContact O-N 3.13Å; E142-N145 PolarHBondContact O-OD1 2.93Å
146	T	98.6	Very high	97.9	Very high	10 Å²	10	33 Å²	33	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	146	-180	63.1	0	0	0	0	113.3	S108 R109 Y140 C141 D144	S108-T146 CarbonylContact O-C 3.59Å; S108-T146 VanDerWaalsContact O-CA 3.25Å; S108-T146 WeakPolarHBondContact O-CA 3.43Å; R109-T146 HydrophobicContact CB-CG2 4.44Å; R109-T146 HydrophobicContact CG-CG2 3.81Å; Y140-T146 CarbonylContact C-O 3.59Å; Y140-T146 VanDerWaalsContact CA-O 3.3Å; Y140-T146 WeakPolarHBondContact CA-O 3.43Å; Y140-T146 WeakPolarHBondContact CB-O 3.15Å; C141-T146 PolarHBondContact N-O 3.07Å; C141-T146 PolarHBondContact O-N 3.05Å; D144-T146 HydrophobicContact CB-CG2 3.96Å; D144-T146 WeakPolarHBondContact O-CG2 3.45Å; D144-T146 PolarHBondContact O-N 3.22Å
147	I	98.8	Very high	97.9	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.9	176.3	-53.3	177.9	0	0	0	107.5	S108 F119 L123 L126 L137 T149	S108-I147 PolarHBondContact N-O 2.99Å; S108-I147 PolarHBondContact O-N 3.39Å; F119-I147 HydrophobicContact CD2-CD1 4.45Å; F119-I147 HydrophobicContact CE1-CD1 4.42Å; F119-I147 HydrophobicContact CE1-CG1 4.36Å; F119-I147 HydrophobicContact CE2-CD1 3.84Å; F119-I147 HydrophobicContact CE2-CG1 3.9Å; F119-I147 HydrophobicContact CZ-CD1 3.81Å; F119-I147 HydrophobicContact CZ-CG1 3.56Å; L123-I147 HydrophobicContact CB-CD1 3.9Å; L123-I147 HydrophobicContact CD1-CD1 4.13Å; L123-I147 HydrophobicContact CD1-CG1 4.18Å; L126-I147 HydrophobicContact CD2-CG2 3.56Å; L137-I147 HydrophobicContact CD1-CG2 3.74Å; I147-T149 HydrophobicContact CG2-CG2 4.13Å
148	L	98.8	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.5	176.2	-165.1	75.1	0	0	0	110.1	L72 V81 V105 A106 L107 L138 G139	L72-L148 HydrophobicContact CD1-CD2 3.7Å; V81-L148 HydrophobicContact CG1-CD1 3.85Å; V81-L148 HydrophobicContact CG2-CD1 4.29Å; V81-L148 HydrophobicContact CG2-CD2 3.75Å; V105-L148 HydrophobicContact CB-CD1 3.98Å; V105-L148 HydrophobicContact CB-CD2 4.5Å; V105-L148 HydrophobicContact CB-CG 4.19Å; V105-L148 HydrophobicContact CG2-CD1 3.69Å; V105-L148 HydrophobicContact CG2-CD2 4.38Å; V105-L148 HydrophobicContact CG2-CG 4.29Å; A106-L148 WeakPolarHBondContact O-CA 3.3Å; L107-L148 HydrophobicContact CB-CD1 4.02Å; L107-L148 HydrophobicContact CD1-CD1 3.99Å; L138-L148 HydrophobicContact CB-CB 4.32Å; L138-L148 HydrophobicContact CB-CD2 3.93Å; L138-L148 HydrophobicContact CB-CG 4.18Å; L138-L148 HydrophobicContact CD2-CD2 4.05Å; L138-L148 HydrophobicContact CD2-CG 4.4Å; L138-L148 PolarHBondContact N-O 3.29Å; G139-L148 PolarHBondContact N-O 2.81Å; G139-L148 PolarHBondContact O-N 3.25Å
149	T	98.6	Very high	97.7	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	166.5	177.3	56	0	0	0	0	112.1	A106 L126 V135 T136 I147 Y151	A106-T149 PolarHBondContact N-O 3.32Å; A106-T149 PolarHBondContact O-N 2.86Å; L126-T149 HydrophobicContact CD2-CG2 3.72Å; V135-T149 HydrophobicContact CG1-CG2 4.02Å; T136-T149 CarbonylContact O-C 3.54Å; T136-T149 VanDerWaalsContact O-CA 3.22Å; T136-T149 WeakPolarHBondContact O-CA 3.18Å; T136-T149 WeakPolarHBondContact O-CB 3.35Å; I147-T149 HydrophobicContact CG2-CG2 4.13Å; T149-Y151 PolarHBondContact O-N 2.83Å
150	E	97.5	Very high	97.6	Very high	42 Å²	42	37.7 Å²	37.7	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	134.8	172.5	-174.7	169.7	-168.7	0	0	110.6	I62 T136 L138	I62-E150 HydrophobicContact CB-CG 4.4Å; I62-E150 HydrophobicContact CG2-CB 4.01Å; I62-E150 HydrophobicContact CG2-CG 3.98Å; I62-E150 WeakPolarHBondContact CG2-OE2 3.41Å; T136-E150 PolarHBondContact O-N 2.85Å; T136-E150 PolarHBondContact OG1-OE2 2.87Å; L138-E150 HydrophobicContact CD1-CB 4.21Å
151	Y	97.8	Very high	97.5	Very high	64 Å²	64	37.3 Å²	37.3	25%	0.251	20%	0.204	S	C	.	.			trans	-88.3	121	176.2	179.3	-106.1	0	0	0	110.8	L97 K104 A106 T149 P153	L97-Y151 HydrophobicContact CD1-CD1 3.7Å; L97-Y151 HydrophobicContact CD1-CD2 3.84Å; L97-Y151 HydrophobicContact CD1-CE1 3.73Å; L97-Y151 HydrophobicContact CD1-CE2 3.9Å; L97-Y151 HydrophobicContact CD1-CG 3.73Å; K104-Y151 HydrophobicContact CB-CD1 3.77Å; K104-Y151 HydrophobicContact CB-CG 4.29Å; K104-Y151 WeakPolarHBondContact O-CB 3.44Å; A106-Y151 HydrophobicContact CB-CD2 4.4Å; T149-Y151 PolarHBondContact O-N 2.83Å; Y151-P153 HydrophobicContact CE1-CB 4.07Å
152	H	97.1	Very high	97.4	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.069	23%	0.234	C	C	.	.			trans	-99.7	115.3	173.3	-65.4	-79	0	0	0	110.6	L154 G155 L216 L224	H152-L154 VanDerWaalsContact C-N 3.32Å; H152-L154 PolarHBondContact O-N 2.92Å; H152-G155 PolarHBondContact O-N 3.35Å; H152-L216 HydrophobicContact CB-CB 4.42Å; H152-L216 HydrophobicContact CB-CD1 4.27Å; H152-L224 WeakPolarHBondContact NE2-CD1 3.39Å
153	P	96	Very high	97.4	Very high	77 Å²	77	40.1 Å²	40.1	50%	0.5	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.3	-169.9	27.8	-35.9	0	0	0	114.7	Y151 S219	Y151-P153 HydrophobicContact CE1-CB 4.07Å; P153-S219 WeakPolarHBondContact CG-OG 3.39Å
154	L	96.8	Very high	97.4	Very high	21 Å²	21	34 Å²	34	11%	0.11	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.3	173.3	-54.7	-174.9	0	0	0	112.2	H152 T163 Y169 L217 T218 F221	H152-L154 VanDerWaalsContact C-N 3.32Å; H152-L154 PolarHBondContact O-N 2.92Å; L154-T163 HydrophobicContact CD1-CG2 4.33Å; L154-T163 HydrophobicContact CD2-CG2 4.1Å; L154-Y169 HydrophobicContact CD2-CE2 3.95Å; L154-L217 HydrophobicContact CB-CB 4.09Å; L154-L217 HydrophobicContact CB-CD2 4.04Å; L154-L217 HydrophobicContact CB-CG 4.16Å; L154-L217 HydrophobicContact CD1-CD2 3.76Å; L154-L217 HydrophobicContact CD1-CG 3.92Å; L154-T218 WeakPolarHBondContact CD1-O 3.36Å; L154-F221 HydrophobicContact CD1-CD1 4.5Å; L154-F221 HydrophobicContact CD1-CE1 3.98Å; L154-F221 HydrophobicContact CD1-CZ 4.06Å
155	G	97	Very high	97.3	Very high	20 Å²	20	36 Å²	36	21%	0.206	20%	0.196	C	C	.	.			trans	68.5	-148.9	170.7	0	0	0	0	0	113.3	H152 L216 L217	H152-G155 PolarHBondContact O-N 3.35Å; G155-L216 WeakPolarHBondContact O-CA 3.48Å; G155-L216 WeakPolarHBondContact O-CD2 3.41Å; G155-L217 PolarHBondContact O-N 3.46Å
156	S	97.3	Very high	97.2	Very high	28 Å²	28	38.4 Å²	38.4	20%	0.196	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-69.8	146.7	-176.1	171.2	0	0	0	0	112.4	S158 N159 L212 S213 Y215	S156-S158 PolarHBondContact O-N 2.65Å; S156-S158 VanDerWaalsContact O-N 3.11Å; S156-S158 PolarHBondContact OG-N 2.73Å; S156-S158 VanDerWaalsContact OG-N 3.09Å; S156-S158 PolarHBondContact OG-OG 3.05Å; S156-N159 PolarHBondContact O-N 3.01Å; S156-N159 VanDerWaalsContact O-N 3.09Å; S156-L212 PolarHBondContact OG-O 2.87Å; S156-S213 WeakPolarHBondContact OG-CA 3.45Å; S156-Y215 WeakPolarHBondContact CA-O 3.44Å
157	L	97.8	Very high	97.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.4	-18.6	171.3	-161.4	66.1	0	0	0	113.4	N159 L160 L212 Y215 I223 L292	L157-N159 PolarHBondContact O-N 3.31Å; L157-N159 VanDerWaalsContact O-N 3.16Å; L157-L160 HydrophobicContact CD1-CB 4.24Å; L157-L160 HydrophobicContact CD1-CD1 4.23Å; L157-L160 HydrophobicContact CD1-CD2 4.05Å; L157-L160 HydrophobicContact CD1-CG 4.42Å; L157-L160 WeakPolarHBondContact O-CB 3.45Å; L157-L160 PolarHBondContact O-N 3.34Å; L157-L212 HydrophobicContact CB-CB 4.39Å; L157-L212 HydrophobicContact CB-CD2 4.4Å; L157-L212 WeakPolarHBondContact CB-O 3.49Å; L157-L212 HydrophobicContact CD2-CD2 3.62Å; L157-L212 HydrophobicContact CG-CD2 3.94Å; L157-Y215 PolarHBondContact N-O 2.89Å; L157-I223 HydrophobicContact CD1-CD1 3.99Å; L157-I223 HydrophobicContact CD1-CG1 4.22Å; L157-I223 HydrophobicContact CD2-CD1 3.87Å; L157-I223 HydrophobicContact CD2-CG2 4.47Å; L157-L292 HydrophobicContact CD1-CD2 3.91Å; L157-L292 HydrophobicContact CD2-CD2 3.91Å; L157-L292 HydrophobicContact CG-CD2 4.11Å
158	S	96.3	Very high	97	Very high	47 Å²	47	49 Å²	49	33%	0.329	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-57.8	-25.8	172.7	-55	0	0	0	0	113.1	S156 S213	S156-S158 PolarHBondContact O-N 2.65Å; S156-S158 VanDerWaalsContact O-N 3.11Å; S156-S158 PolarHBondContact OG-N 2.73Å; S156-S158 VanDerWaalsContact OG-N 3.09Å; S156-S158 PolarHBondContact OG-OG 3.05Å; S158-S213 PolarHBondContact OG-N 3.34Å
159	N	96	Very high	96.8	Very high	80 Å²	80	51.2 Å²	51.2	43%	0.428	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-98.9	16.3	179.3	-58.4	-24.1	0	0	0	112.7	S156 L157 E161 E162 T163	S156-N159 PolarHBondContact O-N 3.01Å; S156-N159 VanDerWaalsContact O-N 3.09Å; L157-N159 PolarHBondContact O-N 3.31Å; L157-N159 VanDerWaalsContact O-N 3.16Å; N159-E161 PolarHBondContact O-N 3.03Å; N159-E162 PolarHBondContact O-N 3.39Å; N159-T163 WeakPolarHBondContact O-CB 3.44Å; N159-T163 PolarHBondContact O-N 2.95Å; N159-T163 PolarHBondContact O-OG1 3.02Å
160	L	97.8	Very high	96.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-58.3	-49.4	-173.6	178.8	66.9	0	0	0	112.4	L157 T163 L164 L181 L217 F291 L292	L157-L160 HydrophobicContact CD1-CB 4.24Å; L157-L160 HydrophobicContact CD1-CD1 4.23Å; L157-L160 HydrophobicContact CD1-CD2 4.05Å; L157-L160 HydrophobicContact CD1-CG 4.42Å; L157-L160 WeakPolarHBondContact O-CB 3.45Å; L157-L160 PolarHBondContact O-N 3.34Å; L160-T163 WeakPolarHBondContact O-CB 3.19Å; L160-T163 PolarHBondContact O-N 2.88Å; L160-L164 HydrophobicContact CD1-CD1 3.69Å; L160-L164 HydrophobicContact CD1-CG 3.88Å; L160-L164 HydrophobicContact CD2-CD1 4.49Å; L160-L164 HydrophobicContact CG-CD1 3.92Å; L160-L164 HydrophobicContact CG-CG 4.34Å; L160-L164 WeakPolarHBondContact O-CB 3.34Å; L160-L164 PolarHBondContact O-N 3.38Å; L160-L181 HydrophobicContact CD1-CD1 3.84Å; L160-L181 HydrophobicContact CD2-CD1 4.08Å; L160-L217 HydrophobicContact CD1-CD1 4.22Å; L160-L217 HydrophobicContact CD1-CD2 3.74Å; L160-F291 HydrophobicContact CB-CE1 4.14Å; L160-F291 HydrophobicContact CB-CZ 4.3Å; L160-F291 HydrophobicContact CD2-CE1 4.07Å; L160-L292 HydrophobicContact CD2-CD2 3.45Å; L160-L292 VanDerWaalsContact CD2-CD2 3.45Å
161	E	96.4	Very high	96.5	Very high	52 Å²	52	61.5 Å²	61.5	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-45.5	-178.7	-72.9	-55.4	141.5	0	0	112	N159 T163 L164 N165 R178	N159-E161 PolarHBondContact O-N 3.03Å; E161-T163 VanDerWaalsContact C-N 3.26Å; E161-T163 PolarHBondContact O-N 2.9Å; E161-L164 PolarHBondContact O-N 2.93Å; E161-N165 VanDerWaalsContact O-CB 3.26Å; E161-N165 WeakPolarHBondContact O-CB 3.45Å; E161-N165 PolarHBondContact O-N 3.23Å; E161-N165 PolarHBondContact O-ND2 3.2Å; E161-R178 IonicContact OE1-CZ 3.71Å; E161-R178 IonicContact OE1-NH1 3.94Å; E161-R178 PolarHBondContact OE1-NH1 2.83Å; E161-R178 IonicContact OE1-NH2 2.63Å; E161-R178 PolarHBondContact OE1-NH2 2.84Å; E161-R178 IonicContact OE2-CZ 2.66Å; E161-R178 IonicContact OE2-NH1 2.92Å; E161-R178 IonicContact OE2-NH2 3.31Å; E161-R178 PolarHBondContact OE2-NH2 3.36Å
162	E	96.5	Very high	96.4	Very high	138 Å²	138	59.4 Å²	59.4	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-57.8	-44.4	175	-175.1	-175.4	170.6	0	0	110.6	N159 N165	N159-E162 PolarHBondContact O-N 3.39Å; E162-N165 PolarHBondContact O-N 3.23Å
163	T	97.4	Very high	96.3	Very high	15 Å²	15	59.9 Å²	59.9	9%	0.092	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-53.5	179.3	-59.3	0	0	0	0	111.2	L154 N159 L160 E161 N165 L166 Y169 L217	L154-T163 HydrophobicContact CD1-CG2 4.33Å; L154-T163 HydrophobicContact CD2-CG2 4.1Å; N159-T163 WeakPolarHBondContact O-CB 3.44Å; N159-T163 PolarHBondContact O-N 2.95Å; N159-T163 PolarHBondContact O-OG1 3.02Å; L160-T163 WeakPolarHBondContact O-CB 3.19Å; L160-T163 PolarHBondContact O-N 2.88Å; E161-T163 VanDerWaalsContact C-N 3.26Å; E161-T163 PolarHBondContact O-N 2.9Å; T163-N165 PolarHBondContact O-N 3.3Å; T163-L166 WeakPolarHBondContact O-CB 3.48Å; T163-L166 WeakPolarHBondContact O-CG 3.49Å; T163-L166 PolarHBondContact O-N 2.92Å; T163-L166 VanDerWaalsContact O-N 3.11Å; T163-Y169 HydrophobicContact CG2-CD2 3.85Å; T163-Y169 HydrophobicContact CG2-CE2 3.91Å; T163-Y169 WeakPolarHBondContact O-CD2 3.42Å; T163-L217 HydrophobicContact CG2-CD2 4.12Å
164	L	97	Very high	96.4	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-69	-20.2	-176.7	-71.4	-178.4	0	0	0	113.5	L160 E161 L166 V172 N173 R178 L181 F221	L160-L164 HydrophobicContact CD1-CD1 3.69Å; L160-L164 HydrophobicContact CD1-CG 3.88Å; L160-L164 HydrophobicContact CD2-CD1 4.49Å; L160-L164 HydrophobicContact CG-CD1 3.92Å; L160-L164 HydrophobicContact CG-CG 4.34Å; L160-L164 WeakPolarHBondContact O-CB 3.34Å; L160-L164 PolarHBondContact O-N 3.38Å; E161-L164 PolarHBondContact O-N 2.93Å; L164-L166 VanDerWaalsContact C-N 3.31Å; L164-V172 HydrophobicContact CD2-CG2 4.04Å; L164-N173 HydrophobicContact CB-CB 4.07Å; L164-N173 HydrophobicContact CD2-CB 4.47Å; L164-N173 WeakPolarHBondContact O-CB 3.22Å; L164-N173 PolarHBondContact O-ND2 3.34Å; L164-R178 HydrophobicContact CD1-CG 4.3Å; L164-L181 HydrophobicContact CD1-CD1 4.48Å; L164-F221 HydrophobicContact CD2-CD1 3.89Å; L164-F221 HydrophobicContact CD2-CE1 3.72Å
165	N	95.5	Very high	96.3	Very high	109 Å²	109	58.2 Å²	58.2	58%	0.583	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.7	173.9	-71.4	-29.3	0	0	0	113.7	E161 E162 T163 N173	E161-N165 VanDerWaalsContact O-CB 3.26Å; E161-N165 WeakPolarHBondContact O-CB 3.45Å; E161-N165 PolarHBondContact O-N 3.23Å; E161-N165 PolarHBondContact O-ND2 3.2Å; E162-N165 PolarHBondContact O-N 3.23Å; T163-N165 PolarHBondContact O-N 3.3Å; N165-N173 PolarHBondContact OD1-ND2 3.16Å
166	L	96.6	Very high	96.3	Very high	75 Å²	75	60.1 Å²	60.1	39%	0.393	31%	0.314	S	S	.	.	S	Bend	trans	-66.8	134.6	171.5	-61.8	176.3	0	0	0	110.4	T163 L164 K168 Y169 Q170	T163-L166 WeakPolarHBondContact O-CB 3.48Å; T163-L166 WeakPolarHBondContact O-CG 3.49Å; T163-L166 PolarHBondContact O-N 2.92Å; T163-L166 VanDerWaalsContact O-N 3.11Å; L164-L166 VanDerWaalsContact C-N 3.31Å; L166-K168 HydrophobicContact CB-CG 4.08Å; L166-K168 PolarHBondContact O-N 3.35Å; L166-K168 VanDerWaalsContact O-N 3.09Å; L166-Y169 HydrophobicContact CB-CD2 4.13Å; L166-Y169 HydrophobicContact CD1-CD2 4.19Å; L166-Y169 HydrophobicContact CD1-CE2 4.15Å; L166-Y169 PolarHBondContact O-N 2.91Å; L166-Q170 PolarHBondContact O-N 3.06Å
167	S	96.1	Very high	96.3	Very high	108 Å²	108	62.7 Å²	62.7	76%	0.755	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-52.3	-37.6	-178.4	56.9	0	0	0	0	113.7	Y169 Q170	S167-Y169 PolarHBondContact O-N 3.45Å; S167-Q170 WeakPolarHBondContact O-CB 3.14Å; S167-Q170 PolarHBondContact O-N 3.15Å
168	K	96.4	Very high	96.3	Very high	128 Å²	128	62.7 Å²	62.7	56%	0.557	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-64.6	-16	176.8	59.4	165.8	172.5	164	0	114.9	L166	L166-K168 HydrophobicContact CB-CG 4.08Å; L166-K168 PolarHBondContact O-N 3.35Å; L166-K168 VanDerWaalsContact O-N 3.09Å
169	Y	96.1	Very high	96.4	Very high	47 Å²	47	60.5 Å²	60.5	18%	0.184	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-117.5	9.9	-178.5	-58.1	-41.2	0	0	0	112.7	L154 T163 L166 S167 N171 V172 N173 F221	L154-Y169 HydrophobicContact CD2-CE2 3.95Å; T163-Y169 HydrophobicContact CG2-CD2 3.85Å; T163-Y169 HydrophobicContact CG2-CE2 3.91Å; T163-Y169 WeakPolarHBondContact O-CD2 3.42Å; L166-Y169 HydrophobicContact CB-CD2 4.13Å; L166-Y169 HydrophobicContact CD1-CD2 4.19Å; L166-Y169 HydrophobicContact CD1-CE2 4.15Å; L166-Y169 PolarHBondContact O-N 2.91Å; S167-Y169 PolarHBondContact O-N 3.45Å; Y169-N171 PolarHBondContact O-N 3.03Å; Y169-V172 WeakPolarHBondContact O-CG2 3.44Å; Y169-V172 PolarHBondContact O-N 3.23Å; Y169-N173 PolarHBondContact O-N 3.44Å; Y169-F221 HydrophobicContact CD1-CE2 4.08Å; Y169-F221 AromaticContact CD1-CZ 3.46Å; Y169-F221 HydrophobicContact CD1-CZ 3.46Å; Y169-F221 VanDerWaalsContact CD1-CZ 3.46Å; Y169-F221 HydrophobicContact CD2-CZ 4.17Å; Y169-F221 HydrophobicContact CE1-CE2 4.29Å; Y169-F221 AromaticContact CE1-CZ 3.79Å; Y169-F221 HydrophobicContact CE1-CZ 3.79Å; Y169-F221 HydrophobicContact CE2-CZ 4.46Å; Y169-F221 HydrophobicContact CG-CE1 4.32Å; Y169-F221 AromaticContact CG-CZ 3.68Å; Y169-F221 HydrophobicContact CG-CZ 3.68Å
170	Q	93.7	Very high	96.5	Very high	145 Å²	145	60 Å²	60	68%	0.678	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.9	178.4	-171.3	177.9	19.4	0	0	112.5	L166 S167 V172 N173	L166-Q170 PolarHBondContact O-N 3.06Å; S167-Q170 WeakPolarHBondContact O-CB 3.14Å; S167-Q170 PolarHBondContact O-N 3.15Å; Q170-V172 VanDerWaalsContact C-N 3.25Å; Q170-V172 PolarHBondContact O-N 3.04Å; Q170-N173 PolarHBondContact O-N 3.23Å
171	N	94.5	Very high	96.5	Very high	119 Å²	119	60.1 Å²	60.1	64%	0.636	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.4	179.2	66.6	-49.5	0	0	0	114.1	Y169	Y169-N171 PolarHBondContact O-N 3.03Å
172	V	95.3	Very high	96.6	Very high	19 Å²	19	57.6 Å²	57.6	12%	0.115	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-6.5	176	-62.1	0	0	0	0	112.4	L164 Y169 Q170 T174 H177 F221	L164-V172 HydrophobicContact CD2-CG2 4.04Å; Y169-V172 WeakPolarHBondContact O-CG2 3.44Å; Y169-V172 PolarHBondContact O-N 3.23Å; Q170-V172 VanDerWaalsContact C-N 3.25Å; Q170-V172 PolarHBondContact O-N 3.04Å; V172-T174 PolarHBondContact O-N 2.97Å; V172-H177 WeakPolarHBondContact O-CB 3.4Å; V172-F221 HydrophobicContact CB-CD2 4.31Å; V172-F221 HydrophobicContact CB-CE2 4.44Å; V172-F221 HydrophobicContact CB-CG 4.45Å; V172-F221 HydrophobicContact CG1-CD2 4.17Å; V172-F221 HydrophobicContact CG1-CE2 4.29Å; V172-F221 HydrophobicContact CG2-CD1 3.99Å; V172-F221 HydrophobicContact CG2-CD2 3.98Å; V172-F221 HydrophobicContact CG2-CE1 3.7Å; V172-F221 HydrophobicContact CG2-CE2 3.7Å; V172-F221 HydrophobicContact CG2-CG 4.13Å; V172-F221 HydrophobicContact CG2-CZ 3.57Å
173	N	97	Very high	96.8	Very high	26 Å²	26	51.4 Å²	51.4	14%	0.139	26%	0.263	C	S	.	.			trans	-83.3	67.2	174.8	-169.3	5.9	0	0	0	110.8	L164 N165 Y169 Q170 R178	L164-N173 HydrophobicContact CB-CB 4.07Å; L164-N173 HydrophobicContact CD2-CB 4.47Å; L164-N173 WeakPolarHBondContact O-CB 3.22Å; L164-N173 PolarHBondContact O-ND2 3.34Å; N165-N173 PolarHBondContact OD1-ND2 3.16Å; Y169-N173 PolarHBondContact O-N 3.44Å; Q170-N173 PolarHBondContact O-N 3.23Å; N173-R178 VanDerWaalsContact OD1-CZ 3.24Å; N173-R178 PolarHBondContact OD1-NE 2.84Å; N173-R178 PolarHBondContact OD1-NH2 2.91Å
174	T	96.3	Very high	96.8	Very high	40 Å²	40	51.7 Å²	51.7	25%	0.245	26%	0.264	C	S	.	.	S	Bend	trans	-128.3	155.7	-176.6	59.5	0	0	0	0	110.2	V172 Q176 H177 R178 I296	V172-T174 PolarHBondContact O-N 2.97Å; T174-Q176 PolarHBondContact O-N 3.45Å; T174-H177 PolarHBondContact O-N 3.22Å; T174-H177 PolarHBondContact OG1-N 3.27Å; T174-H177 PolarHBondContact OG1-ND1 2.71Å; T174-R178 WeakPolarHBondContact O-CB 3.37Å; T174-R178 WeakPolarHBondContact O-CG 3.41Å; T174-R178 PolarHBondContact O-N 3.3Å; T174-I296 VanDerWaalsContact CA-CD1 3.5Å
175	W	96	Very high	96.9	Very high	22 Å²	22	51.7 Å²	51.7	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-30.6	-176.9	70.3	-101.5	0	0	0	111.3	R178 L179 I296 M301 V302 L335 L338	W175-R178 PolarHBondContact O-N 3.01Å; W175-L179 HydrophobicContact CZ3-CD2 4.27Å; W175-L179 VanDerWaalsContact O-CB 3.28Å; W175-L179 WeakPolarHBondContact O-CB 3.46Å; W175-L179 PolarHBondContact O-N 2.82Å; W175-I296 HydrophobicContact CB-CD1 4.47Å; W175-I296 VanDerWaalsContact N-CD1 3.28Å; W175-M301 HydrophobicContact CZ2-CE 4.47Å; W175-V302 HydrophobicContact CB-CG2 4.38Å; W175-V302 HydrophobicContact CD2-CG2 4.08Å; W175-V302 HydrophobicContact CE3-CG2 3.49Å; W175-V302 VanDerWaalsContact CE3-CG2 3.49Å; W175-V302 HydrophobicContact CG-CG2 4.47Å; W175-V302 HydrophobicContact CZ3-CG2 4.15Å; W175-L335 HydrophobicContact CZ3-CD1 4.14Å; W175-L338 HydrophobicContact CE3-CD1 4.36Å; W175-L338 HydrophobicContact CH2-CB 3.36Å; W175-L338 HydrophobicContact CH2-CD1 3.99Å; W175-L338 HydrophobicContact CH2-CG 4.34Å; W175-L338 HydrophobicContact CZ2-CB 4.05Å; W175-L338 HydrophobicContact CZ3-CB 3.96Å; W175-L338 HydrophobicContact CZ3-CD1 3.78Å
176	Q	96.2	Very high	97.1	Very high	60 Å²	60	46.5 Å²	46.5	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-50	177.2	-62	87.5	-21.2	0	0	111.5	T174 R178 L179 Q180	T174-Q176 PolarHBondContact O-N 3.45Å; Q176-R178 VanDerWaalsContact C-N 3.34Å; Q176-L179 PolarHBondContact O-N 2.7Å; Q176-Q180 PolarHBondContact O-N 3.13Å
177	H	97	Very high	97.2	Very high	83 Å²	83	44 Å²	44	38%	0.384	22%	0.224	S	C	.	.	H	α-helix	trans	-68.6	-36.4	178.8	-74.1	86.6	0	0	0	111.3	V172 T174 Q180 L181	V172-H177 WeakPolarHBondContact O-CB 3.4Å; T174-H177 PolarHBondContact O-N 3.22Å; T174-H177 PolarHBondContact OG1-N 3.27Å; T174-H177 PolarHBondContact OG1-ND1 2.71Å; H177-Q180 WeakPolarHBondContact O-CB 3.36Å; H177-Q180 PolarHBondContact O-N 3.08Å; H177-L181 WeakPolarHBondContact O-CG 3.36Å; H177-L181 PolarHBondContact O-N 2.99Å
178	R	98	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69	-36.7	176.3	-71.2	-173.9	173.2	-101.6	11.3	113.2	E161 L164 N173 T174 W175 Q176 Q180 L181 A182 L292 L293 I296	E161-R178 IonicContact OE1-CZ 3.71Å; E161-R178 IonicContact OE1-NH1 3.94Å; E161-R178 PolarHBondContact OE1-NH1 2.83Å; E161-R178 IonicContact OE1-NH2 2.63Å; E161-R178 PolarHBondContact OE1-NH2 2.84Å; E161-R178 IonicContact OE2-CZ 2.66Å; E161-R178 IonicContact OE2-NH1 2.92Å; E161-R178 IonicContact OE2-NH2 3.31Å; E161-R178 PolarHBondContact OE2-NH2 3.36Å; L164-R178 HydrophobicContact CD1-CG 4.3Å; N173-R178 VanDerWaalsContact OD1-CZ 3.24Å; N173-R178 PolarHBondContact OD1-NE 2.84Å; N173-R178 PolarHBondContact OD1-NH2 2.91Å; T174-R178 WeakPolarHBondContact O-CB 3.37Å; T174-R178 WeakPolarHBondContact O-CG 3.41Å; T174-R178 PolarHBondContact O-N 3.3Å; W175-R178 PolarHBondContact O-N 3.01Å; Q176-R178 VanDerWaalsContact C-N 3.34Å; R178-Q180 VanDerWaalsContact C-N 3.33Å; R178-L181 WeakPolarHBondContact O-CB 3.33Å; R178-L181 PolarHBondContact O-N 3.28Å; R178-A182 PolarHBondContact O-N 2.88Å; R178-L292 WeakPolarHBondContact CB-O 3.32Å; R178-L292 WeakPolarHBondContact CD-O 3.43Å; R178-L292 WeakPolarHBondContact CG-O 3.34Å; R178-L292 PolarHBondContact NH1-O 3.33Å; R178-L293 WeakPolarHBondContact CD-O 3.45Å; R178-I296 HydrophobicContact CG-CD1 4.37Å
179	L	98.4	Very high	97.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-39	170	-179.9	55.5	0	0	0	110.8	W175 Q176 L181 A182 M183 L293 V302 L306 Y331 V334 L335	W175-L179 HydrophobicContact CZ3-CD2 4.27Å; W175-L179 VanDerWaalsContact O-CB 3.28Å; W175-L179 WeakPolarHBondContact O-CB 3.46Å; W175-L179 PolarHBondContact O-N 2.82Å; Q176-L179 PolarHBondContact O-N 2.7Å; L179-L181 VanDerWaalsContact C-N 3.35Å; L179-L181 PolarHBondContact O-N 2.88Å; L179-A182 WeakPolarHBondContact O-CB 3.44Å; L179-A182 PolarHBondContact O-N 3.24Å; L179-A182 VanDerWaalsContact O-N 3.15Å; L179-M183 HydrophobicContact CG-SD 4.43Å; L179-M183 VanDerWaalsContact O-CG 3.32Å; L179-M183 WeakPolarHBondContact O-CG 3.33Å; L179-M183 PolarHBondContact O-N 3.16Å; L179-L293 HydrophobicContact CB-CD2 4.16Å; L179-L293 HydrophobicContact CD1-CD2 4.46Å; L179-V302 HydrophobicContact CD1-CG1 3.97Å; L179-V302 HydrophobicContact CD2-CG1 4.03Å; L179-V302 HydrophobicContact CG-CG1 4.43Å; L179-L306 HydrophobicContact CD1-CD1 4.21Å; L179-Y331 HydrophobicContact CD1-CD2 4.06Å; L179-Y331 HydrophobicContact CD1-CG 4.29Å; L179-V334 HydrophobicContact CD2-CG1 4.29Å; L179-L335 HydrophobicContact CD2-CB 3.85Å; L179-L335 HydrophobicContact CD2-CD1 4.04Å
180	Q	98.3	Very high	97.6	Very high	69 Å²	69	31.6 Å²	31.6	32%	0.322	16%	0.159	S	C	.	.	H	α-helix	trans	-60.6	-41.7	173	-174.4	63	59.4	0	0	112.1	Q176 H177 R178 A182 M183 D184	Q176-Q180 PolarHBondContact O-N 3.13Å; H177-Q180 WeakPolarHBondContact O-CB 3.36Å; H177-Q180 PolarHBondContact O-N 3.08Å; R178-Q180 VanDerWaalsContact C-N 3.33Å; Q180-A182 VanDerWaalsContact C-N 3.33Å; Q180-A182 PolarHBondContact O-N 2.81Å; Q180-M183 CarbonylContact O-C 3.58Å; Q180-M183 WeakPolarHBondContact O-CB 3.37Å; Q180-M183 PolarHBondContact O-N 2.73Å; Q180-M183 VanDerWaalsContact O-N 3.16Å; Q180-D184 PolarHBondContact NE2-OD1 3.45Å; Q180-D184 PolarHBondContact O-N 3.46Å
181	L	98.7	Very high	97.8	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-43.1	172.9	-69.9	174.2	0	0	0	111.6	L160 L164 H177 R178 L179 M183 D184 Y185 L217 F221 I223 L292	L160-L181 HydrophobicContact CD1-CD1 3.84Å; L160-L181 HydrophobicContact CD2-CD1 4.08Å; L164-L181 HydrophobicContact CD1-CD1 4.48Å; H177-L181 WeakPolarHBondContact O-CG 3.36Å; H177-L181 PolarHBondContact O-N 2.99Å; R178-L181 WeakPolarHBondContact O-CB 3.33Å; R178-L181 PolarHBondContact O-N 3.28Å; L179-L181 VanDerWaalsContact C-N 3.35Å; L179-L181 PolarHBondContact O-N 2.88Å; L181-M183 VanDerWaalsContact C-N 3.3Å; L181-M183 PolarHBondContact O-N 2.91Å; L181-D184 PolarHBondContact O-N 3.49Å; L181-Y185 PolarHBondContact O-N 3.29Å; L181-L217 HydrophobicContact CD2-CD1 3.78Å; L181-F221 VanDerWaalsContact CD2-O 3.23Å; L181-F221 WeakPolarHBondContact CD2-O 3.33Å; L181-I223 HydrophobicContact CB-CD1 4.11Å; L181-I223 HydrophobicContact CB-CG1 4.49Å; L181-I223 HydrophobicContact CD2-CD1 4.26Å; L181-I223 HydrophobicContact CD2-CG1 3.75Å; L181-I223 WeakPolarHBondContact O-CD1 3.24Å; L181-L292 HydrophobicContact CB-CD2 4.21Å
182	A	98.8	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.7	-39.2	175	0	0	0	0	0	112	R178 L179 Q180 Y185 V186 L292 Y331	R178-A182 PolarHBondContact O-N 2.88Å; L179-A182 WeakPolarHBondContact O-CB 3.44Å; L179-A182 PolarHBondContact O-N 3.24Å; L179-A182 VanDerWaalsContact O-N 3.15Å; Q180-A182 VanDerWaalsContact C-N 3.33Å; Q180-A182 PolarHBondContact O-N 2.81Å; A182-Y185 PolarHBondContact O-N 3.08Å; A182-V186 WeakPolarHBondContact O-CG2 3.19Å; A182-V186 PolarHBondContact O-N 2.78Å; A182-V186 VanDerWaalsContact O-N 3.08Å; A182-L292 HydrophobicContact CB-CB 4.24Å; A182-L292 HydrophobicContact CB-CD1 4.18Å; A182-Y331 HydrophobicContact CB-CD2 4.29Å; A182-Y331 HydrophobicContact CB-CE2 3.79Å
183	M	98.8	Very high	98.2	Very high	7 Å²	7	21 Å²	21	3%	0.034	10%	0.103	C	C	.	.	H	α-helix	trans	-65.6	-39.3	173.5	-68.2	175.1	72.4	0	0	112.7	L179 Q180 L181 V186 S187 L328 Y331 Q332 L335	L179-M183 HydrophobicContact CG-SD 4.43Å; L179-M183 VanDerWaalsContact O-CG 3.32Å; L179-M183 WeakPolarHBondContact O-CG 3.33Å; L179-M183 PolarHBondContact O-N 3.16Å; Q180-M183 CarbonylContact O-C 3.58Å; Q180-M183 WeakPolarHBondContact O-CB 3.37Å; Q180-M183 PolarHBondContact O-N 2.73Å; Q180-M183 VanDerWaalsContact O-N 3.16Å; L181-M183 VanDerWaalsContact C-N 3.3Å; L181-M183 PolarHBondContact O-N 2.91Å; M183-V186 PolarHBondContact O-N 2.83Å; M183-S187 WeakPolarHBondContact O-CB 3.41Å; M183-S187 PolarHBondContact O-N 3.48Å; M183-S187 PolarHBondContact O-OG 2.93Å; M183-L328 HydrophobicContact CB-CD1 4.02Å; M183-L328 HydrophobicContact CE-CD1 4.11Å; M183-L328 HydrophobicContact CG-CD1 4.33Å; M183-Y331 HydrophobicContact CG-CD2 3.71Å; M183-Y331 HydrophobicContact CG-CG 4.16Å; M183-Q332 HydrophobicContact CE-CB 3.84Å; M183-Q332 VanDerWaalsContact CE-OE1 3.31Å; M183-L335 HydrophobicContact SD-CD2 3.91Å
184	D	98.8	Very high	98.2	Very high	22 Å²	22	26 Å²	26	12%	0.118	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-44.3	176.2	-70.3	0.3	0	0	0	110.7	Q180 L181 S187 I188 S222 I223	Q180-D184 PolarHBondContact NE2-OD1 3.45Å; Q180-D184 PolarHBondContact O-N 3.46Å; L181-D184 PolarHBondContact O-N 3.49Å; D184-S187 WeakPolarHBondContact O-CB 3.5Å; D184-S187 PolarHBondContact O-N 3.25Å; D184-I188 WeakPolarHBondContact O-CG1 3.44Å; D184-I188 PolarHBondContact O-N 2.9Å; D184-S222 WeakPolarHBondContact OD2-CA 3.43Å; D184-S222 VanDerWaalsContact OD2-CB 3.26Å; D184-S222 WeakPolarHBondContact OD2-CB 3.19Å; D184-I223 HydrophobicContact CB-CB 3.91Å; D184-I223 HydrophobicContact CB-CD1 4.47Å; D184-I223 HydrophobicContact CB-CG1 4.09Å; D184-I223 PolarHBondContact OD2-N 2.93Å
185	Y	98.9	Very high	98.2	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-58.1	-50.7	173.8	169.5	-101.7	0	0	0	111.9	L181 A182 S187 I188 I189 Y215 I285 I288 L292	L181-Y185 PolarHBondContact O-N 3.29Å; A182-Y185 PolarHBondContact O-N 3.08Å; Y185-S187 VanDerWaalsContact C-N 3.27Å; Y185-S187 PolarHBondContact O-N 3.47Å; Y185-I188 WeakPolarHBondContact O-CB 3.42Å; Y185-I188 PolarHBondContact O-N 3.17Å; Y185-I188 VanDerWaalsContact O-N 3.12Å; Y185-I189 HydrophobicContact CE1-CG1 4.1Å; Y185-I189 HydrophobicContact CE2-CD1 4.12Å; Y185-I189 HydrophobicContact CE2-CG1 4.18Å; Y185-I189 PolarHBondContact O-N 3.07Å; Y185-I189 VanDerWaalsContact O-N 3.07Å; Y185-Y215 HydrophobicContact CD2-CE1 4.12Å; Y185-Y215 HydrophobicContact CD2-CE2 4.13Å; Y185-Y215 AromaticContact CD2-CZ 3.83Å; Y185-Y215 HydrophobicContact CE2-CE1 4.34Å; Y185-Y215 AromaticContact CE2-CE2 3.84Å; Y185-Y215 HydrophobicContact CE2-CE2 3.84Å; Y185-Y215 AromaticContact CE2-CZ 3.61Å; Y185-Y215 WeakPolarHBondContact CE2-OH 3.37Å; Y185-I285 HydrophobicContact CE1-CG1 3.99Å; Y185-I288 HydrophobicContact CD1-CB 4.17Å; Y185-I288 HydrophobicContact CD1-CG2 3.73Å; Y185-I288 HydrophobicContact CD2-CG2 3.89Å; Y185-I288 HydrophobicContact CE1-CB 3.77Å; Y185-I288 HydrophobicContact CE1-CG1 4.07Å; Y185-I288 HydrophobicContact CE1-CG2 3.75Å; Y185-I288 HydrophobicContact CE2-CB 4.49Å; Y185-I288 HydrophobicContact CE2-CG1 4.33Å; Y185-I288 HydrophobicContact CE2-CG2 3.9Å; Y185-I288 HydrophobicContact CG-CG2 3.81Å; Y185-L292 HydrophobicContact CG-CD1 4.49Å
186	V	98.9	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-35.6	179	177.6	0	0	0	0	111.3	A182 M183 I188 I189 N190 I285 A324 V327 L328 Y331	A182-V186 WeakPolarHBondContact O-CG2 3.19Å; A182-V186 PolarHBondContact O-N 2.78Å; A182-V186 VanDerWaalsContact O-N 3.08Å; M183-V186 PolarHBondContact O-N 2.83Å; V186-I188 VanDerWaalsContact C-N 3.32Å; V186-I188 PolarHBondContact O-N 3.11Å; V186-I189 PolarHBondContact O-N 2.82Å; V186-N190 WeakPolarHBondContact O-CB 3.37Å; V186-N190 PolarHBondContact O-N 2.98Å; V186-I285 HydrophobicContact CG1-CD1 4.41Å; V186-I285 HydrophobicContact CG2-CD1 4.28Å; V186-I285 HydrophobicContact CG2-CG1 4.4Å; V186-I285 HydrophobicContact CG2-CG2 3.92Å; V186-A324 HydrophobicContact CG1-CB 4.42Å; V186-A324 VanDerWaalsContact CG1-O 3.25Å; V186-A324 WeakPolarHBondContact CG1-O 3.45Å; V186-V327 HydrophobicContact CG1-CB 3.94Å; V186-V327 HydrophobicContact CG1-CG1 3.82Å; V186-V327 HydrophobicContact CG2-CG1 3.91Å; V186-L328 HydrophobicContact CG1-CB 4Å; V186-Y331 HydrophobicContact CG2-CD2 4.37Å; V186-Y331 HydrophobicContact CG2-CE2 3.84Å
187	S	98.8	Very high	98.1	Very high	21 Å²	21	27.8 Å²	27.8	15%	0.147	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-37.7	175.6	-58.2	0	0	0	0	111.9	M183 D184 Y185 N190 Y191 L328	M183-S187 WeakPolarHBondContact O-CB 3.41Å; M183-S187 PolarHBondContact O-N 3.48Å; M183-S187 PolarHBondContact O-OG 2.93Å; D184-S187 WeakPolarHBondContact O-CB 3.5Å; D184-S187 PolarHBondContact O-N 3.25Å; Y185-S187 VanDerWaalsContact C-N 3.27Å; Y185-S187 PolarHBondContact O-N 3.47Å; S187-N190 PolarHBondContact O-N 2.87Å; S187-Y191 WeakPolarHBondContact O-CB 3.44Å; S187-Y191 PolarHBondContact O-N 3.09Å; S187-L328 WeakPolarHBondContact OG-CD1 3.43Å
188	I	98.9	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-45.9	173.5	-65.8	161.9	0	0	0	110.7	H133 D184 Y185 V186 N190 Y191 L192 Y215 I223 A225	H133-I188 HydrophobicContact CB-CG1 3.96Å; D184-I188 WeakPolarHBondContact O-CG1 3.44Å; D184-I188 PolarHBondContact O-N 2.9Å; Y185-I188 WeakPolarHBondContact O-CB 3.42Å; Y185-I188 PolarHBondContact O-N 3.17Å; Y185-I188 VanDerWaalsContact O-N 3.12Å; V186-I188 VanDerWaalsContact C-N 3.32Å; V186-I188 PolarHBondContact O-N 3.11Å; I188-N190 VanDerWaalsContact C-N 3.31Å; I188-N190 PolarHBondContact O-N 2.82Å; I188-Y191 WeakPolarHBondContact O-CB 3.34Å; I188-Y191 PolarHBondContact O-N 3.11Å; I188-Y191 VanDerWaalsContact O-N 3.16Å; I188-L192 HydrophobicContact CG2-CD1 4.21Å; I188-L192 HydrophobicContact CG2-CG 4.34Å; I188-L192 WeakPolarHBondContact O-CG 3.45Å; I188-L192 PolarHBondContact O-N 3.31Å; I188-Y215 HydrophobicContact CB-CE1 4.44Å; I188-Y215 HydrophobicContact CD1-CD1 3.89Å; I188-Y215 HydrophobicContact CD1-CE1 4.01Å; I188-Y215 HydrophobicContact CG2-CE1 3.92Å; I188-I223 HydrophobicContact CD1-CB 4.14Å; I188-I223 HydrophobicContact CD1-CG2 3.7Å; I188-A225 HydrophobicContact CG2-CB 3.95Å
189	I	98.9	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-46.2	176.2	-60.9	-54.8	0	0	0	110.4	Y185 V186 Y191 L192 H193 D281 I282 A324	Y185-I189 HydrophobicContact CE1-CG1 4.1Å; Y185-I189 HydrophobicContact CE2-CD1 4.12Å; Y185-I189 HydrophobicContact CE2-CG1 4.18Å; Y185-I189 PolarHBondContact O-N 3.07Å; Y185-I189 VanDerWaalsContact O-N 3.07Å; V186-I189 PolarHBondContact O-N 2.82Å; I189-Y191 VanDerWaalsContact C-N 3.29Å; I189-Y191 PolarHBondContact O-N 3.21Å; I189-L192 PolarHBondContact O-N 3.39Å; I189-H193 VanDerWaalsContact CG2-CE1 3.47Å; I189-H193 WeakPolarHBondContact CG2-CE1 3.4Å; I189-H193 PolarHBondContact O-CD2 3.28Å; I189-H193 VanDerWaalsContact O-CG 3.31Å; I189-H193 PolarHBondContact O-N 2.93Å; I189-D281 HydrophobicContact CD1-CB 4.37Å; I189-D281 HydrophobicContact CG2-CB 3.86Å; I189-I282 HydrophobicContact CG2-CD1 4.34Å; I189-A324 HydrophobicContact CB-CB 4.37Å; I189-A324 HydrophobicContact CG2-CB 3.97Å
190	N	98.8	Very high	98.2	Very high	24 Å²	24	28.3 Å²	28.3	13%	0.128	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-41.7	175.8	-170.6	47.2	0	0	0	112.3	V186 S187 I188 H193 H194 A324 Q325	V186-N190 WeakPolarHBondContact O-CB 3.37Å; V186-N190 PolarHBondContact O-N 2.98Å; S187-N190 PolarHBondContact O-N 2.87Å; I188-N190 VanDerWaalsContact C-N 3.31Å; I188-N190 PolarHBondContact O-N 2.82Å; N190-H193 PolarHBondContact O-N 3.46Å; N190-H194 PolarHBondContact O-N 2.84Å; N190-H194 VanDerWaalsContact O-N 3.13Å; N190-H194 PolarHBondContact O-ND1 3.31Å; N190-H194 PolarHBondContact OD1-CE1 3.16Å; N190-H194 PolarHBondContact OD1-ND1 3.28Å; N190-H194 VanDerWaalsContact OD1-ND1 3.12Å; N190-A324 HydrophobicContact CB-CB 3.71Å; N190-Q325 PolarHBondContact ND2-OE1 3.33Å
191	Y	98.6	Very high	98.2	Very high	48 Å²	48	25 Å²	25	19%	0.188	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-41	176.4	175.1	-110.1	0	0	0	112.5	L129 H133 V134 S187 I188 I189 H194 S195	L129-Y191 VanDerWaalsContact CA-OH 3.3Å; L129-Y191 WeakPolarHBondContact CA-OH 3.32Å; L129-Y191 HydrophobicContact CB-CE1 4.09Å; L129-Y191 HydrophobicContact CD2-CE1 4.23Å; L129-Y191 PolarHBondContact O-OH 3.3Å; L129-Y191 VanDerWaalsContact O-OH 3.1Å; H133-Y191 HydrophobicContact CB-CD1 3.74Å; H133-Y191 HydrophobicContact CB-CE1 4.31Å; H133-Y191 HydrophobicContact CB-CG 4.09Å; H133-Y191 AromaticContact CD2-CD2 3.86Å; H133-Y191 AromaticContact CD2-CG 3.56Å; V134-Y191 HydrophobicContact CG2-CE1 4.05Å; S187-Y191 WeakPolarHBondContact O-CB 3.44Å; S187-Y191 PolarHBondContact O-N 3.09Å; I188-Y191 WeakPolarHBondContact O-CB 3.34Å; I188-Y191 PolarHBondContact O-N 3.11Å; I188-Y191 VanDerWaalsContact O-N 3.16Å; I189-Y191 VanDerWaalsContact C-N 3.29Å; I189-Y191 PolarHBondContact O-N 3.21Å; Y191-H194 CarbonylContact O-C 3.56Å; Y191-H194 PolarHBondContact O-N 2.82Å; Y191-S195 VanDerWaalsContact O-CA 3.25Å; Y191-S195 WeakPolarHBondContact O-CA 3.49Å; Y191-S195 WeakPolarHBondContact O-CB 3.27Å; Y191-S195 PolarHBondContact O-N 2.84Å
192	L	98.7	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-39.9	176.2	-67.7	179.1	0	0	0	111.8	L129 I188 I189 H194 S195 R200 M202 L231	L129-L192 HydrophobicContact CD1-CD2 3.98Å; I188-L192 HydrophobicContact CG2-CD1 4.21Å; I188-L192 HydrophobicContact CG2-CG 4.34Å; I188-L192 WeakPolarHBondContact O-CG 3.45Å; I188-L192 PolarHBondContact O-N 3.31Å; I189-L192 PolarHBondContact O-N 3.39Å; L192-H194 PolarHBondContact O-N 3.07Å; L192-S195 WeakPolarHBondContact O-CB 3.38Å; L192-S195 PolarHBondContact O-N 3.26Å; L192-R200 HydrophobicContact CB-CB 4.24Å; L192-R200 HydrophobicContact CD2-CB 4.48Å; L192-R200 PolarHBondContact O-N 3.02Å; L192-M202 HydrophobicContact CD1-CB 4.5Å; L192-M202 HydrophobicContact CD1-CE 4.03Å; L192-L231 HydrophobicContact CD1-CD2 4.21Å; L192-L231 HydrophobicContact CD2-CD1 3.9Å
193	H	98.7	Very high	98.2	Very high	13 Å²	13	25.4 Å²	25.4	6%	0.06	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-27.2	178.7	-68.2	-172	0	0	0	112.8	I189 N190 T199 R200 E278 D281	I189-H193 VanDerWaalsContact CG2-CE1 3.47Å; I189-H193 WeakPolarHBondContact CG2-CE1 3.4Å; I189-H193 PolarHBondContact O-CD2 3.28Å; I189-H193 VanDerWaalsContact O-CG 3.31Å; I189-H193 PolarHBondContact O-N 2.93Å; N190-H193 PolarHBondContact O-N 3.46Å; H193-T199 HydrophobicContact CB-CG2 4.46Å; H193-T199 WeakPolarHBondContact O-CA 3.47Å; H193-T199 WeakPolarHBondContact O-CB 3.47Å; H193-T199 PolarHBondContact O-OG1 3.49Å; H193-R200 PolarHBondContact CD2-O 2.91Å; H193-E278 PolarHBondContact CE1-O 3.3Å; H193-D281 IonicContact CD2-OD2 3.35Å; H193-D281 IonicContact CE1-OD2 2.92Å; H193-D281 IonicContact NE2-OD2 3.96Å; H193-D281 PolarHBondContact NE2-OD2 3.09Å
194	H	98	Very high	98.1	Very high	130 Å²	130	26.8 Å²	26.8	60%	0.602	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	26.1	178.1	-57.8	96.5	0	0	0	113	N190 Y191 L192	N190-H194 PolarHBondContact O-N 2.84Å; N190-H194 VanDerWaalsContact O-N 3.13Å; N190-H194 PolarHBondContact O-ND1 3.31Å; N190-H194 PolarHBondContact OD1-CE1 3.16Å; N190-H194 PolarHBondContact OD1-ND1 3.28Å; N190-H194 VanDerWaalsContact OD1-ND1 3.12Å; Y191-H194 CarbonylContact O-C 3.56Å; Y191-H194 PolarHBondContact O-N 2.82Å; L192-H194 PolarHBondContact O-N 3.07Å
195	S	96.8	Very high	98.1	Very high	8 Å²	8	25.8 Å²	25.8	6%	0.056	14%	0.143	C	C	.	.			trans	-65.9	154.1	-172.3	96.8	0	0	0	0	111.7	Y191 L192 M197 G198	Y191-S195 VanDerWaalsContact O-CA 3.25Å; Y191-S195 WeakPolarHBondContact O-CA 3.49Å; Y191-S195 WeakPolarHBondContact O-CB 3.27Å; Y191-S195 PolarHBondContact O-N 2.84Å; L192-S195 WeakPolarHBondContact O-CB 3.38Å; L192-S195 PolarHBondContact O-N 3.26Å; S195-M197 PolarHBondContact O-N 2.8Å; S195-M197 PolarHBondContact OG-N 3.32Å; S195-M197 VanDerWaalsContact OG-N 3.1Å; S195-G198 WeakPolarHBondContact CB-O 3.37Å; S195-G198 PolarHBondContact O-N 3.24Å; S195-G198 PolarHBondContact OG-O 3.36Å
196	P	94.4	Very high	98	Very high	84 Å²	84	27.9 Å²	27.9	55%	0.545	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.6	174	26.3	-35.4	0	0	0	112.9	L129 G198	L129-P196 HydrophobicContact CD2-CG 4.13Å; P196-G198 VanDerWaalsContact C-N 3.34Å
197	M	95.7	Very high	97.9	Very high	67 Å²	67	31.4 Å²	31.4	33%	0.33	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	17.8	177	-61	-66.9	96.1	0	0	112.6	M125 S128 L129 S195 R200	M125-M197 HydrophobicContact CE-CG 4.41Å; S128-M197 VanDerWaalsContact CB-CG 3.4Å; S128-M197 VanDerWaalsContact CB-SD 3.58Å; S128-M197 PolarHBondContact OG-SD 3.09Å; S128-M197 VanDerWaalsContact OG-SD 3.33Å; L129-M197 HydrophobicContact CD2-CG 4.47Å; S195-M197 PolarHBondContact O-N 2.8Å; S195-M197 PolarHBondContact OG-N 3.32Å; S195-M197 VanDerWaalsContact OG-N 3.1Å; M197-R200 VanDerWaalsContact O-CZ 3.29Å; M197-R200 PolarHBondContact O-NE 3.48Å; M197-R200 PolarHBondContact O-NH2 2.84Å
198	G	97.5	Very high	97.9	Very high	33 Å²	33	32.9 Å²	32.9	34%	0.34	18%	0.179	S	C	.	.	S	Bend	trans	84.8	-178.3	-173.4	0	0	0	0	0	112.8	S195 P196 R200	S195-G198 WeakPolarHBondContact CB-O 3.37Å; S195-G198 PolarHBondContact O-N 3.24Å; S195-G198 PolarHBondContact OG-O 3.36Å; P196-G198 VanDerWaalsContact C-N 3.34Å; G198-R200 PolarHBondContact O-N 2.84Å
199	T	98.6	Very high	97.9	Very high	33 Å²	33	36.9 Å²	36.9	20%	0.202	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	116.2	-178.2	-58.1	0	0	0	0	110.8	H193 V234 E278	H193-T199 HydrophobicContact CB-CG2 4.46Å; H193-T199 WeakPolarHBondContact O-CA 3.47Å; H193-T199 WeakPolarHBondContact O-CB 3.47Å; H193-T199 PolarHBondContact O-OG1 3.49Å; T199-V234 HydrophobicContact CG2-CB 4.16Å; T199-V234 PolarHBondContact O-N 3.47Å; T199-E278 HydrophobicContact CG2-CB 3.71Å; T199-E278 HydrophobicContact CG2-CG 3.7Å
200	R	98.7	Very high	97.8	Very high	29 Å²	29	40.1 Å²	40.1	11%	0.109	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.9	-179	-60.3	-58.9	172	161.4	-6.9	111.2	L192 H193 M197 G198 L231	L192-R200 HydrophobicContact CB-CB 4.24Å; L192-R200 HydrophobicContact CD2-CB 4.48Å; L192-R200 PolarHBondContact O-N 3.02Å; H193-R200 PolarHBondContact CD2-O 2.91Å; M197-R200 VanDerWaalsContact O-CZ 3.29Å; M197-R200 PolarHBondContact O-NE 3.48Å; M197-R200 PolarHBondContact O-NH2 2.84Å; G198-R200 PolarHBondContact O-N 2.84Å; R200-L231 HydrophobicContact CB-CB 4.31Å; R200-L231 WeakPolarHBondContact CD-O 3.46Å; R200-L231 PolarHBondContact NH1-O 3.13Å
201	V	98.7	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.			trans	-106.5	134.7	-179.7	-174.9	0	0	0	0	109.6	C203 L231 P232 V234 V242 E278 I280 D281	V201-C203 PolarHBondContact O-N 3.14Å; V201-C203 VanDerWaalsContact O-N 3.13Å; V201-L231 WeakPolarHBondContact O-CA 3.22Å; V201-L231 WeakPolarHBondContact O-CD2 3.25Å; V201-P232 HydrophobicContact CB-CG 4.5Å; V201-P232 PolarHBondContact N-O 2.96Å; V201-P232 WeakPolarHBondContact O-CD 3.48Å; V201-V234 HydrophobicContact CG2-CG2 3.55Å; V201-V242 HydrophobicContact CB-CG2 4.22Å; V201-V242 HydrophobicContact CG1-CG2 4.26Å; V201-V242 HydrophobicContact CG2-CG1 4.41Å; V201-V242 HydrophobicContact CG2-CG2 3.94Å; V201-E278 HydrophobicContact CG2-CB 3.78Å; V201-I280 HydrophobicContact CG1-CD1 3.4Å; V201-I280 VanDerWaalsContact CG1-CD1 3.4Å; V201-I280 HydrophobicContact CG1-CG1 3.67Å; V201-D281 WeakPolarHBondContact CA-OD2 3.22Å
202	M	98.6	Very high	97.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	21%	0.206	C	C	.	.			trans	-81.2	90	178.2	-177.5	61.1	86.8	0	0	110.2	L192 S205 Q214 Y215 L231 D281	L192-M202 HydrophobicContact CD1-CB 4.5Å; L192-M202 HydrophobicContact CD1-CE 4.03Å; M202-S205 WeakPolarHBondContact O-CB 3.15Å; M202-S205 PolarHBondContact O-OG 2.87Å; M202-Q214 HydrophobicContact CE-CB 4.33Å; M202-Q214 HydrophobicContact SD-CB 4.34Å; M202-Q214 HydrophobicContact SD-CG 4.3Å; M202-Y215 HydrophobicContact CE-CE1 4.31Å; M202-L231 HydrophobicContact CB-CD2 4.41Å; M202-L231 HydrophobicContact CE-CD2 4.19Å; M202-L231 HydrophobicContact SD-CD2 3.81Å; M202-D281 PolarHBondContact N-OD1 3.23Å; M202-D281 PolarHBondContact N-OD2 2.88Å
203	C	98.3	Very high	97.7	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.061	22%	0.221	C	C	.	.			trans	-80.1	-18.4	-175.3	-84	0	0	0	0	115.1	V201 S205 A230 P232 C244	V201-C203 PolarHBondContact O-N 3.14Å; V201-C203 VanDerWaalsContact O-N 3.13Å; C203-S205 PolarHBondContact O-N 2.88Å; C203-A230 HydrophobicContact CB-CB 4.03Å; C203-A230 WeakPolarHBondContact CB-O 3.46Å; C203-A230 PolarHBondContact N-O 3.12Å; C203-P232 HydrophobicContact CB-CG 4.43Å; C203-P232 WeakPolarHBondContact SG-CG 3.15Å; C203-C244 WeakPolarHBondContact CA-SG 3.17Å; C203-C244 HydrophobicContact CB-CB 3.45Å; C203-C244 VanDerWaalsContact CB-CB 3.45Å; C203-C244 WeakPolarHBondContact CB-SG 3.46Å; C203-C244 WeakPolarHBondContact SG-CA 3.43Å; C203-C244 WeakPolarHBondContact SG-CB 2.99Å; C203-C244 CovalentContact SG-SG 2.04Å; C203-C244 PolarHBondContact SG-SG 3.44Å
204	D	97.5	Very high	97.7	Very high	36 Å²	36	38.6 Å²	38.6	19%	0.193	22%	0.218	C	C	.	.	S	Bend	trans	-78.3	49.9	172.9	-89.5	-45.8	0	0	0	112	K210 Q214 A230	D204-K210 WeakPolarHBondContact OD1-CE 3.29Å; D204-K210 IonicContact OD1-NZ 3.56Å; D204-K210 PolarHBondContact OD1-NZ 3.35Å; D204-K210 IonicContact OD2-NZ 2.72Å; D204-Q214 VanDerWaalsContact CB-CD 3.47Å; D204-Q214 HydrophobicContact CB-CG 3.74Å; D204-Q214 WeakPolarHBondContact O-CG 3.28Å; D204-A230 HydrophobicContact CB-CB 4.25Å; D204-A230 VanDerWaalsContact OD2-CB 3.27Å; D204-A230 WeakPolarHBondContact OD2-CB 3.27Å
205	S	97.8	Very high	97.7	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	19%	0.19	C	C	.	.			trans	-144.8	45.5	-171.4	69	0	0	0	0	112.8	M202 C203 T211 F253 K284	M202-S205 WeakPolarHBondContact O-CB 3.15Å; M202-S205 PolarHBondContact O-OG 2.87Å; C203-S205 PolarHBondContact O-N 2.88Å; S205-T211 WeakPolarHBondContact CA-OG1 3.41Å; S205-T211 VanDerWaalsContact CB-OG1 3.25Å; S205-T211 WeakPolarHBondContact CB-OG1 3.15Å; S205-F253 WeakPolarHBondContact O-CE1 3.46Å; S205-K284 WeakPolarHBondContact O-CE 3.24Å; S205-K284 PolarHBondContact O-NZ 2.8Å; S205-K284 PolarHBondContact OG-NZ 2.72Å
206	N	97	Very high	97.8	Very high	46 Å²	46	33.1 Å²	33.1	25%	0.246	19%	0.192	C	C	.	.	S	Bend	trans	-85.6	-13.6	-178.2	-70.4	-26.4	0	0	0	114	L249 V254	N206-L249 HydrophobicContact CB-CD2 3.98Å; N206-V254 HydrophobicContact CB-CG1 4.46Å; N206-V254 WeakPolarHBondContact O-CG1 3.47Å
207	D	97.9	Very high	98	Very high	74 Å²	74	29.1 Å²	29.1	40%	0.396	17%	0.167	S	C	.	.	S	Bend	trans	-149.1	168.1	170.7	61.7	62.4	0	0	0	110.1	P209 K210 T211 F253	D207-P209 VanDerWaalsContact OD1-CD 3.22Å; D207-P209 WeakPolarHBondContact OD1-CD 2.99Å; D207-K210 WeakPolarHBondContact OD1-CB 3.49Å; D207-K210 PolarHBondContact OD1-N 2.96Å; D207-T211 WeakPolarHBondContact O-CB 3.3Å; D207-T211 PolarHBondContact O-N 2.64Å; D207-T211 PolarHBondContact O-OG1 3.31Å; D207-F253 WeakPolarHBondContact O-CE1 3.42Å
208	L	98.3	Very high	98.1	Very high	52 Å²	52	26.3 Å²	26.3	27%	0.272	15%	0.153	S	C	.	.	H	α-helix	trans	-60.2	-55.2	-178.2	173.5	68.1	0	0	0	112.1	K210 T211 L212 F253 I288 F291	L208-K210 PolarHBondContact O-N 3.28Å; L208-T211 PolarHBondContact O-N 3.38Å; L208-L212 HydrophobicContact CD1-CD1 3.77Å; L208-L212 HydrophobicContact CD1-CD2 4.2Å; L208-L212 HydrophobicContact CD1-CG 3.84Å; L208-L212 HydrophobicContact CG-CD1 3.87Å; L208-L212 HydrophobicContact CG-CG 4.34Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.07Å; L208-F253 HydrophobicContact CB-CD2 4.28Å; L208-F253 HydrophobicContact CB-CE2 3.89Å; L208-F253 HydrophobicContact CB-CZ 4.4Å; L208-F253 HydrophobicContact CD1-CE2 4.42Å; L208-I288 HydrophobicContact CD1-CD1 3.33Å; L208-F291 HydrophobicContact CD1-CB 4.1Å; L208-F291 HydrophobicContact CD1-CG 4.28Å; L208-F291 HydrophobicContact CD2-CB 4.32Å; L208-F291 HydrophobicContact CD2-CD2 4.13Å; L208-F291 HydrophobicContact CD2-CG 4.43Å
209	P	97.8	Very high	97.9	Very high	85 Å²	85	28.4 Å²	28.4	55%	0.552	16%	0.162	S	C	*	.	H	α-helix	trans	-53.4	-46	177.7	-28.6	34.7	0	0	0	114.6	D207 L212 S213	D207-P209 VanDerWaalsContact OD1-CD 3.22Å; D207-P209 WeakPolarHBondContact OD1-CD 2.99Å; P209-L212 PolarHBondContact O-N 3.12Å; P209-S213 PolarHBondContact O-N 2.78Å
210	K	97.4	Very high	97.7	Very high	68 Å²	68	32.3 Å²	32.3	30%	0.296	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-47	178.1	176.9	56.6	179.1	157.8	0	110.1	D204 D207 L208 L212 S213 Q214	D204-K210 WeakPolarHBondContact OD1-CE 3.29Å; D204-K210 IonicContact OD1-NZ 3.56Å; D204-K210 PolarHBondContact OD1-NZ 3.35Å; D204-K210 IonicContact OD2-NZ 2.72Å; D207-K210 WeakPolarHBondContact OD1-CB 3.49Å; D207-K210 PolarHBondContact OD1-N 2.96Å; L208-K210 PolarHBondContact O-N 3.28Å; K210-L212 PolarHBondContact O-N 3.35Å; K210-S213 PolarHBondContact O-N 3.45Å; K210-S213 VanDerWaalsContact O-N 3.13Å; K210-S213 PolarHBondContact O-OG 2.88Å; K210-Q214 VanDerWaalsContact NZ-NE2 3.16Å; K210-Q214 PolarHBondContact O-NE2 2.87Å
211	T	98.6	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.2	-50.5	176.5	-53.7	0	0	0	0	111.2	S205 D207 L208 S213 Q214 Y215 F253 I288	S205-T211 WeakPolarHBondContact CA-OG1 3.41Å; S205-T211 VanDerWaalsContact CB-OG1 3.25Å; S205-T211 WeakPolarHBondContact CB-OG1 3.15Å; D207-T211 WeakPolarHBondContact O-CB 3.3Å; D207-T211 PolarHBondContact O-N 2.64Å; D207-T211 PolarHBondContact O-OG1 3.31Å; L208-T211 PolarHBondContact O-N 3.38Å; T211-S213 PolarHBondContact O-N 3.45Å; T211-Q214 PolarHBondContact O-N 3.35Å; T211-Q214 VanDerWaalsContact O-N 3.1Å; T211-Y215 HydrophobicContact CG2-CE2 4.1Å; T211-Y215 WeakPolarHBondContact O-CD2 3.42Å; T211-Y215 VanDerWaalsContact O-CE2 3.3Å; T211-Y215 WeakPolarHBondContact O-CE2 3.26Å; T211-F253 WeakPolarHBondContact OG1-CE1 3.45Å; T211-F253 WeakPolarHBondContact OG1-CZ 3.37Å; T211-I288 HydrophobicContact CG2-CD1 3.83Å; T211-I288 HydrophobicContact CG2-CG1 4.16Å
212	L	98.5	Very high	97.5	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-31.8	179.9	-64.8	172.7	0	0	0	112.7	S156 L157 L208 P209 K210 Q214 Y215 F291	S156-L212 PolarHBondContact OG-O 2.87Å; L157-L212 HydrophobicContact CB-CB 4.39Å; L157-L212 HydrophobicContact CB-CD2 4.4Å; L157-L212 WeakPolarHBondContact CB-O 3.49Å; L157-L212 HydrophobicContact CD2-CD2 3.62Å; L157-L212 HydrophobicContact CG-CD2 3.94Å; L208-L212 HydrophobicContact CD1-CD1 3.77Å; L208-L212 HydrophobicContact CD1-CD2 4.2Å; L208-L212 HydrophobicContact CD1-CG 3.84Å; L208-L212 HydrophobicContact CG-CD1 3.87Å; L208-L212 HydrophobicContact CG-CG 4.34Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.07Å; P209-L212 PolarHBondContact O-N 3.12Å; K210-L212 PolarHBondContact O-N 3.35Å; L212-Q214 PolarHBondContact O-N 3.13Å; L212-Y215 PolarHBondContact O-N 2.98Å; L212-F291 HydrophobicContact CD1-CD1 3.77Å; L212-F291 HydrophobicContact CD1-CD2 4.12Å; L212-F291 HydrophobicContact CD1-CE1 3.46Å; L212-F291 VanDerWaalsContact CD1-CE1 3.46Å; L212-F291 HydrophobicContact CD1-CE2 3.82Å; L212-F291 HydrophobicContact CD1-CG 4.1Å; L212-F291 HydrophobicContact CD1-CZ 3.49Å; L212-F291 VanDerWaalsContact CD1-CZ 3.49Å; L212-F291 HydrophobicContact CD2-CD1 3.57Å; L212-F291 HydrophobicContact CD2-CE1 3.61Å; L212-F291 HydrophobicContact CD2-CG 4.43Å; L212-F291 HydrophobicContact CD2-CZ 4.48Å; L212-F291 HydrophobicContact CG-CD1 4.32Å; L212-F291 HydrophobicContact CG-CE1 4.18Å
213	S	97.3	Very high	97.5	Very high	46 Å²	46	33.9 Å²	33.9	32%	0.322	19%	0.194	S	C	.	.	H	α-helix	trans	-68.9	-15.8	178.2	73.8	0	0	0	0	114.8	S156 S158 P209 K210 T211 Y215	S156-S213 WeakPolarHBondContact OG-CA 3.45Å; S158-S213 PolarHBondContact OG-N 3.34Å; P209-S213 PolarHBondContact O-N 2.78Å; K210-S213 PolarHBondContact O-N 3.45Å; K210-S213 VanDerWaalsContact O-N 3.13Å; K210-S213 PolarHBondContact O-OG 2.88Å; T211-S213 PolarHBondContact O-N 3.45Å; S213-Y215 PolarHBondContact O-N 3.16Å
214	Q	98.4	Very high	97.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.5	177	-49.5	-38.8	-69.9	0	0	112.6	M202 D204 K210 T211 L212 N226 D227	M202-Q214 HydrophobicContact CE-CB 4.33Å; M202-Q214 HydrophobicContact SD-CB 4.34Å; M202-Q214 HydrophobicContact SD-CG 4.3Å; D204-Q214 VanDerWaalsContact CB-CD 3.47Å; D204-Q214 HydrophobicContact CB-CG 3.74Å; D204-Q214 WeakPolarHBondContact O-CG 3.28Å; K210-Q214 VanDerWaalsContact NZ-NE2 3.16Å; K210-Q214 PolarHBondContact O-NE2 2.87Å; T211-Q214 PolarHBondContact O-N 3.35Å; T211-Q214 VanDerWaalsContact O-N 3.1Å; L212-Q214 PolarHBondContact O-N 3.13Å; Q214-N226 PolarHBondContact O-N 3.43Å; Q214-D227 HydrophobicContact CB-CB 4.32Å; Q214-D227 PolarHBondContact O-N 3.45Å; Q214-D227 VanDerWaalsContact O-N 3.14Å; Q214-D227 PolarHBondContact OE1-OD2 3.25Å
215	Y	98.7	Very high	97.6	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	148	-174.4	-55.5	-88.7	0	0	0	112.2	S156 L157 Y185 I188 M202 T211 L212 S213 I223 L224 A225	S156-Y215 WeakPolarHBondContact CA-O 3.44Å; L157-Y215 PolarHBondContact N-O 2.89Å; Y185-Y215 HydrophobicContact CD2-CE1 4.12Å; Y185-Y215 HydrophobicContact CD2-CE2 4.13Å; Y185-Y215 AromaticContact CD2-CZ 3.83Å; Y185-Y215 HydrophobicContact CE2-CE1 4.34Å; Y185-Y215 AromaticContact CE2-CE2 3.84Å; Y185-Y215 HydrophobicContact CE2-CE2 3.84Å; Y185-Y215 AromaticContact CE2-CZ 3.61Å; Y185-Y215 WeakPolarHBondContact CE2-OH 3.37Å; I188-Y215 HydrophobicContact CB-CE1 4.44Å; I188-Y215 HydrophobicContact CD1-CD1 3.89Å; I188-Y215 HydrophobicContact CD1-CE1 4.01Å; I188-Y215 HydrophobicContact CG2-CE1 3.92Å; M202-Y215 HydrophobicContact CE-CE1 4.31Å; T211-Y215 HydrophobicContact CG2-CE2 4.1Å; T211-Y215 WeakPolarHBondContact O-CD2 3.42Å; T211-Y215 VanDerWaalsContact O-CE2 3.3Å; T211-Y215 WeakPolarHBondContact O-CE2 3.26Å; L212-Y215 PolarHBondContact O-N 2.98Å; S213-Y215 PolarHBondContact O-N 3.16Å; Y215-I223 HydrophobicContact CD1-CG2 3.8Å; Y215-I223 HydrophobicContact CG-CG2 4.03Å; Y215-L224 CarbonylContact C-O 3.53Å; Y215-L224 VanDerWaalsContact CA-O 3.24Å; Y215-L224 WeakPolarHBondContact CA-O 3.36Å; Y215-A225 HydrophobicContact CD1-CB 4.36Å; Y215-A225 HydrophobicContact CE1-CB 4.34Å
216	L	98.5	Very high	97.6	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146	173.6	-66.3	174	0	0	0	111	V135 H152 G155 I223 L224 N226	V135-L216 HydrophobicContact CG2-CD1 4.23Å; H152-L216 HydrophobicContact CB-CB 4.42Å; H152-L216 HydrophobicContact CB-CD1 4.27Å; G155-L216 WeakPolarHBondContact O-CA 3.48Å; G155-L216 WeakPolarHBondContact O-CD2 3.41Å; L216-I223 WeakPolarHBondContact O-CA 3.3Å; L216-L224 PolarHBondContact N-O 3.25Å; L216-L224 PolarHBondContact O-N 3.34Å; L216-N226 HydrophobicContact CD1-CB 3.63Å; L216-N226 WeakPolarHBondContact CD1-OD1 3.25Å; L216-N226 HydrophobicContact CG-CB 3.55Å
217	L	98.5	Very high	97.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.4	166.1	-174.5	66.7	0	0	0	109.2	L154 G155 L160 T163 L181 F221	L154-L217 HydrophobicContact CB-CB 4.09Å; L154-L217 HydrophobicContact CB-CD2 4.04Å; L154-L217 HydrophobicContact CB-CG 4.16Å; L154-L217 HydrophobicContact CD1-CD2 3.76Å; L154-L217 HydrophobicContact CD1-CG 3.92Å; G155-L217 PolarHBondContact O-N 3.46Å; L160-L217 HydrophobicContact CD1-CD1 4.22Å; L160-L217 HydrophobicContact CD1-CD2 3.74Å; T163-L217 HydrophobicContact CG2-CD2 4.12Å; L181-L217 HydrophobicContact CD2-CD1 3.78Å; L217-F221 HydrophobicContact CD1-CD1 4.42Å; L217-F221 HydrophobicContact CD2-CD1 4.25Å; L217-F221 HydrophobicContact CD2-CE1 4.36Å
218	T	97	Very high	97.6	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.043	18%	0.176	C	C	.	.			trans	-82.6	160.5	177.4	67.1	0	0	0	0	111.5	L154 N220 F221 S222 L224	L154-T218 WeakPolarHBondContact CD1-O 3.36Å; T218-N220 WeakPolarHBondContact CB-OD1 3.44Å; T218-N220 PolarHBondContact O-N 3.18Å; T218-N220 VanDerWaalsContact O-N 3.08Å; T218-N220 PolarHBondContact OG1-OD1 3.18Å; T218-F221 PolarHBondContact O-N 3.1Å; T218-S222 PolarHBondContact N-O 3.37Å; T218-S222 WeakPolarHBondContact OG1-CA 3.32Å; T218-S222 WeakPolarHBondContact OG1-CB 3.18Å; T218-S222 PolarHBondContact OG1-N 3.04Å; T218-S222 PolarHBondContact OG1-O 3.42Å; T218-L224 HydrophobicContact CG2-CD1 3.49Å; T218-L224 VanDerWaalsContact CG2-CD1 3.49Å; T218-L224 HydrophobicContact CG2-CG 3.66Å
219	S	94.9	Very high	97.6	Very high	77 Å²	77	28.7 Å²	28.7	54%	0.538	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.1	177	-55.7	0	0	0	0	114.3	P153	P153-S219 WeakPolarHBondContact CG-OG 3.39Å
220	N	93.9	Very high	97.6	Very high	115 Å²	115	26 Å²	26	62%	0.615	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	15.6	173.8	70.7	-61.8	0	0	0	113	T218 S222	T218-N220 WeakPolarHBondContact CB-OD1 3.44Å; T218-N220 PolarHBondContact O-N 3.18Å; T218-N220 VanDerWaalsContact O-N 3.08Å; T218-N220 PolarHBondContact OG1-OD1 3.18Å; N220-S222 PolarHBondContact ND2-OG 2.86Å; N220-S222 VanDerWaalsContact ND2-OG 3.12Å
221	F	96.2	Very high	97.6	Very high	28 Å²	28	22.7 Å²	22.7	12%	0.123	14%	0.136	C	C	.	.	S	Bend	trans	58.9	46.4	178.1	-61.5	-86.8	0	0	0	113.7	L154 L164 Y169 V172 L181 L217 T218	L154-F221 HydrophobicContact CD1-CD1 4.5Å; L154-F221 HydrophobicContact CD1-CE1 3.98Å; L154-F221 HydrophobicContact CD1-CZ 4.06Å; L164-F221 HydrophobicContact CD2-CD1 3.89Å; L164-F221 HydrophobicContact CD2-CE1 3.72Å; Y169-F221 HydrophobicContact CD1-CE2 4.08Å; Y169-F221 AromaticContact CD1-CZ 3.46Å; Y169-F221 HydrophobicContact CD1-CZ 3.46Å; Y169-F221 VanDerWaalsContact CD1-CZ 3.46Å; Y169-F221 HydrophobicContact CD2-CZ 4.17Å; Y169-F221 HydrophobicContact CE1-CE2 4.29Å; Y169-F221 AromaticContact CE1-CZ 3.79Å; Y169-F221 HydrophobicContact CE1-CZ 3.79Å; Y169-F221 HydrophobicContact CE2-CZ 4.46Å; Y169-F221 HydrophobicContact CG-CE1 4.32Å; Y169-F221 AromaticContact CG-CZ 3.68Å; Y169-F221 HydrophobicContact CG-CZ 3.68Å; V172-F221 HydrophobicContact CB-CD2 4.31Å; V172-F221 HydrophobicContact CB-CE2 4.44Å; V172-F221 HydrophobicContact CB-CG 4.45Å; V172-F221 HydrophobicContact CG1-CD2 4.17Å; V172-F221 HydrophobicContact CG1-CE2 4.29Å; V172-F221 HydrophobicContact CG2-CD1 3.99Å; V172-F221 HydrophobicContact CG2-CD2 3.98Å; V172-F221 HydrophobicContact CG2-CE1 3.7Å; V172-F221 HydrophobicContact CG2-CE2 3.7Å; V172-F221 HydrophobicContact CG2-CG 4.13Å; V172-F221 HydrophobicContact CG2-CZ 3.57Å; L181-F221 VanDerWaalsContact CD2-O 3.23Å; L181-F221 WeakPolarHBondContact CD2-O 3.33Å; L217-F221 HydrophobicContact CD1-CD1 4.42Å; L217-F221 HydrophobicContact CD2-CD1 4.25Å; L217-F221 HydrophobicContact CD2-CE1 4.36Å; T218-F221 PolarHBondContact O-N 3.1Å
222	S	97.2	Very high	97.6	Very high	33 Å²	33	24.7 Å²	24.7	23%	0.231	15%	0.149	C	C	.	.			trans	-115.1	163.9	167	-61.1	0	0	0	0	110.8	D184 T218 N220	D184-S222 WeakPolarHBondContact OD2-CA 3.43Å; D184-S222 VanDerWaalsContact OD2-CB 3.26Å; D184-S222 WeakPolarHBondContact OD2-CB 3.19Å; T218-S222 PolarHBondContact N-O 3.37Å; T218-S222 WeakPolarHBondContact OG1-CA 3.32Å; T218-S222 WeakPolarHBondContact OG1-CB 3.18Å; T218-S222 PolarHBondContact OG1-N 3.04Å; T218-S222 PolarHBondContact OG1-O 3.42Å; N220-S222 PolarHBondContact ND2-OG 2.86Å; N220-S222 VanDerWaalsContact ND2-OG 3.12Å
223	I	98.6	Very high	97.6	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.9	177.5	-54.1	-175.2	0	0	0	110.6	L157 L181 D184 I188 Y215 L216 L292	L157-I223 HydrophobicContact CD1-CD1 3.99Å; L157-I223 HydrophobicContact CD1-CG1 4.22Å; L157-I223 HydrophobicContact CD2-CD1 3.87Å; L157-I223 HydrophobicContact CD2-CG2 4.47Å; L181-I223 HydrophobicContact CB-CD1 4.11Å; L181-I223 HydrophobicContact CB-CG1 4.49Å; L181-I223 HydrophobicContact CD2-CD1 4.26Å; L181-I223 HydrophobicContact CD2-CG1 3.75Å; L181-I223 WeakPolarHBondContact O-CD1 3.24Å; D184-I223 HydrophobicContact CB-CB 3.91Å; D184-I223 HydrophobicContact CB-CD1 4.47Å; D184-I223 HydrophobicContact CB-CG1 4.09Å; D184-I223 PolarHBondContact OD2-N 2.93Å; I188-I223 HydrophobicContact CD1-CB 4.14Å; I188-I223 HydrophobicContact CD1-CG2 3.7Å; Y215-I223 HydrophobicContact CD1-CG2 3.8Å; Y215-I223 HydrophobicContact CG-CG2 4.03Å; L216-I223 WeakPolarHBondContact O-CA 3.3Å; I223-L292 HydrophobicContact CD1-CD1 4.01Å; I223-L292 HydrophobicContact CD1-CD2 4.04Å
224	L	98.4	Very high	97.7	Very high	19 Å²	19	25.2 Å²	25.2	10%	0.099	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.2	169.4	-64.2	174.5	0	0	0	110.6	A132 H152 Y215 L216 T218	A132-L224 VanDerWaalsContact O-CD2 3.24Å; A132-L224 WeakPolarHBondContact O-CD2 3.31Å; H152-L224 WeakPolarHBondContact NE2-CD1 3.39Å; Y215-L224 CarbonylContact C-O 3.53Å; Y215-L224 VanDerWaalsContact CA-O 3.24Å; Y215-L224 WeakPolarHBondContact CA-O 3.36Å; L216-L224 PolarHBondContact N-O 3.25Å; L216-L224 PolarHBondContact O-N 3.34Å; T218-L224 HydrophobicContact CG2-CD1 3.49Å; T218-L224 VanDerWaalsContact CG2-CD1 3.49Å; T218-L224 HydrophobicContact CG2-CG 3.66Å
225	A	98.6	Very high	97.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132	164.3	0	0	0	0	0	109.9	H133 V134 V135 I188 Y215 L228	H133-A225 PolarHBondContact O-N 3.44Å; V134-A225 WeakPolarHBondContact CA-O 3.1Å; V134-A225 HydrophobicContact CG2-CB 4.44Å; V135-A225 PolarHBondContact N-O 3.45Å; I188-A225 HydrophobicContact CG2-CB 3.95Å; Y215-A225 HydrophobicContact CD1-CB 4.36Å; Y215-A225 HydrophobicContact CE1-CB 4.34Å; A225-L228 HydrophobicContact CB-CD2 3.78Å
226	N	98.2	Very high	97.5	Very high	48 Å²	48	32.7 Å²	32.7	26%	0.257	19%	0.185	S	C	.	.			trans	-122.5	-39.8	-175	167.7	72.7	0	0	0	112.8	V135 Q214 L216	V135-N226 HydrophobicContact CG1-CB 4.44Å; Q214-N226 PolarHBondContact O-N 3.43Å; L216-N226 HydrophobicContact CD1-CB 3.63Å; L216-N226 WeakPolarHBondContact CD1-OD1 3.25Å; L216-N226 HydrophobicContact CG-CB 3.55Å
227	D	97.4	Very high	97.4	Very high	31 Å²	31	37 Å²	37	17%	0.166	22%	0.216	C	C	.	.			trans	-102.2	115.8	176.9	-156.1	-4.2	0	0	0	109.7	K93 Q214	K93-D227 IonicContact NZ-OD1 3.4Å; K93-D227 PolarHBondContact NZ-OD1 3.21Å; Q214-D227 HydrophobicContact CB-CB 4.32Å; Q214-D227 PolarHBondContact O-N 3.45Å; Q214-D227 VanDerWaalsContact O-N 3.14Å; Q214-D227 PolarHBondContact OE1-OD2 3.25Å
228	L	98	Very high	97.3	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	24%	0.24	C	C	.	.			trans	-122.1	15.8	-171.5	-53	177.8	0	0	0	111.5	M125 L126 V134 A225 A230 L231	M125-L228 HydrophobicContact CB-CB 3.9Å; M125-L228 HydrophobicContact CB-CD1 4.24Å; L126-L228 HydrophobicContact CB-CD1 4.2Å; L126-L228 HydrophobicContact CD1-CD1 4.02Å; V134-L228 HydrophobicContact CG1-CD1 3.72Å; A225-L228 HydrophobicContact CB-CD2 3.78Å; L228-A230 VanDerWaalsContact C-N 3.3Å; L228-A230 PolarHBondContact O-N 3.13Å; L228-L231 HydrophobicContact CB-CD1 3.89Å; L228-L231 HydrophobicContact CB-CG 4.4Å; L228-L231 HydrophobicContact CD2-CD1 3.82Å; L228-L231 HydrophobicContact CG-CD1 4.37Å
229	D	97.4	Very high	97.3	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.043	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-26.1	-172.6	-62.9	-5.6	0	0	0	111.8	V92 K93 H121 G122	V92-D229 VanDerWaalsContact CB-OD2 3.22Å; V92-D229 WeakPolarHBondContact CB-OD2 3.45Å; V92-D229 WeakPolarHBondContact CG1-OD2 3.25Å; V92-D229 HydrophobicContact CG2-CB 4.22Å; V92-D229 WeakPolarHBondContact CG2-OD2 3.27Å; K93-D229 WeakPolarHBondContact CE-OD2 3.46Å; K93-D229 IonicContact NZ-OD1 2.76Å; K93-D229 PolarHBondContact NZ-OD1 3.28Å; K93-D229 IonicContact NZ-OD2 2.65Å; K93-D229 PolarHBondContact NZ-OD2 2.91Å; H121-D229 PolarHBondContact CD2-O 3.47Å; G122-D229 WeakPolarHBondContact CA-OD1 3.5Å
230	A	97.8	Very high	97.4	Very high	28 Å²	28	42 Å²	42	23%	0.231	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	62	-179.5	0	0	0	0	0	112.9	C203 D204 L228 P232	C203-A230 HydrophobicContact CB-CB 4.03Å; C203-A230 WeakPolarHBondContact CB-O 3.46Å; C203-A230 PolarHBondContact N-O 3.12Å; D204-A230 HydrophobicContact CB-CB 4.25Å; D204-A230 VanDerWaalsContact OD2-CB 3.27Å; D204-A230 WeakPolarHBondContact OD2-CB 3.27Å; L228-A230 VanDerWaalsContact C-N 3.3Å; L228-A230 PolarHBondContact O-N 3.13Å; A230-P232 VanDerWaalsContact O-CD 3.23Å; A230-P232 WeakPolarHBondContact O-CD 3.3Å
231	L	98.5	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.247	C	C	.	.			trans	-112.9	69.5	176.6	-64.7	-172.4	0	0	0	113.2	H121 M125 L129 L192 R200 V201 M202 L228	H121-L231 PolarHBondContact CE1-O 3.2Å; H121-L231 VanDerWaalsContact CE1-O 3.31Å; H121-L231 PolarHBondContact NE2-N 2.89Å; H121-L231 PolarHBondContact NE2-O 3.42Å; M125-L231 HydrophobicContact CB-CD1 4.37Å; M125-L231 HydrophobicContact CG-CB 4.18Å; M125-L231 HydrophobicContact CG-CD1 4.24Å; M125-L231 HydrophobicContact SD-CB 4.35Å; L129-L231 HydrophobicContact CD1-CD1 4.01Å; L192-L231 HydrophobicContact CD1-CD2 4.21Å; L192-L231 HydrophobicContact CD2-CD1 3.9Å; R200-L231 HydrophobicContact CB-CB 4.31Å; R200-L231 WeakPolarHBondContact CD-O 3.46Å; R200-L231 PolarHBondContact NH1-O 3.13Å; V201-L231 WeakPolarHBondContact O-CA 3.22Å; V201-L231 WeakPolarHBondContact O-CD2 3.25Å; M202-L231 HydrophobicContact CB-CD2 4.41Å; M202-L231 HydrophobicContact CE-CD2 4.19Å; M202-L231 HydrophobicContact SD-CD2 3.81Å; L228-L231 HydrophobicContact CB-CD1 3.89Å; L228-L231 HydrophobicContact CB-CG 4.4Å; L228-L231 HydrophobicContact CD2-CD1 3.82Å; L228-L231 HydrophobicContact CG-CD1 4.37Å
232	P	98.2	Very high	97.7	Very high	41 Å²	41	39 Å²	39	27%	0.266	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-64.8	157.4	178.3	30.2	-36.8	0	0	0	111.9	V201 C203 A230 V242	V201-P232 HydrophobicContact CB-CG 4.5Å; V201-P232 PolarHBondContact N-O 2.96Å; V201-P232 WeakPolarHBondContact O-CD 3.48Å; C203-P232 HydrophobicContact CB-CG 4.43Å; C203-P232 WeakPolarHBondContact SG-CG 3.15Å; A230-P232 VanDerWaalsContact O-CD 3.23Å; A230-P232 WeakPolarHBondContact O-CD 3.3Å; P232-V242 HydrophobicContact CB-CB 4.22Å; P232-V242 HydrophobicContact CB-CG1 3.7Å; P232-V242 HydrophobicContact CG-CB 3.96Å; P232-V242 HydrophobicContact CG-CG1 3.81Å
233	L	98.4	Very high	97.7	Very high	62 Å²	62	40.3 Å²	40.3	33%	0.325	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.8	-178.5	177.1	67.5	0	0	0	110.4	V242	L233-V242 WeakPolarHBondContact O-CG1 3.14Å
234	V	98.6	Very high	97.6	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.8	157	175	0	0	0	0	108.4	T199 V201 T240 L241 V242 D277 E278	T199-V234 HydrophobicContact CG2-CB 4.16Å; T199-V234 PolarHBondContact O-N 3.47Å; V201-V234 HydrophobicContact CG2-CG2 3.55Å; V234-T240 CarbonylContact C-O 3.46Å; V234-T240 WeakPolarHBondContact CA-O 3.3Å; V234-L241 HydrophobicContact CG1-CD2 4.42Å; V234-V242 HydrophobicContact CG2-CB 4.46Å; V234-V242 HydrophobicContact CG2-CG1 3.6Å; V234-V242 HydrophobicContact CG2-CG2 4.11Å; V234-D277 HydrophobicContact CG1-CB 4.23Å; V234-D277 HydrophobicContact CG2-CB 4.39Å; V234-E278 WeakPolarHBondContact CG1-OE2 3.49Å
235	N	98	Very high	97.3	Very high	56 Å²	56	41.3 Å²	41.3	30%	0.299	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-134.8	95.7	169.7	-176	-13.5	0	0	0	109.5	S237 S238 G239 T240	N235-S237 PolarHBondContact O-N 3.42Å; N235-S237 WeakPolarHBondContact OD1-CB 3.41Å; N235-S237 PolarHBondContact OD1-N 2.83Å; N235-S237 PolarHBondContact OD1-OG 3.45Å; N235-S238 WeakPolarHBondContact CB-OG 3.48Å; N235-S238 PolarHBondContact ND2-OG 3.07Å; N235-S238 PolarHBondContact O-N 2.65Å; N235-S238 PolarHBondContact O-OG 3.42Å; N235-S238 PolarHBondContact OD1-N 2.93Å; N235-G239 PolarHBondContact O-N 3.44Å; N235-T240 PolarHBondContact N-O 3.1Å; N235-T240 PolarHBondContact O-N 3.16Å
236	H	96	Very high	97.1	Very high	103 Å²	103	48.1 Å²	48.1	48%	0.477	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.4	177.3	-70.4	-73.1	0	0	0	113	G239 D277 E278	H236-G239 PolarHBondContact O-N 3.33Å; H236-D277 IonicContact CE1-OD2 3.84Å; H236-E278 IonicContact CD2-OE2 3.29Å; H236-E278 IonicContact CE1-OE2 3.88Å; H236-E278 IonicContact NE2-OE1 3.88Å; H236-E278 PolarHBondContact NE2-OE1 3.15Å; H236-E278 IonicContact NE2-OE2 3.76Å; H236-E278 PolarHBondContact NE2-OE2 3.41Å
237	S	96.3	Very high	97	Very high	111 Å²	111	56.1 Å²	56.1	78%	0.776	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-32.3	-179.4	74	0	0	0	0	113.5	N235	N235-S237 PolarHBondContact O-N 3.42Å; N235-S237 WeakPolarHBondContact OD1-CB 3.41Å; N235-S237 PolarHBondContact OD1-N 2.83Å; N235-S237 PolarHBondContact OD1-OG 3.45Å
238	S	96.7	Very high	97	Very high	71 Å²	71	58.2 Å²	58.2	50%	0.497	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-2.2	175.2	58.1	0	0	0	0	113.3	N235 T240	N235-S238 WeakPolarHBondContact CB-OG 3.48Å; N235-S238 PolarHBondContact ND2-OG 3.07Å; N235-S238 PolarHBondContact O-N 2.65Å; N235-S238 PolarHBondContact O-OG 3.42Å; N235-S238 PolarHBondContact OD1-N 2.93Å; S238-T240 PolarHBondContact O-N 2.78Å; S238-T240 PolarHBondContact OG-OG1 3.2Å
239	G	96.2	Very high	97	Very high	56 Å²	56	59.3 Å²	59.3	58%	0.577	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	21.4	-172.6	0	0	0	0	0	113.7	N235 H236 L241	N235-G239 PolarHBondContact O-N 3.44Å; H236-G239 PolarHBondContact O-N 3.33Å; G239-L241 PolarHBondContact O-N 2.67Å
240	T	97.8	Very high	96.9	Very high	62 Å²	62	65.1 Å²	65.1	38%	0.38	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-78	115.2	177.1	-54.7	0	0	0	0	109.3	V234 N235 S238	V234-T240 CarbonylContact C-O 3.46Å; V234-T240 WeakPolarHBondContact CA-O 3.3Å; N235-T240 PolarHBondContact N-O 3.1Å; N235-T240 PolarHBondContact O-N 3.16Å; S238-T240 PolarHBondContact O-N 2.78Å; S238-T240 PolarHBondContact OG-OG1 3.2Å
241	L	98.2	Very high	96.8	Very high	75 Å²	75	65.9 Å²	65.9	39%	0.393	37%	0.37	S	S	.	.			trans	-111.5	178.2	177.4	-64.4	-177.4	0	0	0	110.4	V234 G239 S275 Y276 D277	V234-L241 HydrophobicContact CG1-CD2 4.42Å; G239-L241 PolarHBondContact O-N 2.67Å; L241-S275 VanDerWaalsContact CB-CB 3.49Å; L241-Y276 WeakPolarHBondContact CB-O 3.42Å; L241-D277 HydrophobicContact CD2-CB 3.98Å
242	V	97.7	Very high	96.8	Very high	6 Å²	6	72.8 Å²	72.8	4%	0.036	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-125.9	164.3	-174.3	-56.5	0	0	0	0	113	V201 P232 L233 V234 S275 Y276	V201-V242 HydrophobicContact CB-CG2 4.22Å; V201-V242 HydrophobicContact CG1-CG2 4.26Å; V201-V242 HydrophobicContact CG2-CG1 4.41Å; V201-V242 HydrophobicContact CG2-CG2 3.94Å; P232-V242 HydrophobicContact CB-CB 4.22Å; P232-V242 HydrophobicContact CB-CG1 3.7Å; P232-V242 HydrophobicContact CG-CB 3.96Å; P232-V242 HydrophobicContact CG-CG1 3.81Å; L233-V242 WeakPolarHBondContact O-CG1 3.14Å; V234-V242 HydrophobicContact CG2-CB 4.46Å; V234-V242 HydrophobicContact CG2-CG1 3.6Å; V234-V242 HydrophobicContact CG2-CG2 4.11Å; V242-S275 CarbonylContact O-C 3.56Å; V242-S275 VanDerWaalsContact O-CA 3.27Å; V242-S275 WeakPolarHBondContact O-CA 3.28Å; V242-S275 WeakPolarHBondContact O-CB 3.47Å; V242-Y276 HydrophobicContact CG2-CD2 3.84Å; V242-Y276 HydrophobicContact CG2-CE2 3.96Å; V242-Y276 WeakPolarHBondContact CG2-O 3.22Å; V242-Y276 PolarHBondContact N-O 3.24Å; V242-Y276 PolarHBondContact O-N 3.19Å
243	K	96.4	Very high	96.8	Very high	60 Å²	60	72.2 Å²	72.2	26%	0.261	40%	0.4	S	S	.	.			trans	-143.8	134.2	167.5	-175.2	-179.6	64.6	-171.5	0	108.5	G245 D270 M273 Y276	K243-G245 WeakPolarHBondContact CE-O 3.01Å; K243-G245 PolarHBondContact O-N 3.13Å; K243-D270 WeakPolarHBondContact CE-OD1 2.91Å; K243-D270 PolarHBondContact NZ-O 2.74Å; K243-D270 IonicContact NZ-OD1 2.66Å; K243-D270 PolarHBondContact NZ-OD1 2.86Å; K243-D270 IonicContact NZ-OD2 2.78Å; K243-D270 PolarHBondContact NZ-OD2 3.39Å; K243-M273 HydrophobicContact CD-CB 3.83Å; K243-M273 HydrophobicContact CD-CG 3.78Å; K243-M273 HydrophobicContact CG-CG 4.35Å; K243-Y276 HydrophobicContact CG-CE1 4.46Å
244	C	96.6	Very high	96.8	Very high	4 Å²	4	69.4 Å²	69.4	3%	0.027	39%	0.385	C	S	.	.			trans	-101.3	79.6	-171	-62	0	0	0	0	111.3	C203 Y276 I280	C203-C244 WeakPolarHBondContact CA-SG 3.17Å; C203-C244 HydrophobicContact CB-CB 3.45Å; C203-C244 VanDerWaalsContact CB-CB 3.45Å; C203-C244 WeakPolarHBondContact CB-SG 3.46Å; C203-C244 WeakPolarHBondContact SG-CA 3.43Å; C203-C244 WeakPolarHBondContact SG-CB 2.99Å; C203-C244 CovalentContact SG-SG 2.04Å; C203-C244 PolarHBondContact SG-SG 3.44Å; C244-Y276 VanDerWaalsContact CB-OH 3.29Å; C244-Y276 WeakPolarHBondContact CB-OH 3.28Å; C244-Y276 PolarHBondContact N-OH 3.43Å; C244-I280 VanDerWaalsContact SG-CD1 3.56Å
245	G	92.5	Very high	96.8	Very high	41 Å²	41	69.3 Å²	69.3	42%	0.423	39%	0.385	S	S	.	.			trans	100	-178.3	-179.3	0	0	0	0	0	113.5	K243	K243-G245 WeakPolarHBondContact CE-O 3.01Å; K243-G245 PolarHBondContact O-N 3.13Å
246	H	94.9	Very high	96.8	Very high	143 Å²	143	68.3 Å²	68.3	66%	0.662	38%	0.382	S	S	*	.	S	Bend	trans	-120.5	12.5	-172.1	-59.5	-71.3	0	0	0	113.8	F268 D270	H246-F268 WeakPolarHBondContact O-CE1 3.33Å; H246-D270 WeakPolarHBondContact CA-OD1 3.32Å; H246-D270 IonicContact CE1-OD2 3.22Å; H246-D270 IonicContact CG-OD2 3.94Å; H246-D270 IonicContact ND1-OD1 3.87Å; H246-D270 IonicContact ND1-OD2 2.9Å; H246-D270 PolarHBondContact ND1-OD2 3.4Å
247	R	95.9	Very high	96.9	Very high	215 Å²	215	65.4 Å²	65.4	81%	0.811	37%	0.368	S	S	*	.	S	Bend	trans	-118.4	155.3	-177.1	-62.1	-177.8	-174.7	178.4	2.2	109	L249	R247-L249 PolarHBondContact O-N 3.24Å
248	E	97.1	Very high	97	Very high	76 Å²	76	60.3 Å²	60.3	36%	0.355	33%	0.332	S	S	.	.			trans	-60.5	134.6	170.5	-162.9	173.3	173.1	0	0	110.1	H250 W260 F268	E248-H250 IonicContact OE1-CE1 2.74Å; E248-H250 PolarHBondContact OE1-CE1 3.02Å; E248-H250 VanDerWaalsContact OE1-CE1 3.29Å; E248-H250 IonicContact OE2-CE1 2.91Å; E248-W260 HydrophobicContact CG-CB 4.05Å; E248-F268 HydrophobicContact CB-CB 3.93Å; E248-F268 HydrophobicContact CB-CD1 4.22Å; E248-F268 HydrophobicContact CB-CD2 3.69Å; E248-F268 HydrophobicContact CB-CE2 4.24Å; E248-F268 HydrophobicContact CB-CG 3.67Å; E248-F268 HydrophobicContact CG-CB 4.15Å; E248-F268 HydrophobicContact CG-CD2 3.84Å; E248-F268 HydrophobicContact CG-CG 4.14Å; E248-F268 WeakPolarHBondContact OE2-CB 3.45Å
249	L	97	Very high	97	Very high	26 Å²	26	59.6 Å²	59.6	14%	0.136	32%	0.322	C	S	.	.			trans	-104.9	149.7	176	-60.9	176.9	0	0	0	109.2	N206 R247 V254 Q258 L259	N206-L249 HydrophobicContact CB-CD2 3.98Å; R247-L249 PolarHBondContact O-N 3.24Å; L249-V254 HydrophobicContact CB-CG2 4.27Å; L249-V254 HydrophobicContact CD1-CG1 4.33Å; L249-Q258 HydrophobicContact CD1-CB 4.05Å; L249-L259 WeakPolarHBondContact O-CD2 3.46Å
250	H	96.3	Very high	97.1	Very high	130 Å²	130	58 Å²	58	60%	0.602	30%	0.299	S	S	*	.			trans	-140.5	160.5	-176	-56.4	-74.9	0	0	0	111.3	E248	E248-H250 IonicContact OE1-CE1 2.74Å; E248-H250 PolarHBondContact OE1-CE1 3.02Å; E248-H250 VanDerWaalsContact OE1-CE1 3.29Å; E248-H250 IonicContact OE2-CE1 2.91Å
251	G	96.3	Very high	97	Very high	44 Å²	44	58.7 Å²	58.7	45%	0.454	30%	0.304	S	S	.	.	S	Bend	trans	86.1	170.7	174.4	0	0	0	0	0	114.2	F253 V254	G251-F253 VanDerWaalsContact C-N 3.31Å; G251-F253 PolarHBondContact O-N 3.4Å; G251-V254 WeakPolarHBondContact O-CG2 3.39Å
252	D	97.1	Very high	97	Very high	144 Å²	144	60.5 Å²	60.5	77%	0.77	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.7	-169.7	-56.8	-33.6	0	0	0	113.8	W283	D252-W283 PolarHBondContact O-NE1 2.82Å; D252-W283 VanDerWaalsContact O-NE1 3.16Å
253	F	98.5	Very high	96.7	Very high	30 Å²	30	62.1 Å²	62.1	13%	0.132	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-40.8	178.9	-176.8	-94.7	0	0	0	111.8	S205 D207 L208 T211 G251 W283 K284 D287 I288	S205-F253 WeakPolarHBondContact O-CE1 3.46Å; D207-F253 WeakPolarHBondContact O-CE1 3.42Å; L208-F253 HydrophobicContact CB-CD2 4.28Å; L208-F253 HydrophobicContact CB-CE2 3.89Å; L208-F253 HydrophobicContact CB-CZ 4.4Å; L208-F253 HydrophobicContact CD1-CE2 4.42Å; T211-F253 WeakPolarHBondContact OG1-CE1 3.45Å; T211-F253 WeakPolarHBondContact OG1-CZ 3.37Å; G251-F253 VanDerWaalsContact C-N 3.31Å; G251-F253 PolarHBondContact O-N 3.4Å; F253-W283 VanDerWaalsContact O-CD1 3.22Å; F253-W283 PolarHBondContact O-NE1 2.85Å; F253-K284 HydrophobicContact CE1-CD 4.08Å; F253-K284 HydrophobicContact CE1-CG 4.15Å; F253-K284 HydrophobicContact CZ-CB 4.39Å; F253-K284 HydrophobicContact CZ-CD 4.45Å; F253-K284 HydrophobicContact CZ-CG 4.26Å; F253-D287 HydrophobicContact CD2-CB 3.99Å; F253-D287 HydrophobicContact CE2-CB 3.85Å; F253-I288 HydrophobicContact CE2-CD1 3.81Å; F253-I288 HydrophobicContact CZ-CD1 3.75Å
254	V	98.5	Very high	96.4	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.012	36%	0.357	C	S	.	.	S	Bend	trans	-78	154.2	175.3	-63.5	0	0	0	0	110.5	N206 L249 G251 Q258 L259 W283	N206-V254 HydrophobicContact CB-CG1 4.46Å; N206-V254 WeakPolarHBondContact O-CG1 3.47Å; L249-V254 HydrophobicContact CB-CG2 4.27Å; L249-V254 HydrophobicContact CD1-CG1 4.33Å; G251-V254 WeakPolarHBondContact O-CG2 3.39Å; V254-Q258 HydrophobicContact CB-CB 4.04Å; V254-Q258 HydrophobicContact CB-CG 4.48Å; V254-Q258 HydrophobicContact CG2-CB 4.35Å; V254-L259 HydrophobicContact CG2-CD2 3.46Å; V254-L259 VanDerWaalsContact CG2-CD2 3.46Å; V254-L259 HydrophobicContact CG2-CG 4.13Å; V254-W283 PolarHBondContact O-NE1 2.93Å
255	A	98.6	Very high	96.4	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	40%	0.399	C	S	.	.			trans	-68.2	151.3	178.6	0	0	0	0	0	111.1	E257 Q258 I280 W283	A255-E257 HydrophobicContact CB-CG 4.44Å; A255-E257 WeakPolarHBondContact CB-OE2 3.37Å; A255-E257 PolarHBondContact O-N 3.44Å; A255-E257 VanDerWaalsContact O-N 3.15Å; A255-Q258 HydrophobicContact CB-CG 4.19Å; A255-Q258 WeakPolarHBondContact O-CA 3.45Å; A255-Q258 VanDerWaalsContact O-CB 3.26Å; A255-Q258 WeakPolarHBondContact O-CB 3.4Å; A255-Q258 PolarHBondContact O-N 3.14Å; A255-I280 HydrophobicContact CB-CB 4.08Å; A255-I280 HydrophobicContact CB-CG2 3.96Å; A255-W283 HydrophobicContact CB-CB 3.76Å; A255-W283 HydrophobicContact CB-CD2 4.1Å; A255-W283 HydrophobicContact CB-CG 3.65Å
256	P	98.3	Very high	96.5	Very high	36 Å²	36	78.6 Å²	78.6	23%	0.234	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-52.4	-38	-179.5	-28	34.4	0	0	0	113.9	Q258 L259 W283	P256-Q258 PolarHBondContact O-N 3.41Å; P256-L259 WeakPolarHBondContact O-CB 3.48Å; P256-L259 PolarHBondContact O-N 3.49Å; P256-L259 VanDerWaalsContact O-N 3.1Å; P256-W283 HydrophobicContact CG-CE3 4.4Å; P256-W283 HydrophobicContact CG-CH2 3.69Å; P256-W283 HydrophobicContact CG-CZ2 4.16Å; P256-W283 HydrophobicContact CG-CZ3 3.81Å
257	E	97.9	Very high	96.6	Very high	42 Å²	42	76.8 Å²	76.8	20%	0.196	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-72.1	-10.6	177.7	67.6	-86.9	-154.3	0	0	114.3	A255 M273 Y276 I280 P318 R321	A255-E257 HydrophobicContact CB-CG 4.44Å; A255-E257 WeakPolarHBondContact CB-OE2 3.37Å; A255-E257 PolarHBondContact O-N 3.44Å; A255-E257 VanDerWaalsContact O-N 3.15Å; E257-M273 WeakPolarHBondContact O-CE 3.49Å; E257-Y276 HydrophobicContact CG-CD1 4.38Å; E257-Y276 HydrophobicContact CG-CG 4.14Å; E257-Y276 WeakPolarHBondContact O-CD1 3.47Å; E257-I280 HydrophobicContact CG-CG2 4.06Å; E257-I280 WeakPolarHBondContact OE1-CG2 3.25Å; E257-P318 HydrophobicContact CG-CG 4.31Å; E257-P318 WeakPolarHBondContact OE1-CG 3.29Å; E257-R321 IonicContact OE1-CZ 3.33Å; E257-R321 IonicContact OE1-NH1 2.81Å; E257-R321 PolarHBondContact OE1-NH1 3.35Å; E257-R321 IonicContact OE1-NH2 2.78Å; E257-R321 PolarHBondContact OE1-NH2 3.22Å; E257-R321 IonicContact OE2-CZ 3.74Å; E257-R321 IonicContact OE2-NH1 2.73Å; E257-R321 IonicContact OE2-NH2 2.65Å; E257-R321 PolarHBondContact OE2-NH2 3.05Å
258	Q	98.1	Very high	96.7	Very high	4 Å²	4	69 Å²	69	2%	0.019	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-85.4	-14.5	169.9	-59.1	-167.9	-109.8	0	0	112.7	L249 V254 A255 P256 M273 Y276 I280 K284	L249-Q258 HydrophobicContact CD1-CB 4.05Å; V254-Q258 HydrophobicContact CB-CB 4.04Å; V254-Q258 HydrophobicContact CB-CG 4.48Å; V254-Q258 HydrophobicContact CG2-CB 4.35Å; A255-Q258 HydrophobicContact CB-CG 4.19Å; A255-Q258 WeakPolarHBondContact O-CA 3.45Å; A255-Q258 VanDerWaalsContact O-CB 3.26Å; A255-Q258 WeakPolarHBondContact O-CB 3.4Å; A255-Q258 PolarHBondContact O-N 3.14Å; P256-Q258 PolarHBondContact O-N 3.41Å; Q258-M273 VanDerWaalsContact C-CE 3.4Å; Q258-M273 VanDerWaalsContact O-CE 3.26Å; Q258-M273 WeakPolarHBondContact O-CE 3.39Å; Q258-Y276 HydrophobicContact CB-CE1 4.19Å; Q258-Y276 HydrophobicContact CG-CD1 4.33Å; Q258-Y276 HydrophobicContact CG-CE1 3.86Å; Q258-Y276 HydrophobicContact CG-CE2 4.15Å; Q258-Y276 PolarHBondContact NE2-OH 2.71Å; Q258-I280 HydrophobicContact CG-CB 4.32Å; Q258-I280 HydrophobicContact CG-CG2 3.84Å; Q258-K284 VanDerWaalsContact OE1-CE 3.28Å
259	L	97.7	Very high	96.6	Very high	55 Å²	55	71.8 Å²	71.8	29%	0.288	38%	0.378	S	S	.	.	S	Bend	trans	-83.2	149.7	179.5	-60.2	176.2	0	0	0	110.8	L249 V254 P256 P261 M273	L249-L259 WeakPolarHBondContact O-CD2 3.46Å; V254-L259 HydrophobicContact CG2-CD2 3.46Å; V254-L259 VanDerWaalsContact CG2-CD2 3.46Å; V254-L259 HydrophobicContact CG2-CG 4.13Å; P256-L259 WeakPolarHBondContact O-CB 3.48Å; P256-L259 PolarHBondContact O-N 3.49Å; P256-L259 VanDerWaalsContact O-N 3.1Å; L259-P261 VanDerWaalsContact O-CD 3.3Å; L259-P261 WeakPolarHBondContact O-CD 3.22Å; L259-M273 WeakPolarHBondContact O-CE 3.39Å
260	W	97.5	Very high	96.6	Very high	22 Å²	22	72.5 Å²	72.5	8%	0.083	38%	0.382	C	S	.	.			trans	-61.3	116.3	177.4	179.7	-119.9	0	0	0	111.3	E248 Y262 G263 M266 P267 F268 R269 L272 M273	E248-W260 HydrophobicContact CG-CB 4.05Å; W260-Y262 AromaticContact CD2-CD2 3.91Å; W260-Y262 HydrophobicContact CD2-CD2 3.91Å; W260-Y262 AromaticContact CE2-CD2 3.63Å; W260-Y262 AromaticContact CE3-CD2 3.89Å; W260-Y262 HydrophobicContact CE3-CD2 3.89Å; W260-Y262 HydrophobicContact CE3-CE2 4.35Å; W260-Y262 AromaticContact CH2-CD2 3.34Å; W260-Y262 HydrophobicContact CH2-CD2 3.34Å; W260-Y262 AromaticContact CH2-CE2 3.76Å; W260-Y262 HydrophobicContact CH2-CE2 3.76Å; W260-Y262 HydrophobicContact CH2-CG 4.4Å; W260-Y262 AromaticContact CZ2-CD2 3.36Å; W260-Y262 HydrophobicContact CZ2-CD2 3.36Å; W260-Y262 HydrophobicContact CZ2-CE2 4.24Å; W260-Y262 HydrophobicContact CZ2-CG 4.06Å; W260-Y262 AromaticContact CZ3-CD2 3.61Å; W260-Y262 HydrophobicContact CZ3-CD2 3.61Å; W260-Y262 AromaticContact CZ3-CE2 3.81Å; W260-Y262 HydrophobicContact CZ3-CE2 3.81Å; W260-Y262 PolarHBondContact O-N 3.47Å; W260-G263 PolarHBondContact NE1-O 3.24Å; W260-M266 HydrophobicContact CH2-SD 4.38Å; W260-M266 HydrophobicContact CZ2-CB 4.38Å; W260-M266 HydrophobicContact CZ2-CG 3.86Å; W260-M266 HydrophobicContact CZ2-SD 3.77Å; W260-M266 PolarHBondContact NE1-O 2.95Å; W260-P267 WeakPolarHBondContact CZ2-O 3.45Å; W260-F268 HydrophobicContact CB-CD2 4.41Å; W260-F268 AromaticContact CD2-CD2 3.95Å; W260-F268 HydrophobicContact CD2-CD2 3.95Å; W260-F268 AromaticContact CE3-CD2 3.56Å; W260-F268 HydrophobicContact CE3-CD2 3.56Å; W260-F268 HydrophobicContact CE3-CE2 4.03Å; W260-F268 HydrophobicContact CG-CD2 4.34Å; W260-F268 HydrophobicContact CZ3-CD2 4.07Å; W260-F268 HydrophobicContact CZ3-CE2 4.43Å; W260-R269 HydrophobicContact CH2-CB 4.24Å; W260-R269 WeakPolarHBondContact CZ3-O 3.49Å; W260-L272 HydrophobicContact CH2-CB 3.81Å; W260-L272 HydrophobicContact CH2-CD1 4.41Å; W260-L272 HydrophobicContact CZ3-CB 4.12Å; W260-M273 HydrophobicContact CE3-SD 4.02Å; W260-M273 HydrophobicContact CZ3-CB 4.43Å
261	P	96.8	Very high	96.6	Very high	77 Å²	77	71.5 Å²	71.5	50%	0.5	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.8	-166.7	34.2	-36.7	0	0	0	113.8	L259 P274	L259-P261 VanDerWaalsContact O-CD 3.3Å; L259-P261 WeakPolarHBondContact O-CD 3.22Å; P261-P274 HydrophobicContact CG-CG 4Å
262	Y	96.5	Very high	96.6	Very high	113 Å²	113	72.2 Å²	72.2	44%	0.443	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.4	-171.3	-56.4	-74.5	0	0	0	114	W260 M266 L272	W260-Y262 AromaticContact CD2-CD2 3.91Å; W260-Y262 HydrophobicContact CD2-CD2 3.91Å; W260-Y262 AromaticContact CE2-CD2 3.63Å; W260-Y262 AromaticContact CE3-CD2 3.89Å; W260-Y262 HydrophobicContact CE3-CD2 3.89Å; W260-Y262 HydrophobicContact CE3-CE2 4.35Å; W260-Y262 AromaticContact CH2-CD2 3.34Å; W260-Y262 HydrophobicContact CH2-CD2 3.34Å; W260-Y262 AromaticContact CH2-CE2 3.76Å; W260-Y262 HydrophobicContact CH2-CE2 3.76Å; W260-Y262 HydrophobicContact CH2-CG 4.4Å; W260-Y262 AromaticContact CZ2-CD2 3.36Å; W260-Y262 HydrophobicContact CZ2-CD2 3.36Å; W260-Y262 HydrophobicContact CZ2-CE2 4.24Å; W260-Y262 HydrophobicContact CZ2-CG 4.06Å; W260-Y262 AromaticContact CZ3-CD2 3.61Å; W260-Y262 HydrophobicContact CZ3-CD2 3.61Å; W260-Y262 AromaticContact CZ3-CE2 3.81Å; W260-Y262 HydrophobicContact CZ3-CE2 3.81Å; W260-Y262 PolarHBondContact O-N 3.47Å; Y262-M266 HydrophobicContact CD1-SD 4.31Å; Y262-M266 HydrophobicContact CD2-SD 4.11Å; Y262-M266 HydrophobicContact CG-SD 3.77Å; Y262-L272 HydrophobicContact CE2-CB 4.25Å; Y262-L272 WeakPolarHBondContact CE2-O 3.17Å; Y262-L272 PolarHBondContact OH-O 3.14Å
263	G	91.7	Very high	96.6	Very high	41 Å²	41	66.2 Å²	66.2	42%	0.423	34%	0.342	S	S	.	.			trans	74.4	176.2	179.8	0	0	0	0	0	113.9	W260 D265 M266	W260-G263 PolarHBondContact NE1-O 3.24Å; G263-D265 VanDerWaalsContact C-N 3.31Å; G263-D265 PolarHBondContact O-N 2.81Å; G263-M266 PolarHBondContact O-N 2.78Å
264	E	91.4	Very high	96.6	Very high	199 Å²	199	67.6 Å²	67.6	93%	0.93	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.7	-171.8	-61.5	-178.6	176	0	0	113.6	M266	E264-M266 PolarHBondContact O-N 2.73Å
265	D	95.3	Very high	96.6	Very high	169 Å²	169	70.7 Å²	70.7	90%	0.904	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.5	-179.7	-68.4	-37.9	0	0	0	113.1	G263	G263-D265 VanDerWaalsContact C-N 3.31Å; G263-D265 PolarHBondContact O-N 2.81Å
266	M	96	Very high	96.5	Very high	83 Å²	83	71.2 Å²	71.2	41%	0.409	38%	0.378	S	S	.	.	S	Bend	trans	-108.7	111.2	174.9	-172.1	-178.4	-98.6	0	0	109.5	W260 Y262 G263 E264 F268 L272	W260-M266 HydrophobicContact CH2-SD 4.38Å; W260-M266 HydrophobicContact CZ2-CB 4.38Å; W260-M266 HydrophobicContact CZ2-CG 3.86Å; W260-M266 HydrophobicContact CZ2-SD 3.77Å; W260-M266 PolarHBondContact NE1-O 2.95Å; Y262-M266 HydrophobicContact CD1-SD 4.31Å; Y262-M266 HydrophobicContact CD2-SD 4.11Å; Y262-M266 HydrophobicContact CG-SD 3.77Å; G263-M266 PolarHBondContact O-N 2.78Å; E264-M266 PolarHBondContact O-N 2.73Å; M266-F268 PolarHBondContact O-N 2.96Å; M266-L272 HydrophobicContact SD-CD1 4.41Å
267	P	96.2	Very high	96.6	Very high	104 Å²	104	71 Å²	71	68%	0.675	37%	0.374	S	S	*	.			trans	-55.3	140.2	174.8	-26.7	33.9	0	0	0	112.1	W260 R269	W260-P267 WeakPolarHBondContact CZ2-O 3.45Å; P267-R269 PolarHBondContact O-N 3.13Å
268	F	97.1	Very high	96.6	Very high	51 Å²	51	70.2 Å²	70.2	22%	0.224	37%	0.371	C	S	.	.			trans	-53.8	131.9	178.1	174.9	-94.4	0	0	0	111.9	H246 E248 W260 M266 D270 M273	H246-F268 WeakPolarHBondContact O-CE1 3.33Å; E248-F268 HydrophobicContact CB-CB 3.93Å; E248-F268 HydrophobicContact CB-CD1 4.22Å; E248-F268 HydrophobicContact CB-CD2 3.69Å; E248-F268 HydrophobicContact CB-CE2 4.24Å; E248-F268 HydrophobicContact CB-CG 3.67Å; E248-F268 HydrophobicContact CG-CB 4.15Å; E248-F268 HydrophobicContact CG-CD2 3.84Å; E248-F268 HydrophobicContact CG-CG 4.14Å; E248-F268 WeakPolarHBondContact OE2-CB 3.45Å; W260-F268 HydrophobicContact CB-CD2 4.41Å; W260-F268 AromaticContact CD2-CD2 3.95Å; W260-F268 HydrophobicContact CD2-CD2 3.95Å; W260-F268 AromaticContact CE3-CD2 3.56Å; W260-F268 HydrophobicContact CE3-CD2 3.56Å; W260-F268 HydrophobicContact CE3-CE2 4.03Å; W260-F268 HydrophobicContact CG-CD2 4.34Å; W260-F268 HydrophobicContact CZ3-CD2 4.07Å; W260-F268 HydrophobicContact CZ3-CE2 4.43Å; M266-F268 PolarHBondContact O-N 2.96Å; F268-D270 HydrophobicContact CE1-CB 3.98Å; F268-D270 HydrophobicContact CZ-CB 4.15Å; F268-M273 HydrophobicContact CE2-CB 4.33Å
269	R	96.6	Very high	96.6	Very high	136 Å²	136	71.3 Å²	71.3	51%	0.513	38%	0.375	S	S	.	.			trans	-134.2	114.6	172.8	-69.2	-176.7	64.3	-178.2	3.8	109.2	W260 P267 N271 L272 M273	W260-R269 HydrophobicContact CH2-CB 4.24Å; W260-R269 WeakPolarHBondContact CZ3-O 3.49Å; P267-R269 PolarHBondContact O-N 3.13Å; R269-N271 PolarHBondContact NE-OD1 3.19Å; R269-N271 PolarHBondContact O-N 3.36Å; R269-N271 VanDerWaalsContact O-N 3.1Å; R269-L272 HydrophobicContact CB-CB 4.24Å; R269-L272 HydrophobicContact CB-CD1 3.97Å; R269-L272 HydrophobicContact CB-CG 3.99Å; R269-L272 HydrophobicContact CG-CD1 4.45Å; R269-L272 PolarHBondContact O-N 3.22Å; R269-M273 PolarHBondContact O-N 3.32Å
270	D	96.2	Very high	96.7	Very high	41 Å²	41	68.7 Å²	68.7	22%	0.219	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-54.3	-37.2	-175.9	-171.8	50.5	0	0	0	113.3	K243 H246 F268 L272 M273	K243-D270 WeakPolarHBondContact CE-OD1 2.91Å; K243-D270 PolarHBondContact NZ-O 2.74Å; K243-D270 IonicContact NZ-OD1 2.66Å; K243-D270 PolarHBondContact NZ-OD1 2.86Å; K243-D270 IonicContact NZ-OD2 2.78Å; K243-D270 PolarHBondContact NZ-OD2 3.39Å; H246-D270 WeakPolarHBondContact CA-OD1 3.32Å; H246-D270 IonicContact CE1-OD2 3.22Å; H246-D270 IonicContact CG-OD2 3.94Å; H246-D270 IonicContact ND1-OD1 3.87Å; H246-D270 IonicContact ND1-OD2 2.9Å; H246-D270 PolarHBondContact ND1-OD2 3.4Å; F268-D270 HydrophobicContact CE1-CB 3.98Å; F268-D270 HydrophobicContact CZ-CB 4.15Å; D270-L272 PolarHBondContact O-N 3.38Å; D270-M273 PolarHBondContact O-N 2.04Å
271	N	96.5	Very high	96.7	Very high	109 Å²	109	67.7 Å²	67.7	58%	0.583	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-72.5	-11.9	-180	73.3	-74.4	0	0	0	114.2	R269	R269-N271 PolarHBondContact NE-OD1 3.19Å; R269-N271 PolarHBondContact O-N 3.36Å; R269-N271 VanDerWaalsContact O-N 3.1Å
272	L	96.7	Very high	96.8	Very high	58 Å²	58	64 Å²	64	30%	0.304	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-103.4	-10.9	176.5	-61.4	-176.3	0	0	0	112.1	W260 Y262 M266 R269 D270 P274	W260-L272 HydrophobicContact CH2-CB 3.81Å; W260-L272 HydrophobicContact CH2-CD1 4.41Å; W260-L272 HydrophobicContact CZ3-CB 4.12Å; Y262-L272 HydrophobicContact CE2-CB 4.25Å; Y262-L272 WeakPolarHBondContact CE2-O 3.17Å; Y262-L272 PolarHBondContact OH-O 3.14Å; M266-L272 HydrophobicContact SD-CD1 4.41Å; R269-L272 HydrophobicContact CB-CB 4.24Å; R269-L272 HydrophobicContact CB-CD1 3.97Å; R269-L272 HydrophobicContact CB-CG 3.99Å; R269-L272 HydrophobicContact CG-CD1 4.45Å; R269-L272 PolarHBondContact O-N 3.22Å; D270-L272 PolarHBondContact O-N 3.38Å; L272-P274 VanDerWaalsContact O-CD 3.3Å; L272-P274 WeakPolarHBondContact O-CD 3.3Å
273	M	97.6	Very high	97	Very high	18 Å²	18	59.6 Å²	59.6	9%	0.089	32%	0.317	C	S	.	.	S	Bend	trans	-66.1	120.3	179.1	-175.8	61.5	-165.6	0	0	110.1	K243 E257 Q258 L259 W260 F268 R269 D270 Y276	K243-M273 HydrophobicContact CD-CB 3.83Å; K243-M273 HydrophobicContact CD-CG 3.78Å; K243-M273 HydrophobicContact CG-CG 4.35Å; E257-M273 WeakPolarHBondContact O-CE 3.49Å; Q258-M273 VanDerWaalsContact C-CE 3.4Å; Q258-M273 VanDerWaalsContact O-CE 3.26Å; Q258-M273 WeakPolarHBondContact O-CE 3.39Å; L259-M273 WeakPolarHBondContact O-CE 3.39Å; W260-M273 HydrophobicContact CE3-SD 4.02Å; W260-M273 HydrophobicContact CZ3-CB 4.43Å; F268-M273 HydrophobicContact CE2-CB 4.33Å; R269-M273 PolarHBondContact O-N 3.32Å; D270-M273 PolarHBondContact O-N 2.04Å; M273-Y276 HydrophobicContact CE-CE1 4.3Å
274	P	97.4	Very high	97.3	Very high	60 Å²	60	57.6 Å²	57.6	39%	0.39	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-60	145.1	175.3	-24	35.9	0	0	0	111.7	P261 L272	P261-P274 HydrophobicContact CG-CG 4Å; L272-P274 VanDerWaalsContact O-CD 3.3Å; L272-P274 WeakPolarHBondContact O-CD 3.3Å
275	S	98	Very high	97.7	Very high	66 Å²	66	48.1 Å²	48.1	46%	0.462	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-83.2	155.9	172.5	-55	0	0	0	0	110.9	L241 V242	L241-S275 VanDerWaalsContact CB-CB 3.49Å; V242-S275 CarbonylContact O-C 3.56Å; V242-S275 VanDerWaalsContact O-CA 3.27Å; V242-S275 WeakPolarHBondContact O-CA 3.28Å; V242-S275 WeakPolarHBondContact O-CB 3.47Å
276	Y	98.3	Very high	97.8	Very high	11 Å²	11	40.7 Å²	40.7	4%	0.043	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-136	179.7	-176.4	42	-104	0	0	0	110.4	L241 V242 K243 C244 E257 Q258 M273 I280	L241-Y276 WeakPolarHBondContact CB-O 3.42Å; V242-Y276 HydrophobicContact CG2-CD2 3.84Å; V242-Y276 HydrophobicContact CG2-CE2 3.96Å; V242-Y276 WeakPolarHBondContact CG2-O 3.22Å; V242-Y276 PolarHBondContact N-O 3.24Å; V242-Y276 PolarHBondContact O-N 3.19Å; K243-Y276 HydrophobicContact CG-CE1 4.46Å; C244-Y276 VanDerWaalsContact CB-OH 3.29Å; C244-Y276 WeakPolarHBondContact CB-OH 3.28Å; C244-Y276 PolarHBondContact N-OH 3.43Å; E257-Y276 HydrophobicContact CG-CD1 4.38Å; E257-Y276 HydrophobicContact CG-CG 4.14Å; E257-Y276 WeakPolarHBondContact O-CD1 3.47Å; Q258-Y276 HydrophobicContact CB-CE1 4.19Å; Q258-Y276 HydrophobicContact CG-CD1 4.33Å; Q258-Y276 HydrophobicContact CG-CE1 3.86Å; Q258-Y276 HydrophobicContact CG-CE2 4.15Å; Q258-Y276 PolarHBondContact NE2-OH 2.71Å; M273-Y276 HydrophobicContact CE-CE1 4.3Å; Y276-I280 HydrophobicContact CD2-CD1 3.7Å; Y276-I280 HydrophobicContact CD2-CG2 3.54Å; Y276-I280 HydrophobicContact CE2-CD1 3.34Å; Y276-I280 HydrophobicContact CE2-CG2 4.06Å; Y276-I280 HydrophobicContact CG-CG2 3.97Å
277	D	98.4	Very high	98	Very high	31 Å²	31	39.5 Å²	39.5	17%	0.166	21%	0.208	C	C	.	.			trans	-115.5	-168	-174.2	67.3	18.8	0	0	0	112.4	V234 H236 L241 K279	V234-D277 HydrophobicContact CG1-CB 4.23Å; V234-D277 HydrophobicContact CG2-CB 4.39Å; H236-D277 IonicContact CE1-OD2 3.84Å; L241-D277 HydrophobicContact CD2-CB 3.98Å; D277-K279 PolarHBondContact O-N 3.43Å; D277-K279 WeakPolarHBondContact OD1-CB 3.34Å; D277-K279 VanDerWaalsContact OD1-CG 3.23Å; D277-K279 WeakPolarHBondContact OD1-CG 3.41Å; D277-K279 PolarHBondContact OD1-N 3.39Å
278	E	98.7	Very high	98.1	Very high	26 Å²	26	34.6 Å²	34.6	12%	0.121	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-10.1	-178.7	75.4	-75.6	172.7	0	0	114.5	H193 T199 V201 V234 H236 I280 D281	H193-E278 PolarHBondContact CE1-O 3.3Å; T199-E278 HydrophobicContact CG2-CB 3.71Å; T199-E278 HydrophobicContact CG2-CG 3.7Å; V201-E278 HydrophobicContact CG2-CB 3.78Å; V234-E278 WeakPolarHBondContact CG1-OE2 3.49Å; H236-E278 IonicContact CD2-OE2 3.29Å; H236-E278 IonicContact CE1-OE2 3.88Å; H236-E278 IonicContact NE2-OE1 3.88Å; H236-E278 PolarHBondContact NE2-OE1 3.15Å; H236-E278 IonicContact NE2-OE2 3.76Å; H236-E278 PolarHBondContact NE2-OE2 3.41Å; E278-I280 PolarHBondContact O-N 2.94Å; E278-I280 VanDerWaalsContact O-N 3.16Å; E278-D281 WeakPolarHBondContact O-CB 3.14Å; E278-D281 PolarHBondContact O-N 2.86Å
279	K	98.8	Very high	98.2	Very high	27 Å²	27	32.1 Å²	32.1	12%	0.117	17%	0.166	C	C	.	.	H	α-helix	trans	-67.9	-13.3	179.6	-63.1	-68	-172.9	164.7	0	113	D277 D281 I282 W283 P318 R321 P322	D277-K279 PolarHBondContact O-N 3.43Å; D277-K279 WeakPolarHBondContact OD1-CB 3.34Å; D277-K279 VanDerWaalsContact OD1-CG 3.23Å; D277-K279 WeakPolarHBondContact OD1-CG 3.41Å; D277-K279 PolarHBondContact OD1-N 3.39Å; K279-D281 PolarHBondContact O-N 3.4Å; K279-I282 HydrophobicContact CD-CG1 4.13Å; K279-I282 PolarHBondContact O-N 3.28Å; K279-W283 PolarHBondContact O-N 3.33Å; K279-W283 VanDerWaalsContact O-N 3.16Å; K279-P318 HydrophobicContact CB-CB 3.91Å; K279-P318 HydrophobicContact CG-CB 4.35Å; K279-P318 WeakPolarHBondContact CG-O 3.33Å; K279-R321 HydrophobicContact CD-CB 4.28Å; K279-R321 PolarHBondContact NZ-O 2.76Å; K279-R321 PolarHBondContact O-NH1 3.43Å; K279-P322 PolarHBondContact NZ-O 3.43Å
280	I	98.8	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-29	169.7	73	-179.9	0	0	0	112.3	V201 C244 A255 E257 Q258 Y276 E278 W283 K284	V201-I280 HydrophobicContact CG1-CD1 3.4Å; V201-I280 VanDerWaalsContact CG1-CD1 3.4Å; V201-I280 HydrophobicContact CG1-CG1 3.67Å; C244-I280 VanDerWaalsContact SG-CD1 3.56Å; A255-I280 HydrophobicContact CB-CB 4.08Å; A255-I280 HydrophobicContact CB-CG2 3.96Å; E257-I280 HydrophobicContact CG-CG2 4.06Å; E257-I280 WeakPolarHBondContact OE1-CG2 3.25Å; Q258-I280 HydrophobicContact CG-CB 4.32Å; Q258-I280 HydrophobicContact CG-CG2 3.84Å; Y276-I280 HydrophobicContact CD2-CD1 3.7Å; Y276-I280 HydrophobicContact CD2-CG2 3.54Å; Y276-I280 HydrophobicContact CE2-CD1 3.34Å; Y276-I280 HydrophobicContact CE2-CG2 4.06Å; Y276-I280 HydrophobicContact CG-CG2 3.97Å; E278-I280 PolarHBondContact O-N 2.94Å; E278-I280 VanDerWaalsContact O-N 3.16Å; I280-W283 WeakPolarHBondContact O-CB 3.27Å; I280-K284 WeakPolarHBondContact O-CE 3.33Å; I280-K284 WeakPolarHBondContact O-CG 3.46Å
281	D	98.9	Very high	98.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-71.4	-39.4	176.9	-66.7	-29.1	0	0	0	109.5	I189 H193 V201 M202 E278 K279 W283 K284 I285	I189-D281 HydrophobicContact CD1-CB 4.37Å; I189-D281 HydrophobicContact CG2-CB 3.86Å; H193-D281 IonicContact CD2-OD2 3.35Å; H193-D281 IonicContact CE1-OD2 2.92Å; H193-D281 IonicContact NE2-OD2 3.96Å; H193-D281 PolarHBondContact NE2-OD2 3.09Å; V201-D281 WeakPolarHBondContact CA-OD2 3.22Å; M202-D281 PolarHBondContact N-OD1 3.23Å; M202-D281 PolarHBondContact N-OD2 2.88Å; E278-D281 WeakPolarHBondContact O-CB 3.14Å; E278-D281 PolarHBondContact O-N 2.86Å; K279-D281 PolarHBondContact O-N 3.4Å; D281-W283 VanDerWaalsContact C-N 3.31Å; D281-W283 PolarHBondContact O-N 2.97Å; D281-K284 PolarHBondContact O-N 2.94Å; D281-K284 VanDerWaalsContact O-N 3.15Å; D281-I285 PolarHBondContact O-N 3.39Å
282	I	98.9	Very high	98.5	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-40.2	177.2	-52.6	-55.8	0	0	0	111.1	I189 K279 K284 I285 C313 R321 P322 A324	I189-I282 HydrophobicContact CG2-CD1 4.34Å; K279-I282 HydrophobicContact CD-CG1 4.13Å; K279-I282 PolarHBondContact O-N 3.28Å; I282-K284 PolarHBondContact O-N 2.91Å; I282-I285 HydrophobicContact CD1-CD1 3.89Å; I282-I285 HydrophobicContact CG2-CD1 4.45Å; I282-I285 WeakPolarHBondContact O-CB 3.22Å; I282-I285 PolarHBondContact O-N 3.32Å; I282-C313 HydrophobicContact CG2-CB 4.09Å; I282-C313 WeakPolarHBondContact O-CB 3.41Å; I282-R321 HydrophobicContact CB-CB 4.49Å; I282-R321 HydrophobicContact CG2-CB 4Å; I282-P322 HydrophobicContact CG2-CG 4.08Å; I282-A324 HydrophobicContact CD1-CB 3.84Å
283	W	98.9	Very high	98.5	Very high	19 Å²	19	20.3 Å²	20.3	7%	0.072	12%	0.115	C	C	.	.	H	α-helix	trans	-55	-34.5	176	175.4	-91	0	0	0	113.2	D252 F253 V254 A255 P256 K279 I280 D281 P286 K314	D252-W283 PolarHBondContact O-NE1 2.82Å; D252-W283 VanDerWaalsContact O-NE1 3.16Å; F253-W283 VanDerWaalsContact O-CD1 3.22Å; F253-W283 PolarHBondContact O-NE1 2.85Å; V254-W283 PolarHBondContact O-NE1 2.93Å; A255-W283 HydrophobicContact CB-CB 3.76Å; A255-W283 HydrophobicContact CB-CD2 4.1Å; A255-W283 HydrophobicContact CB-CG 3.65Å; P256-W283 HydrophobicContact CG-CE3 4.4Å; P256-W283 HydrophobicContact CG-CH2 3.69Å; P256-W283 HydrophobicContact CG-CZ2 4.16Å; P256-W283 HydrophobicContact CG-CZ3 3.81Å; K279-W283 PolarHBondContact O-N 3.33Å; K279-W283 VanDerWaalsContact O-N 3.16Å; I280-W283 WeakPolarHBondContact O-CB 3.27Å; D281-W283 VanDerWaalsContact C-N 3.31Å; D281-W283 PolarHBondContact O-N 2.97Å; W283-P286 WeakPolarHBondContact O-CD 3.48Å; W283-K314 HydrophobicContact CD2-CD 3.73Å; W283-K314 HydrophobicContact CE3-CB 4.49Å; W283-K314 HydrophobicContact CE3-CD 3.86Å; W283-K314 HydrophobicContact CG-CD 4.37Å; W283-K314 HydrophobicContact CH2-CB 4.47Å; W283-K314 HydrophobicContact CH2-CD 3.97Å; W283-K314 HydrophobicContact CZ2-CD 3.84Å; W283-K314 HydrophobicContact CZ3-CB 4.15Å; W283-K314 HydrophobicContact CZ3-CD 4Å; W283-K314 VanDerWaalsContact CZ3-O 3.27Å; W283-K314 WeakPolarHBondContact CZ3-O 3.27Å; W283-K314 VanDerWaalsContact NE1-NZ 3.16Å; W283-K314 WeakPolarHBondContact O-CE 3.34Å; W283-K314 PolarHBondContact O-NZ 3.16Å
284	K	98.9	Very high	98.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-85.2	-19.3	-174.1	-64.9	165	-169.5	170.2	0	113.1	S205 F253 Q258 I280 D281 I282 P286 D287 I288	S205-K284 WeakPolarHBondContact O-CE 3.24Å; S205-K284 PolarHBondContact O-NZ 2.8Å; S205-K284 PolarHBondContact OG-NZ 2.72Å; F253-K284 HydrophobicContact CE1-CD 4.08Å; F253-K284 HydrophobicContact CE1-CG 4.15Å; F253-K284 HydrophobicContact CZ-CB 4.39Å; F253-K284 HydrophobicContact CZ-CD 4.45Å; F253-K284 HydrophobicContact CZ-CG 4.26Å; Q258-K284 VanDerWaalsContact OE1-CE 3.28Å; I280-K284 WeakPolarHBondContact O-CE 3.33Å; I280-K284 WeakPolarHBondContact O-CG 3.46Å; D281-K284 PolarHBondContact O-N 2.94Å; D281-K284 VanDerWaalsContact O-N 3.15Å; I282-K284 PolarHBondContact O-N 2.91Å; K284-P286 VanDerWaalsContact C-CD 3.49Å; K284-P286 VanDerWaalsContact C-N 3.34Å; K284-D287 PolarHBondContact O-N 3.22Å; K284-D287 VanDerWaalsContact O-N 3.14Å; K284-I288 WeakPolarHBondContact O-CG1 3.48Å; K284-I288 PolarHBondContact O-N 2.67Å; K284-I288 VanDerWaalsContact O-N 3.14Å
285	I	98.9	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-49	-47.2	-178	-72.8	174.5	0	0	0	113	Y185 V186 D281 I282 D287 I288 S289 V327 Y331	Y185-I285 HydrophobicContact CE1-CG1 3.99Å; V186-I285 HydrophobicContact CG1-CD1 4.41Å; V186-I285 HydrophobicContact CG2-CD1 4.28Å; V186-I285 HydrophobicContact CG2-CG1 4.4Å; V186-I285 HydrophobicContact CG2-CG2 3.92Å; D281-I285 PolarHBondContact O-N 3.39Å; I282-I285 HydrophobicContact CD1-CD1 3.89Å; I282-I285 HydrophobicContact CG2-CD1 4.45Å; I282-I285 WeakPolarHBondContact O-CB 3.22Å; I282-I285 PolarHBondContact O-N 3.32Å; I285-D287 PolarHBondContact O-N 2.8Å; I285-I288 PolarHBondContact O-N 2.92Å; I285-S289 WeakPolarHBondContact O-CB 3.5Å; I285-S289 PolarHBondContact O-N 2.93Å; I285-S289 PolarHBondContact O-OG 3.31Å; I285-V327 HydrophobicContact CD1-CB 4.46Å; I285-V327 HydrophobicContact CD1-CG1 4.33Å; I285-V327 HydrophobicContact CD1-CG2 4.13Å; I285-V327 HydrophobicContact CG2-CG1 3.84Å; I285-Y331 WeakPolarHBondContact CG2-OH 3.32Å
286	P	98.9	Very high	98.3	Very high	12 Å²	12	23.6 Å²	23.6	8%	0.078	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-42.9	-179.2	-27.6	38.6	0	0	0	113.6	W283 K284 S289 S290 H310 C313 K314	W283-P286 WeakPolarHBondContact O-CD 3.48Å; K284-P286 VanDerWaalsContact C-CD 3.49Å; K284-P286 VanDerWaalsContact C-N 3.34Å; P286-S289 PolarHBondContact O-N 2.95Å; P286-S290 VanDerWaalsContact O-CB 3.27Å; P286-S290 WeakPolarHBondContact O-CB 3.42Å; P286-S290 PolarHBondContact O-N 3.25Å; P286-H310 HydrophobicContact CB-CB 3.96Å; P286-H310 HydrophobicContact CG-CB 3.93Å; P286-C313 HydrophobicContact CG-CB 3.67Å; P286-K314 HydrophobicContact CG-CG 4.22Å
287	D	98.8	Very high	98.1	Very high	58 Å²	58	31.9 Å²	31.9	31%	0.31	16%	0.158	S	C	.	.	H	α-helix	trans	-68	-45	-179.1	-59.4	-69.1	0	0	0	111.3	F253 K284 I285 S290 F291 K314	F253-D287 HydrophobicContact CD2-CB 3.99Å; F253-D287 HydrophobicContact CE2-CB 3.85Å; K284-D287 PolarHBondContact O-N 3.22Å; K284-D287 VanDerWaalsContact O-N 3.14Å; I285-D287 PolarHBondContact O-N 2.8Å; D287-S290 PolarHBondContact O-N 2.62Å; D287-F291 PolarHBondContact O-N 3.35Å; D287-K314 WeakPolarHBondContact OD2-CE 3.06Å; D287-K314 IonicContact OD2-NZ 3.55Å; D287-K314 PolarHBondContact OD2-NZ 2.91Å
288	I	98.8	Very high	98	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-43.7	177	-57.4	-44.1	0	0	0	110.8	Y185 L208 T211 F253 K284 I285 S290 F291 L292	Y185-I288 HydrophobicContact CD1-CB 4.17Å; Y185-I288 HydrophobicContact CD1-CG2 3.73Å; Y185-I288 HydrophobicContact CD2-CG2 3.89Å; Y185-I288 HydrophobicContact CE1-CB 3.77Å; Y185-I288 HydrophobicContact CE1-CG1 4.07Å; Y185-I288 HydrophobicContact CE1-CG2 3.75Å; Y185-I288 HydrophobicContact CE2-CB 4.49Å; Y185-I288 HydrophobicContact CE2-CG1 4.33Å; Y185-I288 HydrophobicContact CE2-CG2 3.9Å; Y185-I288 HydrophobicContact CG-CG2 3.81Å; L208-I288 HydrophobicContact CD1-CD1 3.33Å; T211-I288 HydrophobicContact CG2-CD1 3.83Å; T211-I288 HydrophobicContact CG2-CG1 4.16Å; F253-I288 HydrophobicContact CE2-CD1 3.81Å; F253-I288 HydrophobicContact CZ-CD1 3.75Å; K284-I288 WeakPolarHBondContact O-CG1 3.48Å; K284-I288 PolarHBondContact O-N 2.67Å; K284-I288 VanDerWaalsContact O-N 3.14Å; I285-I288 PolarHBondContact O-N 2.92Å; I288-S290 VanDerWaalsContact C-N 3.33Å; I288-S290 PolarHBondContact O-N 3.35Å; I288-F291 WeakPolarHBondContact O-CB 3.23Å; I288-F291 PolarHBondContact O-N 2.89Å; I288-L292 HydrophobicContact CG2-CD1 3.89Å; I288-L292 HydrophobicContact CG2-CG 4.33Å; I288-L292 WeakPolarHBondContact O-CB 3.39Å; I288-L292 VanDerWaalsContact O-CG 3.27Å; I288-L292 WeakPolarHBondContact O-CG 3.45Å; I288-L292 PolarHBondContact O-N 3.1Å
289	S	98.7	Very high	97.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-38.4	178.8	-58.1	0	0	0	0	111.3	I285 P286 F291 L292 L293 Y331	I285-S289 WeakPolarHBondContact O-CB 3.5Å; I285-S289 PolarHBondContact O-N 2.93Å; I285-S289 PolarHBondContact O-OG 3.31Å; P286-S289 PolarHBondContact O-N 2.95Å; S289-F291 VanDerWaalsContact C-N 3.34Å; S289-F291 PolarHBondContact O-N 2.98Å; S289-L292 PolarHBondContact O-N 3.03Å; S289-L293 WeakPolarHBondContact O-CB 3.39Å; S289-L293 WeakPolarHBondContact O-CG 3.33Å; S289-L293 PolarHBondContact O-N 3.11Å; S289-Y331 WeakPolarHBondContact CB-OH 3.5Å; S289-Y331 PolarHBondContact OG-OH 2.83Å
290	S	98.4	Very high	97.8	Very high	49 Å²	49	34.2 Å²	34.2	34%	0.343	18%	0.178	S	C	.	.	H	α-helix	trans	-62.5	-41.9	175.2	-169.5	0	0	0	0	111.7	P286 D287 I288 G294 R303	P286-S290 VanDerWaalsContact O-CB 3.27Å; P286-S290 WeakPolarHBondContact O-CB 3.42Å; P286-S290 PolarHBondContact O-N 3.25Å; D287-S290 PolarHBondContact O-N 2.62Å; I288-S290 VanDerWaalsContact C-N 3.33Å; I288-S290 PolarHBondContact O-N 3.35Å; S290-G294 PolarHBondContact O-N 3.25Å; S290-R303 PolarHBondContact O-NH2 3.16Å; S290-R303 PolarHBondContact OG-NE 3.17Å
291	F	98.4	Very high	97.6	Very high	46 Å²	46	37.9 Å²	37.9	20%	0.202	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-51.4	172.1	171.8	-93.6	0	0	0	111.4	L160 L208 L212 D287 I288 S289 L293 G294	L160-F291 HydrophobicContact CB-CE1 4.14Å; L160-F291 HydrophobicContact CB-CZ 4.3Å; L160-F291 HydrophobicContact CD2-CE1 4.07Å; L208-F291 HydrophobicContact CD1-CB 4.1Å; L208-F291 HydrophobicContact CD1-CG 4.28Å; L208-F291 HydrophobicContact CD2-CB 4.32Å; L208-F291 HydrophobicContact CD2-CD2 4.13Å; L208-F291 HydrophobicContact CD2-CG 4.43Å; L212-F291 HydrophobicContact CD1-CD1 3.77Å; L212-F291 HydrophobicContact CD1-CD2 4.12Å; L212-F291 HydrophobicContact CD1-CE1 3.46Å; L212-F291 VanDerWaalsContact CD1-CE1 3.46Å; L212-F291 HydrophobicContact CD1-CE2 3.82Å; L212-F291 HydrophobicContact CD1-CG 4.1Å; L212-F291 HydrophobicContact CD1-CZ 3.49Å; L212-F291 VanDerWaalsContact CD1-CZ 3.49Å; L212-F291 HydrophobicContact CD2-CD1 3.57Å; L212-F291 HydrophobicContact CD2-CE1 3.61Å; L212-F291 HydrophobicContact CD2-CG 4.43Å; L212-F291 HydrophobicContact CD2-CZ 4.48Å; L212-F291 HydrophobicContact CG-CD1 4.32Å; L212-F291 HydrophobicContact CG-CE1 4.18Å; D287-F291 PolarHBondContact O-N 3.35Å; I288-F291 WeakPolarHBondContact O-CB 3.23Å; I288-F291 PolarHBondContact O-N 2.89Å; S289-F291 VanDerWaalsContact C-N 3.34Å; S289-F291 PolarHBondContact O-N 2.98Å; F291-L293 VanDerWaalsContact C-N 3.31Å; F291-L293 PolarHBondContact O-N 3.42Å; F291-G294 PolarHBondContact O-N 2.86Å
292	L	98.6	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-40.3	-178.3	-72.7	173.6	0	0	0	112.5	L157 L160 R178 L181 A182 Y185 I223 I288 S289 G294	L157-L292 HydrophobicContact CD1-CD2 3.91Å; L157-L292 HydrophobicContact CD2-CD2 3.91Å; L157-L292 HydrophobicContact CG-CD2 4.11Å; L160-L292 HydrophobicContact CD2-CD2 3.45Å; L160-L292 VanDerWaalsContact CD2-CD2 3.45Å; R178-L292 WeakPolarHBondContact CB-O 3.32Å; R178-L292 WeakPolarHBondContact CD-O 3.43Å; R178-L292 WeakPolarHBondContact CG-O 3.34Å; R178-L292 PolarHBondContact NH1-O 3.33Å; L181-L292 HydrophobicContact CB-CD2 4.21Å; A182-L292 HydrophobicContact CB-CB 4.24Å; A182-L292 HydrophobicContact CB-CD1 4.18Å; Y185-L292 HydrophobicContact CG-CD1 4.49Å; I223-L292 HydrophobicContact CD1-CD1 4.01Å; I223-L292 HydrophobicContact CD1-CD2 4.04Å; I288-L292 HydrophobicContact CG2-CD1 3.89Å; I288-L292 HydrophobicContact CG2-CG 4.33Å; I288-L292 WeakPolarHBondContact O-CB 3.39Å; I288-L292 VanDerWaalsContact O-CG 3.27Å; I288-L292 WeakPolarHBondContact O-CG 3.45Å; I288-L292 PolarHBondContact O-N 3.1Å; S289-L292 PolarHBondContact O-N 3.03Å; L292-G294 PolarHBondContact O-N 3.37Å
293	L	98.3	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-25.9	176	-73	172.5	0	0	0	113.1	R178 L179 S289 F291 S299 V302 R303 L306	R178-L293 WeakPolarHBondContact CD-O 3.45Å; L179-L293 HydrophobicContact CB-CD2 4.16Å; L179-L293 HydrophobicContact CD1-CD2 4.46Å; S289-L293 WeakPolarHBondContact O-CB 3.39Å; S289-L293 WeakPolarHBondContact O-CG 3.33Å; S289-L293 PolarHBondContact O-N 3.11Å; F291-L293 VanDerWaalsContact C-N 3.31Å; F291-L293 PolarHBondContact O-N 3.42Å; L293-S299 WeakPolarHBondContact O-CB 3.47Å; L293-S299 PolarHBondContact O-OG 2.84Å; L293-V302 HydrophobicContact CD1-CG1 3.99Å; L293-V302 HydrophobicContact CD2-CB 4.25Å; L293-V302 HydrophobicContact CD2-CG1 3.73Å; L293-R303 HydrophobicContact CD1-CG 3.95Å; L293-L306 HydrophobicContact CD1-CD1 4.3Å
294	G	96.9	Very high	97.5	Very high	4 Å²	4	46.5 Å²	46.5	4%	0.041	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-169	177.7	0	0	0	0	0	114.4	S290 F291 L292 S299 R303	S290-G294 PolarHBondContact O-N 3.25Å; F291-G294 PolarHBondContact O-N 2.86Å; L292-G294 PolarHBondContact O-N 3.37Å; G294-S299 WeakPolarHBondContact O-CB 3.38Å; G294-R303 PolarHBondContact O-NH1 2.79Å; G294-R303 PolarHBondContact O-NH2 2.9Å
295	H	95.8	Very high	97.5	Very high	171 Å²	171	50.5 Å²	50.5	79%	0.792	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	67.2	179.9	-61.7	-68.2	0	0	0	110.7
296	I	95.2	Very high	97.4	Very high	39 Å²	39	50.5 Å²	50.5	20%	0.2	25%	0.251	C	S	.	.	S	Bend	trans	-118.9	167.3	176.2	64.5	163.9	0	0	0	110.8	T174 W175 R178 G298 S299	T174-I296 VanDerWaalsContact CA-CD1 3.5Å; W175-I296 HydrophobicContact CB-CD1 4.47Å; W175-I296 VanDerWaalsContact N-CD1 3.28Å; R178-I296 HydrophobicContact CG-CD1 4.37Å; I296-G298 PolarHBondContact O-N 2.66Å; I296-S299 WeakPolarHBondContact CG1-OG 3.24Å; I296-S299 WeakPolarHBondContact O-CB 3.46Å; I296-S299 PolarHBondContact O-N 3.32Å; I296-S299 VanDerWaalsContact O-N 3.12Å; I296-S299 PolarHBondContact O-OG 2.74Å
297	E	94.9	Very high	97.4	Very high	185 Å²	185	55.7 Å²	55.7	86%	0.864	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	130	175.8	-171.8	176.8	-178.1	0	0	111.3
298	G	94.8	Very high	97.4	Very high	22 Å²	22	58.9 Å²	58.9	23%	0.227	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-18.1	-177.5	0	0	0	0	0	115.3	I296 D300 M301 V302	I296-G298 PolarHBondContact O-N 2.66Å; G298-D300 VanDerWaalsContact C-N 3.34Å; G298-D300 PolarHBondContact O-N 2.66Å; G298-M301 WeakPolarHBondContact O-CB 3.46Å; G298-M301 PolarHBondContact O-N 2.82Å; G298-V302 WeakPolarHBondContact O-CG2 3.41Å; G298-V302 PolarHBondContact O-N 3.3Å; G298-V302 VanDerWaalsContact O-N 3.11Å
299	S	96.5	Very high	97.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-37.1	-178.4	-64.2	0	0	0	0	113.3	L293 G294 I296 M301 V302 R303	L293-S299 WeakPolarHBondContact O-CB 3.47Å; L293-S299 PolarHBondContact O-OG 2.84Å; G294-S299 WeakPolarHBondContact O-CB 3.38Å; I296-S299 WeakPolarHBondContact CG1-OG 3.24Å; I296-S299 WeakPolarHBondContact O-CB 3.46Å; I296-S299 PolarHBondContact O-N 3.32Å; I296-S299 VanDerWaalsContact O-N 3.12Å; I296-S299 PolarHBondContact O-OG 2.74Å; S299-M301 VanDerWaalsContact C-N 3.35Å; S299-V302 WeakPolarHBondContact O-CB 3.43Å; S299-V302 PolarHBondContact O-N 3.07Å; S299-R303 WeakPolarHBondContact O-CG 3.1Å; S299-R303 PolarHBondContact O-N 3.34Å
300	D	96.6	Very high	97.4	Very high	111 Å²	111	61 Å²	61	59%	0.594	30%	0.3	S	S	*	.	H	α-helix	trans	-70.7	-32.6	179.3	-66.9	-19.8	0	0	0	112.6	G298 V302 R303 F304	G298-D300 VanDerWaalsContact C-N 3.34Å; G298-D300 PolarHBondContact O-N 2.66Å; D300-V302 VanDerWaalsContact C-N 3.35Å; D300-R303 PolarHBondContact O-N 2.81Å; D300-R303 IonicContact OD1-CZ 3.19Å; D300-R303 IonicContact OD1-NH1 3.63Å; D300-R303 PolarHBondContact OD1-NH1 2.74Å; D300-F304 WeakPolarHBondContact O-CB 3.23Å; D300-F304 PolarHBondContact O-N 3.32Å
301	M	96.6	Very high	97.5	Very high	77 Å²	77	65.4 Å²	65.4	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-43.7	170.4	178	-168.5	64.4	0	0	110.5	W175 G298 S299 F304 H305 L338	W175-M301 HydrophobicContact CZ2-CE 4.47Å; G298-M301 WeakPolarHBondContact O-CB 3.46Å; G298-M301 PolarHBondContact O-N 2.82Å; S299-M301 VanDerWaalsContact C-N 3.35Å; M301-F304 WeakPolarHBondContact O-CB 3.39Å; M301-F304 PolarHBondContact O-N 2.54Å; M301-H305 PolarHBondContact O-CD2 2.88Å; M301-H305 PolarHBondContact O-N 2.94Å; M301-H305 VanDerWaalsContact O-N 3.16Å; M301-L338 HydrophobicContact CE-CB 4.47Å; M301-L338 HydrophobicContact CE-CD1 3.72Å; M301-L338 HydrophobicContact CE-CD2 3.51Å; M301-L338 HydrophobicContact CE-CG 4.09Å; M301-L338 HydrophobicContact CG-CD2 4.03Å; M301-L338 HydrophobicContact SD-CD2 3.58Å; M301-L338 VanDerWaalsContact SD-CD2 3.58Å
302	V	98.1	Very high	97.5	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-46.9	174.4	178.6	0	0	0	0	110.8	W175 L179 L293 G298 S299 D300 F304 H305 L306 V334 L338	W175-V302 HydrophobicContact CB-CG2 4.38Å; W175-V302 HydrophobicContact CD2-CG2 4.08Å; W175-V302 HydrophobicContact CE3-CG2 3.49Å; W175-V302 VanDerWaalsContact CE3-CG2 3.49Å; W175-V302 HydrophobicContact CG-CG2 4.47Å; W175-V302 HydrophobicContact CZ3-CG2 4.15Å; L179-V302 HydrophobicContact CD1-CG1 3.97Å; L179-V302 HydrophobicContact CD2-CG1 4.03Å; L179-V302 HydrophobicContact CG-CG1 4.43Å; L293-V302 HydrophobicContact CD1-CG1 3.99Å; L293-V302 HydrophobicContact CD2-CB 4.25Å; L293-V302 HydrophobicContact CD2-CG1 3.73Å; G298-V302 WeakPolarHBondContact O-CG2 3.41Å; G298-V302 PolarHBondContact O-N 3.3Å; G298-V302 VanDerWaalsContact O-N 3.11Å; S299-V302 WeakPolarHBondContact O-CB 3.43Å; S299-V302 PolarHBondContact O-N 3.07Å; D300-V302 VanDerWaalsContact C-N 3.35Å; V302-F304 VanDerWaalsContact C-N 3.27Å; V302-F304 PolarHBondContact O-N 3.43Å; V302-H305 PolarHBondContact O-N 3.03Å; V302-H305 VanDerWaalsContact O-N 3.13Å; V302-L306 HydrophobicContact CG1-CD1 3.78Å; V302-L306 HydrophobicContact CG1-CG 4.25Å; V302-L306 WeakPolarHBondContact O-CG 3.28Å; V302-L306 PolarHBondContact O-N 3.42Å; V302-V334 HydrophobicContact CG1-CG1 4.42Å; V302-L338 HydrophobicContact CG2-CD1 3.74Å
303	R	97.9	Very high	97.5	Very high	45 Å²	45	65 Å²	65	17%	0.17	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-40.8	176.8	-72.3	-178.7	-178.8	91.3	11	112.3	S290 L293 G294 S299 D300 L306 F307	S290-R303 PolarHBondContact O-NH2 3.16Å; S290-R303 PolarHBondContact OG-NE 3.17Å; L293-R303 HydrophobicContact CD1-CG 3.95Å; G294-R303 PolarHBondContact O-NH1 2.79Å; G294-R303 PolarHBondContact O-NH2 2.9Å; S299-R303 WeakPolarHBondContact O-CG 3.1Å; S299-R303 PolarHBondContact O-N 3.34Å; D300-R303 PolarHBondContact O-N 2.81Å; D300-R303 IonicContact OD1-CZ 3.19Å; D300-R303 IonicContact OD1-NH1 3.63Å; D300-R303 PolarHBondContact OD1-NH1 2.74Å; R303-L306 PolarHBondContact O-N 3.4Å; R303-F307 PolarHBondContact O-N 3.23Å; R303-F307 VanDerWaalsContact O-N 3.09Å
304	F	97.6	Very high	97.5	Very high	157 Å²	157	67.5 Å²	67.5	69%	0.689	33%	0.329	S	S	*	.	H	α-helix	trans	-59.6	-46.8	176.2	178.5	-98.1	0	0	0	111.8	D300 M301 V302 L306 F307	D300-F304 WeakPolarHBondContact O-CB 3.23Å; D300-F304 PolarHBondContact O-N 3.32Å; M301-F304 WeakPolarHBondContact O-CB 3.39Å; M301-F304 PolarHBondContact O-N 2.54Å; V302-F304 VanDerWaalsContact C-N 3.27Å; V302-F304 PolarHBondContact O-N 3.43Å; F304-L306 VanDerWaalsContact C-N 3.28Å; F304-L306 PolarHBondContact O-N 3.31Å; F304-F307 VanDerWaalsContact O-CB 3.29Å; F304-F307 WeakPolarHBondContact O-CB 3.41Å; F304-F307 PolarHBondContact O-N 3.23Å
305	H	98.1	Very high	97.6	Very high	83 Å²	83	68.3 Å²	68.3	38%	0.384	33%	0.334	S	S	.	.	H	α-helix	trans	-69.2	-23.7	177.9	-75.8	-72.1	0	0	0	114.1	M301 V302 V334	M301-H305 PolarHBondContact O-CD2 2.88Å; M301-H305 PolarHBondContact O-N 2.94Å; M301-H305 VanDerWaalsContact O-N 3.16Å; V302-H305 PolarHBondContact O-N 3.03Å; V302-H305 VanDerWaalsContact O-N 3.13Å; H305-V334 HydrophobicContact CB-CB 4.41Å; H305-V334 HydrophobicContact CB-CG1 3.72Å; H305-V334 HydrophobicContact CB-CG2 3.76Å
306	L	98.6	Very high	97.7	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-90.5	-2	176.8	-64.6	-179.8	0	0	0	113.8	L179 L293 V302 R303 F304 D308 I309 H310 T330 Y331 V334	L179-L306 HydrophobicContact CD1-CD1 4.21Å; L293-L306 HydrophobicContact CD1-CD1 4.3Å; V302-L306 HydrophobicContact CG1-CD1 3.78Å; V302-L306 HydrophobicContact CG1-CG 4.25Å; V302-L306 WeakPolarHBondContact O-CG 3.28Å; V302-L306 PolarHBondContact O-N 3.42Å; R303-L306 PolarHBondContact O-N 3.4Å; F304-L306 VanDerWaalsContact C-N 3.28Å; F304-L306 PolarHBondContact O-N 3.31Å; L306-D308 PolarHBondContact O-N 2.88Å; L306-I309 HydrophobicContact CB-CG2 4.3Å; L306-I309 HydrophobicContact CD2-CG2 4.15Å; L306-I309 WeakPolarHBondContact O-CG2 3.45Å; L306-I309 PolarHBondContact O-N 3.01Å; L306-H310 WeakPolarHBondContact O-CB 3.34Å; L306-H310 PolarHBondContact O-N 3.13Å; L306-T330 HydrophobicContact CD2-CG2 4.42Å; L306-Y331 HydrophobicContact CD1-CD1 4.1Å; L306-Y331 HydrophobicContact CD1-CE1 3.75Å; L306-Y331 HydrophobicContact CD2-CD1 3.33Å; L306-Y331 HydrophobicContact CD2-CE1 3.54Å; L306-Y331 HydrophobicContact CD2-CG 4.23Å; L306-Y331 HydrophobicContact CG-CD1 4.35Å; L306-Y331 HydrophobicContact CG-CE1 4.19Å; L306-V334 HydrophobicContact CD2-CB 4.17Å; L306-V334 HydrophobicContact CD2-CG1 4.42Å; L306-V334 HydrophobicContact CD2-CG2 3.78Å
307	F	98.5	Very high	97.9	Very high	122 Å²	122	67.2 Å²	67.2	54%	0.535	33%	0.333	S	S	.	.	H	α-helix	trans	-54.9	-48.8	-171.9	178.3	-95.9	0	0	0	113.3	R303 F304 H310 K311	R303-F307 PolarHBondContact O-N 3.23Å; R303-F307 VanDerWaalsContact O-N 3.09Å; F304-F307 VanDerWaalsContact O-CB 3.29Å; F304-F307 WeakPolarHBondContact O-CB 3.41Å; F304-F307 PolarHBondContact O-N 3.23Å; F307-H310 PolarHBondContact O-N 3.46Å; F307-K311 HydrophobicContact CE1-CD 4.2Å; F307-K311 VanDerWaalsContact O-CB 3.32Å; F307-K311 WeakPolarHBondContact O-CB 3.19Å; F307-K311 PolarHBondContact O-N 3.13Å
308	D	98.7	Very high	98	Very high	124 Å²	124	60.1 Å²	60.1	66%	0.663	30%	0.303	S	S	*	.	H	α-helix	trans	-66.9	-42.3	-175.1	-71.8	-28.8	0	0	0	112.4	L306 K311 A312	L306-D308 PolarHBondContact O-N 2.88Å; D308-K311 PolarHBondContact O-N 2.94Å; D308-A312 PolarHBondContact O-N 3.42Å
309	I	98.8	Very high	98.2	Very high	19 Å²	19	63.8 Å²	63.8	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-69.5	-38.2	178	-171.6	64.8	0	0	0	111.1	L306 K311 A312 C313 P322 V327 T330 Y331	L306-I309 HydrophobicContact CB-CG2 4.3Å; L306-I309 HydrophobicContact CD2-CG2 4.15Å; L306-I309 WeakPolarHBondContact O-CG2 3.45Å; L306-I309 PolarHBondContact O-N 3.01Å; I309-K311 VanDerWaalsContact C-N 3.35Å; I309-A312 PolarHBondContact O-N 2.92Å; I309-C313 PolarHBondContact O-N 3.26Å; I309-C313 PolarHBondContact O-SG 2.88Å; I309-P322 HydrophobicContact CD1-CB 4.03Å; I309-P322 HydrophobicContact CD1-CG 3.84Å; I309-V327 HydrophobicContact CD1-CG2 4.2Å; I309-V327 HydrophobicContact CG1-CB 4.42Å; I309-V327 HydrophobicContact CG1-CG2 4.02Å; I309-T330 HydrophobicContact CB-CG2 3.9Å; I309-T330 HydrophobicContact CG1-CG2 4.33Å; I309-T330 HydrophobicContact CG2-CG2 3.63Å; I309-Y331 HydrophobicContact CG2-CE1 4.41Å
310	H	98.8	Very high	98.3	Very high	27 Å²	27	69.8 Å²	69.8	13%	0.125	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-39.6	174.9	-75.9	-170.7	0	0	0	112	P286 L306 F307 A312 C313 K314 Y331	P286-H310 HydrophobicContact CB-CB 3.96Å; P286-H310 HydrophobicContact CG-CB 3.93Å; L306-H310 WeakPolarHBondContact O-CB 3.34Å; L306-H310 PolarHBondContact O-N 3.13Å; F307-H310 PolarHBondContact O-N 3.46Å; H310-A312 VanDerWaalsContact C-N 3.33Å; H310-C313 WeakPolarHBondContact O-CB 3.09Å; H310-C313 PolarHBondContact O-N 3.1Å; H310-K314 PolarHBondContact O-N 3.44Å; H310-Y331 AromaticContact NE2-CE1 3.7Å; H310-Y331 AromaticContact NE2-CZ 3.62Å; H310-Y331 PolarHBondContact NE2-OH 2.87Å
311	K	98.8	Very high	98.4	Very high	141 Å²	141	64.8 Å²	64.8	61%	0.613	33%	0.326	S	S	*	.	H	α-helix	trans	-61.9	-41.1	172.9	-176.5	-178.4	177.1	-174.7	0	111.6	F307 D308 I309 K314	F307-K311 HydrophobicContact CE1-CD 4.2Å; F307-K311 VanDerWaalsContact O-CB 3.32Å; F307-K311 WeakPolarHBondContact O-CB 3.19Å; F307-K311 PolarHBondContact O-N 3.13Å; D308-K311 PolarHBondContact O-N 2.94Å; I309-K311 VanDerWaalsContact C-N 3.35Å; K311-K314 CarbonylContact O-C 3.59Å; K311-K314 PolarHBondContact O-N 3.1Å; K311-K314 VanDerWaalsContact O-N 3.17Å
312	A	98.9	Very high	98.5	Very high	38 Å²	38	61.9 Å²	61.9	31%	0.314	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-40.4	175.9	0	0	0	0	0	112.3	D308 I309 H310 K314 S315 P322	D308-A312 PolarHBondContact O-N 3.42Å; I309-A312 PolarHBondContact O-N 2.92Å; H310-A312 VanDerWaalsContact C-N 3.33Å; A312-K314 PolarHBondContact O-N 3.48Å; A312-S315 PolarHBondContact O-N 2.91Å; A312-S315 VanDerWaalsContact O-N 3.1Å; A312-P322 HydrophobicContact CB-CG 4.39Å
313	C	98.9	Very high	98.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-30.6	172	-67.5	0	0	0	0	112.9	I282 P286 I309 H310 S315 R321	I282-C313 HydrophobicContact CG2-CB 4.09Å; I282-C313 WeakPolarHBondContact O-CB 3.41Å; P286-C313 HydrophobicContact CG-CB 3.67Å; I309-C313 PolarHBondContact O-N 3.26Å; I309-C313 PolarHBondContact O-SG 2.88Å; H310-C313 WeakPolarHBondContact O-CB 3.09Å; H310-C313 PolarHBondContact O-N 3.1Å; C313-S315 VanDerWaalsContact C-N 3.32Å; C313-S315 PolarHBondContact O-N 3.18Å; C313-R321 VanDerWaalsContact O-CD 3.24Å; C313-R321 WeakPolarHBondContact O-CD 3.47Å; C313-R321 WeakPolarHBondContact O-CG 3.39Å
314	K	98.7	Very high	98.6	Very high	53 Å²	53	62.4 Å²	62.4	23%	0.23	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	19.8	177.7	-65.2	-62.3	-168.1	-178.8	0	114	W283 P286 D287 H310 K311 A312 Q316	W283-K314 HydrophobicContact CD2-CD 3.73Å; W283-K314 HydrophobicContact CE3-CB 4.49Å; W283-K314 HydrophobicContact CE3-CD 3.86Å; W283-K314 HydrophobicContact CG-CD 4.37Å; W283-K314 HydrophobicContact CH2-CB 4.47Å; W283-K314 HydrophobicContact CH2-CD 3.97Å; W283-K314 HydrophobicContact CZ2-CD 3.84Å; W283-K314 HydrophobicContact CZ3-CB 4.15Å; W283-K314 HydrophobicContact CZ3-CD 4Å; W283-K314 VanDerWaalsContact CZ3-O 3.27Å; W283-K314 WeakPolarHBondContact CZ3-O 3.27Å; W283-K314 VanDerWaalsContact NE1-NZ 3.16Å; W283-K314 WeakPolarHBondContact O-CE 3.34Å; W283-K314 PolarHBondContact O-NZ 3.16Å; P286-K314 HydrophobicContact CG-CG 4.22Å; D287-K314 WeakPolarHBondContact OD2-CE 3.06Å; D287-K314 IonicContact OD2-NZ 3.55Å; D287-K314 PolarHBondContact OD2-NZ 2.91Å; H310-K314 PolarHBondContact O-N 3.44Å; K311-K314 CarbonylContact O-C 3.59Å; K311-K314 PolarHBondContact O-N 3.1Å; K311-K314 VanDerWaalsContact O-N 3.17Å; A312-K314 PolarHBondContact O-N 3.48Å; K314-Q316 PolarHBondContact O-N 3.29Å
315	S	98.7	Very high	98.6	Very high	21 Å²	21	58.2 Å²	58.2	15%	0.147	30%	0.303	C	S	.	.			trans	-61	136.3	169.8	-175.5	0	0	0	0	110.7	A312 C313 T317 E320 R321	A312-S315 PolarHBondContact O-N 2.91Å; A312-S315 VanDerWaalsContact O-N 3.1Å; C313-S315 VanDerWaalsContact C-N 3.32Å; C313-S315 PolarHBondContact O-N 3.18Å; S315-T317 PolarHBondContact O-N 3.24Å; S315-T317 PolarHBondContact OG-N 3.31Å; S315-T317 PolarHBondContact OG-O 3.26Å; S315-E320 PolarHBondContact OG-OE2 3.04Å; S315-R321 PolarHBondContact O-NE 3.05Å; S315-R321 PolarHBondContact O-NH2 2.97Å
316	Q	98.2	Very high	98.7	Very high	130 Å²	130	57.6 Å²	57.6	61%	0.607	30%	0.303	S	S	*	.	S	Bend	trans	-66.7	-29.2	174.8	-63.3	-63.7	-47.5	0	0	111.4	K314 P318	K314-Q316 PolarHBondContact O-N 3.29Å; Q316-P318 WeakPolarHBondContact O-CD 3.4Å
317	T	98.4	Very high	98.7	Very high	57 Å²	57	57.6 Å²	57.6	35%	0.35	30%	0.303	S	S	.	.	S	Bend	trans	-87.1	114.5	175.3	-52.8	0	0	0	0	109.1	S315 S319 E320	S315-T317 PolarHBondContact O-N 3.24Å; S315-T317 PolarHBondContact OG-N 3.31Å; S315-T317 PolarHBondContact OG-O 3.26Å; T317-S319 VanDerWaalsContact C-N 3.3Å; T317-S319 WeakPolarHBondContact CG2-OG 3.05Å; T317-S319 PolarHBondContact O-N 2.76Å; T317-E320 VanDerWaalsContact CB-CD 3.47Å; T317-E320 HydrophobicContact CG2-CG 3.86Å; T317-E320 PolarHBondContact O-N 3.12Å; T317-E320 VanDerWaalsContact O-N 3.07Å; T317-E320 PolarHBondContact OG1-OE1 3.19Å
318	P	98.5	Very high	98.7	Very high	36 Å²	36	53.2 Å²	53.2	23%	0.234	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-58.9	-38.6	-174.6	-26.3	35.8	0	0	0	113.8	E257 K279 Q316 E320 R321	E257-P318 HydrophobicContact CG-CG 4.31Å; E257-P318 WeakPolarHBondContact OE1-CG 3.29Å; K279-P318 HydrophobicContact CB-CB 3.91Å; K279-P318 HydrophobicContact CG-CB 4.35Å; K279-P318 WeakPolarHBondContact CG-O 3.33Å; Q316-P318 WeakPolarHBondContact O-CD 3.4Å; P318-E320 PolarHBondContact O-N 2.92Å; P318-R321 WeakPolarHBondContact O-CB 3.43Å; P318-R321 PolarHBondContact O-N 2.92Å; P318-R321 VanDerWaalsContact O-N 3.12Å
319	S	98	Very high	98.7	Very high	98 Å²	98	52.7 Å²	52.7	69%	0.685	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-68.5	-17.4	179.6	56.7	0	0	0	0	114.4	T317	T317-S319 VanDerWaalsContact C-N 3.3Å; T317-S319 WeakPolarHBondContact CG2-OG 3.05Å; T317-S319 PolarHBondContact O-N 2.76Å
320	E	98.6	Very high	98.7	Very high	127 Å²	127	53.8 Å²	53.8	59%	0.593	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-86.3	-13.6	174.8	-67.4	174.6	-170.8	0	0	112.7	S315 T317 P318	S315-E320 PolarHBondContact OG-OE2 3.04Å; T317-E320 VanDerWaalsContact CB-CD 3.47Å; T317-E320 HydrophobicContact CG2-CG 3.86Å; T317-E320 PolarHBondContact O-N 3.12Å; T317-E320 VanDerWaalsContact O-N 3.07Å; T317-E320 PolarHBondContact OG1-OE1 3.19Å; P318-E320 PolarHBondContact O-N 2.92Å
321	R	98.9	Very high	98.7	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.019	28%	0.28	C	S	.	.	S	Bend	trans	-69	144.7	176.5	-59.4	178.2	-166.2	143.2	10.9	109.5	E257 K279 I282 C313 S315 P318	E257-R321 IonicContact OE1-CZ 3.33Å; E257-R321 IonicContact OE1-NH1 2.81Å; E257-R321 PolarHBondContact OE1-NH1 3.35Å; E257-R321 IonicContact OE1-NH2 2.78Å; E257-R321 PolarHBondContact OE1-NH2 3.22Å; E257-R321 IonicContact OE2-CZ 3.74Å; E257-R321 IonicContact OE2-NH1 2.73Å; E257-R321 IonicContact OE2-NH2 2.65Å; E257-R321 PolarHBondContact OE2-NH2 3.05Å; K279-R321 HydrophobicContact CD-CB 4.28Å; K279-R321 PolarHBondContact NZ-O 2.76Å; K279-R321 PolarHBondContact O-NH1 3.43Å; I282-R321 HydrophobicContact CB-CB 4.49Å; I282-R321 HydrophobicContact CG2-CB 4Å; C313-R321 VanDerWaalsContact O-CD 3.24Å; C313-R321 WeakPolarHBondContact O-CD 3.47Å; C313-R321 WeakPolarHBondContact O-CG 3.39Å; S315-R321 PolarHBondContact O-NE 3.05Å; S315-R321 PolarHBondContact O-NH2 2.97Å; P318-R321 WeakPolarHBondContact O-CB 3.43Å; P318-R321 PolarHBondContact O-N 2.92Å; P318-R321 VanDerWaalsContact O-N 3.12Å
322	P	98.9	Very high	98.7	Very high	16 Å²	16	49.4 Å²	49.4	10%	0.104	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-61.6	170.7	176.7	26.9	-35.4	0	0	0	112.3	K279 I282 I309 A312 D326 V327	K279-P322 PolarHBondContact NZ-O 3.43Å; I282-P322 HydrophobicContact CG2-CG 4.08Å; I309-P322 HydrophobicContact CD1-CB 4.03Å; I309-P322 HydrophobicContact CD1-CG 3.84Å; A312-P322 HydrophobicContact CB-CG 4.39Å; P322-D326 HydrophobicContact CB-CB 3.88Å; P322-V327 HydrophobicContact CB-CG2 4.39Å; P322-V327 HydrophobicContact CG-CG2 3.96Å
323	T	98.8	Very high	98.6	Very high	56 Å²	56	54.7 Å²	54.7	34%	0.344	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-80.3	161.3	163.9	67.8	0	0	0	0	110.3	Q325 D326 V327	T323-Q325 PolarHBondContact O-N 3.21Å; T323-Q325 PolarHBondContact OG1-N 3.42Å; T323-D326 WeakPolarHBondContact CB-OD2 3.34Å; T323-D326 PolarHBondContact N-OD2 2.04Å; T323-D326 PolarHBondContact O-N 3.43Å; T323-D326 PolarHBondContact OG1-N 3.34Å; T323-D326 VanDerWaalsContact OG1-N 3.13Å; T323-D326 PolarHBondContact OG1-OD2 3.27Å; T323-V327 PolarHBondContact O-N 3.46Å
324	A	98.8	Very high	98.6	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-29.8	172.4	0	0	0	0	0	112	V186 I189 N190 I282 V327 L328	V186-A324 HydrophobicContact CG1-CB 4.42Å; V186-A324 VanDerWaalsContact CG1-O 3.25Å; V186-A324 WeakPolarHBondContact CG1-O 3.45Å; I189-A324 HydrophobicContact CB-CB 4.37Å; I189-A324 HydrophobicContact CG2-CB 3.97Å; N190-A324 HydrophobicContact CB-CB 3.71Å; I282-A324 HydrophobicContact CD1-CB 3.84Å; A324-V327 PolarHBondContact O-N 3.16Å; A324-L328 WeakPolarHBondContact O-CB 3.45Å; A324-L328 PolarHBondContact O-N 3.26Å
325	Q	98.8	Very high	98.5	Very high	68 Å²	68	52.7 Å²	52.7	32%	0.318	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-47	173.9	-176.4	61.3	39.5	0	0	111.8	N190 T323 V327 L328 E329	N190-Q325 PolarHBondContact ND2-OE1 3.33Å; T323-Q325 PolarHBondContact O-N 3.21Å; T323-Q325 PolarHBondContact OG1-N 3.42Å; Q325-V327 VanDerWaalsContact C-N 3.27Å; Q325-V327 PolarHBondContact O-N 2.87Å; Q325-L328 PolarHBondContact O-N 2.76Å; Q325-L328 VanDerWaalsContact O-N 3.13Å; Q325-E329 WeakPolarHBondContact CG-OE1 3.41Å; Q325-E329 PolarHBondContact NE2-OE1 3.46Å; Q325-E329 WeakPolarHBondContact O-CG 3.41Å; Q325-E329 PolarHBondContact O-N 3.29Å
326	D	98.9	Very high	98.3	Very high	71 Å²	71	54.9 Å²	54.9	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-38.6	177.8	-57	-50.8	0	0	0	111.8	P322 T323 T330	P322-D326 HydrophobicContact CB-CB 3.88Å; T323-D326 WeakPolarHBondContact CB-OD2 3.34Å; T323-D326 PolarHBondContact N-OD2 2.04Å; T323-D326 PolarHBondContact O-N 3.43Å; T323-D326 PolarHBondContact OG1-N 3.34Å; T323-D326 VanDerWaalsContact OG1-N 3.13Å; T323-D326 PolarHBondContact OG1-OD2 3.27Å; D326-T330 PolarHBondContact O-N 2.67Å; D326-T330 VanDerWaalsContact O-N 3.07Å; D326-T330 PolarHBondContact O-OG1 3.27Å
327	V	98.9	Very high	98.1	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-47.9	174.7	177.5	0	0	0	0	110.4	V186 I285 I309 P322 T323 A324 Q325 E329 T330 Y331	V186-V327 HydrophobicContact CG1-CB 3.94Å; V186-V327 HydrophobicContact CG1-CG1 3.82Å; V186-V327 HydrophobicContact CG2-CG1 3.91Å; I285-V327 HydrophobicContact CD1-CB 4.46Å; I285-V327 HydrophobicContact CD1-CG1 4.33Å; I285-V327 HydrophobicContact CD1-CG2 4.13Å; I285-V327 HydrophobicContact CG2-CG1 3.84Å; I309-V327 HydrophobicContact CD1-CG2 4.2Å; I309-V327 HydrophobicContact CG1-CB 4.42Å; I309-V327 HydrophobicContact CG1-CG2 4.02Å; P322-V327 HydrophobicContact CB-CG2 4.39Å; P322-V327 HydrophobicContact CG-CG2 3.96Å; T323-V327 PolarHBondContact O-N 3.46Å; A324-V327 PolarHBondContact O-N 3.16Å; Q325-V327 VanDerWaalsContact C-N 3.27Å; Q325-V327 PolarHBondContact O-N 2.87Å; V327-E329 VanDerWaalsContact C-N 3.34Å; V327-E329 PolarHBondContact O-N 3.46Å; V327-T330 WeakPolarHBondContact O-CB 3.32Å; V327-T330 PolarHBondContact O-N 2.86Å; V327-Y331 HydrophobicContact CG1-CD1 3.99Å; V327-Y331 HydrophobicContact CG1-CE1 3.6Å; V327-Y331 HydrophobicContact CG1-CE2 4.45Å; V327-Y331 VanDerWaalsContact O-CD1 3.28Å; V327-Y331 WeakPolarHBondContact O-CD1 3.42Å; V327-Y331 PolarHBondContact O-N 3.07Å
328	L	98.7	Very high	97.9	Very high	30 Å²	30	49.6 Å²	49.6	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-43.1	-178.8	-175.6	60.9	0	0	0	111.8	M183 V186 S187 A324 Q325 T330 Y331 Q332	M183-L328 HydrophobicContact CB-CD1 4.02Å; M183-L328 HydrophobicContact CE-CD1 4.11Å; M183-L328 HydrophobicContact CG-CD1 4.33Å; V186-L328 HydrophobicContact CG1-CB 4Å; S187-L328 WeakPolarHBondContact OG-CD1 3.43Å; A324-L328 WeakPolarHBondContact O-CB 3.45Å; A324-L328 PolarHBondContact O-N 3.26Å; Q325-L328 PolarHBondContact O-N 2.76Å; Q325-L328 VanDerWaalsContact O-N 3.13Å; L328-T330 VanDerWaalsContact C-N 3.31Å; L328-T330 PolarHBondContact O-N 2.82Å; L328-Y331 PolarHBondContact O-N 3.25Å; L328-Q332 WeakPolarHBondContact O-CB 3.39Å; L328-Q332 PolarHBondContact O-N 3.31Å
329	E	98.8	Very high	97.4	Very high	112 Å²	112	53.1 Å²	53.1	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-40.6	175.2	-73.1	175.1	-167.5	0	0	111.7	Q325 V327 Q332 K333	Q325-E329 WeakPolarHBondContact CG-OE1 3.41Å; Q325-E329 PolarHBondContact NE2-OE1 3.46Å; Q325-E329 WeakPolarHBondContact O-CG 3.41Å; Q325-E329 PolarHBondContact O-N 3.29Å; V327-E329 VanDerWaalsContact C-N 3.34Å; V327-E329 PolarHBondContact O-N 3.46Å; E329-Q332 PolarHBondContact O-N 2.84Å; E329-K333 WeakPolarHBondContact O-CB 3.26Å; E329-K333 PolarHBondContact O-N 3.33Å
330	T	98.8	Very high	96.8	Very high	43 Å²	43	53.6 Å²	53.6	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-43.1	175.2	-56.4	0	0	0	0	111.4	L306 I309 D326 V327 L328 Q332 K333 V334	L306-T330 HydrophobicContact CD2-CG2 4.42Å; I309-T330 HydrophobicContact CB-CG2 3.9Å; I309-T330 HydrophobicContact CG1-CG2 4.33Å; I309-T330 HydrophobicContact CG2-CG2 3.63Å; D326-T330 PolarHBondContact O-N 2.67Å; D326-T330 VanDerWaalsContact O-N 3.07Å; D326-T330 PolarHBondContact O-OG1 3.27Å; V327-T330 WeakPolarHBondContact O-CB 3.32Å; V327-T330 PolarHBondContact O-N 2.86Å; L328-T330 VanDerWaalsContact C-N 3.31Å; L328-T330 PolarHBondContact O-N 2.82Å; T330-Q332 PolarHBondContact O-N 3.45Å; T330-K333 PolarHBondContact O-N 3.34Å; T330-V334 WeakPolarHBondContact O-CG2 3.26Å; T330-V334 PolarHBondContact O-N 2.59Å
331	Y	98.8	Very high	96.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-42.9	178.4	-78	23.1	0	0	0	111.4	L179 A182 M183 V186 I285 S289 L306 I309 H310 V327 L328 V334 L335	L179-Y331 HydrophobicContact CD1-CD2 4.06Å; L179-Y331 HydrophobicContact CD1-CG 4.29Å; A182-Y331 HydrophobicContact CB-CD2 4.29Å; A182-Y331 HydrophobicContact CB-CE2 3.79Å; M183-Y331 HydrophobicContact CG-CD2 3.71Å; M183-Y331 HydrophobicContact CG-CG 4.16Å; V186-Y331 HydrophobicContact CG2-CD2 4.37Å; V186-Y331 HydrophobicContact CG2-CE2 3.84Å; I285-Y331 WeakPolarHBondContact CG2-OH 3.32Å; S289-Y331 WeakPolarHBondContact CB-OH 3.5Å; S289-Y331 PolarHBondContact OG-OH 2.83Å; L306-Y331 HydrophobicContact CD1-CD1 4.1Å; L306-Y331 HydrophobicContact CD1-CE1 3.75Å; L306-Y331 HydrophobicContact CD2-CD1 3.33Å; L306-Y331 HydrophobicContact CD2-CE1 3.54Å; L306-Y331 HydrophobicContact CD2-CG 4.23Å; L306-Y331 HydrophobicContact CG-CD1 4.35Å; L306-Y331 HydrophobicContact CG-CE1 4.19Å; I309-Y331 HydrophobicContact CG2-CE1 4.41Å; H310-Y331 AromaticContact NE2-CE1 3.7Å; H310-Y331 AromaticContact NE2-CZ 3.62Å; H310-Y331 PolarHBondContact NE2-OH 2.87Å; V327-Y331 HydrophobicContact CG1-CD1 3.99Å; V327-Y331 HydrophobicContact CG1-CE1 3.6Å; V327-Y331 HydrophobicContact CG1-CE2 4.45Å; V327-Y331 VanDerWaalsContact O-CD1 3.28Å; V327-Y331 WeakPolarHBondContact O-CD1 3.42Å; V327-Y331 PolarHBondContact O-N 3.07Å; L328-Y331 PolarHBondContact O-N 3.25Å; Y331-V334 PolarHBondContact O-N 2.99Å; Y331-L335 WeakPolarHBondContact O-CB 3.46Å; Y331-L335 PolarHBondContact O-N 3.23Å
332	Q	98.4	Very high	95.1	Very high	75 Å²	75	52.9 Å²	52.9	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-47.3	175.5	-177.1	60.7	65.6	0	0	110.9	M183 L328 E329 T330 V334 L335 D336	M183-Q332 HydrophobicContact CE-CB 3.84Å; M183-Q332 VanDerWaalsContact CE-OE1 3.31Å; L328-Q332 WeakPolarHBondContact O-CB 3.39Å; L328-Q332 PolarHBondContact O-N 3.31Å; E329-Q332 PolarHBondContact O-N 2.84Å; T330-Q332 PolarHBondContact O-N 3.45Å; Q332-V334 VanDerWaalsContact C-N 3.31Å; Q332-V334 PolarHBondContact O-N 2.9Å; Q332-L335 WeakPolarHBondContact O-CB 3.19Å; Q332-L335 PolarHBondContact O-N 3.47Å; Q332-D336 VanDerWaalsContact NE2-CG 3.25Å; Q332-D336 PolarHBondContact NE2-OD1 3.3Å; Q332-D336 PolarHBondContact NE2-OD2 2.85Å; Q332-D336 VanDerWaalsContact O-CG 3.25Å; Q332-D336 PolarHBondContact O-N 3.1Å
333	K	98.2	Very high	93.7	Very high	149 Å²	149	57 Å²	57	65%	0.648	30%	0.295	S	S	*	.	H	α-helix	trans	-58.9	-41.4	176.6	-177	-179	178.1	-176.9	0	112.6	E329 T330 T337	E329-K333 WeakPolarHBondContact O-CB 3.26Å; E329-K333 PolarHBondContact O-N 3.33Å; T330-K333 PolarHBondContact O-N 3.34Å; K333-T337 VanDerWaalsContact O-CB 3.32Å; K333-T337 WeakPolarHBondContact O-CB 3.33Å; K333-T337 PolarHBondContact O-N 3.15Å; K333-T337 PolarHBondContact O-OG1 2.8Å
334	V	97.5	Very high	92.3	Very high	10 Å²	10	57 Å²	57	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-44.2	176.5	169.4	0	0	0	0	111	L179 V302 H305 L306 T330 Y331 Q332 D336 T337 L338	L179-V334 HydrophobicContact CD2-CG1 4.29Å; V302-V334 HydrophobicContact CG1-CG1 4.42Å; H305-V334 HydrophobicContact CB-CB 4.41Å; H305-V334 HydrophobicContact CB-CG1 3.72Å; H305-V334 HydrophobicContact CB-CG2 3.76Å; L306-V334 HydrophobicContact CD2-CB 4.17Å; L306-V334 HydrophobicContact CD2-CG1 4.42Å; L306-V334 HydrophobicContact CD2-CG2 3.78Å; T330-V334 WeakPolarHBondContact O-CG2 3.26Å; T330-V334 PolarHBondContact O-N 2.59Å; Y331-V334 PolarHBondContact O-N 2.99Å; Q332-V334 VanDerWaalsContact C-N 3.31Å; Q332-V334 PolarHBondContact O-N 2.9Å; V334-D336 VanDerWaalsContact C-N 3.33Å; V334-D336 PolarHBondContact O-N 2.97Å; V334-T337 PolarHBondContact O-N 3.21Å; V334-L338 HydrophobicContact CG1-CD1 3.71Å; V334-L338 HydrophobicContact CG1-CG 4.28Å; V334-L338 WeakPolarHBondContact O-CB 3.48Å; V334-L338 VanDerWaalsContact O-CG 3.27Å; V334-L338 WeakPolarHBondContact O-CG 3.35Å; V334-L338 PolarHBondContact O-N 3.44Å
335	L	96.6	Very high	90.6	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-57.5	-46.8	176.1	-179.7	63.3	0	0	0	111.5	W175 L179 M183 Y331 Q332 R339	W175-L335 HydrophobicContact CZ3-CD1 4.14Å; L179-L335 HydrophobicContact CD2-CB 3.85Å; L179-L335 HydrophobicContact CD2-CD1 4.04Å; M183-L335 HydrophobicContact SD-CD2 3.91Å; Y331-L335 WeakPolarHBondContact O-CB 3.46Å; Y331-L335 PolarHBondContact O-N 3.23Å; Q332-L335 WeakPolarHBondContact O-CB 3.19Å; Q332-L335 PolarHBondContact O-N 3.47Å; L335-R339 WeakPolarHBondContact O-CB 3.27Å; L335-R339 VanDerWaalsContact O-CG 3.22Å; L335-R339 WeakPolarHBondContact O-CG 3.35Å; L335-R339 PolarHBondContact O-N 3.38Å
336	D	95.7	Very high	88.8	Confident	67 Å²	67	61.9 Å²	61.9	36%	0.358	33%	0.327	S	S	.	.	H	α-helix	trans	-66.7	-46.7	-179.4	-63.6	-28.4	0	0	0	111.5	Q332 V334 L338 R339 D340	Q332-D336 VanDerWaalsContact NE2-CG 3.25Å; Q332-D336 PolarHBondContact NE2-OD1 3.3Å; Q332-D336 PolarHBondContact NE2-OD2 2.85Å; Q332-D336 VanDerWaalsContact O-CG 3.25Å; Q332-D336 PolarHBondContact O-N 3.1Å; V334-D336 VanDerWaalsContact C-N 3.33Å; V334-D336 PolarHBondContact O-N 2.97Å; D336-L338 VanDerWaalsContact C-N 3.33Å; D336-L338 PolarHBondContact O-N 2.88Å; D336-R339 PolarHBondContact O-N 3.45Å; D336-D340 PolarHBondContact O-N 3.44Å
337	T	94.3	Very high	87.1	Confident	70 Å²	70	65.1 Å²	65.1	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-44.4	178.8	-58.1	0	0	0	0	112	K333 V334 D340 A341	K333-T337 VanDerWaalsContact O-CB 3.32Å; K333-T337 WeakPolarHBondContact O-CB 3.33Å; K333-T337 PolarHBondContact O-N 3.15Å; K333-T337 PolarHBondContact O-OG1 2.8Å; V334-T337 PolarHBondContact O-N 3.21Å; T337-D340 PolarHBondContact O-N 2.78Å; T337-A341 PolarHBondContact O-N 2.9Å; T337-A341 VanDerWaalsContact O-N 3.16Å
338	L	92.4	Very high	85.4	Confident	6 Å²	6	73 Å²	73	3%	0.031	37%	0.371	C	S	.	.	H	α-helix	trans	-73.4	-32.7	-178.7	-69.1	177.4	0	0	0	112.5	W175 M301 V302 V334 D336 V342	W175-L338 HydrophobicContact CE3-CD1 4.36Å; W175-L338 HydrophobicContact CH2-CB 3.36Å; W175-L338 HydrophobicContact CH2-CD1 3.99Å; W175-L338 HydrophobicContact CH2-CG 4.34Å; W175-L338 HydrophobicContact CZ2-CB 4.05Å; W175-L338 HydrophobicContact CZ3-CB 3.96Å; W175-L338 HydrophobicContact CZ3-CD1 3.78Å; M301-L338 HydrophobicContact CE-CB 4.47Å; M301-L338 HydrophobicContact CE-CD1 3.72Å; M301-L338 HydrophobicContact CE-CD2 3.51Å; M301-L338 HydrophobicContact CE-CG 4.09Å; M301-L338 HydrophobicContact CG-CD2 4.03Å; M301-L338 HydrophobicContact SD-CD2 3.58Å; M301-L338 VanDerWaalsContact SD-CD2 3.58Å; V302-L338 HydrophobicContact CG2-CD1 3.74Å; V334-L338 HydrophobicContact CG1-CD1 3.71Å; V334-L338 HydrophobicContact CG1-CG 4.28Å; V334-L338 WeakPolarHBondContact O-CB 3.48Å; V334-L338 VanDerWaalsContact O-CG 3.27Å; V334-L338 WeakPolarHBondContact O-CG 3.35Å; V334-L338 PolarHBondContact O-N 3.44Å; D336-L338 VanDerWaalsContact C-N 3.33Å; D336-L338 PolarHBondContact O-N 2.88Å; L338-V342 WeakPolarHBondContact O-CG2 3.37Å; L338-V342 PolarHBondContact O-N 2.66Å
339	R	89.1	Confident	83.5	Confident	110 Å²	110	79.7 Å²	79.7	42%	0.415	40%	0.403	S	S	.	.	H	α-helix	trans	-63.3	-45.8	172.3	-78.4	172.3	175.9	-177.4	0.7	111.2	L335 D336 A341 V342 M343	L335-R339 WeakPolarHBondContact O-CB 3.27Å; L335-R339 VanDerWaalsContact O-CG 3.22Å; L335-R339 WeakPolarHBondContact O-CG 3.35Å; L335-R339 PolarHBondContact O-N 3.38Å; D336-R339 PolarHBondContact O-N 3.45Å; R339-A341 VanDerWaalsContact C-N 3.32Å; R339-A341 PolarHBondContact O-N 3.37Å; R339-V342 PolarHBondContact O-N 3.29Å; R339-M343 WeakPolarHBondContact O-CG 3.36Å; R339-M343 PolarHBondContact O-N 2.78Å
340	D	85.4	Confident	81.6	Confident	108 Å²	108	84 Å²	84	58%	0.578	43%	0.429	S	S	*	.	H	α-helix	trans	-62.5	-39.1	179.4	-73.3	-16.7	0	0	0	112.2	D336 T337 M343 S344	D336-D340 PolarHBondContact O-N 3.44Å; T337-D340 PolarHBondContact O-N 2.78Å; D340-M343 PolarHBondContact O-N 3.3Å; D340-S344 WeakPolarHBondContact O-CB 3.3Å; D340-S344 PolarHBondContact O-N 3.3Å; D340-S344 PolarHBondContact O-OG 2.78Å
341	A	82.8	Confident	80.8	Confident	44 Å²	44	86.1 Å²	86.1	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-64.9	-39	176.7	0	0	0	0	0	113.1	T337 R339 S344 Q345	T337-A341 PolarHBondContact O-N 2.9Å; T337-A341 VanDerWaalsContact O-N 3.16Å; R339-A341 VanDerWaalsContact C-N 3.32Å; R339-A341 PolarHBondContact O-N 3.37Å; A341-S344 PolarHBondContact O-OG 3.47Å; A341-Q345 WeakPolarHBondContact O-CG 3.44Å; A341-Q345 PolarHBondContact O-N 3.36Å
342	V	78	Confident	79.8	Confident	73 Å²	73	90.6 Å²	90.6	44%	0.442	46%	0.46	S	S	.	.	H	α-helix	trans	-69.1	-40.2	175.1	173.9	0	0	0	0	110.5	L338 R339 A346	L338-V342 WeakPolarHBondContact O-CG2 3.37Å; L338-V342 PolarHBondContact O-N 2.66Å; R339-V342 PolarHBondContact O-N 3.29Å; V342-A346 WeakPolarHBondContact O-CB 3.01Å; V342-A346 PolarHBondContact O-N 3.32Å
343	M	70	Confident	78.8	Confident	104 Å²	104	91.4 Å²	91.4	51%	0.512	47%	0.466	S	S	.	.	H	α-helix	trans	-67.3	-36.3	177.9	-71.9	-176.8	68.5	0	0	112.8	R339 D340 R347	R339-M343 WeakPolarHBondContact O-CG 3.36Å; R339-M343 PolarHBondContact O-N 2.78Å; D340-M343 PolarHBondContact O-N 3.3Å; M343-R347 VanDerWaalsContact O-CG 3.31Å; M343-R347 WeakPolarHBondContact O-CG 3.48Å; M343-R347 PolarHBondContact O-N 3.1Å; M343-R347 VanDerWaalsContact O-N 3.13Å
344	S	69.5	Low	77.6	Confident	55 Å²	55	88.1 Å²	88.1	39%	0.385	46%	0.456	S	S	.	.	H	α-helix	trans	-69	-43.7	176.3	62.6	0	0	0	0	111.9	D340 A341 A346 R347 E348	D340-S344 WeakPolarHBondContact O-CB 3.3Å; D340-S344 PolarHBondContact O-N 3.3Å; D340-S344 PolarHBondContact O-OG 2.78Å; A341-S344 PolarHBondContact O-OG 3.47Å; S344-A346 PolarHBondContact O-N 2.88Å; S344-R347 WeakPolarHBondContact O-CB 3.3Å; S344-R347 PolarHBondContact O-N 3.46Å; S344-R347 VanDerWaalsContact O-N 3.14Å; S344-E348 PolarHBondContact O-N 3.33Å
345	Q	64.3	Low	76.4	Confident	124 Å²	124	92.9 Å²	92.9	58%	0.579	48%	0.48	S	S	*	.	H	α-helix	trans	-61	-42.8	175	-73.3	178	-0.3	0	0	112.2	A341 R347 E348 M349	A341-Q345 WeakPolarHBondContact O-CG 3.44Å; A341-Q345 PolarHBondContact O-N 3.36Å; Q345-R347 VanDerWaalsContact C-N 3.27Å; Q345-R347 PolarHBondContact O-N 3.41Å; Q345-E348 PolarHBondContact O-N 3.34Å; Q345-M349 WeakPolarHBondContact O-CG 3.45Å; Q345-M349 PolarHBondContact O-N 3.39Å; Q345-M349 VanDerWaalsContact O-N 3.14Å
346	A	61	Low	75	Confident	47 Å²	47	99.1 Å²	99.1	39%	0.388	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-33.3	176	0	0	0	0	0	112.6	V342 S344 L350	V342-A346 WeakPolarHBondContact O-CB 3.01Å; V342-A346 PolarHBondContact O-N 3.32Å; S344-A346 PolarHBondContact O-N 2.88Å; A346-L350 WeakPolarHBondContact O-CG 3.48Å; A346-L350 PolarHBondContact O-N 3.32Å
347	R	61.1	Low	73.6	Confident	140 Å²	140	101.4 Å²	101.4	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-72.8	-31.9	174.9	-75.7	174.7	180	178	4	113.4	M343 S344 Q345 M349	M343-R347 VanDerWaalsContact O-CG 3.31Å; M343-R347 WeakPolarHBondContact O-CG 3.48Å; M343-R347 PolarHBondContact O-N 3.1Å; M343-R347 VanDerWaalsContact O-N 3.13Å; S344-R347 WeakPolarHBondContact O-CB 3.3Å; S344-R347 PolarHBondContact O-N 3.46Å; S344-R347 VanDerWaalsContact O-N 3.14Å; Q345-R347 VanDerWaalsContact C-N 3.27Å; Q345-R347 PolarHBondContact O-N 3.41Å; R347-M349 VanDerWaalsContact C-N 3.32Å
348	E	64.7	Low	72	Confident	166 Å²	166	103.8 Å²	103.8	78%	0.776	53%	0.53	S	S	*	.	H	α-helix	trans	-76.3	-21.3	176.3	-71.7	178.9	-177.2	0	0	112.7	S344 Q345	S344-E348 PolarHBondContact O-N 3.33Å; Q345-E348 PolarHBondContact O-N 3.34Å
349	M	59.2	Low	70.3	Confident	169 Å²	169	111.9 Å²	111.9	83%	0.833	57%	0.572	S	S	*	*	H	α-helix	trans	-88.4	-18	177.6	-69.8	-179.7	66.8	0	0	114.6	Q345 R347	Q345-M349 WeakPolarHBondContact O-CG 3.45Å; Q345-M349 PolarHBondContact O-N 3.39Å; Q345-M349 VanDerWaalsContact O-N 3.14Å; R347-M349 VanDerWaalsContact C-N 3.32Å
350	L	58.2	Low	68.6	Low	203 Å²	203	112.1 Å²	112.1	100%	1.063	59%	0.586	S	S	*	*			trans	-90.7	0	175	-71.8	170.7	0	0	0	110.6	A346	A346-L350 WeakPolarHBondContact O-CG 3.48Å; A346-L350 PolarHBondContact O-N 3.32Å

Retrieved 350 of 350 residues in 69.8 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).