A0A3Q0KHY6_SCHMA Loading...

Hemoglobinase AlphaSync

This protease is used by the parasite for degradation of the host globin.

AlphaFold DB , UniProt , Accession A0A3Q0KHY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 429 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	53.6	Low	60.4	Low	227 Å²	227	127.8 Å²	127.8	100%	1.118	65%	0.651	S	S	*	*				0	-16.1	0	-87.3	171.5	68	0	0	115
2	M	56.1	Low	60.5	Low	168 Å²	168	126 Å²	126	83%	0.828	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-15.7	-176.9	-80.3	174.8	74.5	0	0	116.6	S5	M2-S5 PolarHBondContact O-OG 2.75Å
3	L	53.4	Low	60.2	Low	152 Å²	152	125.9 Å²	125.9	80%	0.796	64%	0.638	S	S	*	*	H	α-helix	trans	-80.6	-20.3	-179.6	-79.1	156.3	0	0	0	113.7
4	F	52.8	Low	60.2	Low	168 Å²	168	124.3 Å²	124.3	74%	0.737	63%	0.63	S	S	*	*	H	α-helix	trans	-78.5	-22.8	178.3	-94.4	-85	0	0	0	113.4
5	S	66.9	Low	59.7	Low	67 Å²	67	123.3 Å²	123.3	47%	0.469	63%	0.626	S	S	.	*	H	α-helix	trans	-75.3	-34	-178.5	74.6	0	0	0	0	112.8	M2 F7 L8 I9	M2-S5 PolarHBondContact O-OG 2.75Å; S5-F7 VanDerWaalsContact C-N 3.35Å; S5-F7 PolarHBondContact O-N 2.7Å; S5-L8 PolarHBondContact O-N 2.74Å; S5-I9 WeakPolarHBondContact O-CD1 3.27Å; S5-I9 WeakPolarHBondContact O-CG1 3.46Å; S5-I9 PolarHBondContact O-N 3.12Å
6	L	61.9	Low	59.1	Low	119 Å²	119	121.3 Å²	121.3	62%	0.623	62%	0.617	S	S	*	*	H	α-helix	trans	-69.2	-32.8	178.9	-74.9	163.4	0	0	0	112.5	S10	L6-S10 PolarHBondContact O-N 2.92Å
7	F	63.5	Low	58.5	Low	148 Å²	148	120.1 Å²	120.1	65%	0.649	62%	0.617	S	S	*	*	H	α-helix	trans	-74.1	-30.9	179.8	-136.6	-87.5	0	0	0	112.7	S5 S10 I11	S5-F7 VanDerWaalsContact C-N 3.35Å; S5-F7 PolarHBondContact O-N 2.7Å; F7-S10 PolarHBondContact O-OG 3.13Å; F7-I11 HydrophobicContact CD1-CD1 3.91Å; F7-I11 HydrophobicContact CD1-CG1 4.49Å; F7-I11 HydrophobicContact CE1-CD1 4.28Å; F7-I11 WeakPolarHBondContact O-CG1 3.49Å; F7-I11 PolarHBondContact O-N 3.32Å
8	L	61.9	Low	57.8	Low	121 Å²	121	122.1 Å²	122.1	63%	0.634	62%	0.621	S	S	*	*	H	α-helix	trans	-71.9	-35.3	174.3	-104	110.7	0	0	0	112.4	S5 I11 L12	S5-L8 PolarHBondContact O-N 2.74Å; L8-I11 PolarHBondContact O-N 3.02Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 PolarHBondContact O-N 2.79Å
9	I	66.9	Low	56.9	Low	97 Å²	97	121.5 Å²	121.5	50%	0.497	63%	0.627	S	S	.	*	H	α-helix	trans	-67.9	-38.6	179.7	-64.2	165.4	0	0	0	110.8	S5 L12 H13	S5-I9 WeakPolarHBondContact O-CD1 3.27Å; S5-I9 WeakPolarHBondContact O-CG1 3.46Å; S5-I9 PolarHBondContact O-N 3.12Å; I9-L12 PolarHBondContact O-N 2.77Å; I9-H13 PolarHBondContact O-N 2.85Å
10	S	62.3	Low	56.1	Low	54 Å²	54	123.2 Å²	123.2	38%	0.378	63%	0.632	S	S	.	*	H	α-helix	trans	-68.9	-38.7	177.7	63.9	0	0	0	0	112.7	L6 F7 H13 I14	L6-S10 PolarHBondContact O-N 2.92Å; F7-S10 PolarHBondContact O-OG 3.13Å; S10-H13 PolarHBondContact O-N 2.76Å; S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.45Å; S10-I14 PolarHBondContact O-N 2.69Å
11	I	65.2	Low	55.4	Low	85 Å²	85	123.9 Å²	123.9	44%	0.436	64%	0.636	S	S	.	*	H	α-helix	trans	-66.6	-39.5	175.7	-66	170.4	0	0	0	110.9	F7 L8 H13 I14 L15	F7-I11 HydrophobicContact CD1-CD1 3.91Å; F7-I11 HydrophobicContact CD1-CG1 4.49Å; F7-I11 HydrophobicContact CE1-CD1 4.28Å; F7-I11 WeakPolarHBondContact O-CG1 3.49Å; F7-I11 PolarHBondContact O-N 3.32Å; L8-I11 PolarHBondContact O-N 3.02Å; I11-H13 PolarHBondContact O-N 2.99Å; I11-I14 PolarHBondContact O-N 3.48Å; I11-L15 HydrophobicContact CG2-CD1 3.83Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.12Å
12	L	61.2	Low	54.7	Low	106 Å²	106	119.4 Å²	119.4	56%	0.555	62%	0.617	S	S	*	*	H	α-helix	trans	-66.3	-37.7	177.8	-150.4	79.8	0	0	0	111.7	L8 I9 L15 L16	L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 PolarHBondContact O-N 2.79Å; I9-L12 PolarHBondContact O-N 2.77Å; L12-L15 PolarHBondContact O-N 2.86Å; L12-L16 HydrophobicContact CD2-CD1 4.3Å; L12-L16 HydrophobicContact CG-CD1 4.14Å; L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.34Å; L12-L16 PolarHBondContact O-N 3.24Å
13	H	57	Low	53.8	Low	125 Å²	125	118 Å²	118	58%	0.579	62%	0.618	S	S	*	*	H	α-helix	trans	-66.6	-38.8	172.7	-88.1	21.5	0	0	0	112.9	I9 S10 I11 L15 L16 V17	I9-H13 PolarHBondContact O-N 2.85Å; S10-H13 PolarHBondContact O-N 2.76Å; I11-H13 PolarHBondContact O-N 2.99Å; H13-L15 VanDerWaalsContact C-N 3.33Å; H13-L15 PolarHBondContact O-N 3.41Å; H13-L16 PolarHBondContact O-N 3.2Å; H13-V17 VanDerWaalsContact O-CB 3.31Å; H13-V17 WeakPolarHBondContact O-CB 3.36Å; H13-V17 WeakPolarHBondContact O-CG2 3.34Å; H13-V17 PolarHBondContact O-N 3.07Å
14	I	60.4	Low	53	Low	103 Å²	103	117.4 Å²	117.4	53%	0.528	62%	0.616	S	S	.	*	H	α-helix	trans	-67.9	-35.7	176.5	-65.8	165.5	0	0	0	111.1	S10 I11 K18	S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.45Å; S10-I14 PolarHBondContact O-N 2.69Å; I11-I14 PolarHBondContact O-N 3.48Å; I14-K18 WeakPolarHBondContact O-CB 3.49Å; I14-K18 PolarHBondContact O-N 2.66Å
15	L	53.4	Low	52.2	Low	109 Å²	109	119.8 Å²	119.8	57%	0.571	62%	0.621	S	S	*	*	H	α-helix	trans	-72.5	-37.8	175.4	-76.6	164.2	0	0	0	112.5	I11 L12 H13 K18 C19	I11-L15 HydrophobicContact CG2-CD1 3.83Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 2.86Å; H13-L15 VanDerWaalsContact C-N 3.33Å; H13-L15 PolarHBondContact O-N 3.41Å; L15-K18 PolarHBondContact O-N 3.02Å; L15-C19 WeakPolarHBondContact O-CB 3.49Å; L15-C19 PolarHBondContact O-N 3.28Å
16	L	49.6	Very low	50.5	Low	91 Å²	91	124.3 Å²	124.3	48%	0.476	64%	0.635	S	S	.	*	H	α-helix	trans	-69.6	-39.4	174.9	-86.5	153	0	0	0	112.2	L12 H13 K18 C19 Q20	L12-L16 HydrophobicContact CD2-CD1 4.3Å; L12-L16 HydrophobicContact CG-CD1 4.14Å; L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.34Å; L12-L16 PolarHBondContact O-N 3.24Å; H13-L16 PolarHBondContact O-N 3.2Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.17Å; L16-C19 CarbonylContact O-C 3.47Å; L16-C19 PolarHBondContact O-N 2.88Å; L16-C19 VanDerWaalsContact O-N 3.08Å; L16-Q20 PolarHBondContact O-N 3.01Å; L16-Q20 VanDerWaalsContact O-N 3.15Å
17	V	49.3	Very low	49.4	Very low	102 Å²	102	124 Å²	124	62%	0.618	64%	0.638	S	S	*	*	H	α-helix	trans	-69.9	-29.3	175.9	174.1	0	0	0	0	111.5	H13 C19	H13-V17 VanDerWaalsContact O-CB 3.31Å; H13-V17 WeakPolarHBondContact O-CB 3.36Å; H13-V17 WeakPolarHBondContact O-CG2 3.34Å; H13-V17 PolarHBondContact O-N 3.07Å; V17-C19 VanDerWaalsContact C-N 3.34Å
18	K	45.5	Very low	48.1	Very low	156 Å²	156	121 Å²	121	68%	0.678	64%	0.635	S	S	*	*	H	α-helix	trans	-77.6	-15.7	169	-80.6	-172.9	175.1	-176.1	0	114.2	I14 L15 L16	I14-K18 WeakPolarHBondContact O-CB 3.49Å; I14-K18 PolarHBondContact O-N 2.66Å; L15-K18 PolarHBondContact O-N 3.02Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.17Å
19	C	41.3	Very low	47.2	Very low	110 Å²	110	120.6 Å²	120.6	74%	0.743	63%	0.634	S	S	*	*	H	α-helix	trans	-94.1	-4.2	176	-143	0	0	0	0	113.1	L15 L16 V17	L15-C19 WeakPolarHBondContact O-CB 3.49Å; L15-C19 PolarHBondContact O-N 3.28Å; L16-C19 CarbonylContact O-C 3.47Å; L16-C19 PolarHBondContact O-N 2.88Å; L16-C19 VanDerWaalsContact O-N 3.08Å; V17-C19 VanDerWaalsContact C-N 3.34Å
20	Q	39.2	Very low	46.2	Very low	155 Å²	155	123.7 Å²	123.7	72%	0.724	65%	0.646	S	S	*	*			trans	-112.7	21.6	173.2	-74.1	-171.8	-33.4	0	0	113.3	L16 D22	L16-Q20 PolarHBondContact O-N 3.01Å; L16-Q20 VanDerWaalsContact O-N 3.15Å; Q20-D22 PolarHBondContact O-N 3.47Å
21	L	43	Very low	45.5	Very low	138 Å²	138	125.9 Å²	125.9	72%	0.723	66%	0.657	S	S	*	*	S	Bend	trans	-70.6	84.6	159.5	-101.5	147.3	0	0	0	108.3
22	D	38.6	Very low	45.2	Very low	134 Å²	134	125.4 Å²	125.4	72%	0.717	66%	0.658	S	S	*	*			trans	38.6	85.1	149.4	-62.7	-39.8	0	0	0	115.6	Q20 N24	Q20-D22 PolarHBondContact O-N 3.47Å; D22-N24 PolarHBondContact O-N 2.96Å
23	T	37.9	Very low	46	Very low	137 Å²	137	123 Å²	123	84%	0.84	65%	0.65	S	S	*	*	S	Bend	trans	-55.4	89.4	136.2	49.6	0	0	0	0	108.6
24	N	35.5	Very low	47.2	Very low	141 Å²	141	118.2 Å²	118.2	75%	0.754	63%	0.629	S	S	*	*			trans	179.1	59.7	145.4	-85.6	-14.6	0	0	0	107.8	D22 E26	D22-N24 PolarHBondContact O-N 2.96Å; N24-E26 PolarHBondContact O-N 2.66Å
25	Y	36	Very low	48.4	Very low	218 Å²	218	116.9 Å²	116.9	86%	0.855	62%	0.623	S	S	*	*			trans	-68.4	86.7	138.5	-125.1	-96.6	0	0	0	104.3	V27	Y25-V27 HydrophobicContact CD1-CG2 4.2Å; Y25-V27 PolarHBondContact O-N 3.32Å
26	E	31.5	Very low	50.3	Low	162 Å²	162	115.6 Å²	115.6	76%	0.757	62%	0.616	S	S	*	*			trans	-54.6	90.3	144.1	-77.9	-177.7	164.8	0	0	103.8	N24 S28	N24-E26 PolarHBondContact O-N 2.66Å; E26-S28 PolarHBondContact O-N 2.9Å
27	V	38.6	Very low	52.5	Low	113 Å²	113	111.6 Å²	111.6	69%	0.685	60%	0.595	S	S	*	*			trans	-55.2	94	143.7	179.2	0	0	0	0	101.2	Y25 D29	Y25-V27 HydrophobicContact CD1-CG2 4.2Å; Y25-V27 PolarHBondContact O-N 3.32Å; V27-D29 PolarHBondContact O-N 3.31Å
28	S	36.3	Very low	54.9	Low	85 Å²	85	107.7 Å²	107.7	59%	0.594	57%	0.569	S	S	*	*			trans	-46.2	104.6	149.6	38.6	0	0	0	0	102.4	E26 E30	E26-S28 PolarHBondContact O-N 2.9Å; S28-E30 PolarHBondContact O-N 2.95Å
29	D	43.3	Very low	57.4	Low	112 Å²	112	100.3 Å²	100.3	60%	0.599	54%	0.537	S	S	*	.			trans	-60.7	78.1	154.2	-167	15.4	0	0	0	102.2	V27 T31	V27-D29 PolarHBondContact O-N 3.31Å; D29-T31 HydrophobicContact CB-CG2 4.5Å; D29-T31 PolarHBondContact O-N 3.37Å
30	E	44.6	Very low	60.2	Low	161 Å²	161	95 Å²	95	75%	0.752	50%	0.502	S	S	*	.			trans	-55.1	84.8	149.6	-81.6	-168.5	167.7	0	0	101.5	S28 V32	S28-E30 PolarHBondContact O-N 2.95Å; E30-V32 WeakPolarHBondContact O-CA 3.4Å; E30-V32 WeakPolarHBondContact O-CG2 3.42Å; E30-V32 PolarHBondContact O-N 3.14Å
31	T	49	Very low	63	Low	101 Å²	101	87.7 Å²	87.7	62%	0.62	47%	0.467	S	S	*	.			trans	-53	101	177.8	49.3	0	0	0	0	103.3	D29 S33	D29-T31 HydrophobicContact CB-CG2 4.5Å; D29-T31 PolarHBondContact O-N 3.37Å; T31-S33 VanDerWaalsContact C-N 3.31Å; T31-S33 WeakPolarHBondContact O-CA 3.29Å; T31-S33 PolarHBondContact O-N 3.23Å
32	V	57.6	Low	65.7	Low	75 Å²	75	81.1 Å²	81.1	46%	0.455	43%	0.433	S	S	.	.			trans	-60.4	104.1	-171.8	172.8	0	0	0	0	104.3	E30 D34 K37 S291	E30-V32 WeakPolarHBondContact O-CA 3.4Å; E30-V32 WeakPolarHBondContact O-CG2 3.42Å; E30-V32 PolarHBondContact O-N 3.14Å; V32-D34 PolarHBondContact O-N 3.19Å; V32-K37 PolarHBondContact O-NZ 3.49Å; V32-S291 PolarHBondContact O-OG 2.89Å
33	S	77.6	Confident	68.6	Low	54 Å²	54	74.7 Å²	74.7	38%	0.378	40%	0.399	S	S	.	.			trans	-57.5	115.9	-163.1	155.5	0	0	0	0	109.8	T31 N35 N36	T31-S33 VanDerWaalsContact C-N 3.31Å; T31-S33 WeakPolarHBondContact O-CA 3.29Å; T31-S33 PolarHBondContact O-N 3.23Å; S33-N35 PolarHBondContact O-N 3.06Å; S33-N35 WeakPolarHBondContact OG-CB 3.42Å; S33-N35 PolarHBondContact OG-N 3.02Å; S33-N35 PolarHBondContact OG-ND2 2.83Å; S33-N35 VanDerWaalsContact OG-ND2 3.13Å; S33-N36 PolarHBondContact O-N 3.33Å
34	D	82.9	Confident	71.4	Confident	25 Å²	25	68.2 Å²	68.2	13%	0.134	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-66.2	-5	177	-67.1	-44.2	0	0	0	112.6	V32 N36 K37 G68 G290 S291	V32-D34 PolarHBondContact O-N 3.19Å; D34-N36 PolarHBondContact O-N 2.8Å; D34-K37 HydrophobicContact CB-CD 4.42Å; D34-K37 PolarHBondContact O-N 2.89Å; D34-K37 VanDerWaalsContact O-N 3.14Å; D34-K37 WeakPolarHBondContact OD1-CD 3.03Å; D34-K37 WeakPolarHBondContact OD1-CE 3.49Å; D34-K37 IonicContact OD1-NZ 3.86Å; D34-K37 PolarHBondContact OD1-NZ 2.87Å; D34-G68 WeakPolarHBondContact OD2-CA 3.48Å; D34-G290 WeakPolarHBondContact OD1-CA 3.34Å; D34-S291 PolarHBondContact OD1-N 2.78Å; D34-S291 VanDerWaalsContact OD1-N 3.07Å; D34-S291 PolarHBondContact OD1-OG 2.69Å
35	N	85.1	Confident	74.4	Confident	75 Å²	75	61.7 Å²	61.7	40%	0.401	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-64.4	-17.9	177.6	-61.6	-42.2	0	0	0	113.6	S33 K70 H73	S33-N35 PolarHBondContact O-N 3.06Å; S33-N35 WeakPolarHBondContact OG-CB 3.42Å; S33-N35 PolarHBondContact OG-N 3.02Å; S33-N35 PolarHBondContact OG-ND2 2.83Å; S33-N35 VanDerWaalsContact OG-ND2 3.13Å; N35-K70 WeakPolarHBondContact OD1-CE 3.15Å; N35-K70 PolarHBondContact OD1-NZ 3.31Å; N35-H73 PolarHBondContact O-CE1 3.19Å
36	N	93.2	Very high	77.4	Confident	82 Å²	82	53.5 Å²	53.5	44%	0.439	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-101.1	13.9	177.8	-61.1	-20.3	0	0	0	112.5	S33 D34 D142 D143	S33-N36 PolarHBondContact O-N 3.33Å; D34-N36 PolarHBondContact O-N 2.8Å; N36-D142 VanDerWaalsContact CA-OD1 3.27Å; N36-D142 WeakPolarHBondContact CA-OD1 3.37Å; N36-D142 CarbonylContact O-C 3.44Å; N36-D142 WeakPolarHBondContact O-CA 3.18Å; N36-D142 WeakPolarHBondContact O-CB 3.5Å; N36-D143 PolarHBondContact O-N 2.87Å
37	K	97.5	Very high	80.5	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.5	-176.8	-55.3	178.3	-165.9	166.5	0	109.4	V32 D34 I69 H73 D143 S286 E287 S291	V32-K37 PolarHBondContact O-NZ 3.49Å; D34-K37 HydrophobicContact CB-CD 4.42Å; D34-K37 PolarHBondContact O-N 2.89Å; D34-K37 VanDerWaalsContact O-N 3.14Å; D34-K37 WeakPolarHBondContact OD1-CD 3.03Å; D34-K37 WeakPolarHBondContact OD1-CE 3.49Å; D34-K37 IonicContact OD1-NZ 3.86Å; D34-K37 PolarHBondContact OD1-NZ 2.87Å; K37-I69 HydrophobicContact CB-CD1 4.48Å; K37-H73 VanDerWaalsContact O-CB 3.29Å; K37-H73 WeakPolarHBondContact O-CB 3.44Å; K37-H73 PolarHBondContact O-ND1 3.12Å; K37-D143 WeakPolarHBondContact CA-O 3.27Å; K37-S286 WeakPolarHBondContact CD-O 3.49Å; K37-S286 VanDerWaalsContact CE-O 3.23Å; K37-S286 WeakPolarHBondContact CE-O 3.1Å; K37-S286 PolarHBondContact NZ-O 3.23Å; K37-E287 WeakPolarHBondContact CD-O 3.25Å; K37-E287 WeakPolarHBondContact CG-O 3.39Å; K37-S291 PolarHBondContact NZ-OG 2.72Å
38	W	98.5	Very high	83.3	Confident	21 Å²	21	41.6 Å²	41.6	8%	0.08	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.1	179.1	-68.7	77.1	0	0	0	110.9	E72 H73 L136 K137 D142 D143 V144 F145	W38-E72 WeakPolarHBondContact CZ3-O 3.44Å; W38-H73 CarbonylContact C-O 3.59Å; W38-H73 WeakPolarHBondContact CA-O 3.31Å; W38-H73 HydrophobicContact CD2-CB 4.17Å; W38-H73 HydrophobicContact CE3-CB 4.11Å; W38-H73 AromaticContact CH2-CD2 3.61Å; W38-H73 AromaticContact CZ2-CD2 3.64Å; W38-H73 AromaticContact CZ2-NE2 3.83Å; W38-H73 HydrophobicContact CZ3-CB 4.44Å; W38-L136 HydrophobicContact CB-CD1 3.56Å; W38-L136 HydrophobicContact CD2-CD1 4.02Å; W38-L136 HydrophobicContact CE3-CD1 3.93Å; W38-L136 HydrophobicContact CG-CD1 3.9Å; W38-K137 HydrophobicContact CH2-CB 3.68Å; W38-K137 HydrophobicContact CH2-CD 4.4Å; W38-K137 HydrophobicContact CH2-CG 4.27Å; W38-K137 HydrophobicContact CZ2-CB 3.86Å; W38-K137 HydrophobicContact CZ3-CB 4.37Å; W38-D142 PolarHBondContact NE1-OD1 3.46Å; W38-D143 PolarHBondContact N-O 3.38Å; W38-V144 HydrophobicContact CB-CG2 4.3Å; W38-V144 CarbonylContact O-C 3.15Å; W38-V144 WeakPolarHBondContact O-CA 3.37Å; W38-F145 PolarHBondContact O-N 2.66Å
39	A	98.8	Very high	86.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.1	175.9	0	0	0	0	0	111.8	L64 H73 I74 I75 F145	A39-L64 HydrophobicContact CB-CD1 3.51Å; A39-H73 PolarHBondContact N-O 2.96Å; A39-I74 HydrophobicContact CB-CG1 4.27Å; A39-I74 HydrophobicContact CB-CG2 4.33Å; A39-I74 CarbonylContact O-C 3.48Å; A39-I74 WeakPolarHBondContact O-CA 3.13Å; A39-I75 PolarHBondContact O-N 2.83Å; A39-F145 CarbonylContact C-O 3.19Å; A39-F145 WeakPolarHBondContact CA-O 3.13Å; A39-F145 HydrophobicContact CB-CD1 4.38Å
40	V	98.9	Very high	88.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.9	168.9	-173.2	0	0	0	0	108	V42 I75 F121 V124 L125 L136 F145 I146 Y147	V40-V42 HydrophobicContact CG1-CG2 4.08Å; V40-I75 CarbonylContact C-O 3.58Å; V40-I75 WeakPolarHBondContact CA-O 3.47Å; V40-I75 HydrophobicContact CG1-CB 4.49Å; V40-I75 HydrophobicContact CG2-CB 4.39Å; V40-I75 HydrophobicContact CG2-CD1 4.26Å; V40-F121 HydrophobicContact CG1-CD2 4.25Å; V40-F121 HydrophobicContact CG1-CE2 3.91Å; V40-V124 HydrophobicContact CG1-CG1 4.26Å; V40-L125 HydrophobicContact CG1-CD2 4.48Å; V40-L125 HydrophobicContact CG2-CD2 4.11Å; V40-L136 HydrophobicContact CG2-CD1 4.37Å; V40-F145 PolarHBondContact N-O 3.47Å; V40-I146 HydrophobicContact CB-CG1 4.35Å; V40-I146 WeakPolarHBondContact O-CA 3.42Å; V40-Y147 PolarHBondContact O-N 3Å
41	L	99	Very high	91.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.4	-178.8	-51.4	-179.5	0	0	0	109.1	V57 A60 Y61 L64 I74 I75 T76 M77 F145 Y147	L41-V57 HydrophobicContact CB-CG1 3.99Å; L41-A60 HydrophobicContact CD1-CB 4.44Å; L41-Y61 HydrophobicContact CD1-CD2 4.32Å; L41-L64 HydrophobicContact CD1-CD1 4.25Å; L41-L64 HydrophobicContact CD2-CD1 3.91Å; L41-L64 HydrophobicContact CG-CD1 4.45Å; L41-I74 HydrophobicContact CD1-CG2 3.83Å; L41-I74 HydrophobicContact CG-CG2 4.06Å; L41-I75 PolarHBondContact N-O 2.86Å; L41-T76 WeakPolarHBondContact O-CA 3.2Å; L41-M77 PolarHBondContact O-N 2.82Å; L41-F145 HydrophobicContact CD2-CE1 4.28Å; L41-Y147 WeakPolarHBondContact CA-O 3.46Å; L41-Y147 HydrophobicContact CD2-CD1 4.18Å
42	V	99	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.8	-174.7	-172.7	0	0	0	0	111	V40 M77 F121 Y147 F148 T149 F159	V40-V42 HydrophobicContact CG1-CG2 4.08Å; V42-M77 CarbonylContact C-O 3.45Å; V42-M77 WeakPolarHBondContact CA-O 3.18Å; V42-M77 HydrophobicContact CB-CB 4.49Å; V42-M77 HydrophobicContact CG1-CB 4.2Å; V42-M77 HydrophobicContact CG2-CB 4.24Å; V42-M77 HydrophobicContact CG2-CG 4.42Å; V42-M77 HydrophobicContact CG2-SD 4.17Å; V42-F121 HydrophobicContact CG2-CD2 3.71Å; V42-F121 HydrophobicContact CG2-CE2 3.71Å; V42-Y147 PolarHBondContact N-O 3.21Å; V42-F148 HydrophobicContact CB-CD2 3.8Å; V42-F148 HydrophobicContact CB-CE2 4.41Å; V42-F148 HydrophobicContact CG1-CD2 3.72Å; V42-F148 HydrophobicContact CG1-CE2 3.83Å; V42-T149 PolarHBondContact O-N 3.24Å; V42-F159 HydrophobicContact CG1-CE1 3.69Å; V42-F159 HydrophobicContact CG1-CZ 3.92Å
43	A	98.9	Very high	95.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105.3	162.2	0	0	0	0	0	107.1	S45 H53 Q54 V57 M77 M78 T149	A43-S45 VanDerWaalsContact C-N 3.29Å; A43-S45 PolarHBondContact O-N 2.75Å; A43-H53 HydrophobicContact CB-CB 4.27Å; A43-H53 WeakPolarHBondContact CB-O 3.23Å; A43-Q54 HydrophobicContact CB-CG 3.89Å; A43-V57 HydrophobicContact CB-CB 4.32Å; A43-V57 HydrophobicContact CB-CG2 3.8Å; A43-M77 PolarHBondContact N-O 2.86Å; A43-M78 HydrophobicContact CB-CB 3.88Å; A43-T149 HydrophobicContact CB-CG2 4.49Å
44	G	98.4	Very high	96.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.			trans	-74.7	-15.4	-172.7	0	0	0	0	0	114	T149 D150 F159 P160	G44-T149 PolarHBondContact N-O 3.23Å; G44-D150 VanDerWaalsContact CA-OD2 3.26Å; G44-D150 WeakPolarHBondContact CA-OD2 3.26Å; G44-F159 CarbonylContact O-C 3.3Å; G44-F159 VanDerWaalsContact O-CA 3.24Å; G44-F159 WeakPolarHBondContact O-CA 3.37Å; G44-P160 WeakPolarHBondContact O-CD 3.31Å; G44-P160 WeakPolarHBondContact O-CG 3.45Å
45	S	98.2	Very high	97.5	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.028	9%	0.085	C	C	.	.			trans	-100.1	169.7	-176.5	69.1	0	0	0	0	114.7	A43 N50 H53 D150	A43-S45 VanDerWaalsContact C-N 3.29Å; A43-S45 PolarHBondContact O-N 2.75Å; S45-N50 WeakPolarHBondContact OG-CB 3.37Å; S45-H53 WeakPolarHBondContact CB-ND1 3.19Å; S45-H53 PolarHBondContact OG-ND1 2.74Å; S45-D150 VanDerWaalsContact CB-OD1 3.23Å; S45-D150 WeakPolarHBondContact CB-OD1 3.34Å; S45-D150 PolarHBondContact N-OD2 3Å
46	N	98.1	Very high	98.2	Very high	46 Å²	46	12.1 Å²	12.1	25%	0.246	7%	0.066	C	C	.	.			trans	-125.7	174	162.2	65	-7.3	0	0	0	111.8	N50 Y79 P160	N46-N50 PolarHBondContact O-ND2 3.06Å; N46-Y79 HydrophobicContact CB-CD1 3.7Å; N46-Y79 HydrophobicContact CB-CD2 3.75Å; N46-Y79 HydrophobicContact CB-CE1 4.07Å; N46-Y79 HydrophobicContact CB-CE2 4.1Å; N46-Y79 HydrophobicContact CB-CG 3.51Å; N46-P160 HydrophobicContact CB-CB 4.37Å
47	G	97.6	Very high	98.4	Very high	23 Å²	23	8.2 Å²	8.2	24%	0.237	5%	0.045	C	C	.	.	S	Bend	trans	84.5	147.2	173.4	0	0	0	0	0	114.3	F49 N50 D81	G47-F49 PolarHBondContact O-N 3.35Å; G47-F49 VanDerWaalsContact O-N 3.13Å; G47-N50 PolarHBondContact O-N 2.92Å; G47-D81 WeakPolarHBondContact CA-OD2 3.23Å; G47-D81 PolarHBondContact N-OD2 3.14Å
48	Y	97.7	Very high	98.5	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.012	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-57.1	-32.1	-175.2	-173.5	-107.8	0	0	0	114.3	N50 Y51 I82 N85 M87 N88 T232	Y48-N50 PolarHBondContact O-N 3.42Å; Y48-N50 VanDerWaalsContact O-N 3.12Å; Y48-Y51 HydrophobicContact CD2-CD2 4.2Å; Y48-Y51 AromaticContact CE2-CD2 3.84Å; Y48-Y51 HydrophobicContact CE2-CD2 3.84Å; Y48-Y51 HydrophobicContact CE2-CE2 4.27Å; Y48-Y51 WeakPolarHBondContact O-CB 3.3Å; Y48-Y51 PolarHBondContact O-N 2.98Å; Y48-Y51 VanDerWaalsContact O-N 3.1Å; Y48-I82 HydrophobicContact CD2-CG2 4.17Å; Y48-N85 HydrophobicContact CD2-CB 4.17Å; Y48-M87 VanDerWaalsContact CB-CE 3.44Å; Y48-M87 HydrophobicContact CD1-CB 3.52Å; Y48-M87 HydrophobicContact CD1-CE 4.08Å; Y48-M87 HydrophobicContact CD1-CG 4.33Å; Y48-M87 HydrophobicContact CD1-SD 3.9Å; Y48-M87 HydrophobicContact CD2-CB 4.02Å; Y48-M87 HydrophobicContact CE1-CB 3.67Å; Y48-M87 HydrophobicContact CE2-CB 4.2Å; Y48-M87 HydrophobicContact CG-CB 3.68Å; Y48-M87 HydrophobicContact CG-CE 4.03Å; Y48-M87 HydrophobicContact CG-SD 4.4Å; Y48-M87 PolarHBondContact OH-O 2.59Å; Y48-N88 HydrophobicContact CD2-CB 4.35Å; Y48-N88 HydrophobicContact CE2-CB 3.82Å; Y48-T232 HydrophobicContact CE1-CG2 4.27Å
49	F	96.8	Very high	98.5	Very high	43 Å²	43	6.9 Å²	6.9	19%	0.189	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-65.4	-13.5	177.2	-68	-96.8	0	0	0	113.4	G47 M87 T232 P316 T319 L320	G47-F49 PolarHBondContact O-N 3.35Å; G47-F49 VanDerWaalsContact O-N 3.13Å; F49-M87 HydrophobicContact CE2-CE 4.15Å; F49-M87 HydrophobicContact CE2-SD 4.26Å; F49-T232 PolarHBondContact O-OG1 3.14Å; F49-P316 HydrophobicContact CD1-CB 4.31Å; F49-T319 HydrophobicContact CD1-CG2 3.47Å; F49-T319 VanDerWaalsContact CD1-CG2 3.47Å; F49-T319 HydrophobicContact CE1-CG2 3.43Å; F49-T319 VanDerWaalsContact CE1-CG2 3.43Å; F49-T319 HydrophobicContact CG-CG2 4.36Å; F49-T319 HydrophobicContact CZ-CG2 4.25Å; F49-L320 HydrophobicContact CE1-CD2 4.34Å; F49-L320 HydrophobicContact CE1-CG 4.12Å; F49-L320 HydrophobicContact CZ-CD2 4.17Å; F49-L320 HydrophobicContact CZ-CG 4.43Å
50	N	98.1	Very high	98.5	Very high	24 Å²	24	6.9 Å²	6.9	13%	0.128	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-110.7	26.6	176.3	-62.7	-48.1	0	0	0	112.4	S45 N46 G47 Y48 R52 H53 H151	S45-N50 WeakPolarHBondContact OG-CB 3.37Å; N46-N50 PolarHBondContact O-ND2 3.06Å; G47-N50 PolarHBondContact O-N 2.92Å; Y48-N50 PolarHBondContact O-N 3.42Å; Y48-N50 VanDerWaalsContact O-N 3.12Å; N50-R52 VanDerWaalsContact C-N 3.25Å; N50-R52 PolarHBondContact O-N 3.01Å; N50-R52 VanDerWaalsContact O-N 3.15Å; N50-H53 PolarHBondContact O-N 3.16Å; N50-H151 PolarHBondContact OD1-NE2 3.11Å
51	Y	98.8	Very high	98.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-38.7	-52.5	177.4	-169.6	-72.4	0	0	0	114	Y48 H53 Q54 A55 I82 L94 F95 I230 T232 L234	Y48-Y51 HydrophobicContact CD2-CD2 4.2Å; Y48-Y51 AromaticContact CE2-CD2 3.84Å; Y48-Y51 HydrophobicContact CE2-CD2 3.84Å; Y48-Y51 HydrophobicContact CE2-CE2 4.27Å; Y48-Y51 WeakPolarHBondContact O-CB 3.3Å; Y48-Y51 PolarHBondContact O-N 2.98Å; Y48-Y51 VanDerWaalsContact O-N 3.1Å; Y51-H53 VanDerWaalsContact C-N 3.31Å; Y51-H53 PolarHBondContact O-N 2.97Å; Y51-Q54 PolarHBondContact O-N 3.3Å; Y51-A55 HydrophobicContact CD1-CB 3.95Å; Y51-A55 HydrophobicContact CE1-CB 3.83Å; Y51-A55 PolarHBondContact O-N 3.02Å; Y51-A55 VanDerWaalsContact O-N 3.09Å; Y51-I82 VanDerWaalsContact CA-CD1 3.47Å; Y51-I82 HydrophobicContact CD2-CG2 3.27Å; Y51-I82 HydrophobicContact CE2-CG2 3.72Å; Y51-I82 HydrophobicContact CG-CG2 3.91Å; Y51-L94 HydrophobicContact CD2-CD2 4.35Å; Y51-L94 HydrophobicContact CE1-CD2 4.21Å; Y51-L94 HydrophobicContact CE2-CD2 3.71Å; Y51-L94 VanDerWaalsContact OH-CA 3.3Å; Y51-L94 WeakPolarHBondContact OH-CA 3.45Å; Y51-F95 VanDerWaalsContact CE1-O 3.26Å; Y51-F95 WeakPolarHBondContact CE1-O 3.4Å; Y51-F95 PolarHBondContact OH-N 3.08Å; Y51-I230 HydrophobicContact CD2-CG2 4.43Å; Y51-I230 HydrophobicContact CE2-CD1 4.32Å; Y51-I230 HydrophobicContact CE2-CG2 4.4Å; Y51-T232 HydrophobicContact CD2-CG2 4.27Å; Y51-T232 HydrophobicContact CG-CG2 3.99Å; Y51-L234 HydrophobicContact CD1-CD2 4.14Å; Y51-L234 HydrophobicContact CE1-CD2 3.8Å
52	R	98.7	Very high	98.4	Very high	1 Å²	1	9.3 Å²	9.3	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-48.2	-43.3	-178.1	58.1	-173.2	-161	-66.4	-9.5	115.1	N50 Q54 A55 D56 C233 D236	N50-R52 VanDerWaalsContact C-N 3.25Å; N50-R52 PolarHBondContact O-N 3.01Å; N50-R52 VanDerWaalsContact O-N 3.15Å; R52-Q54 PolarHBondContact O-N 3.12Å; R52-A55 PolarHBondContact O-N 2.9Å; R52-D56 WeakPolarHBondContact O-CB 3.29Å; R52-D56 PolarHBondContact O-N 2.85Å; R52-C233 PolarHBondContact N-O 3.45Å; R52-D236 VanDerWaalsContact CD-CG 3.46Å; R52-D236 WeakPolarHBondContact CD-OD1 3.49Å; R52-D236 WeakPolarHBondContact CD-OD2 3.25Å; R52-D236 VanDerWaalsContact CG-OD2 3.25Å; R52-D236 WeakPolarHBondContact CG-OD2 3.35Å; R52-D236 IonicContact CZ-OD1 3.49Å; R52-D236 IonicContact NE-OD1 3.49Å; R52-D236 PolarHBondContact NE-OD1 3.38Å; R52-D236 IonicContact NE-OD2 3.99Å; R52-D236 PolarHBondContact NE-OD2 2.81Å; R52-D236 IonicContact NH2-OD1 2.72Å
53	H	98.9	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.7	-41.7	-175.1	-54.7	145.5	0	0	0	111.7	A43 S45 N50 Y51 V57 T149 D150 H151 D236	A43-H53 HydrophobicContact CB-CB 4.27Å; A43-H53 WeakPolarHBondContact CB-O 3.23Å; S45-H53 WeakPolarHBondContact CB-ND1 3.19Å; S45-H53 PolarHBondContact OG-ND1 2.74Å; N50-H53 PolarHBondContact O-N 3.16Å; Y51-H53 VanDerWaalsContact C-N 3.31Å; Y51-H53 PolarHBondContact O-N 2.97Å; H53-V57 PolarHBondContact O-N 2.91Å; H53-T149 HydrophobicContact CB-CG2 4.01Å; H53-T149 PolarHBondContact CD2-OG1 3.21Å; H53-T149 VanDerWaalsContact CD2-OG1 3.26Å; H53-T149 VanDerWaalsContact O-CG2 3.29Å; H53-T149 WeakPolarHBondContact O-CG2 3.36Å; H53-D150 IonicContact CE1-OD1 2.68Å; H53-D150 PolarHBondContact CE1-OD1 3.44Å; H53-D150 IonicContact ND1-OD1 3.56Å; H53-H151 AromaticContact CE1-CD2 3.96Å; H53-H151 AromaticContact CE1-NE2 3.86Å; H53-D236 IonicContact CD2-OD2 3.83Å; H53-D236 PolarHBondContact CD2-OD2 3.46Å; H53-D236 IonicContact NE2-OD2 3.56Å
54	Q	98.9	Very high	98.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-75	-35.3	177.1	-63.7	-173.5	33.8	0	0	111.6	A43 Y51 R52 V57 C58 M78 D81 I82 L94	A43-Q54 HydrophobicContact CB-CG 3.89Å; Y51-Q54 PolarHBondContact O-N 3.3Å; R52-Q54 PolarHBondContact O-N 3.12Å; Q54-V57 PolarHBondContact O-N 3.08Å; Q54-C58 WeakPolarHBondContact O-CB 3.48Å; Q54-C58 PolarHBondContact O-N 3.08Å; Q54-C58 PolarHBondContact O-SG 2.86Å; Q54-M78 HydrophobicContact CG-CB 4.36Å; Q54-D81 PolarHBondContact NE2-OD1 2.71Å; Q54-I82 HydrophobicContact CB-CD1 4.1Å; Q54-I82 HydrophobicContact CG-CD1 3.92Å; Q54-L94 HydrophobicContact CB-CD1 4.21Å
55	A	98.9	Very high	98.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.5	-43.1	175	0	0	0	0	0	112.2	Y51 R52 C58 H59 F95 N96 L234	Y51-A55 HydrophobicContact CD1-CB 3.95Å; Y51-A55 HydrophobicContact CE1-CB 3.83Å; Y51-A55 PolarHBondContact O-N 3.02Å; Y51-A55 VanDerWaalsContact O-N 3.09Å; R52-A55 PolarHBondContact O-N 2.9Å; A55-C58 WeakPolarHBondContact O-CB 3.48Å; A55-C58 PolarHBondContact O-N 3.15Å; A55-H59 PolarHBondContact O-N 3.42Å; A55-F95 WeakPolarHBondContact CB-O 3.45Å; A55-N96 HydrophobicContact CB-CB 4.47Å; A55-L234 VanDerWaalsContact CB-O 3.24Å; A55-L234 WeakPolarHBondContact CB-O 3.31Å
56	D	98.9	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.5	-44.6	176.6	-69.4	-21.4	0	0	0	111.3	R52 C58 H59 A60 N96 Y147 T149 A235 D236 S239 I243	R52-D56 WeakPolarHBondContact O-CB 3.29Å; R52-D56 PolarHBondContact O-N 2.85Å; D56-C58 VanDerWaalsContact C-N 3.32Å; D56-C58 PolarHBondContact O-N 3.48Å; D56-H59 PolarHBondContact O-N 3.49Å; D56-A60 VanDerWaalsContact O-CB 3.23Å; D56-A60 WeakPolarHBondContact O-CB 3.2Å; D56-A60 PolarHBondContact O-N 2.84Å; D56-N96 PolarHBondContact N-ND2 3.47Å; D56-N96 PolarHBondContact OD1-ND2 3.43Å; D56-Y147 HydrophobicContact CB-CE1 4.38Å; D56-Y147 WeakPolarHBondContact CB-OH 3.27Å; D56-T149 HydrophobicContact CB-CG2 4.44Å; D56-A235 VanDerWaalsContact OD1-CA 3.31Å; D56-A235 WeakPolarHBondContact OD1-CA 3.45Å; D56-A235 WeakPolarHBondContact OD1-CB 3.45Å; D56-D236 PolarHBondContact OD1-N 3.37Å; D56-D236 WeakPolarHBondContact OD2-CB 3.45Å; D56-D236 PolarHBondContact OD2-N 3.15Å; D56-S239 WeakPolarHBondContact OD2-CB 3.31Å; D56-S239 PolarHBondContact OD2-OG 3.14Å; D56-I243 HydrophobicContact CB-CD1 4.15Å; D56-I243 WeakPolarHBondContact O-CD1 3.29Å
57	V	98.9	Very high	97.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.4	-39.7	175.7	164.5	0	0	0	0	112	L41 A43 H53 Q54 Y61 T76 M78 Y147 T149	L41-V57 HydrophobicContact CB-CG1 3.99Å; A43-V57 HydrophobicContact CB-CB 4.32Å; A43-V57 HydrophobicContact CB-CG2 3.8Å; H53-V57 PolarHBondContact O-N 2.91Å; Q54-V57 PolarHBondContact O-N 3.08Å; V57-Y61 VanDerWaalsContact O-CB 3.31Å; V57-Y61 WeakPolarHBondContact O-CB 3.17Å; V57-Y61 PolarHBondContact O-N 2.82Å; V57-T76 HydrophobicContact CG1-CG2 3.69Å; V57-M78 HydrophobicContact CG1-SD 4.27Å; V57-Y147 HydrophobicContact CG2-CD1 4.32Å; V57-Y147 HydrophobicContact CG2-CE1 3.95Å; V57-T149 HydrophobicContact CG2-CG2 3.77Å
58	C	98.9	Very high	97.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.9	-47.1	175.5	-73.2	0	0	0	0	111.3	Q54 A55 D56 Y61 H62 W103 V107	Q54-C58 WeakPolarHBondContact O-CB 3.48Å; Q54-C58 PolarHBondContact O-N 3.08Å; Q54-C58 PolarHBondContact O-SG 2.86Å; A55-C58 WeakPolarHBondContact O-CB 3.48Å; A55-C58 PolarHBondContact O-N 3.15Å; D56-C58 VanDerWaalsContact C-N 3.32Å; D56-C58 PolarHBondContact O-N 3.48Å; C58-Y61 WeakPolarHBondContact O-CB 3.32Å; C58-Y61 PolarHBondContact O-N 3.1Å; C58-H62 PolarHBondContact O-CD2 2.68Å; C58-H62 PolarHBondContact O-N 3.25Å; C58-W103 HydrophobicContact CB-CB 3.86Å; C58-W103 VanDerWaalsContact CB-O 3.31Å; C58-W103 WeakPolarHBondContact CB-O 3.35Å; C58-V107 HydrophobicContact CB-CG2 4.1Å
59	H	98.5	Very high	97.6	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-63.5	-49.3	177.5	-171.6	-174.8	0	0	0	111.4	A55 D56 Y61 H62 V63 N96 W103 I243 Q247	A55-H59 PolarHBondContact O-N 3.42Å; D56-H59 PolarHBondContact O-N 3.49Å; H59-Y61 VanDerWaalsContact C-N 3.3Å; H59-Y61 PolarHBondContact O-N 2.86Å; H59-H62 PolarHBondContact O-N 3.06Å; H59-H62 VanDerWaalsContact O-N 3.09Å; H59-V63 PolarHBondContact O-N 3.06Å; H59-N96 HydrophobicContact CB-CB 4.06Å; H59-N96 PolarHBondContact ND1-OD1 3.34Å; H59-W103 HydrophobicContact CB-CD2 4.06Å; H59-W103 HydrophobicContact CB-CG 4.06Å; H59-W103 AromaticContact CD2-CD2 3.78Å; H59-W103 AromaticContact CD2-CE2 3.54Å; H59-W103 AromaticContact CD2-CE3 3.81Å; H59-W103 AromaticContact CD2-CH2 3.32Å; H59-W103 WeakPolarHBondContact CD2-CH2 3.24Å; H59-W103 AromaticContact CD2-CZ2 3.32Å; H59-W103 WeakPolarHBondContact CD2-CZ2 3.12Å; H59-W103 AromaticContact CD2-CZ3 3.59Å; H59-W103 AromaticContact CE1-CZ2 3.82Å; H59-W103 AromaticContact CG-CD2 3.96Å; H59-W103 AromaticContact CG-CE2 3.75Å; H59-W103 AromaticContact CG-CZ2 3.95Å; H59-W103 AromaticContact NE2-CE2 3.87Å; H59-W103 AromaticContact NE2-CH2 3.37Å; H59-W103 WeakPolarHBondContact NE2-CH2 3.23Å; H59-W103 AromaticContact NE2-CZ2 3.25Å; H59-W103 WeakPolarHBondContact NE2-CZ2 3.29Å; H59-I243 HydrophobicContact CB-CG2 4.23Å; H59-I243 WeakPolarHBondContact ND1-CG2 3.34Å; H59-Q247 PolarHBondContact NE2-OE1 3.19Å; H59-Q247 VanDerWaalsContact NE2-OE1 3.11Å
60	A	98.7	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-54.5	-44.1	175	0	0	0	0	0	112	L41 D56 H62 V63 L64 Y147 W242 I243	L41-A60 HydrophobicContact CD1-CB 4.44Å; D56-A60 VanDerWaalsContact O-CB 3.23Å; D56-A60 WeakPolarHBondContact O-CB 3.2Å; D56-A60 PolarHBondContact O-N 2.84Å; A60-H62 VanDerWaalsContact C-N 3.35Å; A60-H62 PolarHBondContact O-N 3.21Å; A60-V63 PolarHBondContact O-N 3.42Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.33Å; A60-Y147 HydrophobicContact CB-CD1 4.14Å; A60-Y147 HydrophobicContact CB-CE1 4.23Å; A60-W242 HydrophobicContact CB-CH2 3.76Å; A60-W242 HydrophobicContact CB-CZ2 4.11Å; A60-I243 HydrophobicContact CB-CD1 4.02Å; A60-I243 HydrophobicContact CB-CG1 4.14Å
61	Y	98.7	Very high	97.4	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-55.2	-50.4	175.8	178.2	-89.8	0	0	0	111.2	L41 V57 C58 H59 V63 L64 R65 I74 V107 V108	L41-Y61 HydrophobicContact CD1-CD2 4.32Å; V57-Y61 VanDerWaalsContact O-CB 3.31Å; V57-Y61 WeakPolarHBondContact O-CB 3.17Å; V57-Y61 PolarHBondContact O-N 2.82Å; C58-Y61 WeakPolarHBondContact O-CB 3.32Å; C58-Y61 PolarHBondContact O-N 3.1Å; H59-Y61 VanDerWaalsContact C-N 3.3Å; H59-Y61 PolarHBondContact O-N 2.86Å; Y61-V63 PolarHBondContact O-N 3.3Å; Y61-L64 PolarHBondContact O-N 3.03Å; Y61-R65 HydrophobicContact CD1-CG 3.88Å; Y61-R65 HydrophobicContact CE1-CG 3.53Å; Y61-R65 HydrophobicContact CE2-CG 4.38Å; Y61-R65 HydrophobicContact CG-CG 4.42Å; Y61-R65 WeakPolarHBondContact O-CB 3.47Å; Y61-R65 WeakPolarHBondContact O-CG 3.25Å; Y61-R65 PolarHBondContact O-N 3.49Å; Y61-I74 HydrophobicContact CD2-CB 4.43Å; Y61-I74 HydrophobicContact CD2-CD1 4.16Å; Y61-I74 HydrophobicContact CD2-CG2 3.76Å; Y61-I74 HydrophobicContact CE2-CB 4.19Å; Y61-I74 HydrophobicContact CE2-CD1 4.05Å; Y61-I74 HydrophobicContact CE2-CG2 3.98Å; Y61-V107 HydrophobicContact CD1-CB 4.25Å; Y61-V107 HydrophobicContact CD1-CG1 4.22Å; Y61-V107 HydrophobicContact CD1-CG2 3.94Å; Y61-V107 HydrophobicContact CD2-CG1 4.29Å; Y61-V107 HydrophobicContact CG-CG1 4.06Å; Y61-V107 HydrophobicContact CG-CG2 4.35Å; Y61-V108 HydrophobicContact CE2-CB 4.36Å; Y61-V108 WeakPolarHBondContact OH-CG2 3.31Å
62	H	97.7	Very high	97.3	Very high	47 Å²	47	20.4 Å²	20.4	22%	0.218	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-37.1	-180	-78.4	-71.9	0	0	0	113.1	C58 H59 A60 R65 S66 W103 K105	C58-H62 PolarHBondContact O-CD2 2.68Å; C58-H62 PolarHBondContact O-N 3.25Å; H59-H62 PolarHBondContact O-N 3.06Å; H59-H62 VanDerWaalsContact O-N 3.09Å; A60-H62 VanDerWaalsContact C-N 3.35Å; A60-H62 PolarHBondContact O-N 3.21Å; H62-R65 PolarHBondContact O-N 3.14Å; H62-S66 WeakPolarHBondContact O-CB 3.35Å; H62-S66 PolarHBondContact O-N 3.09Å; H62-W103 HydrophobicContact CB-CE3 3.66Å; H62-W103 HydrophobicContact CB-CZ3 3.61Å; H62-W103 AromaticContact CD2-CE3 3.8Å; H62-W103 PolarHBondContact CD2-O 2.88Å; H62-W103 AromaticContact CG-CE3 3.88Å; H62-W103 PolarHBondContact NE2-O 3.06Å; H62-K105 PolarHBondContact CE1-O 3.34Å; H62-K105 VanDerWaalsContact CE1-O 3.25Å; H62-K105 PolarHBondContact NE2-O 3.06Å
63	V	96.7	Very high	97.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-52.7	173.8	172.3	0	0	0	0	110.3	H59 A60 Y61 R65 S66 K67 I243 Q247	H59-V63 PolarHBondContact O-N 3.06Å; A60-V63 PolarHBondContact O-N 3.42Å; Y61-V63 PolarHBondContact O-N 3.3Å; V63-R65 VanDerWaalsContact C-N 3.3Å; V63-R65 PolarHBondContact O-N 3.09Å; V63-S66 WeakPolarHBondContact O-CB 3.33Å; V63-S66 PolarHBondContact O-N 3.18Å; V63-S66 PolarHBondContact O-OG 3.29Å; V63-K67 HydrophobicContact CG1-CG 4.45Å; V63-K67 VanDerWaalsContact O-CG 3.32Å; V63-K67 WeakPolarHBondContact O-CG 3.37Å; V63-K67 PolarHBondContact O-N 2.99Å; V63-I243 HydrophobicContact CG2-CG2 3.73Å; V63-Q247 HydrophobicContact CG2-CB 3.9Å; V63-Q247 HydrophobicContact CG2-CG 4.24Å
64	L	97.3	Very high	97.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-59	-40.2	179	-64.2	-173.8	0	0	0	112.8	A39 L41 A60 Y61 K67 G68 I69 I74 F145 Q289	A39-L64 HydrophobicContact CB-CD1 3.51Å; L41-L64 HydrophobicContact CD1-CD1 4.25Å; L41-L64 HydrophobicContact CD2-CD1 3.91Å; L41-L64 HydrophobicContact CG-CD1 4.45Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.33Å; Y61-L64 PolarHBondContact O-N 3.03Å; L64-K67 CarbonylContact O-C 3.16Å; L64-K67 PolarHBondContact O-N 3.37Å; L64-G68 PolarHBondContact O-N 3.35Å; L64-I69 HydrophobicContact CB-CB 4.35Å; L64-I69 HydrophobicContact CB-CD1 4.22Å; L64-I69 HydrophobicContact CB-CG1 4.49Å; L64-I69 HydrophobicContact CD1-CD1 4.44Å; L64-I69 HydrophobicContact CD2-CD1 4.06Å; L64-I69 HydrophobicContact CG-CD1 4.48Å; L64-I69 PolarHBondContact O-N 2.77Å; L64-I74 HydrophobicContact CB-CD1 3.95Å; L64-F145 HydrophobicContact CD1-CD1 4.08Å; L64-F145 HydrophobicContact CD1-CE1 4.36Å; L64-F145 HydrophobicContact CD2-CD1 4.34Å; L64-F145 HydrophobicContact CD2-CE1 4.46Å; L64-Q289 HydrophobicContact CD2-CB 3.6Å; L64-Q289 HydrophobicContact CD2-CG 3.87Å
65	R	96.1	Very high	97.3	Very high	89 Å²	89	21.8 Å²	21.8	34%	0.336	11%	0.106	S	C	.	.	H	α-helix	trans	-62.8	-42.8	174.9	-68	-72.7	-62.6	133.4	-5.7	112	Y61 H62 V63 K67 G68 I69 P71 I74	Y61-R65 HydrophobicContact CD1-CG 3.88Å; Y61-R65 HydrophobicContact CE1-CG 3.53Å; Y61-R65 HydrophobicContact CE2-CG 4.38Å; Y61-R65 HydrophobicContact CG-CG 4.42Å; Y61-R65 WeakPolarHBondContact O-CB 3.47Å; Y61-R65 WeakPolarHBondContact O-CG 3.25Å; Y61-R65 PolarHBondContact O-N 3.49Å; H62-R65 PolarHBondContact O-N 3.14Å; V63-R65 VanDerWaalsContact C-N 3.3Å; V63-R65 PolarHBondContact O-N 3.09Å; R65-K67 PolarHBondContact O-N 2.87Å; R65-G68 PolarHBondContact O-N 3.26Å; R65-I69 WeakPolarHBondContact CD-O 3.32Å; R65-I69 PolarHBondContact NH1-O 3.33Å; R65-P71 VanDerWaalsContact CZ-CD 3.41Å; R65-I74 HydrophobicContact CG-CD1 3.92Å
66	S	94.6	Very high	97.3	Very high	31 Å²	31	21.8 Å²	21.8	22%	0.217	11%	0.106	C	C	.	.	H	α-helix	trans	-64.3	-32.6	178.7	79	0	0	0	0	112.1	H62 V63 G68	H62-S66 WeakPolarHBondContact O-CB 3.35Å; H62-S66 PolarHBondContact O-N 3.09Å; V63-S66 WeakPolarHBondContact O-CB 3.33Å; V63-S66 PolarHBondContact O-N 3.18Å; V63-S66 PolarHBondContact O-OG 3.29Å; S66-G68 VanDerWaalsContact C-N 3.3Å; S66-G68 PolarHBondContact O-N 3.42Å
67	K	94.6	Very high	97.3	Very high	7 Å²	7	21.8 Å²	21.8	3%	0.03	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	6.1	178.1	-58.1	-65.7	173.3	170.5	0	113.7	V63 L64 R65 S246 Q247 H249 L251 Q289 G290 S291 R292	V63-K67 HydrophobicContact CG1-CG 4.45Å; V63-K67 VanDerWaalsContact O-CG 3.32Å; V63-K67 WeakPolarHBondContact O-CG 3.37Å; V63-K67 PolarHBondContact O-N 2.99Å; L64-K67 CarbonylContact O-C 3.16Å; L64-K67 PolarHBondContact O-N 3.37Å; R65-K67 PolarHBondContact O-N 2.87Å; K67-S246 WeakPolarHBondContact CE-O 3.3Å; K67-S246 PolarHBondContact NZ-O 3.44Å; K67-Q247 PolarHBondContact NZ-O 3.46Å; K67-H249 PolarHBondContact NZ-O 3.46Å; K67-L251 HydrophobicContact CB-CD1 4.23Å; K67-L251 HydrophobicContact CD-CD1 3.84Å; K67-L251 HydrophobicContact CD-CG 4.11Å; K67-L251 HydrophobicContact CG-CD1 3.72Å; K67-Q289 WeakPolarHBondContact CB-O 3.42Å; K67-G290 CarbonylContact O-C 3.59Å; K67-G290 WeakPolarHBondContact O-CA 2.97Å; K67-S291 PolarHBondContact O-N 2.98Å; K67-S291 VanDerWaalsContact O-N 3.1Å; K67-R292 VanDerWaalsContact C-CB 3.43Å; K67-R292 VanDerWaalsContact O-CB 3.26Å; K67-R292 WeakPolarHBondContact O-CB 3.37Å; K67-R292 PolarHBondContact O-N 3.27Å
68	G	94.1	Very high	97.3	Very high	16 Å²	16	21.8 Å²	21.8	17%	0.165	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.3	-7.2	166.5	0	0	0	0	0	115.9	D34 L64 R65 S66 K70	D34-G68 WeakPolarHBondContact OD2-CA 3.48Å; L64-G68 PolarHBondContact O-N 3.35Å; R65-G68 PolarHBondContact O-N 3.26Å; S66-G68 VanDerWaalsContact C-N 3.3Å; S66-G68 PolarHBondContact O-N 3.42Å; G68-K70 PolarHBondContact O-N 3.1Å
69	I	96.5	Very high	97.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.			trans	-65.9	127.3	176	-52.9	-169.9	0	0	0	109.5	K37 L64 R65 H73 I74 F288	K37-I69 HydrophobicContact CB-CD1 4.48Å; L64-I69 HydrophobicContact CB-CB 4.35Å; L64-I69 HydrophobicContact CB-CD1 4.22Å; L64-I69 HydrophobicContact CB-CG1 4.49Å; L64-I69 HydrophobicContact CD1-CD1 4.44Å; L64-I69 HydrophobicContact CD2-CD1 4.06Å; L64-I69 HydrophobicContact CG-CD1 4.48Å; L64-I69 PolarHBondContact O-N 2.77Å; R65-I69 WeakPolarHBondContact CD-O 3.32Å; R65-I69 PolarHBondContact NH1-O 3.33Å; I69-H73 HydrophobicContact CG2-CB 4.12Å; I69-I74 HydrophobicContact CB-CD1 4.22Å; I69-I74 HydrophobicContact CB-CG1 4.29Å; I69-I74 HydrophobicContact CG2-CD1 4Å; I69-I74 HydrophobicContact CG2-CG1 3.52Å; I69-F288 WeakPolarHBondContact CD1-O 3.48Å
70	K	95.3	Very high	97.3	Very high	90 Å²	90	26 Å²	26	39%	0.391	13%	0.125	S	C	.	.			trans	-77	149	-177.6	-61.6	-179.7	175.2	169	0	111.7	N35 G68 E72 H73 I74	N35-K70 WeakPolarHBondContact OD1-CE 3.15Å; N35-K70 PolarHBondContact OD1-NZ 3.31Å; G68-K70 PolarHBondContact O-N 3.1Å; K70-E72 VanDerWaalsContact CB-OE2 3.27Å; K70-E72 WeakPolarHBondContact CB-OE2 3.22Å; K70-E72 PolarHBondContact O-N 3.16Å; K70-E72 VanDerWaalsContact O-N 3.12Å; K70-H73 PolarHBondContact O-N 3.06Å; K70-I74 PolarHBondContact O-N 2.89Å
71	P	96.3	Very high	97.3	Very high	23 Å²	23	28 Å²	28	15%	0.149	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-60	-28.2	-178.9	-15.5	30.8	0	0	0	112.5	R65 H73 I74 V108 K134	R65-P71 VanDerWaalsContact CZ-CD 3.41Å; P71-H73 PolarHBondContact O-N 3.49Å; P71-I74 PolarHBondContact O-N 2.63Å; P71-V108 HydrophobicContact CB-CG2 4.38Å; P71-K134 PolarHBondContact O-NZ 2.76Å
72	E	97	Very high	97.3	Very high	117 Å²	117	27.8 Å²	27.8	55%	0.547	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-67.2	-21.7	178.7	-57.3	73.7	-144.4	0	0	112.2	W38 K70	W38-E72 WeakPolarHBondContact CZ3-O 3.44Å; K70-E72 VanDerWaalsContact CB-OE2 3.27Å; K70-E72 WeakPolarHBondContact CB-OE2 3.22Å; K70-E72 PolarHBondContact O-N 3.16Å; K70-E72 VanDerWaalsContact O-N 3.12Å
73	H	98	Very high	97.3	Very high	29 Å²	29	25.6 Å²	25.6	13%	0.134	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-103.3	-1.3	179.3	-64.5	-175.1	0	0	0	113.5	N35 K37 W38 A39 I69 K70 P71	N35-H73 PolarHBondContact O-CE1 3.19Å; K37-H73 VanDerWaalsContact O-CB 3.29Å; K37-H73 WeakPolarHBondContact O-CB 3.44Å; K37-H73 PolarHBondContact O-ND1 3.12Å; W38-H73 CarbonylContact C-O 3.59Å; W38-H73 WeakPolarHBondContact CA-O 3.31Å; W38-H73 HydrophobicContact CD2-CB 4.17Å; W38-H73 HydrophobicContact CE3-CB 4.11Å; W38-H73 AromaticContact CH2-CD2 3.61Å; W38-H73 AromaticContact CZ2-CD2 3.64Å; W38-H73 AromaticContact CZ2-NE2 3.83Å; W38-H73 HydrophobicContact CZ3-CB 4.44Å; A39-H73 PolarHBondContact N-O 2.96Å; I69-H73 HydrophobicContact CG2-CB 4.12Å; K70-H73 PolarHBondContact O-N 3.06Å; P71-H73 PolarHBondContact O-N 3.49Å
74	I	98.7	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.8	171.5	-52.6	175.4	0	0	0	107.9	A39 L41 Y61 L64 R65 I69 K70 P71 K134	A39-I74 HydrophobicContact CB-CG1 4.27Å; A39-I74 HydrophobicContact CB-CG2 4.33Å; A39-I74 CarbonylContact O-C 3.48Å; A39-I74 WeakPolarHBondContact O-CA 3.13Å; L41-I74 HydrophobicContact CD1-CG2 3.83Å; L41-I74 HydrophobicContact CG-CG2 4.06Å; Y61-I74 HydrophobicContact CD2-CB 4.43Å; Y61-I74 HydrophobicContact CD2-CD1 4.16Å; Y61-I74 HydrophobicContact CD2-CG2 3.76Å; Y61-I74 HydrophobicContact CE2-CB 4.19Å; Y61-I74 HydrophobicContact CE2-CD1 4.05Å; Y61-I74 HydrophobicContact CE2-CG2 3.98Å; L64-I74 HydrophobicContact CB-CD1 3.95Å; R65-I74 HydrophobicContact CG-CD1 3.92Å; I69-I74 HydrophobicContact CB-CD1 4.22Å; I69-I74 HydrophobicContact CB-CG1 4.29Å; I69-I74 HydrophobicContact CG2-CD1 4Å; I69-I74 HydrophobicContact CG2-CG1 3.52Å; K70-I74 PolarHBondContact O-N 2.89Å; P71-I74 PolarHBondContact O-N 2.63Å; I74-K134 WeakPolarHBondContact O-CD 3.4Å; I74-K134 PolarHBondContact O-NZ 3.21Å
75	I	98.9	Very high	97.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.7	174	-52.6	171.6	0	0	0	107.8	A39 V40 L41 D110 Y111 V124 K134 L136	A39-I75 PolarHBondContact O-N 2.83Å; V40-I75 CarbonylContact C-O 3.58Å; V40-I75 WeakPolarHBondContact CA-O 3.47Å; V40-I75 HydrophobicContact CG1-CB 4.49Å; V40-I75 HydrophobicContact CG2-CB 4.39Å; V40-I75 HydrophobicContact CG2-CD1 4.26Å; L41-I75 PolarHBondContact N-O 2.86Å; I75-D110 WeakPolarHBondContact CA-OD2 3.34Å; I75-D110 HydrophobicContact CG2-CB 4.32Å; I75-Y111 HydrophobicContact CG2-CD2 4.33Å; I75-Y111 HydrophobicContact CG2-CE2 3.94Å; I75-V124 HydrophobicContact CB-CG1 4.43Å; I75-V124 HydrophobicContact CD1-CG1 3.8Å; I75-V124 HydrophobicContact CG2-CG1 3.82Å; I75-K134 HydrophobicContact CB-CD 4.46Å; I75-K134 HydrophobicContact CD1-CG 4.49Å; I75-K134 HydrophobicContact CG1-CD 3.69Å; I75-K134 HydrophobicContact CG1-CG 3.96Å; I75-L136 HydrophobicContact CD1-CB 4.13Å; I75-L136 HydrophobicContact CD1-CD1 4.49Å; I75-L136 VanDerWaalsContact CD1-N 3.26Å
76	T	98.9	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.7	-177.4	-61.4	0	0	0	0	111.3	L41 V57 M78 V107 V108 D110 Y111	L41-T76 WeakPolarHBondContact O-CA 3.2Å; V57-T76 HydrophobicContact CG1-CG2 3.69Å; T76-M78 HydrophobicContact CG2-CG 4.44Å; T76-M78 HydrophobicContact CG2-SD 3.97Å; T76-V107 HydrophobicContact CG2-CG1 4.3Å; T76-V108 WeakPolarHBondContact CB-O 3.44Å; T76-D110 PolarHBondContact N-OD2 3.28Å; T76-D110 PolarHBondContact O-N 3.44Å; T76-Y111 PolarHBondContact O-N 3.02Å
77	M	98.9	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111	174.5	-56.9	-176.9	64.6	0	0	108.9	L41 V42 A43 Y111 V116 T120 F121 V124	L41-M77 PolarHBondContact O-N 2.82Å; V42-M77 CarbonylContact C-O 3.45Å; V42-M77 WeakPolarHBondContact CA-O 3.18Å; V42-M77 HydrophobicContact CB-CB 4.49Å; V42-M77 HydrophobicContact CG1-CB 4.2Å; V42-M77 HydrophobicContact CG2-CB 4.24Å; V42-M77 HydrophobicContact CG2-CG 4.42Å; V42-M77 HydrophobicContact CG2-SD 4.17Å; A43-M77 PolarHBondContact N-O 2.86Å; M77-Y111 HydrophobicContact CE-CG 4.4Å; M77-Y111 HydrophobicContact CG-CD2 3.69Å; M77-Y111 HydrophobicContact CG-CG 4.16Å; M77-Y111 HydrophobicContact SD-CD2 4.41Å; M77-V116 HydrophobicContact CB-CG2 4.45Å; M77-T120 HydrophobicContact CE-CG2 4.01Å; M77-F121 HydrophobicContact CE-CB 3.99Å; M77-F121 HydrophobicContact SD-CB 3.96Å; M77-F121 HydrophobicContact SD-CD2 3.99Å; M77-F121 HydrophobicContact SD-CG 4.47Å; M77-V124 HydrophobicContact SD-CG2 4.36Å
78	M	98.7	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.			trans	-152	143.3	175.5	72.7	-163	-136.1	0	0	110	A43 Q54 V57 T76 D80 Y104 V107 I109 Y111 R112	A43-M78 HydrophobicContact CB-CB 3.88Å; Q54-M78 HydrophobicContact CG-CB 4.36Å; V57-M78 HydrophobicContact CG1-SD 4.27Å; T76-M78 HydrophobicContact CG2-CG 4.44Å; T76-M78 HydrophobicContact CG2-SD 3.97Å; M78-D80 HydrophobicContact CG-CB 4.48Å; M78-D80 PolarHBondContact O-N 2.81Å; M78-Y104 HydrophobicContact CE-CD2 4.04Å; M78-Y104 HydrophobicContact CE-CE2 3.71Å; M78-V107 HydrophobicContact SD-CG1 4.36Å; M78-I109 HydrophobicContact CE-CD1 3.19Å; M78-I109 HydrophobicContact CE-CG1 3.6Å; M78-I109 HydrophobicContact CG-CD1 4.19Å; M78-I109 HydrophobicContact CG-CG1 4.08Å; M78-I109 HydrophobicContact CG-CG2 3.69Å; M78-I109 HydrophobicContact SD-CD1 3.98Å; M78-I109 HydrophobicContact SD-CG1 3.73Å; M78-I109 HydrophobicContact SD-CG2 4.4Å; M78-Y111 PolarHBondContact N-O 3.49Å; M78-Y111 VanDerWaalsContact N-O 3.12Å; M78-R112 WeakPolarHBondContact O-CA 3.45Å
79	Y	98.7	Very high	97.8	Very high	51 Å²	51	44.3 Å²	44.3	20%	0.2	22%	0.215	C	C	.	.			trans	-63.6	-30	-170.3	-158.5	-87.1	0	0	0	112.8	N46 D81 G113 P160	N46-Y79 HydrophobicContact CB-CD1 3.7Å; N46-Y79 HydrophobicContact CB-CD2 3.75Å; N46-Y79 HydrophobicContact CB-CE1 4.07Å; N46-Y79 HydrophobicContact CB-CE2 4.1Å; N46-Y79 HydrophobicContact CB-CG 3.51Å; Y79-D81 HydrophobicContact CD1-CB 3.73Å; Y79-D81 VanDerWaalsContact CD1-CG 3.47Å; Y79-D81 HydrophobicContact CE1-CB 4.22Å; Y79-G113 VanDerWaalsContact CD2-C 3.49Å; Y79-G113 WeakPolarHBondContact CD2-O 3.48Å; Y79-G113 PolarHBondContact O-N 2.67Å; Y79-P160 HydrophobicContact CD2-CB 3.93Å; Y79-P160 HydrophobicContact CD2-CG 3.79Å; Y79-P160 HydrophobicContact CE2-CB 4.02Å; Y79-P160 HydrophobicContact CE2-CG 4.32Å
80	D	98.6	Very high	97.9	Very high	40 Å²	40	47 Å²	47	21%	0.214	23%	0.227	C	C	.	.			trans	67.7	44.3	173.6	-163.1	24.9	0	0	0	113.7	M78 Y104 I109 R112	M78-D80 HydrophobicContact CG-CB 4.48Å; M78-D80 PolarHBondContact O-N 2.81Å; D80-Y104 WeakPolarHBondContact OD1-CE2 3.34Å; D80-Y104 VanDerWaalsContact OD1-CZ 3.3Å; D80-Y104 PolarHBondContact OD1-OH 3.05Å; D80-Y104 PolarHBondContact OD2-OH 3.44Å; D80-I109 HydrophobicContact CB-CD1 4.11Å; D80-I109 VanDerWaalsContact CG-CD1 3.48Å; D80-I109 VanDerWaalsContact OD2-CD1 3.31Å; D80-I109 WeakPolarHBondContact OD2-CD1 3.37Å; D80-R112 HydrophobicContact CB-CB 4.49Å; D80-R112 HydrophobicContact CB-CG 3.93Å; D80-R112 VanDerWaalsContact OD2-CD 3.28Å; D80-R112 WeakPolarHBondContact OD2-CD 3.35Å; D80-R112 IonicContact OD2-CZ 2.66Å; D80-R112 IonicContact OD2-NE 3.99Å; D80-R112 PolarHBondContact OD2-NE 2.95Å
81	D	98.6	Very high	98	Very high	40 Å²	40	47.4 Å²	47.4	21%	0.214	24%	0.239	C	C	.	.			trans	-120.3	10.8	-176.8	65.6	-28.7	0	0	0	114.6	G47 Q54 Y79 N85	G47-D81 WeakPolarHBondContact CA-OD2 3.23Å; G47-D81 PolarHBondContact N-OD2 3.14Å; Q54-D81 PolarHBondContact NE2-OD1 2.71Å; Y79-D81 HydrophobicContact CD1-CB 3.73Å; Y79-D81 VanDerWaalsContact CD1-CG 3.47Å; Y79-D81 HydrophobicContact CE1-CB 4.22Å; D81-N85 WeakPolarHBondContact O-CB 3.21Å; D81-N85 PolarHBondContact O-ND2 2.97Å; D81-N85 VanDerWaalsContact O-ND2 3.09Å
82	I	98.6	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-106.2	-42.5	-173.9	-52.8	-170.6	0	0	0	111.9	Y48 Y51 Q54 Y84 N85 N88 L94	Y48-I82 HydrophobicContact CD2-CG2 4.17Å; Y51-I82 VanDerWaalsContact CA-CD1 3.47Å; Y51-I82 HydrophobicContact CD2-CG2 3.27Å; Y51-I82 HydrophobicContact CE2-CG2 3.72Å; Y51-I82 HydrophobicContact CG-CG2 3.91Å; Q54-I82 HydrophobicContact CB-CD1 4.1Å; Q54-I82 HydrophobicContact CG-CD1 3.92Å; I82-Y84 PolarHBondContact O-N 2.92Å; I82-N85 WeakPolarHBondContact O-CB 3.48Å; I82-N85 PolarHBondContact O-N 3.46Å; I82-N85 VanDerWaalsContact O-N 3.07Å; I82-N88 WeakPolarHBondContact O-CB 3.41Å; I82-N88 PolarHBondContact O-ND2 2.96Å; I82-L94 HydrophobicContact CB-CD2 3.85Å; I82-L94 HydrophobicContact CG2-CD2 3.46Å; I82-L94 VanDerWaalsContact CG2-CD2 3.46Å
83	A	98.4	Very high	98.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-36.2	-177.1	0	0	0	0	0	112.7	N88 P91 G92 L94 Y104	A83-N88 PolarHBondContact O-ND2 3.17Å; A83-P91 CarbonylContact O-C 3.52Å; A83-P91 WeakPolarHBondContact O-CA 3.43Å; A83-G92 PolarHBondContact O-N 3.15Å; A83-L94 HydrophobicContact CB-CD2 4.44Å; A83-L94 HydrophobicContact CB-CG 4.22Å; A83-Y104 HydrophobicContact CB-CD1 3.78Å; A83-Y104 HydrophobicContact CB-CD2 3.85Å; A83-Y104 HydrophobicContact CB-CE1 3.61Å; A83-Y104 HydrophobicContact CB-CE2 3.67Å; A83-Y104 HydrophobicContact CB-CG 3.88Å
84	Y	98.3	Very high	98.2	Very high	170 Å²	170	44.5 Å²	44.5	67%	0.667	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	20.2	177.1	-65.8	-83.4	0	0	0	113.3	I82 P91 Y104	I82-Y84 PolarHBondContact O-N 2.92Å; Y84-P91 HydrophobicContact CD1-CB 4.46Å; Y84-Y104 HydrophobicContact CE2-CE1 4.25Å
85	N	98.3	Very high	98.2	Very high	35 Å²	35	44.7 Å²	44.7	19%	0.187	23%	0.226	C	C	.	.			trans	-64.7	142.2	176.4	-159.7	-78.2	0	0	0	110.5	Y48 D81 I82 M87 N88	Y48-N85 HydrophobicContact CD2-CB 4.17Å; D81-N85 WeakPolarHBondContact O-CB 3.21Å; D81-N85 PolarHBondContact O-ND2 2.97Å; D81-N85 VanDerWaalsContact O-ND2 3.09Å; I82-N85 WeakPolarHBondContact O-CB 3.48Å; I82-N85 PolarHBondContact O-N 3.46Å; I82-N85 VanDerWaalsContact O-N 3.07Å; N85-M87 PolarHBondContact O-N 3.31Å; N85-M87 WeakPolarHBondContact OD1-CB 3.31Å; N85-M87 PolarHBondContact OD1-N 3.37Å; N85-N88 HydrophobicContact CB-CB 4.18Å; N85-N88 WeakPolarHBondContact O-CB 3.47Å; N85-N88 PolarHBondContact O-N 2.75Å
86	L	96.7	Very high	98.1	Very high	182 Å²	182	44.7 Å²	44.7	95%	0.953	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-25.8	176.6	-65.9	175.7	0	0	0	113
87	M	95.5	Very high	98.1	Very high	81 Å²	81	45.1 Å²	45.1	40%	0.399	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.7	174.6	-68.4	-177.4	-81	0	0	113.4	Y48 F49 N85 P89	Y48-M87 VanDerWaalsContact CB-CE 3.44Å; Y48-M87 HydrophobicContact CD1-CB 3.52Å; Y48-M87 HydrophobicContact CD1-CE 4.08Å; Y48-M87 HydrophobicContact CD1-CG 4.33Å; Y48-M87 HydrophobicContact CD1-SD 3.9Å; Y48-M87 HydrophobicContact CD2-CB 4.02Å; Y48-M87 HydrophobicContact CE1-CB 3.67Å; Y48-M87 HydrophobicContact CE2-CB 4.2Å; Y48-M87 HydrophobicContact CG-CB 3.68Å; Y48-M87 HydrophobicContact CG-CE 4.03Å; Y48-M87 HydrophobicContact CG-SD 4.4Å; Y48-M87 PolarHBondContact OH-O 2.59Å; F49-M87 HydrophobicContact CE2-CE 4.15Å; F49-M87 HydrophobicContact CE2-SD 4.26Å; N85-M87 PolarHBondContact O-N 3.31Å; N85-M87 WeakPolarHBondContact OD1-CB 3.31Å; N85-M87 PolarHBondContact OD1-N 3.37Å; M87-P89 VanDerWaalsContact O-CD 3.3Å; M87-P89 WeakPolarHBondContact O-CD 3.28Å
88	N	97.9	Very high	98	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.032	24%	0.235	C	C	.	.			trans	-82.7	113.6	177.7	-175	-4	0	0	0	109.7	Y48 I82 A83 N85 F90 K93	Y48-N88 HydrophobicContact CD2-CB 4.35Å; Y48-N88 HydrophobicContact CE2-CB 3.82Å; I82-N88 WeakPolarHBondContact O-CB 3.41Å; I82-N88 PolarHBondContact O-ND2 2.96Å; A83-N88 PolarHBondContact O-ND2 3.17Å; N85-N88 HydrophobicContact CB-CB 4.18Å; N85-N88 WeakPolarHBondContact O-CB 3.47Å; N85-N88 PolarHBondContact O-N 2.75Å; N88-F90 PolarHBondContact ND2-O 2.85Å; N88-F90 PolarHBondContact O-N 2.76Å; N88-F90 PolarHBondContact OD1-N 3.23Å; N88-K93 PolarHBondContact ND2-O 3.21Å
89	P	96.9	Very high	97.8	Very high	65 Å²	65	49.2 Å²	49.2	42%	0.422	25%	0.249	S	C	.	.	S	Bend	trans	-70.2	-9.2	-179.5	28.8	-34.1	0	0	0	113.6	M87 P91 I230	M87-P89 VanDerWaalsContact O-CD 3.3Å; M87-P89 WeakPolarHBondContact O-CD 3.28Å; P89-P91 WeakPolarHBondContact O-CD 3.49Å; P89-I230 HydrophobicContact CG-CG1 4.04Å
90	F	98.3	Very high	97.7	Very high	57 Å²	57	49.6 Å²	49.6	25%	0.25	25%	0.252	C	S	.	.	S	Bend	trans	-119.5	81.5	177.8	-54.8	-83	0	0	0	111.2	N88 G92 K93 F95 T229 I230	N88-F90 PolarHBondContact ND2-O 2.85Å; N88-F90 PolarHBondContact O-N 2.76Å; N88-F90 PolarHBondContact OD1-N 3.23Å; F90-G92 PolarHBondContact O-N 3.23Å; F90-K93 HydrophobicContact CB-CB 4.1Å; F90-K93 HydrophobicContact CB-CD 4.37Å; F90-K93 PolarHBondContact O-N 3.47Å; F90-K93 VanDerWaalsContact O-N 3.11Å; F90-F95 HydrophobicContact CB-CE2 4.19Å; F90-F95 HydrophobicContact CB-CZ 4.12Å; F90-F95 HydrophobicContact CD1-CE2 4.23Å; F90-F95 HydrophobicContact CD1-CZ 4.26Å; F90-F95 HydrophobicContact CD2-CD2 4.32Å; F90-F95 AromaticContact CD2-CE2 3.43Å; F90-F95 HydrophobicContact CD2-CE2 3.43Å; F90-F95 VanDerWaalsContact CD2-CE2 3.43Å; F90-F95 HydrophobicContact CD2-CZ 4.14Å; F90-F95 HydrophobicContact CE1-CE2 4.49Å; F90-F95 AromaticContact CE2-CE2 3.73Å; F90-F95 HydrophobicContact CE2-CE2 3.73Å; F90-F95 AromaticContact CG-CE2 3.69Å; F90-F95 HydrophobicContact CG-CE2 3.69Å; F90-F95 AromaticContact CG-CZ 3.92Å; F90-F95 HydrophobicContact CG-CZ 3.92Å; F90-F95 HydrophobicContact CZ-CE2 4.26Å; F90-T229 VanDerWaalsContact CE2-OG1 3.25Å; F90-T229 WeakPolarHBondContact CE2-OG1 3.38Å; F90-T229 HydrophobicContact CZ-CG2 4.35Å; F90-I230 HydrophobicContact CD2-CD1 4.18Å; F90-I230 HydrophobicContact CD2-CG1 4.3Å; F90-I230 HydrophobicContact CE2-CD1 4.28Å; F90-I230 HydrophobicContact CE2-CG1 4.21Å
91	P	98.2	Very high	97.6	Very high	98 Å²	98	51.1 Å²	51.1	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	131.2	179.9	-26.1	34.4	0	0	0	112.5	A83 Y84 P89	A83-P91 CarbonylContact O-C 3.52Å; A83-P91 WeakPolarHBondContact O-CA 3.43Å; Y84-P91 HydrophobicContact CD1-CB 4.46Å; P89-P91 WeakPolarHBondContact O-CD 3.49Å
92	G	98.3	Very high	97.6	Very high	14 Å²	14	51.3 Å²	51.3	14%	0.144	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	13.6	179.9	0	0	0	0	0	115.1	A83 F90 Y104	A83-G92 PolarHBondContact O-N 3.15Å; F90-G92 PolarHBondContact O-N 3.23Å; G92-Y104 WeakPolarHBondContact O-CD1 3.45Å
93	K	98.7	Very high	97.5	Very high	94 Å²	94	52 Å²	52	41%	0.409	26%	0.26	S	S	.	.			trans	-129.9	148.3	179.6	-58.1	-172.9	178.5	-179.6	0	112.6	N88 F90 F95 D102	N88-K93 PolarHBondContact ND2-O 3.21Å; F90-K93 HydrophobicContact CB-CB 4.1Å; F90-K93 HydrophobicContact CB-CD 4.37Å; F90-K93 PolarHBondContact O-N 3.47Å; F90-K93 VanDerWaalsContact O-N 3.11Å; K93-F95 HydrophobicContact CB-CE1 3.82Å; K93-F95 HydrophobicContact CB-CZ 4.02Å; K93-F95 HydrophobicContact CD-CE1 3.99Å; K93-F95 HydrophobicContact CD-CZ 3.93Å; K93-D102 WeakPolarHBondContact CA-OD1 3.3Å; K93-D102 HydrophobicContact CB-CB 4.43Å; K93-D102 HydrophobicContact CD-CB 4.38Å; K93-D102 HydrophobicContact CG-CB 4.35Å
94	L	98.4	Very high	97.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.			trans	-132.5	137	167.6	-63.4	178	0	0	0	110.8	Y51 Q54 I82 A83 D102 W103 Y104	Y51-L94 HydrophobicContact CD2-CD2 4.35Å; Y51-L94 HydrophobicContact CE1-CD2 4.21Å; Y51-L94 HydrophobicContact CE2-CD2 3.71Å; Y51-L94 VanDerWaalsContact OH-CA 3.3Å; Y51-L94 WeakPolarHBondContact OH-CA 3.45Å; Q54-L94 HydrophobicContact CB-CD1 4.21Å; I82-L94 HydrophobicContact CB-CD2 3.85Å; I82-L94 HydrophobicContact CG2-CD2 3.46Å; I82-L94 VanDerWaalsContact CG2-CD2 3.46Å; A83-L94 HydrophobicContact CB-CD2 4.44Å; A83-L94 HydrophobicContact CB-CG 4.22Å; L94-D102 PolarHBondContact N-OD1 3.04Å; L94-D102 WeakPolarHBondContact O-CA 3.45Å; L94-W103 PolarHBondContact O-N 3.35Å; L94-Y104 HydrophobicContact CD1-CD2 3.75Å; L94-Y104 HydrophobicContact CD1-CG 4.42Å; L94-Y104 HydrophobicContact CG-CD2 4.11Å; L94-Y104 HydrophobicContact CG-CG 4.31Å
95	F	98.5	Very high	97.5	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.018	27%	0.269	C	S	.	.			trans	-117.6	148.5	-176.6	-52.7	-36.9	0	0	0	110.5	Y51 A55 F90 K93 H100 K101 D102 I230	Y51-F95 VanDerWaalsContact CE1-O 3.26Å; Y51-F95 WeakPolarHBondContact CE1-O 3.4Å; Y51-F95 PolarHBondContact OH-N 3.08Å; A55-F95 WeakPolarHBondContact CB-O 3.45Å; F90-F95 HydrophobicContact CB-CE2 4.19Å; F90-F95 HydrophobicContact CB-CZ 4.12Å; F90-F95 HydrophobicContact CD1-CE2 4.23Å; F90-F95 HydrophobicContact CD1-CZ 4.26Å; F90-F95 HydrophobicContact CD2-CD2 4.32Å; F90-F95 AromaticContact CD2-CE2 3.43Å; F90-F95 HydrophobicContact CD2-CE2 3.43Å; F90-F95 VanDerWaalsContact CD2-CE2 3.43Å; F90-F95 HydrophobicContact CD2-CZ 4.14Å; F90-F95 HydrophobicContact CE1-CE2 4.49Å; F90-F95 AromaticContact CE2-CE2 3.73Å; F90-F95 HydrophobicContact CE2-CE2 3.73Å; F90-F95 AromaticContact CG-CE2 3.69Å; F90-F95 HydrophobicContact CG-CE2 3.69Å; F90-F95 AromaticContact CG-CZ 3.92Å; F90-F95 HydrophobicContact CG-CZ 3.92Å; F90-F95 HydrophobicContact CZ-CE2 4.26Å; K93-F95 HydrophobicContact CB-CE1 3.82Å; K93-F95 HydrophobicContact CB-CZ 4.02Å; K93-F95 HydrophobicContact CD-CE1 3.99Å; K93-F95 HydrophobicContact CD-CZ 3.93Å; F95-H100 VanDerWaalsContact CD1-C 3.45Å; F95-H100 HydrophobicContact CD1-CB 4.17Å; F95-H100 WeakPolarHBondContact CD1-O 3.24Å; F95-H100 HydrophobicContact CD2-CB 3.84Å; F95-H100 AromaticContact CD2-CD2 3.45Å; F95-H100 VanDerWaalsContact CD2-CD2 3.45Å; F95-H100 WeakPolarHBondContact CD2-CD2 3.41Å; F95-H100 AromaticContact CD2-CG 3.6Å; F95-H100 HydrophobicContact CE1-CB 4.1Å; F95-H100 WeakPolarHBondContact CE1-O 3.46Å; F95-H100 HydrophobicContact CE2-CB 3.75Å; F95-H100 AromaticContact CE2-CD2 3.94Å; F95-H100 AromaticContact CE2-CG 3.63Å; F95-H100 AromaticContact CE2-ND1 3.95Å; F95-H100 HydrophobicContact CG-CB 4.06Å; F95-H100 HydrophobicContact CZ-CB 3.9Å; F95-K101 WeakPolarHBondContact CD1-O 3.38Å; F95-D102 HydrophobicContact CE1-CB 4.2Å; F95-I230 HydrophobicContact CD2-CD1 3.62Å; F95-I230 HydrophobicContact CE2-CD1 4.23Å
96	N	98	Very high	97.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-119.2	5.8	-179	-162.2	-131	0	0	0	112.9	A55 D56 H59 W103 F224 L234 A235 Y240	A55-N96 HydrophobicContact CB-CB 4.47Å; D56-N96 PolarHBondContact N-ND2 3.47Å; D56-N96 PolarHBondContact OD1-ND2 3.43Å; H59-N96 HydrophobicContact CB-CB 4.06Å; H59-N96 PolarHBondContact ND1-OD1 3.34Å; N96-W103 HydrophobicContact CB-CG 4.49Å; N96-F224 WeakPolarHBondContact O-CD2 3.44Å; N96-L234 PolarHBondContact ND2-O 3.1Å; N96-A235 WeakPolarHBondContact ND2-CB 3.47Å; N96-Y240 WeakPolarHBondContact O-CD2 3.37Å; N96-Y240 WeakPolarHBondContact O-CE2 3.44Å; N96-Y240 WeakPolarHBondContact OD1-CD2 3.38Å
97	D	97.9	Very high	97.6	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.048	25%	0.247	C	C	.	.	S	Bend	trans	-161.3	-178.6	174	62.4	19.7	0	0	0	109.8	N99 H100 F224 L234 Y240	D97-N99 PolarHBondContact O-N 2.92Å; D97-N99 WeakPolarHBondContact OD1-CA 3.38Å; D97-N99 VanDerWaalsContact OD1-CB 3.31Å; D97-N99 WeakPolarHBondContact OD1-CB 3.43Å; D97-N99 PolarHBondContact OD1-N 2.96Å; D97-N99 PolarHBondContact OD2-ND2 3.27Å; D97-H100 PolarHBondContact O-N 3.2Å; D97-F224 HydrophobicContact CB-CD2 4.22Å; D97-F224 HydrophobicContact CB-CE1 4.32Å; D97-F224 HydrophobicContact CB-CE2 4Å; D97-F224 HydrophobicContact CB-CZ 4.05Å; D97-L234 WeakPolarHBondContact O-CD1 3.39Å; D97-Y240 HydrophobicContact CB-CE2 4.03Å
98	Y	97.1	Very high	97.7	Very high	32 Å²	32	45.5 Å²	45.5	13%	0.125	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	0.1	177.9	-55.6	-42.1	0	0	0	114.8	H100 F224 C225 D226 D227 L234 M304 R307 H308	Y98-H100 PolarHBondContact O-N 2.91Å; Y98-F224 HydrophobicContact CD1-CB 4.18Å; Y98-F224 HydrophobicContact CD1-CD1 4.5Å; Y98-F224 AromaticContact CD2-CD1 3.87Å; Y98-F224 HydrophobicContact CD2-CD1 3.87Å; Y98-F224 HydrophobicContact CE1-CB 3.67Å; Y98-F224 HydrophobicContact CE1-CD1 4.38Å; Y98-F224 HydrophobicContact CE1-CG 4.5Å; Y98-F224 WeakPolarHBondContact CE1-O 3.22Å; Y98-F224 HydrophobicContact CE2-CB 4.42Å; Y98-F224 AromaticContact CE2-CD1 3.74Å; Y98-F224 HydrophobicContact CE2-CD1 3.74Å; Y98-F224 HydrophobicContact CG-CD1 4.25Å; Y98-F224 WeakPolarHBondContact OH-CA 3.36Å; Y98-C225 PolarHBondContact OH-N 2.87Å; Y98-D226 WeakPolarHBondContact OH-CA 3.36Å; Y98-D226 PolarHBondContact OH-N 3.49Å; Y98-D227 HydrophobicContact CD1-CB 3.99Å; Y98-D227 WeakPolarHBondContact CD1-OD2 3.37Å; Y98-D227 HydrophobicContact CE1-CB 3.78Å; Y98-L234 HydrophobicContact CD1-CD1 3.92Å; Y98-L234 HydrophobicContact CE1-CD1 4.27Å; Y98-M304 HydrophobicContact CD2-CE 4.49Å; Y98-M304 HydrophobicContact CD2-SD 3.59Å; Y98-M304 VanDerWaalsContact CD2-SD 3.59Å; Y98-M304 HydrophobicContact CG-SD 4.18Å; Y98-R307 HydrophobicContact CE2-CG 3.94Å; Y98-H308 AromaticContact CE2-ND1 3.53Å; Y98-H308 AromaticContact CZ-ND1 3.6Å; Y98-H308 PolarHBondContact OH-ND1 3.33Å
99	N	95.2	Very high	97.7	Very high	55 Å²	55	45.8 Å²	45.8	29%	0.294	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.4	173.4	-62.9	-25.7	0	0	0	111.5	D97 K101 E301 M304	D97-N99 PolarHBondContact O-N 2.92Å; D97-N99 WeakPolarHBondContact OD1-CA 3.38Å; D97-N99 VanDerWaalsContact OD1-CB 3.31Å; D97-N99 WeakPolarHBondContact OD1-CB 3.43Å; D97-N99 PolarHBondContact OD1-N 2.96Å; D97-N99 PolarHBondContact OD2-ND2 3.27Å; N99-K101 PolarHBondContact O-N 2.9Å; N99-K101 VanDerWaalsContact O-N 3.13Å; N99-E301 PolarHBondContact OD1-OE2 3.15Å; N99-M304 WeakPolarHBondContact OD1-CE 3.43Å
100	H	96.2	Very high	97.8	Very high	59 Å²	59	44.4 Å²	44.4	27%	0.273	24%	0.236	S	C	.	.			trans	55.3	32.4	177	-67.4	-179.5	0	0	0	113.5	F95 D97 Y98 D102 D227	F95-H100 VanDerWaalsContact CD1-C 3.45Å; F95-H100 HydrophobicContact CD1-CB 4.17Å; F95-H100 WeakPolarHBondContact CD1-O 3.24Å; F95-H100 HydrophobicContact CD2-CB 3.84Å; F95-H100 AromaticContact CD2-CD2 3.45Å; F95-H100 VanDerWaalsContact CD2-CD2 3.45Å; F95-H100 WeakPolarHBondContact CD2-CD2 3.41Å; F95-H100 AromaticContact CD2-CG 3.6Å; F95-H100 HydrophobicContact CE1-CB 4.1Å; F95-H100 WeakPolarHBondContact CE1-O 3.46Å; F95-H100 HydrophobicContact CE2-CB 3.75Å; F95-H100 AromaticContact CE2-CD2 3.94Å; F95-H100 AromaticContact CE2-CG 3.63Å; F95-H100 AromaticContact CE2-ND1 3.95Å; F95-H100 HydrophobicContact CG-CB 4.06Å; F95-H100 HydrophobicContact CZ-CB 3.9Å; D97-H100 PolarHBondContact O-N 3.2Å; Y98-H100 PolarHBondContact O-N 2.91Å; H100-D102 PolarHBondContact O-N 3.32Å; H100-D227 IonicContact CD2-OD2 3.25Å; H100-D227 IonicContact CE1-OD1 2.67Å; H100-D227 IonicContact CE1-OD2 3.64Å; H100-D227 IonicContact NE2-OD1 3.18Å; H100-D227 IonicContact NE2-OD2 2.98Å; H100-D227 PolarHBondContact NE2-OD2 3.09Å
101	K	95.8	Very high	97.8	Very high	71 Å²	71	41.7 Å²	41.7	31%	0.309	22%	0.224	S	C	.	.			trans	-67.3	121.2	168.3	-179.5	168.2	172.5	179.6	0	108.8	F95 N99 W103 D300	F95-K101 WeakPolarHBondContact CD1-O 3.38Å; N99-K101 PolarHBondContact O-N 2.9Å; N99-K101 VanDerWaalsContact O-N 3.13Å; K101-W103 HydrophobicContact CD-CH2 3.81Å; K101-W103 HydrophobicContact CD-CZ2 3.58Å; K101-W103 HydrophobicContact CD-CZ3 4.36Å; K101-W103 VanDerWaalsContact CE-CH2 3.44Å; K101-W103 HydrophobicContact CG-CD2 4.41Å; K101-W103 HydrophobicContact CG-CZ2 4.14Å; K101-W103 PolarHBondContact O-N 3Å; K101-W103 VanDerWaalsContact O-N 3.16Å; K101-D300 IonicContact NZ-OD1 2.72Å; K101-D300 PolarHBondContact NZ-OD1 3.31Å; K101-D300 IonicContact NZ-OD2 2.76Å; K101-D300 PolarHBondContact NZ-OD2 2.99Å
102	D	97.8	Very high	97.9	Very high	45 Å²	45	42.7 Å²	42.7	24%	0.241	22%	0.215	C	C	.	.			trans	-71.4	107.2	178.2	179.2	19.7	0	0	0	110.8	K93 L94 F95 H100 Y104 K105	K93-D102 WeakPolarHBondContact CA-OD1 3.3Å; K93-D102 HydrophobicContact CB-CB 4.43Å; K93-D102 HydrophobicContact CD-CB 4.38Å; K93-D102 HydrophobicContact CG-CB 4.35Å; L94-D102 PolarHBondContact N-OD1 3.04Å; L94-D102 WeakPolarHBondContact O-CA 3.45Å; F95-D102 HydrophobicContact CE1-CB 4.2Å; H100-D102 PolarHBondContact O-N 3.32Å; D102-Y104 WeakPolarHBondContact OD1-CB 3.32Å; D102-Y104 PolarHBondContact OD1-N 3.17Å; D102-K105 WeakPolarHBondContact OD2-CB 3.12Å
103	W	97.9	Very high	97.9	Very high	14 Å²	14	42.8 Å²	42.8	5%	0.053	22%	0.216	C	C	.	.			trans	-91.9	-8.9	175.8	-63.7	111.3	0	0	0	112.9	C58 H59 H62 L94 N96 K101 V107	C58-W103 HydrophobicContact CB-CB 3.86Å; C58-W103 VanDerWaalsContact CB-O 3.31Å; C58-W103 WeakPolarHBondContact CB-O 3.35Å; H59-W103 HydrophobicContact CB-CD2 4.06Å; H59-W103 HydrophobicContact CB-CG 4.06Å; H59-W103 AromaticContact CD2-CD2 3.78Å; H59-W103 AromaticContact CD2-CE2 3.54Å; H59-W103 AromaticContact CD2-CE3 3.81Å; H59-W103 AromaticContact CD2-CH2 3.32Å; H59-W103 WeakPolarHBondContact CD2-CH2 3.24Å; H59-W103 AromaticContact CD2-CZ2 3.32Å; H59-W103 WeakPolarHBondContact CD2-CZ2 3.12Å; H59-W103 AromaticContact CD2-CZ3 3.59Å; H59-W103 AromaticContact CE1-CZ2 3.82Å; H59-W103 AromaticContact CG-CD2 3.96Å; H59-W103 AromaticContact CG-CE2 3.75Å; H59-W103 AromaticContact CG-CZ2 3.95Å; H59-W103 AromaticContact NE2-CE2 3.87Å; H59-W103 AromaticContact NE2-CH2 3.37Å; H59-W103 WeakPolarHBondContact NE2-CH2 3.23Å; H59-W103 AromaticContact NE2-CZ2 3.25Å; H59-W103 WeakPolarHBondContact NE2-CZ2 3.29Å; H62-W103 HydrophobicContact CB-CE3 3.66Å; H62-W103 HydrophobicContact CB-CZ3 3.61Å; H62-W103 AromaticContact CD2-CE3 3.8Å; H62-W103 PolarHBondContact CD2-O 2.88Å; H62-W103 AromaticContact CG-CE3 3.88Å; H62-W103 PolarHBondContact NE2-O 3.06Å; L94-W103 PolarHBondContact O-N 3.35Å; N96-W103 HydrophobicContact CB-CG 4.49Å; K101-W103 HydrophobicContact CD-CH2 3.81Å; K101-W103 HydrophobicContact CD-CZ2 3.58Å; K101-W103 HydrophobicContact CD-CZ3 4.36Å; K101-W103 VanDerWaalsContact CE-CH2 3.44Å; K101-W103 HydrophobicContact CG-CD2 4.41Å; K101-W103 HydrophobicContact CG-CZ2 4.14Å; K101-W103 PolarHBondContact O-N 3Å; K101-W103 VanDerWaalsContact O-N 3.16Å; W103-V107 WeakPolarHBondContact O-CG2 3.22Å
104	Y	98.7	Very high	97.8	Very high	37 Å²	37	46 Å²	46	15%	0.145	23%	0.23	C	C	.	.	S	Bend	trans	-75.9	-39.4	-179.4	-176.7	-109	0	0	0	112	M78 D80 A83 Y84 G92 L94 D102 G106 V107 I109	M78-Y104 HydrophobicContact CE-CD2 4.04Å; M78-Y104 HydrophobicContact CE-CE2 3.71Å; D80-Y104 WeakPolarHBondContact OD1-CE2 3.34Å; D80-Y104 VanDerWaalsContact OD1-CZ 3.3Å; D80-Y104 PolarHBondContact OD1-OH 3.05Å; D80-Y104 PolarHBondContact OD2-OH 3.44Å; A83-Y104 HydrophobicContact CB-CD1 3.78Å; A83-Y104 HydrophobicContact CB-CD2 3.85Å; A83-Y104 HydrophobicContact CB-CE1 3.61Å; A83-Y104 HydrophobicContact CB-CE2 3.67Å; A83-Y104 HydrophobicContact CB-CG 3.88Å; Y84-Y104 HydrophobicContact CE2-CE1 4.25Å; G92-Y104 WeakPolarHBondContact O-CD1 3.45Å; L94-Y104 HydrophobicContact CD1-CD2 3.75Å; L94-Y104 HydrophobicContact CD1-CG 4.42Å; L94-Y104 HydrophobicContact CG-CD2 4.11Å; L94-Y104 HydrophobicContact CG-CG 4.31Å; D102-Y104 WeakPolarHBondContact OD1-CB 3.32Å; D102-Y104 PolarHBondContact OD1-N 3.17Å; Y104-G106 PolarHBondContact O-N 3.06Å; Y104-G106 VanDerWaalsContact O-N 3.12Å; Y104-V107 WeakPolarHBondContact O-CG2 3.48Å; Y104-V107 PolarHBondContact O-N 2.88Å; Y104-I109 HydrophobicContact CE2-CD1 4.41Å
105	K	98	Very high	97.8	Very high	161 Å²	161	51.4 Å²	51.4	70%	0.7	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	115.6	-175.2	-179	179.3	178.8	-179	0	112.1	H62 D102	H62-K105 PolarHBondContact CE1-O 3.34Å; H62-K105 VanDerWaalsContact CE1-O 3.25Å; H62-K105 PolarHBondContact NE2-O 3.06Å; D102-K105 WeakPolarHBondContact OD2-CB 3.12Å
106	G	97.3	Very high	97.8	Very high	56 Å²	56	51.2 Å²	51.2	58%	0.577	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	2.2	173.8	0	0	0	0	0	114.3	Y104 V108	Y104-G106 PolarHBondContact O-N 3.06Å; Y104-G106 VanDerWaalsContact O-N 3.12Å; G106-V108 PolarHBondContact O-N 3.46Å
107	V	98.5	Very high	97.9	Very high	17 Å²	17	52.7 Å²	52.7	10%	0.103	26%	0.26	C	S	.	.			trans	-68.2	128.4	171.7	-178.8	0	0	0	0	110.2	C58 Y61 T76 M78 W103 Y104 I109	C58-V107 HydrophobicContact CB-CG2 4.1Å; Y61-V107 HydrophobicContact CD1-CB 4.25Å; Y61-V107 HydrophobicContact CD1-CG1 4.22Å; Y61-V107 HydrophobicContact CD1-CG2 3.94Å; Y61-V107 HydrophobicContact CD2-CG1 4.29Å; Y61-V107 HydrophobicContact CG-CG1 4.06Å; Y61-V107 HydrophobicContact CG-CG2 4.35Å; T76-V107 HydrophobicContact CG2-CG1 4.3Å; M78-V107 HydrophobicContact SD-CG1 4.36Å; W103-V107 WeakPolarHBondContact O-CG2 3.22Å; Y104-V107 WeakPolarHBondContact O-CG2 3.48Å; Y104-V107 PolarHBondContact O-N 2.88Å; V107-I109 HydrophobicContact CG1-CG1 3.97Å
108	V	98.4	Very high	97.9	Very high	61 Å²	61	52.4 Å²	52.4	37%	0.37	26%	0.259	S	S	.	.			trans	-91.8	106.5	172.6	177.1	0	0	0	0	108.5	Y61 P71 T76 G106	Y61-V108 HydrophobicContact CE2-CB 4.36Å; Y61-V108 WeakPolarHBondContact OH-CG2 3.31Å; P71-V108 HydrophobicContact CB-CG2 4.38Å; T76-V108 WeakPolarHBondContact CB-O 3.44Å; G106-V108 PolarHBondContact O-N 3.46Å
109	I	98.5	Very high	98	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.062	28%	0.284	C	S	.	.			trans	-97.8	122	-179.2	-46.7	156.7	0	0	0	109.3	M78 D80 Y104 V107 Y111 R112	M78-I109 HydrophobicContact CE-CD1 3.19Å; M78-I109 HydrophobicContact CE-CG1 3.6Å; M78-I109 HydrophobicContact CG-CD1 4.19Å; M78-I109 HydrophobicContact CG-CG1 4.08Å; M78-I109 HydrophobicContact CG-CG2 3.69Å; M78-I109 HydrophobicContact SD-CD1 3.98Å; M78-I109 HydrophobicContact SD-CG1 3.73Å; M78-I109 HydrophobicContact SD-CG2 4.4Å; D80-I109 HydrophobicContact CB-CD1 4.11Å; D80-I109 VanDerWaalsContact CG-CD1 3.48Å; D80-I109 VanDerWaalsContact OD2-CD1 3.31Å; D80-I109 WeakPolarHBondContact OD2-CD1 3.37Å; Y104-I109 HydrophobicContact CE2-CD1 4.41Å; V107-I109 HydrophobicContact CG1-CG1 3.97Å; I109-Y111 WeakPolarHBondContact CG2-O 3.4Å; I109-R112 HydrophobicContact CB-CG 4.33Å; I109-R112 HydrophobicContact CG2-CG 3.62Å; I109-R112 PolarHBondContact O-NH1 3.29Å
110	D	98.7	Very high	98.2	Very high	36 Å²	36	56 Å²	56	19%	0.193	28%	0.275	C	S	.	.	S	Bend	trans	-91.7	-30.8	-176.2	-65.7	-70.3	0	0	0	112.8	I75 T76 K134	I75-D110 WeakPolarHBondContact CA-OD2 3.34Å; I75-D110 HydrophobicContact CG2-CB 4.32Å; T76-D110 PolarHBondContact N-OD2 3.28Å; T76-D110 PolarHBondContact O-N 3.44Å; D110-K134 HydrophobicContact CB-CB 4.15Å; D110-K134 VanDerWaalsContact CG-NZ 3.27Å; D110-K134 WeakPolarHBondContact OD1-CB 3.35Å; D110-K134 WeakPolarHBondContact OD1-CE 3.2Å; D110-K134 IonicContact OD1-NZ 3.78Å; D110-K134 PolarHBondContact OD1-NZ 2.94Å; D110-K134 IonicContact OD2-NZ 3.8Å; D110-K134 PolarHBondContact OD2-NZ 2.87Å
111	Y	98.8	Very high	98.3	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-132.5	125.9	177.9	-59.8	-91.6	0	0	0	110.3	I75 T76 M77 M78 I109 K115 V116 T120 V124 A131 G133 K134	I75-Y111 HydrophobicContact CG2-CD2 4.33Å; I75-Y111 HydrophobicContact CG2-CE2 3.94Å; T76-Y111 PolarHBondContact O-N 3.02Å; M77-Y111 HydrophobicContact CE-CG 4.4Å; M77-Y111 HydrophobicContact CG-CD2 3.69Å; M77-Y111 HydrophobicContact CG-CG 4.16Å; M77-Y111 HydrophobicContact SD-CD2 4.41Å; M78-Y111 PolarHBondContact N-O 3.49Å; M78-Y111 VanDerWaalsContact N-O 3.12Å; I109-Y111 WeakPolarHBondContact CG2-O 3.4Å; Y111-K115 HydrophobicContact CD1-CB 4.05Å; Y111-K115 HydrophobicContact CD1-CD 4.36Å; Y111-V116 WeakPolarHBondContact O-CG2 3.48Å; Y111-T120 HydrophobicContact CD1-CG2 3.55Å; Y111-T120 HydrophobicContact CE1-CG2 3.47Å; Y111-T120 VanDerWaalsContact CE1-CG2 3.47Å; Y111-T120 HydrophobicContact CG-CG2 4.29Å; Y111-V124 HydrophobicContact CD2-CG2 4.37Å; Y111-V124 HydrophobicContact CE1-CG2 4.39Å; Y111-V124 HydrophobicContact CE2-CG2 3.47Å; Y111-V124 VanDerWaalsContact CE2-CG2 3.47Å; Y111-V124 VanDerWaalsContact CZ-CG2 3.48Å; Y111-V124 WeakPolarHBondContact OH-CG2 3.48Å; Y111-A131 HydrophobicContact CE1-CB 4.27Å; Y111-A131 WeakPolarHBondContact OH-CB 3.34Å; Y111-G133 VanDerWaalsContact OH-CA 3.26Å; Y111-G133 WeakPolarHBondContact OH-CA 3.03Å; Y111-G133 PolarHBondContact OH-N 2.91Å; Y111-G133 PolarHBondContact OH-O 2.99Å; Y111-K134 WeakPolarHBondContact CE2-O 3.41Å; Y111-K134 PolarHBondContact OH-N 2.79Å; Y111-K134 PolarHBondContact OH-O 3.1Å
112	R	98.6	Very high	98.4	Very high	119 Å²	119	50.4 Å²	50.4	45%	0.449	25%	0.25	S	C	.	.			trans	-123.9	157.5	-178.3	-68	-179.1	178.2	77.4	-6.2	112.1	M78 D80 I109 K114 K115	M78-R112 WeakPolarHBondContact O-CA 3.45Å; D80-R112 HydrophobicContact CB-CB 4.49Å; D80-R112 HydrophobicContact CB-CG 3.93Å; D80-R112 VanDerWaalsContact OD2-CD 3.28Å; D80-R112 WeakPolarHBondContact OD2-CD 3.35Å; D80-R112 IonicContact OD2-CZ 2.66Å; D80-R112 IonicContact OD2-NE 3.99Å; D80-R112 PolarHBondContact OD2-NE 2.95Å; I109-R112 HydrophobicContact CB-CG 4.33Å; I109-R112 HydrophobicContact CG2-CG 3.62Å; I109-R112 PolarHBondContact O-NH1 3.29Å; R112-K114 PolarHBondContact O-N 3.41Å; R112-K115 WeakPolarHBondContact O-CB 3.4Å; R112-K115 PolarHBondContact O-N 3.25Å; R112-K115 VanDerWaalsContact O-N 3.17Å
113	G	98.3	Very high	98.5	Very high	16 Å²	16	52 Å²	52	17%	0.165	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	51.4	-134.6	176.2	0	0	0	0	0	112.4	Y79 K115 V116	Y79-G113 VanDerWaalsContact CD2-C 3.49Å; Y79-G113 WeakPolarHBondContact CD2-O 3.48Å; Y79-G113 PolarHBondContact O-N 2.67Å; G113-K115 PolarHBondContact O-N 2.91Å; G113-V116 WeakPolarHBondContact O-CB 3.31Å; G113-V116 PolarHBondContact O-N 2.77Å
114	K	98	Very high	98.5	Very high	162 Å²	162	51.3 Å²	51.3	70%	0.704	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-58.6	-11.9	-179.1	-63.1	-172.3	175.4	-173.6	0	115.5	R112 N117	R112-K114 PolarHBondContact O-N 3.41Å; K114-N117 PolarHBondContact O-ND2 3.29Å
115	K	98.4	Very high	98.5	Very high	112 Å²	112	49.5 Å²	49.5	49%	0.487	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-77	-12.9	173	-62.4	-172.2	176	-175.2	0	112.9	Y111 R112 G113 N117 T120	Y111-K115 HydrophobicContact CD1-CB 4.05Å; Y111-K115 HydrophobicContact CD1-CD 4.36Å; R112-K115 WeakPolarHBondContact O-CB 3.4Å; R112-K115 PolarHBondContact O-N 3.25Å; R112-K115 VanDerWaalsContact O-N 3.17Å; G113-K115 PolarHBondContact O-N 2.91Å; K115-N117 PolarHBondContact O-N 3.11Å; K115-T120 VanDerWaalsContact O-CB 3.3Å; K115-T120 WeakPolarHBondContact O-CB 3.49Å; K115-T120 WeakPolarHBondContact O-CG2 3.5Å; K115-T120 PolarHBondContact O-OG1 3.31Å
116	V	98.7	Very high	98.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.			trans	-83.9	97.1	171	-175.4	0	0	0	0	107.1	M77 Y111 G113 F159 P160	M77-V116 HydrophobicContact CB-CG2 4.45Å; Y111-V116 WeakPolarHBondContact O-CG2 3.48Å; G113-V116 WeakPolarHBondContact O-CB 3.31Å; G113-V116 PolarHBondContact O-N 2.77Å; V116-F159 HydrophobicContact CG1-CD1 4.08Å; V116-F159 HydrophobicContact CG1-CE1 4.3Å; V116-P160 HydrophobicContact CB-CG 4.23Å; V116-P160 HydrophobicContact CG1-CG 4.07Å; V116-P160 WeakPolarHBondContact O-CD 3.47Å; V116-P160 WeakPolarHBondContact O-CG 3.45Å
117	N	98.7	Very high	98.6	Very high	31 Å²	31	43.3 Å²	43.3	17%	0.166	21%	0.207	C	C	.	.	S	Bend	trans	-155.4	162.2	178.4	58.1	66.1	0	0	0	109.9	K114 K115 K119 T120 F121 F159 D162	K114-N117 PolarHBondContact O-ND2 3.29Å; K115-N117 PolarHBondContact O-N 3.11Å; N117-K119 VanDerWaalsContact C-N 3.3Å; N117-K119 PolarHBondContact O-N 3.04Å; N117-K119 PolarHBondContact OD1-N 3.16Å; N117-T120 PolarHBondContact ND2-OG1 3.2Å; N117-T120 PolarHBondContact O-N 2.96Å; N117-T120 WeakPolarHBondContact OD1-CB 3.47Å; N117-T120 PolarHBondContact OD1-N 3.18Å; N117-T120 PolarHBondContact OD1-OG1 3.01Å; N117-F121 PolarHBondContact O-N 3.44Å; N117-F159 VanDerWaalsContact CA-CD1 3.41Å; N117-D162 WeakPolarHBondContact CA-OD1 3.12Å; N117-D162 WeakPolarHBondContact CB-OD1 3.35Å
118	S	98.6	Very high	98.6	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.028	22%	0.218	C	C	.	.	H	α-helix	trans	-56.6	-43.5	-176.3	73.5	0	0	0	0	112	T120 F121 L122 D162 E163	S118-T120 PolarHBondContact O-N 2.9Å; S118-F121 WeakPolarHBondContact O-CB 3.45Å; S118-F121 PolarHBondContact O-N 3.22Å; S118-L122 WeakPolarHBondContact O-CG 3.43Å; S118-L122 PolarHBondContact O-N 3.38Å; S118-D162 WeakPolarHBondContact CB-OD2 3.48Å; S118-D162 PolarHBondContact N-OD1 2.95Å; S118-D162 PolarHBondContact N-OD2 2.84Å; S118-D162 PolarHBondContact OG-OD2 2.99Å; S118-E163 WeakPolarHBondContact CB-O 3.37Å; S118-E163 PolarHBondContact OG-O 3.41Å
119	K	98.6	Very high	98.5	Very high	146 Å²	146	50.8 Å²	50.8	64%	0.635	24%	0.236	S	C	*	.	H	α-helix	trans	-62.6	-43.2	-177.5	-65.7	174.5	-176.1	168.9	0	111.7	N117 K123	N117-K119 VanDerWaalsContact C-N 3.3Å; N117-K119 PolarHBondContact O-N 3.04Å; N117-K119 PolarHBondContact OD1-N 3.16Å; K119-K123 WeakPolarHBondContact O-CG 3.37Å; K119-K123 PolarHBondContact O-N 3.13Å; K119-K123 VanDerWaalsContact O-N 3.08Å
120	T	98.8	Very high	98.5	Very high	17 Å²	17	53.5 Å²	53.5	10%	0.104	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-43.3	178.2	-55.7	0	0	0	0	110.2	M77 Y111 K115 N117 S118 L122 K123 V124 A131	M77-T120 HydrophobicContact CE-CG2 4.01Å; Y111-T120 HydrophobicContact CD1-CG2 3.55Å; Y111-T120 HydrophobicContact CE1-CG2 3.47Å; Y111-T120 VanDerWaalsContact CE1-CG2 3.47Å; Y111-T120 HydrophobicContact CG-CG2 4.29Å; K115-T120 VanDerWaalsContact O-CB 3.3Å; K115-T120 WeakPolarHBondContact O-CB 3.49Å; K115-T120 WeakPolarHBondContact O-CG2 3.5Å; K115-T120 PolarHBondContact O-OG1 3.31Å; N117-T120 PolarHBondContact ND2-OG1 3.2Å; N117-T120 PolarHBondContact O-N 2.96Å; N117-T120 WeakPolarHBondContact OD1-CB 3.47Å; N117-T120 PolarHBondContact OD1-N 3.18Å; N117-T120 PolarHBondContact OD1-OG1 3.01Å; S118-T120 PolarHBondContact O-N 2.9Å; T120-L122 PolarHBondContact O-N 3.28Å; T120-K123 PolarHBondContact O-N 3.17Å; T120-V124 HydrophobicContact CG2-CG2 4.45Å; T120-V124 WeakPolarHBondContact O-CG2 3.25Å; T120-V124 PolarHBondContact O-N 3.01Å; T120-A131 HydrophobicContact CG2-CB 4.31Å
121	F	98.9	Very high	98.4	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.009	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-48	175.7	171.8	-118.1	0	0	0	112	V40 V42 M77 N117 S118 K123 V124 L125 I146 F159 L164 F169	V40-F121 HydrophobicContact CG1-CD2 4.25Å; V40-F121 HydrophobicContact CG1-CE2 3.91Å; V42-F121 HydrophobicContact CG2-CD2 3.71Å; V42-F121 HydrophobicContact CG2-CE2 3.71Å; M77-F121 HydrophobicContact CE-CB 3.99Å; M77-F121 HydrophobicContact SD-CB 3.96Å; M77-F121 HydrophobicContact SD-CD2 3.99Å; M77-F121 HydrophobicContact SD-CG 4.47Å; N117-F121 PolarHBondContact O-N 3.44Å; S118-F121 WeakPolarHBondContact O-CB 3.45Å; S118-F121 PolarHBondContact O-N 3.22Å; F121-K123 VanDerWaalsContact C-N 3.31Å; F121-K123 PolarHBondContact O-N 3.07Å; F121-V124 WeakPolarHBondContact O-CB 3.32Å; F121-V124 PolarHBondContact O-N 3.1Å; F121-V124 VanDerWaalsContact O-N 3.15Å; F121-L125 HydrophobicContact CD1-CD1 4.4Å; F121-L125 HydrophobicContact CD2-CG 4.28Å; F121-L125 HydrophobicContact CE1-CD1 3.81Å; F121-L125 HydrophobicContact CE1-CG 4.49Å; F121-L125 HydrophobicContact CE2-CD1 4.01Å; F121-L125 HydrophobicContact CE2-CD2 3.88Å; F121-L125 HydrophobicContact CE2-CG 3.92Å; F121-L125 HydrophobicContact CZ-CD1 3.6Å; F121-L125 HydrophobicContact CZ-CD2 4.2Å; F121-L125 HydrophobicContact CZ-CG 4.05Å; F121-L125 WeakPolarHBondContact O-CG 3.34Å; F121-L125 PolarHBondContact O-N 3.24Å; F121-I146 HydrophobicContact CE2-CG2 4.35Å; F121-I146 HydrophobicContact CZ-CG2 4.11Å; F121-F159 HydrophobicContact CB-CE1 4.08Å; F121-F159 HydrophobicContact CB-CE2 4.5Å; F121-F159 HydrophobicContact CB-CZ 3.6Å; F121-F159 HydrophobicContact CD1-CE2 4.3Å; F121-F159 AromaticContact CD1-CZ 3.9Å; F121-F159 HydrophobicContact CD1-CZ 3.9Å; F121-F159 AromaticContact CG-CZ 3.83Å; F121-F159 HydrophobicContact CG-CZ 3.83Å; F121-L164 HydrophobicContact CD1-CD2 3.77Å; F121-L164 HydrophobicContact CE1-CD2 3.68Å; F121-F169 HydrophobicContact CE1-CD2 4.34Å; F121-F169 AromaticContact CE1-CE2 3.99Å; F121-F169 HydrophobicContact CE1-CE2 3.99Å; F121-F169 HydrophobicContact CZ-CE2 4.26Å
122	L	98.9	Very high	98.2	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-35.2	177.8	-63.1	-177.7	0	0	0	112.6	S118 T120 K126 L164 Q168 F169 T172	S118-L122 WeakPolarHBondContact O-CG 3.43Å; S118-L122 PolarHBondContact O-N 3.38Å; T120-L122 PolarHBondContact O-N 3.28Å; L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 WeakPolarHBondContact O-CG 3.3Å; L122-K126 PolarHBondContact O-N 2.99Å; L122-K126 VanDerWaalsContact O-N 3.1Å; L122-L164 HydrophobicContact CD1-CD1 3.96Å; L122-L164 HydrophobicContact CD2-CD1 3.95Å; L122-L164 HydrophobicContact CD2-CD2 4.26Å; L122-L164 HydrophobicContact CG-CD1 4.21Å; L122-Q168 VanDerWaalsContact CD1-CD 3.43Å; L122-Q168 HydrophobicContact CD1-CG 3.66Å; L122-F169 HydrophobicContact CD2-CD2 4.42Å; L122-T172 HydrophobicContact CD2-CG2 3.97Å
123	K	98.8	Very high	98.1	Very high	77 Å²	77	51 Å²	51	34%	0.335	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-42.2	172.6	-73.2	178.8	176	-164.7	0	112.2	K119 T120 F121 L125 K126 G127 D128 S130 A131	K119-K123 WeakPolarHBondContact O-CG 3.37Å; K119-K123 PolarHBondContact O-N 3.13Å; K119-K123 VanDerWaalsContact O-N 3.08Å; T120-K123 PolarHBondContact O-N 3.17Å; F121-K123 VanDerWaalsContact C-N 3.31Å; F121-K123 PolarHBondContact O-N 3.07Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 3.19Å; K123-K126 PolarHBondContact O-N 3.26Å; K123-G127 PolarHBondContact O-N 3.3Å; K123-G127 VanDerWaalsContact O-N 3.08Å; K123-D128 HydrophobicContact CB-CB 4.05Å; K123-D128 HydrophobicContact CG-CB 4.28Å; K123-D128 PolarHBondContact O-N 2.81Å; K123-S130 WeakPolarHBondContact CE-OG 3.43Å; K123-S130 PolarHBondContact NZ-OG 3.25Å; K123-A131 HydrophobicContact CB-CB 3.84Å; K123-A131 HydrophobicContact CD-CB 4.47Å
124	V	98.9	Very high	98.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.4	-50.5	174.8	162.9	0	0	0	0	110.4	V40 I75 M77 Y111 T120 F121 K126 G127 A131 V135 L136	V40-V124 HydrophobicContact CG1-CG1 4.26Å; I75-V124 HydrophobicContact CB-CG1 4.43Å; I75-V124 HydrophobicContact CD1-CG1 3.8Å; I75-V124 HydrophobicContact CG2-CG1 3.82Å; M77-V124 HydrophobicContact SD-CG2 4.36Å; Y111-V124 HydrophobicContact CD2-CG2 4.37Å; Y111-V124 HydrophobicContact CE1-CG2 4.39Å; Y111-V124 HydrophobicContact CE2-CG2 3.47Å; Y111-V124 VanDerWaalsContact CE2-CG2 3.47Å; Y111-V124 VanDerWaalsContact CZ-CG2 3.48Å; Y111-V124 WeakPolarHBondContact OH-CG2 3.48Å; T120-V124 HydrophobicContact CG2-CG2 4.45Å; T120-V124 WeakPolarHBondContact O-CG2 3.25Å; T120-V124 PolarHBondContact O-N 3.01Å; F121-V124 WeakPolarHBondContact O-CB 3.32Å; F121-V124 PolarHBondContact O-N 3.1Å; F121-V124 VanDerWaalsContact O-N 3.15Å; V124-K126 VanDerWaalsContact C-N 3.34Å; V124-K126 PolarHBondContact O-N 3.43Å; V124-G127 PolarHBondContact O-N 3.36Å; V124-G127 VanDerWaalsContact O-N 3.12Å; V124-A131 HydrophobicContact CG2-CB 4.23Å; V124-V135 HydrophobicContact CG2-CG1 4.38Å; V124-L136 VanDerWaalsContact O-CB 3.24Å; V124-L136 WeakPolarHBondContact O-CB 3.31Å; V124-L136 PolarHBondContact O-N 2.89Å
125	L	98.8	Very high	98.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-44.6	178	-67.2	-172.8	0	0	0	111.9	V40 F121 K123 G127 I146 F169 T172 L176	V40-L125 HydrophobicContact CG1-CD2 4.48Å; V40-L125 HydrophobicContact CG2-CD2 4.11Å; F121-L125 HydrophobicContact CD1-CD1 4.4Å; F121-L125 HydrophobicContact CD2-CG 4.28Å; F121-L125 HydrophobicContact CE1-CD1 3.81Å; F121-L125 HydrophobicContact CE1-CG 4.49Å; F121-L125 HydrophobicContact CE2-CD1 4.01Å; F121-L125 HydrophobicContact CE2-CD2 3.88Å; F121-L125 HydrophobicContact CE2-CG 3.92Å; F121-L125 HydrophobicContact CZ-CD1 3.6Å; F121-L125 HydrophobicContact CZ-CD2 4.2Å; F121-L125 HydrophobicContact CZ-CG 4.05Å; F121-L125 WeakPolarHBondContact O-CG 3.34Å; F121-L125 PolarHBondContact O-N 3.24Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 3.19Å; L125-G127 PolarHBondContact O-N 2.89Å; L125-I146 HydrophobicContact CD1-CD1 4.28Å; L125-I146 HydrophobicContact CD2-CD1 3.58Å; L125-I146 HydrophobicContact CD2-CG1 4.23Å; L125-F169 HydrophobicContact CD1-CE2 4Å; L125-T172 HydrophobicContact CB-CG2 4.26Å; L125-T172 HydrophobicContact CD1-CG2 4.21Å; L125-L176 HydrophobicContact CB-CD1 4.2Å; L125-L176 HydrophobicContact CB-CD2 4.38Å; L125-L176 WeakPolarHBondContact O-CD2 3.32Å
126	K	98.6	Very high	98.1	Very high	70 Å²	70	40 Å²	40	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-70.6	-8.9	179.8	-68.3	175.8	-177.8	175.9	0	113.7	L122 K123 V124 D128 T172 Y175 L176	L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 WeakPolarHBondContact O-CG 3.3Å; L122-K126 PolarHBondContact O-N 2.99Å; L122-K126 VanDerWaalsContact O-N 3.1Å; K123-K126 PolarHBondContact O-N 3.26Å; V124-K126 VanDerWaalsContact C-N 3.34Å; V124-K126 PolarHBondContact O-N 3.43Å; K126-D128 VanDerWaalsContact C-N 3.26Å; K126-T172 HydrophobicContact CG-CG2 4.12Å; K126-Y175 HydrophobicContact CB-CD1 4.43Å; K126-Y175 HydrophobicContact CB-CE1 3.93Å; K126-Y175 HydrophobicContact CD-CD1 4.2Å; K126-Y175 HydrophobicContact CD-CE1 4.2Å; K126-Y175 HydrophobicContact CG-CD1 3.69Å; K126-Y175 HydrophobicContact CG-CE1 3.67Å; K126-L176 HydrophobicContact CG-CD2 4.48Å
127	G	98.3	Very high	98	Very high	17 Å²	17	47.3 Å²	47.3	18%	0.175	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	21.4	-173	0	0	0	0	0	113.6	K123 V124 L125 K129 L136	K123-G127 PolarHBondContact O-N 3.3Å; K123-G127 VanDerWaalsContact O-N 3.08Å; V124-G127 PolarHBondContact O-N 3.36Å; V124-G127 VanDerWaalsContact O-N 3.12Å; L125-G127 PolarHBondContact O-N 2.89Å; G127-K129 PolarHBondContact O-N 3.3Å; G127-L136 VanDerWaalsContact CA-O 3.3Å; G127-L136 WeakPolarHBondContact CA-O 3.41Å
128	D	98.2	Very high	98	Very high	64 Å²	64	46 Å²	46	34%	0.342	25%	0.248	S	C	.	.			trans	-78.9	107.3	-179.4	176.4	6.6	0	0	0	110.3	K123 K126 S130 A131 V135	K123-D128 HydrophobicContact CB-CB 4.05Å; K123-D128 HydrophobicContact CG-CB 4.28Å; K123-D128 PolarHBondContact O-N 2.81Å; K126-D128 VanDerWaalsContact C-N 3.26Å; D128-S130 PolarHBondContact O-N 2.97Å; D128-S130 WeakPolarHBondContact OD1-CB 3.37Å; D128-S130 PolarHBondContact OD1-N 2.89Å; D128-S130 PolarHBondContact OD1-OG 2.54Å; D128-S130 PolarHBondContact OD2-OG 3.15Å; D128-A131 WeakPolarHBondContact O-CB 3.42Å; D128-A131 PolarHBondContact O-N 3.12Å; D128-V135 WeakPolarHBondContact O-CG1 3.34Å
129	K	96.9	Very high	97.9	Very high	171 Å²	171	46.9 Å²	46.9	74%	0.743	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-57.6	-19	179.5	-63	-177.7	-177.7	177.4	0	113.5	G127 A131 G132 V135	G127-K129 PolarHBondContact O-N 3.3Å; K129-A131 PolarHBondContact O-N 2.82Å; K129-A131 VanDerWaalsContact O-N 3.11Å; K129-G132 PolarHBondContact O-N 3.09Å; K129-G132 VanDerWaalsContact O-N 3.16Å; K129-V135 HydrophobicContact CG-CG2 4.45Å
130	S	97.9	Very high	97.8	Very high	69 Å²	69	46.2 Å²	46.2	48%	0.483	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-65.6	-6.3	173.2	87.9	0	0	0	0	113.7	K123 D128 G132	K123-S130 WeakPolarHBondContact CE-OG 3.43Å; K123-S130 PolarHBondContact NZ-OG 3.25Å; D128-S130 PolarHBondContact O-N 2.97Å; D128-S130 WeakPolarHBondContact OD1-CB 3.37Å; D128-S130 PolarHBondContact OD1-N 2.89Å; D128-S130 PolarHBondContact OD1-OG 2.54Å; D128-S130 PolarHBondContact OD2-OG 3.15Å; S130-G132 PolarHBondContact O-N 3.47Å
131	A	97.3	Very high	97.7	Very high	13 Å²	13	50.7 Å²	50.7	11%	0.107	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-60.3	-25.5	167.7	0	0	0	0	0	112.8	Y111 T120 K123 V124 D128 K129 V135	Y111-A131 HydrophobicContact CE1-CB 4.27Å; Y111-A131 WeakPolarHBondContact OH-CB 3.34Å; T120-A131 HydrophobicContact CG2-CB 4.31Å; K123-A131 HydrophobicContact CB-CB 3.84Å; K123-A131 HydrophobicContact CD-CB 4.47Å; V124-A131 HydrophobicContact CG2-CB 4.23Å; D128-A131 WeakPolarHBondContact O-CB 3.42Å; D128-A131 PolarHBondContact O-N 3.12Å; K129-A131 PolarHBondContact O-N 2.82Å; K129-A131 VanDerWaalsContact O-N 3.11Å; A131-V135 HydrophobicContact CB-CG1 3.77Å
132	G	95	Very high	97.7	Very high	53 Å²	53	51.8 Å²	51.8	55%	0.546	28%	0.284	S	S	.	.	S	Bend	trans	78.1	27.4	177.3	0	0	0	0	0	114.5	K129 S130	K129-G132 PolarHBondContact O-N 3.09Å; K129-G132 VanDerWaalsContact O-N 3.16Å; S130-G132 PolarHBondContact O-N 3.47Å
133	G	95.9	Very high	97.6	Very high	37 Å²	37	52.3 Å²	52.3	38%	0.381	29%	0.287	S	S	.	.	S	Bend	trans	-164.2	-161.7	177	0	0	0	0	0	112.2	Y111	Y111-G133 VanDerWaalsContact OH-CA 3.26Å; Y111-G133 WeakPolarHBondContact OH-CA 3.03Å; Y111-G133 PolarHBondContact OH-N 2.91Å; Y111-G133 PolarHBondContact OH-O 2.99Å
134	K	98.3	Very high	97.6	Very high	49 Å²	49	48.7 Å²	48.7	21%	0.213	27%	0.272	C	S	.	.			trans	-63.6	135.6	174.3	-168.3	-170.1	-69.1	153.4	0	109.5	P71 I74 I75 D110 Y111	P71-K134 PolarHBondContact O-NZ 2.76Å; I74-K134 WeakPolarHBondContact O-CD 3.4Å; I74-K134 PolarHBondContact O-NZ 3.21Å; I75-K134 HydrophobicContact CB-CD 4.46Å; I75-K134 HydrophobicContact CD1-CG 4.49Å; I75-K134 HydrophobicContact CG1-CD 3.69Å; I75-K134 HydrophobicContact CG1-CG 3.96Å; D110-K134 HydrophobicContact CB-CB 4.15Å; D110-K134 VanDerWaalsContact CG-NZ 3.27Å; D110-K134 WeakPolarHBondContact OD1-CB 3.35Å; D110-K134 WeakPolarHBondContact OD1-CE 3.2Å; D110-K134 IonicContact OD1-NZ 3.78Å; D110-K134 PolarHBondContact OD1-NZ 2.94Å; D110-K134 IonicContact OD2-NZ 3.8Å; D110-K134 PolarHBondContact OD2-NZ 2.87Å; Y111-K134 WeakPolarHBondContact CE2-O 3.41Å; Y111-K134 PolarHBondContact OH-N 2.79Å; Y111-K134 PolarHBondContact OH-O 3.1Å
135	V	98.5	Very high	97.6	Very high	8 Å²	8	48.7 Å²	48.7	5%	0.048	27%	0.272	C	S	.	.			trans	-131.2	159.3	179.3	-59.9	0	0	0	0	109.8	V124 D128 K129 A131 K137	V124-V135 HydrophobicContact CG2-CG1 4.38Å; D128-V135 WeakPolarHBondContact O-CG1 3.34Å; K129-V135 HydrophobicContact CG-CG2 4.45Å; A131-V135 HydrophobicContact CB-CG1 3.77Å; V135-K137 PolarHBondContact O-N 2.82Å
136	L	97.6	Very high	97.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	27%	0.272	C	S	.	.			trans	-65.2	119.3	-177.9	-170	68.3	0	0	0	109.3	W38 V40 I75 V124 G127 S138 V144 R181	W38-L136 HydrophobicContact CB-CD1 3.56Å; W38-L136 HydrophobicContact CD2-CD1 4.02Å; W38-L136 HydrophobicContact CE3-CD1 3.93Å; W38-L136 HydrophobicContact CG-CD1 3.9Å; V40-L136 HydrophobicContact CG2-CD1 4.37Å; I75-L136 HydrophobicContact CD1-CB 4.13Å; I75-L136 HydrophobicContact CD1-CD1 4.49Å; I75-L136 VanDerWaalsContact CD1-N 3.26Å; V124-L136 VanDerWaalsContact O-CB 3.24Å; V124-L136 WeakPolarHBondContact O-CB 3.31Å; V124-L136 PolarHBondContact O-N 2.89Å; G127-L136 VanDerWaalsContact CA-O 3.3Å; G127-L136 WeakPolarHBondContact CA-O 3.41Å; L136-S138 VanDerWaalsContact CD2-OG 3.23Å; L136-S138 WeakPolarHBondContact CD2-OG 3.36Å; L136-S138 WeakPolarHBondContact CG-OG 3.36Å; L136-V144 HydrophobicContact CD1-CG1 4.27Å; L136-V144 HydrophobicContact CD1-CG2 4.41Å; L136-V144 HydrophobicContact CD2-CG1 4.18Å; L136-V144 HydrophobicContact CD2-CG2 4.27Å; L136-R181 PolarHBondContact O-NH2 2.87Å
137	K	97.5	Very high	97.7	Very high	153 Å²	153	45.4 Å²	45.4	67%	0.665	26%	0.257	S	S	*	.			trans	-105.3	10.9	176.9	-60.5	178.1	-175.9	170.7	0	112.9	W38 V135	W38-K137 HydrophobicContact CH2-CB 3.68Å; W38-K137 HydrophobicContact CH2-CD 4.4Å; W38-K137 HydrophobicContact CH2-CG 4.27Å; W38-K137 HydrophobicContact CZ2-CB 3.86Å; W38-K137 HydrophobicContact CZ3-CB 4.37Å; V135-K137 PolarHBondContact O-N 2.82Å
138	S	97.6	Very high	97.7	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.021	25%	0.25	C	C	.	.			trans	-61	148.8	175.6	62.7	0	0	0	0	111.8	L136 D142 R181	L136-S138 VanDerWaalsContact CD2-OG 3.23Å; L136-S138 WeakPolarHBondContact CD2-OG 3.36Å; L136-S138 WeakPolarHBondContact CG-OG 3.36Å; S138-D142 WeakPolarHBondContact CA-OD2 3.4Å; S138-R181 CarbonylContact C-O 3.53Å; S138-R181 VanDerWaalsContact CB-O 3.29Å; S138-R181 WeakPolarHBondContact CB-O 3.23Å; S138-R181 PolarHBondContact OG-O 2.87Å
139	G	96.6	Very high	97.7	Very high	23 Å²	23	41.7 Å²	41.7	24%	0.237	23%	0.233	C	C	.	.			trans	-130.8	-161	173.2	0	0	0	0	0	111.8	N141 D142 K180 Y182	G139-N141 PolarHBondContact O-N 2.9Å; G139-D142 PolarHBondContact N-OD2 3.24Å; G139-D142 PolarHBondContact O-N 2.82Å; G139-K180 CarbonylContact C-O 3.56Å; G139-K180 WeakPolarHBondContact CA-O 3.39Å; G139-Y182 CarbonylContact O-C 3.32Å; G139-Y182 VanDerWaalsContact O-CA 3.23Å; G139-Y182 WeakPolarHBondContact O-CA 3.29Å; G139-Y182 PolarHBondContact O-N 2.93Å
140	K	97.1	Very high	97.8	Very high	133 Å²	133	33.8 Å²	33.8	58%	0.578	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.5	-170.9	69.7	179.4	-177.4	176	0	116	K180 S183	K140-K180 WeakPolarHBondContact CA-O 3.48Å; K140-K180 HydrophobicContact CB-CB 3.9Å; K140-K180 PolarHBondContact N-O 2.85Å; K140-S183 VanDerWaalsContact O-CB 3.31Å; K140-S183 WeakPolarHBondContact O-CB 3.31Å
141	N	96.5	Very high	97.8	Very high	111 Å²	111	31 Å²	31	59%	0.594	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	2.6	-177.1	-65.1	-20.2	0	0	0	112.3	G139	G139-N141 PolarHBondContact O-N 2.9Å
142	D	97.9	Very high	97.8	Very high	24 Å²	24	30.4 Å²	30.4	13%	0.128	17%	0.174	C	C	.	.			trans	-106	135.6	-175.1	-64.4	-80.6	0	0	0	110.9	N36 W38 S138 G139 Y182 S183	N36-D142 VanDerWaalsContact CA-OD1 3.27Å; N36-D142 WeakPolarHBondContact CA-OD1 3.37Å; N36-D142 CarbonylContact O-C 3.44Å; N36-D142 WeakPolarHBondContact O-CA 3.18Å; N36-D142 WeakPolarHBondContact O-CB 3.5Å; W38-D142 PolarHBondContact NE1-OD1 3.46Å; S138-D142 WeakPolarHBondContact CA-OD2 3.4Å; G139-D142 PolarHBondContact N-OD2 3.24Å; G139-D142 PolarHBondContact O-N 2.82Å; D142-Y182 CarbonylContact O-C 3.53Å; D142-Y182 VanDerWaalsContact O-CA 3.29Å; D142-Y182 WeakPolarHBondContact O-CA 3.37Å; D142-S183 PolarHBondContact O-N 2.99Å
143	D	98.3	Very high	98	Very high	21 Å²	21	27.9 Å²	27.9	11%	0.112	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.9	172.4	-72.7	-32.2	0	0	0	109.6	N36 K37 W38 S183 K184 E287 F288	N36-D143 PolarHBondContact O-N 2.87Å; K37-D143 WeakPolarHBondContact CA-O 3.27Å; W38-D143 PolarHBondContact N-O 3.38Å; D143-S183 WeakPolarHBondContact OD1-CB 3.43Å; D143-K184 WeakPolarHBondContact CA-O 3.46Å; D143-K184 VanDerWaalsContact OD1-CB 3.24Å; D143-K184 WeakPolarHBondContact OD1-CB 3.41Å; D143-K184 WeakPolarHBondContact OD1-CG 3.46Å; D143-K184 PolarHBondContact OD1-N 3.4Å; D143-K184 IonicContact OD1-NZ 2.87Å; D143-K184 IonicContact OD2-NZ 2.89Å; D143-K184 PolarHBondContact OD2-NZ 3.48Å; D143-K184 VanDerWaalsContact OD2-NZ 3.14Å; D143-E287 WeakPolarHBondContact CB-O 3.29Å; D143-F288 HydrophobicContact CB-CD1 4.02Å; D143-F288 HydrophobicContact CB-CE1 3.99Å
144	V	98.7	Very high	98.1	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.3	-173	-178.1	0	0	0	0	110.2	W38 L136 I146 K184 L185 V186	W38-V144 HydrophobicContact CB-CG2 4.3Å; W38-V144 CarbonylContact O-C 3.15Å; W38-V144 WeakPolarHBondContact O-CA 3.37Å; L136-V144 HydrophobicContact CD1-CG1 4.27Å; L136-V144 HydrophobicContact CD1-CG2 4.41Å; L136-V144 HydrophobicContact CD2-CG1 4.18Å; L136-V144 HydrophobicContact CD2-CG2 4.27Å; V144-I146 HydrophobicContact CG1-CG1 4.19Å; V144-K184 PolarHBondContact N-O 3.36Å; V144-L185 HydrophobicContact CB-CD1 3.69Å; V144-L185 HydrophobicContact CG1-CD1 3.64Å; V144-L185 CarbonylContact O-C 3.57Å; V144-L185 WeakPolarHBondContact O-CA 3.14Å; V144-L185 WeakPolarHBondContact O-CD1 3.46Å; V144-V186 PolarHBondContact O-N 3.29Å
145	F	98.9	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.7	170.1	178.8	-121.1	0	0	0	110	W38 A39 V40 L41 L64 V186 Y188 W242 F288 Q289	W38-F145 PolarHBondContact O-N 2.66Å; A39-F145 CarbonylContact C-O 3.19Å; A39-F145 WeakPolarHBondContact CA-O 3.13Å; A39-F145 HydrophobicContact CB-CD1 4.38Å; V40-F145 PolarHBondContact N-O 3.47Å; L41-F145 HydrophobicContact CD2-CE1 4.28Å; L64-F145 HydrophobicContact CD1-CD1 4.08Å; L64-F145 HydrophobicContact CD1-CE1 4.36Å; L64-F145 HydrophobicContact CD2-CD1 4.34Å; L64-F145 HydrophobicContact CD2-CE1 4.46Å; F145-V186 CarbonylContact C-O 3.59Å; F145-V186 WeakPolarHBondContact CA-O 3.46Å; F145-V186 HydrophobicContact CD2-CB 4.11Å; F145-V186 HydrophobicContact CD2-CG1 3.8Å; F145-V186 HydrophobicContact CE2-CG1 4.03Å; F145-Y188 HydrophobicContact CE2-CD1 4.19Å; F145-Y188 AromaticContact CE2-CD2 3.59Å; F145-Y188 HydrophobicContact CE2-CD2 3.59Å; F145-Y188 HydrophobicContact CE2-CE1 4.41Å; F145-Y188 AromaticContact CE2-CE2 3.88Å; F145-Y188 HydrophobicContact CE2-CE2 3.88Å; F145-Y188 AromaticContact CE2-CG 3.76Å; F145-Y188 HydrophobicContact CE2-CG 3.76Å; F145-Y188 AromaticContact CZ-CD2 3.71Å; F145-Y188 HydrophobicContact CZ-CD2 3.71Å; F145-Y188 HydrophobicContact CZ-CE2 4.19Å; F145-Y188 HydrophobicContact CZ-CG 4.16Å; F145-W242 AromaticContact CE1-CH2 3.9Å; F145-W242 HydrophobicContact CE1-CH2 3.9Å; F145-W242 HydrophobicContact CE1-CZ3 4.22Å; F145-W242 AromaticContact CZ-CH2 3.75Å; F145-W242 HydrophobicContact CZ-CH2 3.75Å; F145-W242 HydrophobicContact CZ-CZ2 4.27Å; F145-W242 AromaticContact CZ-CZ3 3.9Å; F145-W242 HydrophobicContact CZ-CZ3 3.9Å; F145-F288 HydrophobicContact CB-CB 4.29Å; F145-Q289 HydrophobicContact CD1-CG 4.28Å; F145-Q289 HydrophobicContact CD2-CG 4.4Å; F145-Q289 HydrophobicContact CE1-CG 4.4Å; F145-Q289 HydrophobicContact CG-CG 4.28Å
146	I	98.9	Very high	98.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.7	173.1	-60.6	174.2	0	0	0	107.6	V40 F121 L125 V144 L185 V186 I187 Y188	V40-I146 HydrophobicContact CB-CG1 4.35Å; V40-I146 WeakPolarHBondContact O-CA 3.42Å; F121-I146 HydrophobicContact CE2-CG2 4.35Å; F121-I146 HydrophobicContact CZ-CG2 4.11Å; L125-I146 HydrophobicContact CD1-CD1 4.28Å; L125-I146 HydrophobicContact CD2-CD1 3.58Å; L125-I146 HydrophobicContact CD2-CG1 4.23Å; V144-I146 HydrophobicContact CG1-CG1 4.19Å; I146-L185 HydrophobicContact CD1-CD1 3.69Å; I146-L185 HydrophobicContact CD1-CD2 4.38Å; I146-L185 HydrophobicContact CG1-CD1 3.85Å; I146-V186 PolarHBondContact N-O 2.98Å; I146-I187 HydrophobicContact CB-CG1 4.34Å; I146-I187 HydrophobicContact CB-CG2 4.16Å; I146-I187 HydrophobicContact CD1-CG1 4.43Å; I146-I187 HydrophobicContact CG2-CG2 4.22Å; I146-I187 CarbonylContact O-C 3.48Å; I146-I187 VanDerWaalsContact O-CA 3.31Å; I146-I187 WeakPolarHBondContact O-CA 3.35Å; I146-Y188 PolarHBondContact O-N 3.3Å
147	Y	99	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.4	168.9	168.8	-123.1	0	0	0	109.5	V40 L41 V42 D56 V57 A60 T149 Y188 E190 S239 W242	V40-Y147 PolarHBondContact O-N 3Å; L41-Y147 WeakPolarHBondContact CA-O 3.46Å; L41-Y147 HydrophobicContact CD2-CD1 4.18Å; V42-Y147 PolarHBondContact N-O 3.21Å; D56-Y147 HydrophobicContact CB-CE1 4.38Å; D56-Y147 WeakPolarHBondContact CB-OH 3.27Å; V57-Y147 HydrophobicContact CG2-CD1 4.32Å; V57-Y147 HydrophobicContact CG2-CE1 3.95Å; A60-Y147 HydrophobicContact CB-CD1 4.14Å; A60-Y147 HydrophobicContact CB-CE1 4.23Å; Y147-T149 HydrophobicContact CE1-CG2 3.94Å; Y147-T149 VanDerWaalsContact OH-CB 3.25Å; Y147-T149 WeakPolarHBondContact OH-CB 3.43Å; Y147-T149 WeakPolarHBondContact OH-CG2 3.48Å; Y147-Y188 WeakPolarHBondContact CA-O 3.48Å; Y147-E190 HydrophobicContact CE2-CB 4.34Å; Y147-S239 WeakPolarHBondContact OH-CB 3.46Å; Y147-S239 PolarHBondContact OH-OG 3.04Å; Y147-W242 HydrophobicContact CD1-CH2 4.44Å; Y147-W242 AromaticContact CD1-CZ2 3.77Å; Y147-W242 HydrophobicContact CD1-CZ2 3.77Å; Y147-W242 AromaticContact CD2-CZ2 3.63Å; Y147-W242 HydrophobicContact CD2-CZ2 3.63Å; Y147-W242 AromaticContact CD2-NE1 3.88Å; Y147-W242 AromaticContact CE1-CZ2 3.96Å; Y147-W242 HydrophobicContact CE1-CZ2 3.96Å; Y147-W242 AromaticContact CE2-CZ2 3.84Å; Y147-W242 HydrophobicContact CE2-CZ2 3.84Å; Y147-W242 AromaticContact CE2-NE1 3.55Å; Y147-W242 HydrophobicContact CG-CH2 4.34Å; Y147-W242 AromaticContact CG-CZ2 3.59Å; Y147-W242 HydrophobicContact CG-CZ2 3.59Å; Y147-W242 AromaticContact CZ-CZ2 3.99Å
148	F	98.9	Very high	98.2	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.013	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136	177	177.4	-79	0	0	0	109.4	V42 D150 I157 A158 F159 Y188 I189 E190	V42-F148 HydrophobicContact CB-CD2 3.8Å; V42-F148 HydrophobicContact CB-CE2 4.41Å; V42-F148 HydrophobicContact CG1-CD2 3.72Å; V42-F148 HydrophobicContact CG1-CE2 3.83Å; F148-D150 HydrophobicContact CE1-CB 3.54Å; F148-D150 HydrophobicContact CZ-CB 3.5Å; F148-I157 HydrophobicContact CD1-CB 4.5Å; F148-I157 HydrophobicContact CD1-CD1 3.74Å; F148-I157 HydrophobicContact CD2-CD1 3.98Å; F148-I157 HydrophobicContact CE1-CB 3.81Å; F148-I157 HydrophobicContact CE1-CD1 3.75Å; F148-I157 HydrophobicContact CE1-CG1 4.14Å; F148-I157 HydrophobicContact CE1-CG2 4.29Å; F148-I157 HydrophobicContact CE2-CD1 3.98Å; F148-I157 HydrophobicContact CE2-CG1 4.49Å; F148-I157 HydrophobicContact CG-CD1 3.89Å; F148-I157 HydrophobicContact CZ-CB 4.08Å; F148-I157 HydrophobicContact CZ-CD1 3.89Å; F148-I157 HydrophobicContact CZ-CG1 4.11Å; F148-A158 WeakPolarHBondContact CZ-O 3.47Å; F148-F159 HydrophobicContact CD2-CZ 4.33Å; F148-F159 HydrophobicContact CE2-CD2 4.3Å; F148-F159 HydrophobicContact CE2-CE1 4.36Å; F148-F159 AromaticContact CE2-CE2 3.72Å; F148-F159 HydrophobicContact CE2-CE2 3.72Å; F148-F159 AromaticContact CE2-CZ 3.76Å; F148-F159 HydrophobicContact CE2-CZ 3.76Å; F148-Y188 PolarHBondContact N-O 3.21Å; F148-I189 HydrophobicContact CD1-CG2 4.1Å; F148-E190 PolarHBondContact O-N 2.91Å
149	T	98.9	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	122.1	174.1	179.8	0	0	0	0	112.1	V42 A43 G44 H53 D56 V57 Y147 E190	V42-T149 PolarHBondContact O-N 3.24Å; A43-T149 HydrophobicContact CB-CG2 4.49Å; G44-T149 PolarHBondContact N-O 3.23Å; H53-T149 HydrophobicContact CB-CG2 4.01Å; H53-T149 PolarHBondContact CD2-OG1 3.21Å; H53-T149 VanDerWaalsContact CD2-OG1 3.26Å; H53-T149 VanDerWaalsContact O-CG2 3.29Å; H53-T149 WeakPolarHBondContact O-CG2 3.36Å; D56-T149 HydrophobicContact CB-CG2 4.44Å; V57-T149 HydrophobicContact CG2-CG2 3.77Å; Y147-T149 HydrophobicContact CE1-CG2 3.94Å; Y147-T149 VanDerWaalsContact OH-CB 3.25Å; Y147-T149 WeakPolarHBondContact OH-CB 3.43Å; Y147-T149 WeakPolarHBondContact OH-CG2 3.48Å; T149-E190 WeakPolarHBondContact CA-O 3.34Å; T149-E190 WeakPolarHBondContact OG1-CG 3.39Å
150	D	98.1	Very high	98.3	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	8%	0.078	C	C	.	.	S	Bend	trans	-169.1	-165.3	172.4	-158.8	-6	0	0	0	111.4	G44 S45 H53 F148 A158 E190 A191	G44-D150 VanDerWaalsContact CA-OD2 3.26Å; G44-D150 WeakPolarHBondContact CA-OD2 3.26Å; S45-D150 VanDerWaalsContact CB-OD1 3.23Å; S45-D150 WeakPolarHBondContact CB-OD1 3.34Å; S45-D150 PolarHBondContact N-OD2 3Å; H53-D150 IonicContact CE1-OD1 2.68Å; H53-D150 PolarHBondContact CE1-OD1 3.44Å; H53-D150 IonicContact ND1-OD1 3.56Å; F148-D150 HydrophobicContact CE1-CB 3.54Å; F148-D150 HydrophobicContact CZ-CB 3.5Å; D150-A158 VanDerWaalsContact OD2-C 3.26Å; D150-A158 VanDerWaalsContact OD2-CB 3.3Å; D150-A158 WeakPolarHBondContact OD2-CB 3.45Å; D150-E190 PolarHBondContact N-O 2.59Å; D150-E190 VanDerWaalsContact N-O 3.12Å; D150-A191 VanDerWaalsContact O-CA 3.26Å; D150-A191 WeakPolarHBondContact O-CA 3.33Å; D150-A191 WeakPolarHBondContact O-CB 3.36Å
151	H	98	Very high	98.3	Very high	11 Å²	11	14.2 Å²	14.2	5%	0.051	8%	0.077	C	C	.	.			trans	-69.3	160.9	160.2	-60.5	-73.2	0	0	0	112.3	N50 H53 A158 L394	N50-H151 PolarHBondContact OD1-NE2 3.11Å; H53-H151 AromaticContact CE1-CD2 3.96Å; H53-H151 AromaticContact CE1-NE2 3.86Å; H151-A158 HydrophobicContact CB-CB 4.18Å; H151-A158 PolarHBondContact O-N 3.3Å; H151-L394 HydrophobicContact CB-CD1 4.45Å; H151-L394 HydrophobicContact CB-CD2 4.08Å; H151-L394 HydrophobicContact CB-CG 4.14Å
152	G	98.3	Very high	98.3	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.01	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	173.5	174.2	0	0	0	0	0	111.8	C192	G152-C192 CarbonylContact C-O 3.56Å; G152-C192 WeakPolarHBondContact CA-O 3.19Å
153	A	98.2	Very high	98.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	169.2	171.3	0	0	0	0	0	108	G155 L156 F404	A153-G155 PolarHBondContact O-N 3.32Å; A153-L156 HydrophobicContact CB-CD1 3.9Å; A153-L156 HydrophobicContact CB-CG 4.08Å; A153-L156 PolarHBondContact N-O 3.07Å; A153-L156 VanDerWaalsContact N-O 3.1Å; A153-L156 PolarHBondContact O-N 2.74Å; A153-F404 HydrophobicContact CB-CB 4.46Å; A153-F404 HydrophobicContact CB-CD1 4.01Å
154	P	98.2	Very high	98.3	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.013	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	118.4	176.6	-32.5	39.7	0	0	0	113.3	E193 T380 S405 Y408	P154-E193 HydrophobicContact CG-CB 4.18Å; P154-E193 HydrophobicContact CG-CG 3.91Å; P154-T380 WeakPolarHBondContact O-CG2 3.46Å; P154-S405 WeakPolarHBondContact CG-OG 3.37Å; P154-Y408 HydrophobicContact CB-CD1 4Å; P154-Y408 HydrophobicContact CB-CD2 3.41Å; P154-Y408 VanDerWaalsContact CB-CD2 3.41Å; P154-Y408 HydrophobicContact CB-CE2 4Å; P154-Y408 HydrophobicContact CB-CG 3.42Å; P154-Y408 VanDerWaalsContact CB-CG 3.42Å; P154-Y408 HydrophobicContact CG-CG 4.36Å
155	G	98.2	Very high	98.3	Very high	3 Å²	3	9 Å²	9	3%	0.031	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	4.4	177.3	0	0	0	0	0	115.7	A153 A166 S196	A153-G155 PolarHBondContact O-N 3.32Å; G155-A166 WeakPolarHBondContact O-CB 3.33Å; G155-A166 PolarHBondContact O-N 3.06Å; G155-S196 PolarHBondContact N-OG 2.89Å
156	L	98.5	Very high	98.3	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.5	178.6	65.2	87.6	0	0	0	113.8	A153 E163 L164 Y165 Y384 L394 F404	A153-L156 HydrophobicContact CB-CD1 3.9Å; A153-L156 HydrophobicContact CB-CG 4.08Å; A153-L156 PolarHBondContact N-O 3.07Å; A153-L156 VanDerWaalsContact N-O 3.1Å; A153-L156 PolarHBondContact O-N 2.74Å; L156-E163 HydrophobicContact CD1-CB 4.49Å; L156-E163 HydrophobicContact CD1-CG 4.13Å; L156-L164 WeakPolarHBondContact CA-O 3.47Å; L156-Y165 HydrophobicContact CB-CD1 3.9Å; L156-Y165 HydrophobicContact CB-CE1 4.29Å; L156-Y165 HydrophobicContact CD2-CD1 4.22Å; L156-Y165 HydrophobicContact CD2-CE1 3.84Å; L156-Y384 HydrophobicContact CD2-CD1 3.72Å; L156-Y384 HydrophobicContact CD2-CD2 3.66Å; L156-Y384 HydrophobicContact CD2-CE1 3.94Å; L156-Y384 HydrophobicContact CD2-CE2 3.89Å; L156-Y384 HydrophobicContact CD2-CG 3.57Å; L156-L394 HydrophobicContact CD1-CD2 3.92Å; L156-F404 HydrophobicContact CD2-CE1 4.46Å
157	I	98.6	Very high	98.2	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.8	165.2	56	-176.8	0	0	0	109.5	F148 E163 L164 I189 A191 M197	F148-I157 HydrophobicContact CD1-CB 4.5Å; F148-I157 HydrophobicContact CD1-CD1 3.74Å; F148-I157 HydrophobicContact CD2-CD1 3.98Å; F148-I157 HydrophobicContact CE1-CB 3.81Å; F148-I157 HydrophobicContact CE1-CD1 3.75Å; F148-I157 HydrophobicContact CE1-CG1 4.14Å; F148-I157 HydrophobicContact CE1-CG2 4.29Å; F148-I157 HydrophobicContact CE2-CD1 3.98Å; F148-I157 HydrophobicContact CE2-CG1 4.49Å; F148-I157 HydrophobicContact CG-CD1 3.89Å; F148-I157 HydrophobicContact CZ-CB 4.08Å; F148-I157 HydrophobicContact CZ-CD1 3.89Å; F148-I157 HydrophobicContact CZ-CG1 4.11Å; I157-E163 WeakPolarHBondContact O-CA 3.3Å; I157-L164 HydrophobicContact CD1-CD2 4.21Å; I157-L164 HydrophobicContact CG1-CB 3.95Å; I157-L164 HydrophobicContact CG1-CD2 4.48Å; I157-L164 HydrophobicContact CG1-CG 4.42Å; I157-L164 PolarHBondContact N-O 2.96Å; I157-L164 PolarHBondContact O-N 3.38Å; I157-I189 HydrophobicContact CD1-CD1 4.49Å; I157-I189 HydrophobicContact CG2-CG2 4.18Å; I157-A191 HydrophobicContact CG2-CB 3.97Å; I157-M197 HydrophobicContact CD1-CE 4.11Å; I157-M197 HydrophobicContact CG1-CE 3.98Å; I157-M197 HydrophobicContact CG2-CE 4.46Å; I157-M197 HydrophobicContact CG2-CG 3.89Å; I157-M197 HydrophobicContact CG2-SD 4.07Å
158	A	98.3	Very high	98.2	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.017	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	160.3	-175.7	0	0	0	0	0	112.8	F148 D150 H151 L394	F148-A158 WeakPolarHBondContact CZ-O 3.47Å; D150-A158 VanDerWaalsContact OD2-C 3.26Å; D150-A158 VanDerWaalsContact OD2-CB 3.3Å; D150-A158 WeakPolarHBondContact OD2-CB 3.45Å; H151-A158 HydrophobicContact CB-CB 4.18Å; H151-A158 PolarHBondContact O-N 3.3Å; A158-L394 HydrophobicContact CB-CD2 3.94Å
159	F	98.6	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.			trans	-132.1	173.6	157.5	-90.1	-91.5	0	0	0	106.3	V42 G44 V116 N117 F121 F148 D161 D162 L164 Q395	V42-F159 HydrophobicContact CG1-CE1 3.69Å; V42-F159 HydrophobicContact CG1-CZ 3.92Å; G44-F159 CarbonylContact O-C 3.3Å; G44-F159 VanDerWaalsContact O-CA 3.24Å; G44-F159 WeakPolarHBondContact O-CA 3.37Å; V116-F159 HydrophobicContact CG1-CD1 4.08Å; V116-F159 HydrophobicContact CG1-CE1 4.3Å; N117-F159 VanDerWaalsContact CA-CD1 3.41Å; F121-F159 HydrophobicContact CB-CE1 4.08Å; F121-F159 HydrophobicContact CB-CE2 4.5Å; F121-F159 HydrophobicContact CB-CZ 3.6Å; F121-F159 HydrophobicContact CD1-CE2 4.3Å; F121-F159 AromaticContact CD1-CZ 3.9Å; F121-F159 HydrophobicContact CD1-CZ 3.9Å; F121-F159 AromaticContact CG-CZ 3.83Å; F121-F159 HydrophobicContact CG-CZ 3.83Å; F148-F159 HydrophobicContact CD2-CZ 4.33Å; F148-F159 HydrophobicContact CE2-CD2 4.3Å; F148-F159 HydrophobicContact CE2-CE1 4.36Å; F148-F159 AromaticContact CE2-CE2 3.72Å; F148-F159 HydrophobicContact CE2-CE2 3.72Å; F148-F159 AromaticContact CE2-CZ 3.76Å; F148-F159 HydrophobicContact CE2-CZ 3.76Å; F159-D161 PolarHBondContact O-N 2.9Å; F159-D161 VanDerWaalsContact O-N 3.12Å; F159-D162 CarbonylContact C-O 3.48Å; F159-D162 WeakPolarHBondContact CA-O 3.3Å; F159-D162 WeakPolarHBondContact CB-O 3.46Å; F159-D162 WeakPolarHBondContact CB-OD1 3.37Å; F159-D162 PolarHBondContact N-O 3.21Å; F159-L164 HydrophobicContact CD2-CB 4.22Å; F159-L164 HydrophobicContact CE2-CB 4.01Å; F159-L164 HydrophobicContact CE2-CD2 4.38Å; F159-Q395 PolarHBondContact O-NE2 3.08Å
160	P	98	Very high	98.2	Very high	6 Å²	6	16.6 Å²	16.6	4%	0.039	8%	0.083	C	C	.	.	S	Bend	trans	-62.5	-31.2	-168.6	-21.5	33.1	0	0	0	113.4	G44 N46 Y79 V116 Q395	G44-P160 WeakPolarHBondContact O-CD 3.31Å; G44-P160 WeakPolarHBondContact O-CG 3.45Å; N46-P160 HydrophobicContact CB-CB 4.37Å; Y79-P160 HydrophobicContact CD2-CB 3.93Å; Y79-P160 HydrophobicContact CD2-CG 3.79Å; Y79-P160 HydrophobicContact CE2-CB 4.02Å; Y79-P160 HydrophobicContact CE2-CG 4.32Å; V116-P160 HydrophobicContact CB-CG 4.23Å; V116-P160 HydrophobicContact CG1-CG 4.07Å; V116-P160 WeakPolarHBondContact O-CD 3.47Å; V116-P160 WeakPolarHBondContact O-CG 3.45Å; P160-Q395 WeakPolarHBondContact O-CG 3.25Å
161	D	96.3	Very high	98.2	Very high	104 Å²	104	20 Å²	20	56%	0.556	11%	0.107	S	C	*	.	S	Bend	trans	-132.2	1.7	-174.6	-60.5	-56	0	0	0	112.8	F159	F159-D161 PolarHBondContact O-N 2.9Å; F159-D161 VanDerWaalsContact O-N 3.12Å
162	D	97.6	Very high	98.2	Very high	29 Å²	29	19.7 Å²	19.7	16%	0.155	11%	0.106	C	C	.	.	S	Bend	trans	-154.5	-173.8	-179.9	70.1	-19.5	0	0	0	112.2	N117 S118 F159 Q395	N117-D162 WeakPolarHBondContact CA-OD1 3.12Å; N117-D162 WeakPolarHBondContact CB-OD1 3.35Å; S118-D162 WeakPolarHBondContact CB-OD2 3.48Å; S118-D162 PolarHBondContact N-OD1 2.95Å; S118-D162 PolarHBondContact N-OD2 2.84Å; S118-D162 PolarHBondContact OG-OD2 2.99Å; F159-D162 CarbonylContact C-O 3.48Å; F159-D162 WeakPolarHBondContact CA-O 3.3Å; F159-D162 WeakPolarHBondContact CB-O 3.46Å; F159-D162 WeakPolarHBondContact CB-OD1 3.37Å; F159-D162 PolarHBondContact N-O 3.21Å; D162-Q395 PolarHBondContact O-NE2 3.21Å; D162-Q395 VanDerWaalsContact O-NE2 3.12Å
163	E	98.1	Very high	98.3	Very high	9 Å²	9	19.6 Å²	19.6	4%	0.042	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.5	179	-62	78.4	-165.5	0	0	110.8	S118 L156 I157 Y384 K388 Q395	S118-E163 WeakPolarHBondContact CB-O 3.37Å; S118-E163 PolarHBondContact OG-O 3.41Å; L156-E163 HydrophobicContact CD1-CB 4.49Å; L156-E163 HydrophobicContact CD1-CG 4.13Å; I157-E163 WeakPolarHBondContact O-CA 3.3Å; E163-Y384 HydrophobicContact CG-CD1 4.49Å; E163-Y384 HydrophobicContact CG-CE1 3.58Å; E163-Y384 WeakPolarHBondContact OE1-CE1 3.26Å; E163-Y384 PolarHBondContact OE1-OH 3.45Å; E163-Y384 VanDerWaalsContact OE1-OH 3.05Å; E163-K388 IonicContact OE2-NZ 3.37Å; E163-K388 PolarHBondContact OE2-NZ 2.97Å; E163-Q395 PolarHBondContact OE1-NE2 2.99Å; E163-Q395 PolarHBondContact OE1-OE1 3.22Å
164	L	98.7	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.7	165.9	175.1	58.1	0	0	0	109.7	F121 L122 L156 I157 F159 Q168 F169	F121-L164 HydrophobicContact CD1-CD2 3.77Å; F121-L164 HydrophobicContact CE1-CD2 3.68Å; L122-L164 HydrophobicContact CD1-CD1 3.96Å; L122-L164 HydrophobicContact CD2-CD1 3.95Å; L122-L164 HydrophobicContact CD2-CD2 4.26Å; L122-L164 HydrophobicContact CG-CD1 4.21Å; L156-L164 WeakPolarHBondContact CA-O 3.47Å; I157-L164 HydrophobicContact CD1-CD2 4.21Å; I157-L164 HydrophobicContact CG1-CB 3.95Å; I157-L164 HydrophobicContact CG1-CD2 4.48Å; I157-L164 HydrophobicContact CG1-CG 4.42Å; I157-L164 PolarHBondContact N-O 2.96Å; I157-L164 PolarHBondContact O-N 3.38Å; F159-L164 HydrophobicContact CD2-CB 4.22Å; F159-L164 HydrophobicContact CE2-CB 4.01Å; F159-L164 HydrophobicContact CE2-CD2 4.38Å; L164-Q168 HydrophobicContact CD1-CB 4.15Å; L164-Q168 HydrophobicContact CD1-CG 4.31Å; L164-Q168 VanDerWaalsContact CD1-OE1 3.31Å; L164-F169 HydrophobicContact CD1-CB 4.06Å; L164-F169 HydrophobicContact CD2-CB 4.05Å; L164-F169 HydrophobicContact CD2-CD2 3.95Å; L164-F169 HydrophobicContact CD2-CG 4.08Å; L164-F169 HydrophobicContact CG-CB 4.04Å
165	Y	98.6	Very high	98.3	Very high	12 Å²	12	28.9 Å²	28.9	5%	0.047	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145.3	176.3	-59.8	-74	0	0	0	112.2	L156 K167 Q168 F169 E381 Y384 E385	L156-Y165 HydrophobicContact CB-CD1 3.9Å; L156-Y165 HydrophobicContact CB-CE1 4.29Å; L156-Y165 HydrophobicContact CD2-CD1 4.22Å; L156-Y165 HydrophobicContact CD2-CE1 3.84Å; Y165-K167 VanDerWaalsContact C-N 3.27Å; Y165-K167 PolarHBondContact O-N 3.48Å; Y165-Q168 PolarHBondContact O-N 3.49Å; Y165-Q168 VanDerWaalsContact O-N 3.11Å; Y165-F169 PolarHBondContact O-N 3.39Å; Y165-E381 HydrophobicContact CD1-CB 4.15Å; Y165-E381 HydrophobicContact CD1-CG 3.98Å; Y165-E381 HydrophobicContact CD2-CG 3.78Å; Y165-E381 HydrophobicContact CE1-CB 4.31Å; Y165-E381 HydrophobicContact CE1-CG 4.01Å; Y165-E381 HydrophobicContact CE2-CG 3.8Å; Y165-E381 HydrophobicContact CG-CB 4.38Å; Y165-E381 HydrophobicContact CG-CG 3.87Å; Y165-Y384 HydrophobicContact CE1-CD1 4.04Å; Y165-Y384 HydrophobicContact CE1-CG 4.49Å; Y165-Y384 WeakPolarHBondContact OH-CD1 3.41Å; Y165-E385 VanDerWaalsContact OH-CD 3.32Å; Y165-E385 PolarHBondContact OH-OE1 2.92Å
166	A	98.6	Very high	98.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-54.5	-41.2	-179.8	0	0	0	0	0	112.5	G155 F169 M170 M197 I201 L377	G155-A166 WeakPolarHBondContact O-CB 3.33Å; G155-A166 PolarHBondContact O-N 3.06Å; A166-F169 PolarHBondContact O-N 3.39Å; A166-M170 VanDerWaalsContact O-CB 3.29Å; A166-M170 WeakPolarHBondContact O-CB 3.45Å; A166-M170 PolarHBondContact O-N 3.47Å; A166-M197 HydrophobicContact CB-CE 4.15Å; A166-M197 HydrophobicContact CB-SD 3.83Å; A166-I201 HydrophobicContact CB-CD1 3.86Å; A166-L377 HydrophobicContact CB-CD1 4.48Å; A166-L377 HydrophobicContact CB-CD2 4.25Å
167	K	97.5	Very high	98.3	Very high	80 Å²	80	32 Å²	32	35%	0.348	16%	0.157	S	C	.	.	H	α-helix	trans	-66.1	-42.7	178.9	-168.7	173.2	178.2	177	0	112.1	Y165 M170 S171 D378	Y165-K167 VanDerWaalsContact C-N 3.27Å; Y165-K167 PolarHBondContact O-N 3.48Å; K167-M170 PolarHBondContact O-N 2.9Å; K167-S171 WeakPolarHBondContact O-CB 3.38Å; K167-S171 PolarHBondContact O-N 3.35Å; K167-D378 VanDerWaalsContact CD-OD1 3.31Å; K167-D378 WeakPolarHBondContact CD-OD1 3.38Å; K167-D378 WeakPolarHBondContact CE-OD1 3.24Å; K167-D378 IonicContact NZ-OD1 2.7Å; K167-D378 PolarHBondContact NZ-OD1 3.48Å; K167-D378 IonicContact NZ-OD2 3.86Å; K167-D378 PolarHBondContact NZ-OD2 3.46Å
168	Q	97.9	Very high	98.3	Very high	72 Å²	72	35.8 Å²	35.8	34%	0.336	18%	0.184	S	C	.	.	H	α-helix	trans	-65.4	-41.2	176.8	-166.5	-171.7	35.8	0	0	111.6	L122 L164 Y165 S171 T172	L122-Q168 VanDerWaalsContact CD1-CD 3.43Å; L122-Q168 HydrophobicContact CD1-CG 3.66Å; L164-Q168 HydrophobicContact CD1-CB 4.15Å; L164-Q168 HydrophobicContact CD1-CG 4.31Å; L164-Q168 VanDerWaalsContact CD1-OE1 3.31Å; Y165-Q168 PolarHBondContact O-N 3.49Å; Y165-Q168 VanDerWaalsContact O-N 3.11Å; Q168-S171 PolarHBondContact O-N 3.36Å; Q168-T172 PolarHBondContact O-N 3.04Å; Q168-T172 VanDerWaalsContact O-N 3.1Å; Q168-T172 PolarHBondContact O-OG1 3.1Å
169	F	98.7	Very high	98.3	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-48.7	175.4	-172.9	-140.3	0	0	0	111.2	F121 L122 L125 L164 Y165 A166 S171 T172 L173 I187 I189 M197 F198	F121-F169 HydrophobicContact CE1-CD2 4.34Å; F121-F169 AromaticContact CE1-CE2 3.99Å; F121-F169 HydrophobicContact CE1-CE2 3.99Å; F121-F169 HydrophobicContact CZ-CE2 4.26Å; L122-F169 HydrophobicContact CD2-CD2 4.42Å; L125-F169 HydrophobicContact CD1-CE2 4Å; L164-F169 HydrophobicContact CD1-CB 4.06Å; L164-F169 HydrophobicContact CD2-CB 4.05Å; L164-F169 HydrophobicContact CD2-CD2 3.95Å; L164-F169 HydrophobicContact CD2-CG 4.08Å; L164-F169 HydrophobicContact CG-CB 4.04Å; Y165-F169 PolarHBondContact O-N 3.39Å; A166-F169 PolarHBondContact O-N 3.39Å; F169-S171 VanDerWaalsContact C-N 3.32Å; F169-S171 PolarHBondContact O-N 3.13Å; F169-T172 CarbonylContact O-C 3.55Å; F169-T172 WeakPolarHBondContact O-CA 3.24Å; F169-T172 WeakPolarHBondContact O-CB 3.45Å; F169-T172 PolarHBondContact O-N 3.48Å; F169-L173 HydrophobicContact CD1-CD1 4.23Å; F169-L173 HydrophobicContact CD2-CG 4.32Å; F169-L173 HydrophobicContact CE1-CD1 4Å; F169-L173 HydrophobicContact CE2-CD1 4.42Å; F169-L173 HydrophobicContact CE2-CD2 3.94Å; F169-L173 HydrophobicContact CE2-CG 4.13Å; F169-L173 HydrophobicContact CZ-CD1 4.1Å; F169-L173 HydrophobicContact CZ-CD2 4.06Å; F169-L173 HydrophobicContact CZ-CG 4.27Å; F169-L173 WeakPolarHBondContact O-CG 3.3Å; F169-L173 PolarHBondContact O-N 3.17Å; F169-I187 HydrophobicContact CE1-CD1 4.46Å; F169-I187 HydrophobicContact CZ-CD1 4.08Å; F169-I187 HydrophobicContact CZ-CG2 4.32Å; F169-I189 HydrophobicContact CE1-CD1 4.14Å; F169-M197 HydrophobicContact CB-CE 4.14Å; F169-M197 HydrophobicContact CD1-CE 4.04Å; F169-M197 HydrophobicContact CG-CE 4.46Å; F169-F198 HydrophobicContact CD1-CE1 4.26Å; F169-F198 AromaticContact CE1-CE1 3.75Å; F169-F198 HydrophobicContact CE1-CE1 3.75Å; F169-F198 AromaticContact CE1-CZ 3.84Å; F169-F198 HydrophobicContact CE1-CZ 3.84Å
170	M	98.6	Very high	98.3	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-38.9	178.2	-165.2	64.8	-105.4	0	0	112.4	A166 K167 T172 L173 K174 I201 L202 L206	A166-M170 VanDerWaalsContact O-CB 3.29Å; A166-M170 WeakPolarHBondContact O-CB 3.45Å; A166-M170 PolarHBondContact O-N 3.47Å; K167-M170 PolarHBondContact O-N 2.9Å; M170-T172 VanDerWaalsContact C-N 3.3Å; M170-T172 PolarHBondContact O-N 3.43Å; M170-L173 HydrophobicContact CE-CB 3.63Å; M170-L173 HydrophobicContact CE-CD1 4.02Å; M170-L173 HydrophobicContact CE-CG 4.45Å; M170-L173 PolarHBondContact O-N 3.01Å; M170-L173 HydrophobicContact SD-CD1 4.36Å; M170-K174 HydrophobicContact CE-CG 4Å; M170-K174 WeakPolarHBondContact O-CG 3.09Å; M170-K174 PolarHBondContact O-N 2.88Å; M170-I201 VanDerWaalsContact SD-O 3.33Å; M170-L202 HydrophobicContact CE-CD1 3.77Å; M170-L202 HydrophobicContact SD-CB 4.3Å; M170-L202 HydrophobicContact SD-CD1 3.88Å; M170-L206 HydrophobicContact CE-CD1 3.38Å
171	S	98.4	Very high	98.3	Very high	76 Å²	76	49.6 Å²	49.6	53%	0.531	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-42.1	172.4	-177.9	0	0	0	0	111.6	K167 Q168 F169 K174 Y175	K167-S171 WeakPolarHBondContact O-CB 3.38Å; K167-S171 PolarHBondContact O-N 3.35Å; Q168-S171 PolarHBondContact O-N 3.36Å; F169-S171 VanDerWaalsContact C-N 3.32Å; F169-S171 PolarHBondContact O-N 3.13Å; S171-K174 PolarHBondContact O-N 2.85Å; S171-Y175 PolarHBondContact O-N 3.26Å
172	T	98.8	Very high	98.4	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-43.9	175.8	-62.4	0	0	0	0	111.9	L122 L125 K126 Q168 F169 M170 K174 Y175 L176	L122-T172 HydrophobicContact CD2-CG2 3.97Å; L125-T172 HydrophobicContact CB-CG2 4.26Å; L125-T172 HydrophobicContact CD1-CG2 4.21Å; K126-T172 HydrophobicContact CG-CG2 4.12Å; Q168-T172 PolarHBondContact O-N 3.04Å; Q168-T172 VanDerWaalsContact O-N 3.1Å; Q168-T172 PolarHBondContact O-OG1 3.1Å; F169-T172 CarbonylContact O-C 3.55Å; F169-T172 WeakPolarHBondContact O-CA 3.24Å; F169-T172 WeakPolarHBondContact O-CB 3.45Å; F169-T172 PolarHBondContact O-N 3.48Å; M170-T172 VanDerWaalsContact C-N 3.3Å; M170-T172 PolarHBondContact O-N 3.43Å; T172-K174 VanDerWaalsContact C-N 3.34Å; T172-K174 PolarHBondContact O-N 3.28Å; T172-Y175 WeakPolarHBondContact O-CA 3.47Å; T172-Y175 VanDerWaalsContact O-CB 3.3Å; T172-Y175 WeakPolarHBondContact O-CB 3.27Å; T172-Y175 PolarHBondContact O-N 2.96Å; T172-Y175 VanDerWaalsContact O-N 3.08Å; T172-L176 HydrophobicContact CG2-CG 4.47Å; T172-L176 WeakPolarHBondContact O-CG 3.49Å; T172-L176 PolarHBondContact O-N 2.83Å
173	L	98.8	Very high	98.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-42.3	176	-65.6	179	0	0	0	112.2	F169 M170 Y175 L176 H177 L185 I187 F198 L202 I208	F169-L173 HydrophobicContact CD1-CD1 4.23Å; F169-L173 HydrophobicContact CD2-CG 4.32Å; F169-L173 HydrophobicContact CE1-CD1 4Å; F169-L173 HydrophobicContact CE2-CD1 4.42Å; F169-L173 HydrophobicContact CE2-CD2 3.94Å; F169-L173 HydrophobicContact CE2-CG 4.13Å; F169-L173 HydrophobicContact CZ-CD1 4.1Å; F169-L173 HydrophobicContact CZ-CD2 4.06Å; F169-L173 HydrophobicContact CZ-CG 4.27Å; F169-L173 WeakPolarHBondContact O-CG 3.3Å; F169-L173 PolarHBondContact O-N 3.17Å; M170-L173 HydrophobicContact CE-CB 3.63Å; M170-L173 HydrophobicContact CE-CD1 4.02Å; M170-L173 HydrophobicContact CE-CG 4.45Å; M170-L173 PolarHBondContact O-N 3.01Å; M170-L173 HydrophobicContact SD-CD1 4.36Å; L173-Y175 VanDerWaalsContact C-N 3.31Å; L173-Y175 PolarHBondContact O-N 2.87Å; L173-L176 HydrophobicContact CD2-CD1 4.33Å; L173-L176 PolarHBondContact O-N 3.11Å; L173-H177 PolarHBondContact O-N 2.75Å; L173-H177 VanDerWaalsContact O-N 3.07Å; L173-L185 HydrophobicContact CD2-CD2 3.74Å; L173-I187 HydrophobicContact CD1-CD1 3.9Å; L173-I187 HydrophobicContact CD2-CD1 3.77Å; L173-F198 HydrophobicContact CD1-CE1 4.28Å; L173-L202 HydrophobicContact CD1-CD1 4.44Å; L173-I208 HydrophobicContact CB-CD1 3.89Å; L173-I208 HydrophobicContact CD1-CD1 4.13Å; L173-I208 HydrophobicContact CD2-CD1 4.27Å; L173-I208 HydrophobicContact CG-CD1 4.32Å
174	K	98.7	Very high	98.4	Very high	112 Å²	112	47.9 Å²	47.9	49%	0.487	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-36.9	173.2	-72.2	173.6	179.7	175	0	112.4	M170 S171 T172 S178 L206	M170-K174 HydrophobicContact CE-CG 4Å; M170-K174 WeakPolarHBondContact O-CG 3.09Å; M170-K174 PolarHBondContact O-N 2.88Å; S171-K174 PolarHBondContact O-N 2.85Å; T172-K174 VanDerWaalsContact C-N 3.34Å; T172-K174 PolarHBondContact O-N 3.28Å; K174-S178 WeakPolarHBondContact O-CB 3.48Å; K174-S178 PolarHBondContact O-N 3.29Å; K174-S178 PolarHBondContact O-OG 3.38Å; K174-L206 HydrophobicContact CG-CD1 4.31Å
175	Y	98.7	Very high	98.5	Very high	84 Å²	84	47.9 Å²	47.9	33%	0.329	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-47.5	172.8	172	-83.8	0	0	0	111.3	K126 S171 T172 L173 H177 S178 H179	K126-Y175 HydrophobicContact CB-CD1 4.43Å; K126-Y175 HydrophobicContact CB-CE1 3.93Å; K126-Y175 HydrophobicContact CD-CD1 4.2Å; K126-Y175 HydrophobicContact CD-CE1 4.2Å; K126-Y175 HydrophobicContact CG-CD1 3.69Å; K126-Y175 HydrophobicContact CG-CE1 3.67Å; S171-Y175 PolarHBondContact O-N 3.26Å; T172-Y175 WeakPolarHBondContact O-CA 3.47Å; T172-Y175 VanDerWaalsContact O-CB 3.3Å; T172-Y175 WeakPolarHBondContact O-CB 3.27Å; T172-Y175 PolarHBondContact O-N 2.96Å; T172-Y175 VanDerWaalsContact O-N 3.08Å; L173-Y175 VanDerWaalsContact C-N 3.31Å; L173-Y175 PolarHBondContact O-N 2.87Å; Y175-H177 VanDerWaalsContact C-N 3.32Å; Y175-H177 PolarHBondContact O-N 3.46Å; Y175-S178 PolarHBondContact O-N 3.49Å; Y175-S178 PolarHBondContact O-OG 3.1Å; Y175-S178 VanDerWaalsContact O-OG 3.04Å; Y175-H179 AromaticContact CD2-CE1 3.34Å; Y175-H179 WeakPolarHBondContact CD2-CE1 3.4Å; Y175-H179 AromaticContact CD2-ND1 3.51Å; Y175-H179 AromaticContact CD2-NE2 3.99Å; Y175-H179 HydrophobicContact CE1-CB 4.44Å; Y175-H179 AromaticContact CE2-CD2 3.78Å; Y175-H179 AromaticContact CE2-CE1 3.2Å; Y175-H179 WeakPolarHBondContact CE2-CE1 3.35Å; Y175-H179 AromaticContact CE2-CG 3.88Å; Y175-H179 AromaticContact CE2-ND1 3.52Å; Y175-H179 AromaticContact CE2-NE2 3.35Å; Y175-H179 VanDerWaalsContact CE2-NE2 3.35Å; Y175-H179 WeakPolarHBondContact CE2-NE2 3.49Å; Y175-H179 AromaticContact CG-ND1 3.87Å; Y175-H179 AromaticContact CZ-CD2 3.76Å; Y175-H179 AromaticContact CZ-CE1 3.91Å; Y175-H179 AromaticContact CZ-CG 3.8Å; Y175-H179 AromaticContact CZ-ND1 3.88Å; Y175-H179 AromaticContact CZ-NE2 3.83Å; Y175-H179 WeakPolarHBondContact O-CB 3.46Å; Y175-H179 PolarHBondContact O-N 3.34Å; Y175-H179 PolarHBondContact O-ND1 2.98Å
176	L	98.7	Very high	98.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-44.2	179.4	-63.5	-177.3	0	0	0	111.8	L125 K126 T172 L173 K180 R181 Y182	L125-L176 HydrophobicContact CB-CD1 4.2Å; L125-L176 HydrophobicContact CB-CD2 4.38Å; L125-L176 WeakPolarHBondContact O-CD2 3.32Å; K126-L176 HydrophobicContact CG-CD2 4.48Å; T172-L176 HydrophobicContact CG2-CG 4.47Å; T172-L176 WeakPolarHBondContact O-CG 3.49Å; T172-L176 PolarHBondContact O-N 2.83Å; L173-L176 HydrophobicContact CD2-CD1 4.33Å; L173-L176 PolarHBondContact O-N 3.11Å; L176-K180 PolarHBondContact O-N 3.42Å; L176-R181 HydrophobicContact CB-CB 4.09Å; L176-R181 HydrophobicContact CB-CG 4.41Å; L176-R181 HydrophobicContact CD2-CB 4.04Å; L176-R181 HydrophobicContact CD2-CG 3.99Å; L176-R181 WeakPolarHBondContact O-CB 3.29Å; L176-R181 WeakPolarHBondContact O-CG 3.42Å; L176-R181 PolarHBondContact O-N 2.91Å; L176-Y182 HydrophobicContact CB-CD1 3.95Å; L176-Y182 HydrophobicContact CB-CE1 3.56Å
177	H	98.6	Very high	98.5	Very high	69 Å²	69	47.3 Å²	47.3	32%	0.319	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-54.2	175.9	-174.3	21.9	0	0	0	112.1	L173 Y175 H179 K180 Y182 N205 L206	L173-H177 PolarHBondContact O-N 2.75Å; L173-H177 VanDerWaalsContact O-N 3.07Å; Y175-H177 VanDerWaalsContact C-N 3.32Å; Y175-H177 PolarHBondContact O-N 3.46Å; H177-H179 PolarHBondContact O-N 3.45Å; H177-H179 VanDerWaalsContact O-N 3.17Å; H177-K180 PolarHBondContact O-N 3.47Å; H177-Y182 WeakPolarHBondContact CB-OH 3.2Å; H177-N205 PolarHBondContact NE2-O 3.01Å; H177-L206 HydrophobicContact CB-CD2 4.49Å; H177-L206 WeakPolarHBondContact CD2-CD2 3.24Å
178	S	98.3	Very high	98.6	Very high	82 Å²	82	43.7 Å²	43.7	57%	0.573	22%	0.216	S	C	*	.	H	α-helix	trans	-62.4	-28.5	-176.3	58.2	0	0	0	0	112.9	K174 Y175 K180	K174-S178 WeakPolarHBondContact O-CB 3.48Å; K174-S178 PolarHBondContact O-N 3.29Å; K174-S178 PolarHBondContact O-OG 3.38Å; Y175-S178 PolarHBondContact O-N 3.49Å; Y175-S178 PolarHBondContact O-OG 3.1Å; Y175-S178 VanDerWaalsContact O-OG 3.04Å; S178-K180 VanDerWaalsContact C-N 3.34Å
179	H	98.4	Very high	98.6	Very high	101 Å²	101	40.3 Å²	40.3	47%	0.468	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.1	176.6	-65.1	68.5	0	0	0	113.2	Y175 H177 R181	Y175-H179 AromaticContact CD2-CE1 3.34Å; Y175-H179 WeakPolarHBondContact CD2-CE1 3.4Å; Y175-H179 AromaticContact CD2-ND1 3.51Å; Y175-H179 AromaticContact CD2-NE2 3.99Å; Y175-H179 HydrophobicContact CE1-CB 4.44Å; Y175-H179 AromaticContact CE2-CD2 3.78Å; Y175-H179 AromaticContact CE2-CE1 3.2Å; Y175-H179 WeakPolarHBondContact CE2-CE1 3.35Å; Y175-H179 AromaticContact CE2-CG 3.88Å; Y175-H179 AromaticContact CE2-ND1 3.52Å; Y175-H179 AromaticContact CE2-NE2 3.35Å; Y175-H179 VanDerWaalsContact CE2-NE2 3.35Å; Y175-H179 WeakPolarHBondContact CE2-NE2 3.49Å; Y175-H179 AromaticContact CG-ND1 3.87Å; Y175-H179 AromaticContact CZ-CD2 3.76Å; Y175-H179 AromaticContact CZ-CE1 3.91Å; Y175-H179 AromaticContact CZ-CG 3.8Å; Y175-H179 AromaticContact CZ-ND1 3.88Å; Y175-H179 AromaticContact CZ-NE2 3.83Å; Y175-H179 WeakPolarHBondContact O-CB 3.46Å; Y175-H179 PolarHBondContact O-N 3.34Å; Y175-H179 PolarHBondContact O-ND1 2.98Å; H177-H179 PolarHBondContact O-N 3.45Å; H177-H179 VanDerWaalsContact O-N 3.17Å; H179-R181 VanDerWaalsContact C-N 3.29Å; H179-R181 HydrophobicContact CB-CG 3.95Å; H179-R181 PolarHBondContact O-N 3.17Å
180	K	98	Very high	98.6	Very high	140 Å²	140	40.2 Å²	40.2	61%	0.609	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	47.3	177	-52	-178.8	179.4	177.8	0	112.5	G139 K140 L176 H177 S178 Y182	G139-K180 CarbonylContact C-O 3.56Å; G139-K180 WeakPolarHBondContact CA-O 3.39Å; K140-K180 WeakPolarHBondContact CA-O 3.48Å; K140-K180 HydrophobicContact CB-CB 3.9Å; K140-K180 PolarHBondContact N-O 2.85Å; L176-K180 PolarHBondContact O-N 3.42Å; H177-K180 PolarHBondContact O-N 3.47Å; S178-K180 VanDerWaalsContact C-N 3.34Å; K180-Y182 VanDerWaalsContact C-N 3.29Å
181	R	97.9	Very high	98.6	Very high	57 Å²	57	39.9 Å²	39.9	22%	0.215	20%	0.199	C	C	.	.			trans	-82.8	-5.1	-177.7	-60.2	-60.5	-60.3	-158.4	-2.4	113.5	L136 S138 L176 H179	L136-R181 PolarHBondContact O-NH2 2.87Å; S138-R181 CarbonylContact C-O 3.53Å; S138-R181 VanDerWaalsContact CB-O 3.29Å; S138-R181 WeakPolarHBondContact CB-O 3.23Å; S138-R181 PolarHBondContact OG-O 2.87Å; L176-R181 HydrophobicContact CB-CB 4.09Å; L176-R181 HydrophobicContact CB-CG 4.41Å; L176-R181 HydrophobicContact CD2-CB 4.04Å; L176-R181 HydrophobicContact CD2-CG 3.99Å; L176-R181 WeakPolarHBondContact O-CB 3.29Å; L176-R181 WeakPolarHBondContact O-CG 3.42Å; L176-R181 PolarHBondContact O-N 2.91Å; H179-R181 VanDerWaalsContact C-N 3.29Å; H179-R181 HydrophobicContact CB-CG 3.95Å; H179-R181 PolarHBondContact O-N 3.17Å
182	Y	98.5	Very high	98.6	Very high	10 Å²	10	36.3 Å²	36.3	4%	0.039	17%	0.174	C	C	.	.			trans	-155.3	162	174.8	58	-99.5	0	0	0	109.1	G139 D142 L176 H177 K180 L185 L206 I208	G139-Y182 CarbonylContact O-C 3.32Å; G139-Y182 VanDerWaalsContact O-CA 3.23Å; G139-Y182 WeakPolarHBondContact O-CA 3.29Å; G139-Y182 PolarHBondContact O-N 2.93Å; D142-Y182 CarbonylContact O-C 3.53Å; D142-Y182 VanDerWaalsContact O-CA 3.29Å; D142-Y182 WeakPolarHBondContact O-CA 3.37Å; L176-Y182 HydrophobicContact CB-CD1 3.95Å; L176-Y182 HydrophobicContact CB-CE1 3.56Å; H177-Y182 WeakPolarHBondContact CB-OH 3.2Å; K180-Y182 VanDerWaalsContact C-N 3.29Å; Y182-L185 HydrophobicContact CD1-CB 4.2Å; Y182-L185 HydrophobicContact CD1-CD2 4.22Å; Y182-L185 HydrophobicContact CD2-CB 3.86Å; Y182-L185 HydrophobicContact CE1-CB 4.22Å; Y182-L185 HydrophobicContact CE1-CD2 3.86Å; Y182-L185 HydrophobicContact CE2-CB 3.89Å; Y182-L185 HydrophobicContact CG-CB 4.02Å; Y182-L206 VanDerWaalsContact CE2-O 3.27Å; Y182-L206 WeakPolarHBondContact CE2-O 3.25Å; Y182-L206 PolarHBondContact OH-O 2.87Å; Y182-I208 HydrophobicContact CE2-CG1 4.46Å; Y182-I208 WeakPolarHBondContact OH-CD1 3.13Å; Y182-I208 WeakPolarHBondContact OH-CG1 3.47Å
183	S	98.3	Very high	98.6	Very high	50 Å²	50	36.3 Å²	36.3	35%	0.35	17%	0.174	S	C	.	.	S	Bend	trans	-84.4	-54.3	163.7	-167.7	0	0	0	0	109.7	K140 D142 D143	K140-S183 VanDerWaalsContact O-CB 3.31Å; K140-S183 WeakPolarHBondContact O-CB 3.31Å; D142-S183 PolarHBondContact O-N 2.99Å; D143-S183 WeakPolarHBondContact OD1-CB 3.43Å
184	K	98.6	Very high	98.6	Very high	46 Å²	46	36.3 Å²	36.3	20%	0.2	17%	0.174	C	C	.	.			trans	-136.1	152.8	172.6	-46.1	-176.2	-142.5	87	0	110.8	D143 V144 M280 L283 E287 F288	D143-K184 WeakPolarHBondContact CA-O 3.46Å; D143-K184 VanDerWaalsContact OD1-CB 3.24Å; D143-K184 WeakPolarHBondContact OD1-CB 3.41Å; D143-K184 WeakPolarHBondContact OD1-CG 3.46Å; D143-K184 PolarHBondContact OD1-N 3.4Å; D143-K184 IonicContact OD1-NZ 2.87Å; D143-K184 IonicContact OD2-NZ 2.89Å; D143-K184 PolarHBondContact OD2-NZ 3.48Å; D143-K184 VanDerWaalsContact OD2-NZ 3.14Å; V144-K184 PolarHBondContact N-O 3.36Å; K184-M280 HydrophobicContact CB-CE 3.73Å; K184-M280 HydrophobicContact CD-CE 4.43Å; K184-L283 HydrophobicContact CD-CD1 3.27Å; K184-E287 IonicContact NZ-OE2 2.61Å; K184-E287 PolarHBondContact NZ-OE2 3.41Å; K184-F288 HydrophobicContact CB-CE1 3.76Å; K184-F288 HydrophobicContact CB-CZ 3.87Å; K184-F288 HydrophobicContact CD-CZ 4.28Å
185	L	98.8	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.5	-177.3	172.8	62	0	0	0	110.7	V144 I146 L173 Y182 I187 S207 I208 Y209	V144-L185 HydrophobicContact CB-CD1 3.69Å; V144-L185 HydrophobicContact CG1-CD1 3.64Å; V144-L185 CarbonylContact O-C 3.57Å; V144-L185 WeakPolarHBondContact O-CA 3.14Å; V144-L185 WeakPolarHBondContact O-CD1 3.46Å; I146-L185 HydrophobicContact CD1-CD1 3.69Å; I146-L185 HydrophobicContact CD1-CD2 4.38Å; I146-L185 HydrophobicContact CG1-CD1 3.85Å; L173-L185 HydrophobicContact CD2-CD2 3.74Å; Y182-L185 HydrophobicContact CD1-CB 4.2Å; Y182-L185 HydrophobicContact CD1-CD2 4.22Å; Y182-L185 HydrophobicContact CD2-CB 3.86Å; Y182-L185 HydrophobicContact CE1-CB 4.22Å; Y182-L185 HydrophobicContact CE1-CD2 3.86Å; Y182-L185 HydrophobicContact CE2-CB 3.89Å; Y182-L185 HydrophobicContact CG-CB 4.02Å; L185-I187 HydrophobicContact CD1-CG1 4.13Å; L185-I187 HydrophobicContact CD2-CD1 3.93Å; L185-I187 HydrophobicContact CD2-CG1 4.2Å; L185-I187 HydrophobicContact CG-CD1 4.13Å; L185-I187 HydrophobicContact CG-CG1 3.85Å; L185-S207 PolarHBondContact N-O 3.42Å; L185-I208 HydrophobicContact CB-CG1 4.16Å; L185-I208 HydrophobicContact CD2-CD1 4.03Å; L185-I208 HydrophobicContact CD2-CG1 4.04Å; L185-I208 HydrophobicContact CD2-CG2 4.44Å; L185-I208 HydrophobicContact CG-CG1 4.4Å; L185-I208 HydrophobicContact CG-CG2 4.37Å; L185-I208 CarbonylContact O-C 3.42Å; L185-I208 VanDerWaalsContact O-CA 3.26Å; L185-I208 WeakPolarHBondContact O-CA 3.41Å; L185-Y209 PolarHBondContact O-N 2.84Å
186	V	98.9	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.9	171.2	171.2	0	0	0	0	109.5	V144 F145 I146 Y188 Y209 L256 M280 F288	V144-V186 PolarHBondContact O-N 3.29Å; F145-V186 CarbonylContact C-O 3.59Å; F145-V186 WeakPolarHBondContact CA-O 3.46Å; F145-V186 HydrophobicContact CD2-CB 4.11Å; F145-V186 HydrophobicContact CD2-CG1 3.8Å; F145-V186 HydrophobicContact CE2-CG1 4.03Å; I146-V186 PolarHBondContact N-O 2.98Å; V186-Y188 HydrophobicContact CG1-CD1 3.84Å; V186-Y188 HydrophobicContact CG1-CE1 3.32Å; V186-Y209 CarbonylContact C-O 3.52Å; V186-Y209 VanDerWaalsContact CA-O 3.25Å; V186-Y209 WeakPolarHBondContact CA-O 3.37Å; V186-Y209 HydrophobicContact CG1-CD1 4.47Å; V186-L256 HydrophobicContact CG1-CD2 4.36Å; V186-L256 HydrophobicContact CG2-CD1 3.76Å; V186-L256 HydrophobicContact CG2-CD2 4.17Å; V186-M280 HydrophobicContact CG2-CE 4.2Å; V186-F288 HydrophobicContact CB-CB 4.42Å; V186-F288 HydrophobicContact CB-CD1 3.89Å; V186-F288 HydrophobicContact CB-CE1 4.3Å; V186-F288 HydrophobicContact CB-CG 4.01Å; V186-F288 HydrophobicContact CG2-CB 4.38Å; V186-F288 HydrophobicContact CG2-CD1 3.47Å; V186-F288 VanDerWaalsContact CG2-CD1 3.47Å; V186-F288 HydrophobicContact CG2-CD2 3.63Å; V186-F288 HydrophobicContact CG2-CE1 3.51Å; V186-F288 HydrophobicContact CG2-CE2 3.67Å; V186-F288 HydrophobicContact CG2-CG 3.53Å; V186-F288 HydrophobicContact CG2-CZ 3.61Å
187	I	99	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	118.9	-177.7	-47.6	176.2	0	0	0	110.7	I146 F169 L173 L185 I189 F198 I208 Y209 A210 T211	I146-I187 HydrophobicContact CB-CG1 4.34Å; I146-I187 HydrophobicContact CB-CG2 4.16Å; I146-I187 HydrophobicContact CD1-CG1 4.43Å; I146-I187 HydrophobicContact CG2-CG2 4.22Å; I146-I187 CarbonylContact O-C 3.48Å; I146-I187 VanDerWaalsContact O-CA 3.31Å; I146-I187 WeakPolarHBondContact O-CA 3.35Å; F169-I187 HydrophobicContact CE1-CD1 4.46Å; F169-I187 HydrophobicContact CZ-CD1 4.08Å; F169-I187 HydrophobicContact CZ-CG2 4.32Å; L173-I187 HydrophobicContact CD1-CD1 3.9Å; L173-I187 HydrophobicContact CD2-CD1 3.77Å; L185-I187 HydrophobicContact CD1-CG1 4.13Å; L185-I187 HydrophobicContact CD2-CD1 3.93Å; L185-I187 HydrophobicContact CD2-CG1 4.2Å; L185-I187 HydrophobicContact CG-CD1 4.13Å; L185-I187 HydrophobicContact CG-CG1 3.85Å; I187-I189 HydrophobicContact CG2-CD1 4.34Å; I187-I189 HydrophobicContact CG2-CG1 3.99Å; I187-F198 HydrophobicContact CB-CZ 4.31Å; I187-F198 HydrophobicContact CD1-CE1 4.34Å; I187-F198 HydrophobicContact CD1-CZ 4.38Å; I187-F198 HydrophobicContact CG2-CZ 3.94Å; I187-I208 HydrophobicContact CD1-CG2 3.69Å; I187-I208 HydrophobicContact CG1-CG2 4.12Å; I187-Y209 PolarHBondContact N-O 2.73Å; I187-A210 HydrophobicContact CB-CB 4.18Å; I187-A210 CarbonylContact O-C 3.55Å; I187-A210 WeakPolarHBondContact O-CA 3.17Å; I187-T211 PolarHBondContact O-N 2.8Å
188	Y	98.9	Very high	98.6	Very high	4 Å²	4	24 Å²	24	2%	0.016	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.5	172.9	-65.9	-2	0	0	0	109.4	F145 I146 Y147 F148 V186 T211 W242 L256 Q259	F145-Y188 HydrophobicContact CE2-CD1 4.19Å; F145-Y188 AromaticContact CE2-CD2 3.59Å; F145-Y188 HydrophobicContact CE2-CD2 3.59Å; F145-Y188 HydrophobicContact CE2-CE1 4.41Å; F145-Y188 AromaticContact CE2-CE2 3.88Å; F145-Y188 HydrophobicContact CE2-CE2 3.88Å; F145-Y188 AromaticContact CE2-CG 3.76Å; F145-Y188 HydrophobicContact CE2-CG 3.76Å; F145-Y188 AromaticContact CZ-CD2 3.71Å; F145-Y188 HydrophobicContact CZ-CD2 3.71Å; F145-Y188 HydrophobicContact CZ-CE2 4.19Å; F145-Y188 HydrophobicContact CZ-CG 4.16Å; I146-Y188 PolarHBondContact O-N 3.3Å; Y147-Y188 WeakPolarHBondContact CA-O 3.48Å; F148-Y188 PolarHBondContact N-O 3.21Å; V186-Y188 HydrophobicContact CG1-CD1 3.84Å; V186-Y188 HydrophobicContact CG1-CE1 3.32Å; Y188-T211 WeakPolarHBondContact CA-O 2.95Å; Y188-T211 WeakPolarHBondContact CD1-OG1 3.26Å; Y188-T211 HydrophobicContact CE1-CG2 4.49Å; Y188-T211 WeakPolarHBondContact CE1-OG1 3.07Å; Y188-W242 HydrophobicContact CD2-CB 4.47Å; Y188-W242 AromaticContact CD2-CD2 3.64Å; Y188-W242 HydrophobicContact CD2-CD2 3.64Å; Y188-W242 AromaticContact CD2-CE2 3.96Å; Y188-W242 AromaticContact CD2-CE3 3.93Å; Y188-W242 HydrophobicContact CD2-CE3 3.93Å; Y188-W242 AromaticContact CD2-CG 3.86Å; Y188-W242 HydrophobicContact CD2-CG 3.86Å; Y188-W242 HydrophobicContact CE2-CB 4.37Å; Y188-W242 HydrophobicContact CE2-CD2 4.02Å; Y188-W242 AromaticContact CE2-CE3 3.97Å; Y188-W242 HydrophobicContact CE2-CE3 3.97Å; Y188-W242 HydrophobicContact CE2-CG 4.18Å; Y188-L256 WeakPolarHBondContact OH-CD2 3.46Å; Y188-Q259 PolarHBondContact OH-OE1 2.75Å
189	I	98.9	Very high	98.6	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.6	178.2	-58.5	-170.2	0	0	0	109.8	F148 I157 F169 I187 A191 M197 F198 T211 T212 A213	F148-I189 HydrophobicContact CD1-CG2 4.1Å; I157-I189 HydrophobicContact CD1-CD1 4.49Å; I157-I189 HydrophobicContact CG2-CG2 4.18Å; F169-I189 HydrophobicContact CE1-CD1 4.14Å; I187-I189 HydrophobicContact CG2-CD1 4.34Å; I187-I189 HydrophobicContact CG2-CG1 3.99Å; I189-A191 HydrophobicContact CG2-CB 4.24Å; I189-M197 HydrophobicContact CD1-CB 4.19Å; I189-M197 HydrophobicContact CD1-CG 4.34Å; I189-F198 HydrophobicContact CD1-CE2 3.52Å; I189-F198 HydrophobicContact CD1-CZ 3.49Å; I189-F198 VanDerWaalsContact CD1-CZ 3.49Å; I189-F198 HydrophobicContact CG1-CE2 4.01Å; I189-F198 HydrophobicContact CG1-CZ 4.17Å; I189-T211 PolarHBondContact N-O 3.09Å; I189-T211 VanDerWaalsContact N-O 3.07Å; I189-T212 HydrophobicContact CB-CG2 4.39Å; I189-T212 WeakPolarHBondContact O-CA 3.26Å; I189-A213 PolarHBondContact O-N 3.01Å
190	E	98.9	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.4	160.9	173.3	61.6	-100	0	0	109.3	Y147 F148 T149 D150 A213 S220 D236 Y238 S239	Y147-E190 HydrophobicContact CE2-CB 4.34Å; F148-E190 PolarHBondContact O-N 2.91Å; T149-E190 WeakPolarHBondContact CA-O 3.34Å; T149-E190 WeakPolarHBondContact OG1-CG 3.39Å; D150-E190 PolarHBondContact N-O 2.59Å; D150-E190 VanDerWaalsContact N-O 3.12Å; E190-A213 WeakPolarHBondContact OE1-CB 3.39Å; E190-S220 WeakPolarHBondContact OE1-CB 3.48Å; E190-S220 PolarHBondContact OE1-OG 2.84Å; E190-D236 VanDerWaalsContact CD-CB 3.49Å; E190-D236 HydrophobicContact CG-CB 3.57Å; E190-D236 VanDerWaalsContact OE2-CB 3.3Å; E190-D236 WeakPolarHBondContact OE2-CB 3.22Å; E190-Y238 HydrophobicContact CB-CD1 4.19Å; E190-Y238 WeakPolarHBondContact OE2-CB 3.44Å; E190-S239 WeakPolarHBondContact CB-OG 3.17Å; E190-S239 VanDerWaalsContact CG-OG 3.31Å; E190-S239 WeakPolarHBondContact CG-OG 3.14Å; E190-S239 PolarHBondContact OE2-N 2.8Å; E190-S239 PolarHBondContact OE2-OG 3.4Å
191	A	98.8	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-173.9	160.5	169.7	0	0	0	0	0	110.7	D150 I157 I189 S194	D150-A191 VanDerWaalsContact O-CA 3.26Å; D150-A191 WeakPolarHBondContact O-CA 3.33Å; D150-A191 WeakPolarHBondContact O-CB 3.36Å; I157-A191 HydrophobicContact CG2-CB 3.97Å; I189-A191 HydrophobicContact CG2-CB 4.24Å; A191-S194 WeakPolarHBondContact O-CB 3.31Å; A191-S194 PolarHBondContact O-N 3.38Å; A191-S194 PolarHBondContact O-OG 3.1Å
192	C	98.5	Very high	98.6	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.014	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	137.4	164.5	-59.5	0	0	0	0	110.1	G152 S194 S219	G152-C192 CarbonylContact C-O 3.56Å; G152-C192 WeakPolarHBondContact CA-O 3.19Å; C192-S194 PolarHBondContact O-N 3.09Å; C192-S219 PolarHBondContact SG-OG 3.26Å
193	E	98.4	Very high	98.5	Very high	2 Å²	2	21 Å²	21	1%	0.009	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	22.9	-178.1	-63.7	79	-155.4	0	0	114.4	P154 G195 S196 S215 P216 E218 S219 R313	P154-E193 HydrophobicContact CG-CB 4.18Å; P154-E193 HydrophobicContact CG-CG 3.91Å; E193-G195 PolarHBondContact O-N 3.22Å; E193-S196 WeakPolarHBondContact O-CB 3.25Å; E193-S196 PolarHBondContact O-N 2.68Å; E193-S196 PolarHBondContact O-OG 3Å; E193-S215 WeakPolarHBondContact CA-O 3.45Å; E193-P216 WeakPolarHBondContact CG-O 3.3Å; E193-E218 WeakPolarHBondContact CA-O 3.39Å; E193-E218 PolarHBondContact N-O 2.73Å; E193-E218 WeakPolarHBondContact OE1-CA 3.38Å; E193-E218 VanDerWaalsContact OE1-O 3.11Å; E193-S219 PolarHBondContact OE1-N 3.43Å; E193-R313 IonicContact OE1-CZ 3.17Å; E193-R313 IonicContact OE1-NH1 2.62Å; E193-R313 IonicContact OE1-NH2 2.75Å; E193-R313 PolarHBondContact OE1-NH2 3.11Å; E193-R313 IonicContact OE2-CZ 3.65Å; E193-R313 IonicContact OE2-NH2 2.74Å; E193-R313 PolarHBondContact OE2-NH2 2.64Å
194	S	98.8	Very high	98.5	Very high	1 Å²	1	22 Å²	22	1%	0.007	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-55.4	-30.2	-174.9	42.1	0	0	0	0	113.7	A191 C192 S196 M197 T212 A213 A214	A191-S194 WeakPolarHBondContact O-CB 3.31Å; A191-S194 PolarHBondContact O-N 3.38Å; A191-S194 PolarHBondContact O-OG 3.1Å; C192-S194 PolarHBondContact O-N 3.09Å; S194-S196 PolarHBondContact O-N 2.95Å; S194-M197 WeakPolarHBondContact O-CB 3.14Å; S194-M197 PolarHBondContact O-N 2.77Å; S194-M197 VanDerWaalsContact O-N 3.11Å; S194-T212 WeakPolarHBondContact OG-CB 3.24Å; S194-A213 PolarHBondContact OG-N 3.06Å; S194-A214 PolarHBondContact OG-N 3.02Å; S194-A214 VanDerWaalsContact OG-N 3.14Å
195	G	98.7	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-58.4	-26	173	0	0	0	0	0	114.3	E193 M197 F198 Q199 T212 A214 Y275	E193-G195 PolarHBondContact O-N 3.22Å; G195-M197 PolarHBondContact O-N 3.22Å; G195-F198 PolarHBondContact O-N 3.36Å; G195-Q199 WeakPolarHBondContact O-CB 2.86Å; G195-Q199 PolarHBondContact O-N 3.26Å; G195-T212 WeakPolarHBondContact CA-OG1 3.41Å; G195-T212 PolarHBondContact N-OG1 2.89Å; G195-A214 PolarHBondContact N-O 3.05Å; G195-A214 VanDerWaalsContact N-O 3.12Å; G195-Y275 WeakPolarHBondContact CA-OH 3.15Å; G195-Y275 PolarHBondContact O-OH 2.62Å
196	S	98.4	Very high	98.4	Very high	5 Å²	5	25.6 Å²	25.6	4%	0.035	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-65.7	-18.5	177.7	70.4	0	0	0	0	113.1	G155 E193 S194 F198	G155-S196 PolarHBondContact N-OG 2.89Å; E193-S196 WeakPolarHBondContact O-CB 3.25Å; E193-S196 PolarHBondContact O-N 2.68Å; E193-S196 PolarHBondContact O-OG 3Å; S194-S196 PolarHBondContact O-N 2.95Å; S196-F198 PolarHBondContact O-N 2.87Å
197	M	98.8	Very high	98.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-70.9	-13.1	175.6	-63	-58.4	-70.1	0	0	113.7	I157 A166 F169 I189 S194 G195 I201	I157-M197 HydrophobicContact CD1-CE 4.11Å; I157-M197 HydrophobicContact CG1-CE 3.98Å; I157-M197 HydrophobicContact CG2-CE 4.46Å; I157-M197 HydrophobicContact CG2-CG 3.89Å; I157-M197 HydrophobicContact CG2-SD 4.07Å; A166-M197 HydrophobicContact CB-CE 4.15Å; A166-M197 HydrophobicContact CB-SD 3.83Å; F169-M197 HydrophobicContact CB-CE 4.14Å; F169-M197 HydrophobicContact CD1-CE 4.04Å; F169-M197 HydrophobicContact CG-CE 4.46Å; I189-M197 HydrophobicContact CD1-CB 4.19Å; I189-M197 HydrophobicContact CD1-CG 4.34Å; S194-M197 WeakPolarHBondContact O-CB 3.14Å; S194-M197 PolarHBondContact O-N 2.77Å; S194-M197 VanDerWaalsContact O-N 3.11Å; G195-M197 PolarHBondContact O-N 3.22Å; M197-I201 WeakPolarHBondContact O-CD1 3.47Å
198	F	98.8	Very high	98.4	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-24	-175.5	-56.6	-61	0	0	0	114.3	F169 L173 I187 I189 G195 S196 R200 I201 L202 A210 T212 Y275	F169-F198 HydrophobicContact CD1-CE1 4.26Å; F169-F198 AromaticContact CE1-CE1 3.75Å; F169-F198 HydrophobicContact CE1-CE1 3.75Å; F169-F198 AromaticContact CE1-CZ 3.84Å; F169-F198 HydrophobicContact CE1-CZ 3.84Å; L173-F198 HydrophobicContact CD1-CE1 4.28Å; I187-F198 HydrophobicContact CB-CZ 4.31Å; I187-F198 HydrophobicContact CD1-CE1 4.34Å; I187-F198 HydrophobicContact CD1-CZ 4.38Å; I187-F198 HydrophobicContact CG2-CZ 3.94Å; I189-F198 HydrophobicContact CD1-CE2 3.52Å; I189-F198 HydrophobicContact CD1-CZ 3.49Å; I189-F198 VanDerWaalsContact CD1-CZ 3.49Å; I189-F198 HydrophobicContact CG1-CE2 4.01Å; I189-F198 HydrophobicContact CG1-CZ 4.17Å; G195-F198 PolarHBondContact O-N 3.36Å; S196-F198 PolarHBondContact O-N 2.87Å; F198-R200 PolarHBondContact O-N 2.9Å; F198-R200 VanDerWaalsContact O-N 3.15Å; F198-I201 WeakPolarHBondContact O-CG1 3.5Å; F198-I201 PolarHBondContact O-N 2.97Å; F198-L202 HydrophobicContact CB-CB 3.97Å; F198-L202 HydrophobicContact CB-CD2 4.28Å; F198-L202 HydrophobicContact CD1-CB 4.03Å; F198-L202 HydrophobicContact CD1-CD2 3.69Å; F198-L202 HydrophobicContact CD1-CG 4.31Å; F198-L202 HydrophobicContact CE1-CD2 4.26Å; F198-L202 HydrophobicContact CG-CB 4.43Å; F198-L202 HydrophobicContact CG-CD2 4.11Å; F198-L202 PolarHBondContact O-N 2.77Å; F198-A210 HydrophobicContact CD1-CB 4.36Å; F198-A210 HydrophobicContact CD2-CB 3.88Å; F198-A210 HydrophobicContact CE1-CB 4.14Å; F198-A210 HydrophobicContact CE2-CB 3.64Å; F198-A210 HydrophobicContact CG-CB 4.21Å; F198-A210 HydrophobicContact CZ-CB 3.76Å; F198-T212 HydrophobicContact CD2-CG2 3.62Å; F198-T212 HydrophobicContact CE2-CG2 3.73Å; F198-Y275 HydrophobicContact CB-CD1 4.07Å; F198-Y275 HydrophobicContact CB-CD2 3.63Å; F198-Y275 HydrophobicContact CB-CE2 4.23Å; F198-Y275 HydrophobicContact CB-CG 3.53Å; F198-Y275 AromaticContact CD2-CD2 3.92Å; F198-Y275 HydrophobicContact CD2-CD2 3.92Å; F198-Y275 HydrophobicContact CD2-CE2 4.48Å; F198-Y275 HydrophobicContact CG-CD2 4.2Å; F198-Y275 HydrophobicContact CG-CG 4.41Å
199	Q	98.1	Very high	98.4	Very high	64 Å²	64	27.3 Å²	27.3	30%	0.299	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	123	-176	-171.9	-173.3	58.8	0	0	110.8	G195 I201 P216 Y275	G195-Q199 WeakPolarHBondContact O-CB 2.86Å; G195-Q199 PolarHBondContact O-N 3.26Å; Q199-I201 PolarHBondContact O-N 3.36Å; Q199-I201 VanDerWaalsContact O-N 3.09Å; Q199-P216 HydrophobicContact CB-CG 3.87Å; Q199-P216 HydrophobicContact CG-CG 4.2Å; Q199-Y275 HydrophobicContact CB-CE1 3.96Å; Q199-Y275 HydrophobicContact CG-CE1 4.37Å
200	R	97.3	Very high	98.4	Very high	180 Å²	180	27.2 Å²	27.2	68%	0.679	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	3.4	179.9	-66.6	173.1	-82.3	175.3	-7.2	115.7	F198 I373	F198-R200 PolarHBondContact O-N 2.9Å; F198-R200 VanDerWaalsContact O-N 3.15Å; R200-I373 HydrophobicContact CB-CB 4.41Å; R200-I373 HydrophobicContact CB-CG1 4.15Å; R200-I373 HydrophobicContact CB-CG2 4.44Å
201	I	97.9	Very high	98.4	Very high	18 Å²	18	27.4 Å²	27.4	9%	0.092	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-20.5	-178	62.3	171.4	0	0	0	115.3	A166 M170 M197 F198 Q199 P203 I373 L377	A166-I201 HydrophobicContact CB-CD1 3.86Å; M170-I201 VanDerWaalsContact SD-O 3.33Å; M197-I201 WeakPolarHBondContact O-CD1 3.47Å; F198-I201 WeakPolarHBondContact O-CG1 3.5Å; F198-I201 PolarHBondContact O-N 2.97Å; Q199-I201 PolarHBondContact O-N 3.36Å; Q199-I201 VanDerWaalsContact O-N 3.09Å; I201-P203 WeakPolarHBondContact O-CD 3.24Å; I201-I373 HydrophobicContact CG2-CD1 4.48Å; I201-I373 HydrophobicContact CG2-CG1 3.47Å; I201-I373 VanDerWaalsContact CG2-CG1 3.47Å; I201-I373 HydrophobicContact CG2-CG2 4.19Å; I201-L377 HydrophobicContact CD1-CD1 4.01Å; I201-L377 HydrophobicContact CG2-CD1 3.8Å
202	L	98.5	Very high	98.4	Very high	17 Å²	17	27.4 Å²	27.4	9%	0.089	14%	0.143	C	C	.	.	S	Bend	trans	-90.3	104.1	174.7	-178	63.4	0	0	0	110.4	M170 L173 F198 L206 I208 A210	M170-L202 HydrophobicContact CE-CD1 3.77Å; M170-L202 HydrophobicContact SD-CB 4.3Å; M170-L202 HydrophobicContact SD-CD1 3.88Å; L173-L202 HydrophobicContact CD1-CD1 4.44Å; F198-L202 HydrophobicContact CB-CB 3.97Å; F198-L202 HydrophobicContact CB-CD2 4.28Å; F198-L202 HydrophobicContact CD1-CB 4.03Å; F198-L202 HydrophobicContact CD1-CD2 3.69Å; F198-L202 HydrophobicContact CD1-CG 4.31Å; F198-L202 HydrophobicContact CE1-CD2 4.26Å; F198-L202 HydrophobicContact CG-CB 4.43Å; F198-L202 HydrophobicContact CG-CD2 4.11Å; F198-L202 PolarHBondContact O-N 2.77Å; L202-L206 HydrophobicContact CD1-CD1 4.23Å; L202-I208 HydrophobicContact CD1-CB 4.14Å; L202-I208 HydrophobicContact CD1-CD1 3.99Å; L202-I208 HydrophobicContact CD1-CG2 4.11Å; L202-I208 HydrophobicContact CD2-CG2 4.02Å; L202-A210 HydrophobicContact CD2-CB 3.88Å
203	P	97.6	Very high	98.4	Very high	47 Å²	47	27.3 Å²	27.3	31%	0.305	14%	0.142	S	C	.	.			trans	-77.7	156	179.9	31.2	-31	0	0	0	111.4	I201 N205 L206	I201-P203 WeakPolarHBondContact O-CD 3.24Å; P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 WeakPolarHBondContact CB-OD1 3.03Å; P203-N205 PolarHBondContact O-N 2.77Å; P203-L206 HydrophobicContact CG-CD1 3.73Å; P203-L206 HydrophobicContact CG-CD2 4.24Å; P203-L206 HydrophobicContact CG-CG 3.79Å
204	S	97.9	Very high	98.5	Very high	71 Å²	71	27.2 Å²	27.2	50%	0.497	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1.4	-175.7	55.8	0	0	0	0	114.8	D277	S204-D277 VanDerWaalsContact O-CB 3.32Å; S204-D277 WeakPolarHBondContact O-CB 3.47Å
205	N	97.9	Very high	98.4	Very high	109 Å²	109	27.9 Å²	27.9	58%	0.583	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	13.8	-175.9	69.7	-25.3	0	0	0	114.1	H177 P203	H177-N205 PolarHBondContact NE2-O 3.01Å; P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 WeakPolarHBondContact CB-OD1 3.03Å; P203-N205 PolarHBondContact O-N 2.77Å
206	L	98.5	Very high	98.4	Very high	12 Å²	12	28.5 Å²	28.5	6%	0.063	15%	0.15	C	C	.	.	S	Bend	trans	-99.2	1.4	178.2	-52.2	-177.5	0	0	0	113.8	M170 K174 H177 Y182 L202 P203 I208	M170-L206 HydrophobicContact CE-CD1 3.38Å; K174-L206 HydrophobicContact CG-CD1 4.31Å; H177-L206 HydrophobicContact CB-CD2 4.49Å; H177-L206 WeakPolarHBondContact CD2-CD2 3.24Å; Y182-L206 VanDerWaalsContact CE2-O 3.27Å; Y182-L206 WeakPolarHBondContact CE2-O 3.25Å; Y182-L206 PolarHBondContact OH-O 2.87Å; L202-L206 HydrophobicContact CD1-CD1 4.23Å; P203-L206 HydrophobicContact CG-CD1 3.73Å; P203-L206 HydrophobicContact CG-CD2 4.24Å; P203-L206 HydrophobicContact CG-CG 3.79Å; L206-I208 HydrophobicContact CB-CB 4.47Å; L206-I208 HydrophobicContact CB-CD1 3.77Å; L206-I208 HydrophobicContact CB-CG1 3.75Å; L206-I208 HydrophobicContact CD1-CD1 4.04Å; L206-I208 WeakPolarHBondContact O-CG1 3.35Å; L206-I208 PolarHBondContact O-N 3.26Å
207	S	98.5	Very high	98.4	Very high	40 Å²	40	33.6 Å²	33.6	28%	0.28	18%	0.181	S	C	.	.	S	Bend	trans	53.4	42.1	-170.8	-54.7	0	0	0	0	112.3	L185 M280	L185-S207 PolarHBondContact N-O 3.42Å; S207-M280 VanDerWaalsContact O-SD 3.42Å
208	I	98.9	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.4	177.1	-56.3	-180	0	0	0	108.7	L173 Y182 L185 I187 L202 L206 G276 D277	L173-I208 HydrophobicContact CB-CD1 3.89Å; L173-I208 HydrophobicContact CD1-CD1 4.13Å; L173-I208 HydrophobicContact CD2-CD1 4.27Å; L173-I208 HydrophobicContact CG-CD1 4.32Å; Y182-I208 HydrophobicContact CE2-CG1 4.46Å; Y182-I208 WeakPolarHBondContact OH-CD1 3.13Å; Y182-I208 WeakPolarHBondContact OH-CG1 3.47Å; L185-I208 HydrophobicContact CB-CG1 4.16Å; L185-I208 HydrophobicContact CD2-CD1 4.03Å; L185-I208 HydrophobicContact CD2-CG1 4.04Å; L185-I208 HydrophobicContact CD2-CG2 4.44Å; L185-I208 HydrophobicContact CG-CG1 4.4Å; L185-I208 HydrophobicContact CG-CG2 4.37Å; L185-I208 CarbonylContact O-C 3.42Å; L185-I208 VanDerWaalsContact O-CA 3.26Å; L185-I208 WeakPolarHBondContact O-CA 3.41Å; I187-I208 HydrophobicContact CD1-CG2 3.69Å; I187-I208 HydrophobicContact CG1-CG2 4.12Å; L202-I208 HydrophobicContact CD1-CB 4.14Å; L202-I208 HydrophobicContact CD1-CD1 3.99Å; L202-I208 HydrophobicContact CD1-CG2 4.11Å; L202-I208 HydrophobicContact CD2-CG2 4.02Å; L206-I208 HydrophobicContact CB-CB 4.47Å; L206-I208 HydrophobicContact CB-CD1 3.77Å; L206-I208 HydrophobicContact CB-CG1 3.75Å; L206-I208 HydrophobicContact CD1-CD1 4.04Å; L206-I208 WeakPolarHBondContact O-CG1 3.35Å; L206-I208 PolarHBondContact O-N 3.26Å; I208-G276 CarbonylContact O-C 3.47Å; I208-G276 WeakPolarHBondContact O-CA 3.14Å; I208-D277 PolarHBondContact O-N 2.91Å
209	Y	98.8	Very high	98.3	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.5	168.5	-179	-84.7	0	0	0	108.5	L185 V186 I187 T211 L256 D257 R274 M280	L185-Y209 PolarHBondContact O-N 2.84Å; V186-Y209 CarbonylContact C-O 3.52Å; V186-Y209 VanDerWaalsContact CA-O 3.25Å; V186-Y209 WeakPolarHBondContact CA-O 3.37Å; V186-Y209 HydrophobicContact CG1-CD1 4.47Å; I187-Y209 PolarHBondContact N-O 2.73Å; Y209-T211 HydrophobicContact CD1-CG2 4.42Å; Y209-T211 HydrophobicContact CE1-CG2 3.6Å; Y209-L256 HydrophobicContact CD1-CD1 4.11Å; Y209-L256 HydrophobicContact CD2-CD1 4.49Å; Y209-L256 HydrophobicContact CE1-CB 4.11Å; Y209-L256 HydrophobicContact CE1-CD1 4.41Å; Y209-L256 HydrophobicContact CE2-CB 4.4Å; Y209-L256 HydrophobicContact CG-CD1 4.16Å; Y209-L256 PolarHBondContact OH-O 3.11Å; Y209-D257 PolarHBondContact OH-OD1 2.98Å; Y209-R274 HydrophobicContact CE1-CG 4.44Å; Y209-R274 HydrophobicContact CE2-CG 3.91Å; Y209-R274 VanDerWaalsContact CZ-CD 3.5Å; Y209-R274 WeakPolarHBondContact OH-CD 3.26Å; Y209-M280 HydrophobicContact CD2-CB 4.08Å; Y209-M280 HydrophobicContact CG-CB 4.43Å
210	A	98.9	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.1	-179.3	0	0	0	0	0	111.7	I187 F198 L202 R274 Y275	I187-A210 HydrophobicContact CB-CB 4.18Å; I187-A210 CarbonylContact O-C 3.55Å; I187-A210 WeakPolarHBondContact O-CA 3.17Å; F198-A210 HydrophobicContact CD1-CB 4.36Å; F198-A210 HydrophobicContact CD2-CB 3.88Å; F198-A210 HydrophobicContact CE1-CB 4.14Å; F198-A210 HydrophobicContact CE2-CB 3.64Å; F198-A210 HydrophobicContact CG-CB 4.21Å; F198-A210 HydrophobicContact CZ-CB 3.76Å; L202-A210 HydrophobicContact CD2-CB 3.88Å; A210-R274 CarbonylContact O-C 3.6Å; A210-R274 VanDerWaalsContact O-CA 3.3Å; A210-R274 WeakPolarHBondContact O-CA 3.32Å; A210-Y275 PolarHBondContact N-O 2.82Å; A210-Y275 VanDerWaalsContact N-O 3.09Å; A210-Y275 PolarHBondContact O-N 2.98Å
211	T	98.9	Very high	98.3	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.8	169	56.3	0	0	0	0	110.5	I187 Y188 I189 Y209 Y238 Y260 Q273 R274	I187-T211 PolarHBondContact O-N 2.8Å; Y188-T211 WeakPolarHBondContact CA-O 2.95Å; Y188-T211 WeakPolarHBondContact CD1-OG1 3.26Å; Y188-T211 HydrophobicContact CE1-CG2 4.49Å; Y188-T211 WeakPolarHBondContact CE1-OG1 3.07Å; I189-T211 PolarHBondContact N-O 3.09Å; I189-T211 VanDerWaalsContact N-O 3.07Å; Y209-T211 HydrophobicContact CD1-CG2 4.42Å; Y209-T211 HydrophobicContact CE1-CG2 3.6Å; T211-Y238 PolarHBondContact OG1-OH 3.02Å; T211-Y260 HydrophobicContact CG2-CD2 3.71Å; T211-Y260 HydrophobicContact CG2-CE2 4.39Å; T211-Y260 HydrophobicContact CG2-CG 4.44Å; T211-Q273 WeakPolarHBondContact CA-O 3.47Å; T211-Q273 WeakPolarHBondContact CB-O 3.38Å; T211-R274 HydrophobicContact CG2-CB 4.25Å; T211-R274 HydrophobicContact CG2-CG 4.22Å
212	T	98.9	Very high	98.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.8	-173.8	66.1	0	0	0	0	110.8	I189 S194 G195 F198 A214 V272 Q273 Y275	I189-T212 HydrophobicContact CB-CG2 4.39Å; I189-T212 WeakPolarHBondContact O-CA 3.26Å; S194-T212 WeakPolarHBondContact OG-CB 3.24Å; G195-T212 WeakPolarHBondContact CA-OG1 3.41Å; G195-T212 PolarHBondContact N-OG1 2.89Å; F198-T212 HydrophobicContact CD2-CG2 3.62Å; F198-T212 HydrophobicContact CE2-CG2 3.73Å; T212-A214 PolarHBondContact O-N 3.4Å; T212-A214 PolarHBondContact OG1-O 2.86Å; T212-V272 VanDerWaalsContact O-CA 3.28Å; T212-V272 WeakPolarHBondContact O-CA 3.32Å; T212-V272 WeakPolarHBondContact O-CG1 3.35Å; T212-Q273 PolarHBondContact N-O 2.96Å; T212-Q273 VanDerWaalsContact N-O 3.12Å; T212-Q273 PolarHBondContact O-N 3.46Å; T212-Q273 VanDerWaalsContact O-N 3.15Å; T212-Q273 WeakPolarHBondContact OG1-CB 3.36Å; T212-Y275 HydrophobicContact CG2-CD2 4.26Å; T212-Y275 HydrophobicContact CG2-CE2 4.05Å
213	A	98.9	Very high	98.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-60.3	-32.6	180	0	0	0	0	0	113.8	I189 E190 S194 Y238 S270	I189-A213 PolarHBondContact O-N 3.01Å; E190-A213 WeakPolarHBondContact OE1-CB 3.39Å; S194-A213 PolarHBondContact OG-N 3.06Å; A213-Y238 VanDerWaalsContact CA-CG 3.45Å; A213-Y238 HydrophobicContact CB-CD1 3.54Å; A213-Y238 HydrophobicContact CB-CD2 4.41Å; A213-Y238 HydrophobicContact CB-CE1 4.36Å; A213-Y238 HydrophobicContact CB-CG 3.56Å; A213-S270 WeakPolarHBondContact O-CB 3.44Å; A213-S270 PolarHBondContact O-OG 3.18Å
214	A	98.8	Very high	98.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-137.3	161.7	-172.9	0	0	0	0	0	112	S194 G195 T212 E218 H271	S194-A214 PolarHBondContact OG-N 3.02Å; S194-A214 VanDerWaalsContact OG-N 3.14Å; G195-A214 PolarHBondContact N-O 3.05Å; G195-A214 VanDerWaalsContact N-O 3.12Å; T212-A214 PolarHBondContact O-N 3.4Å; T212-A214 PolarHBondContact OG1-O 2.86Å; A214-E218 HydrophobicContact CB-CG 3.89Å; A214-H271 CarbonylContact C-O 3.29Å; A214-H271 VanDerWaalsContact C-O 3.29Å
215	S	98.6	Very high	98.5	Very high	14 Å²	14	20.1 Å²	20.1	10%	0.098	11%	0.113	C	C	.	.			trans	-67.6	168.3	166.9	70.1	0	0	0	0	111.5	E193 T217 E218 H271	E193-S215 WeakPolarHBondContact CA-O 3.45Å; S215-T217 PolarHBondContact O-N 3.35Å; S215-E218 VanDerWaalsContact CB-OE1 3.24Å; S215-E218 WeakPolarHBondContact CB-OE1 3.43Å; S215-E218 PolarHBondContact N-OE1 3.37Å; S215-E218 WeakPolarHBondContact OG-CG 3.1Å; S215-E218 PolarHBondContact OG-OE1 2.84Å; S215-H271 PolarHBondContact N-O 2.78Å; S215-H271 VanDerWaalsContact N-O 3.13Å
216	P	98.1	Very high	98.5	Very high	13 Å²	13	18.5 Å²	18.5	8%	0.084	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-4.7	178.8	-22.6	34	0	0	0	115.9	E193 Q199	E193-P216 WeakPolarHBondContact CG-O 3.3Å; Q199-P216 HydrophobicContact CB-CG 3.87Å; Q199-P216 HydrophobicContact CG-CG 4.2Å
217	T	97.2	Very high	98.4	Very high	113 Å²	113	18 Å²	18	69%	0.693	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131	12.9	-167.5	56.5	0	0	0	0	113.4	S215	S215-T217 PolarHBondContact O-N 3.35Å
218	E	97.6	Very high	98.3	Very high	40 Å²	40	20.7 Å²	20.7	19%	0.187	12%	0.118	C	C	.	.	S	Bend	trans	-143.8	161.7	-179.7	79	-163.1	146.6	0	0	112.8	E193 A214 S215 H271	E193-E218 WeakPolarHBondContact CA-O 3.39Å; E193-E218 PolarHBondContact N-O 2.73Å; E193-E218 WeakPolarHBondContact OE1-CA 3.38Å; E193-E218 VanDerWaalsContact OE1-O 3.11Å; A214-E218 HydrophobicContact CB-CG 3.89Å; S215-E218 VanDerWaalsContact CB-OE1 3.24Å; S215-E218 WeakPolarHBondContact CB-OE1 3.43Å; S215-E218 PolarHBondContact N-OE1 3.37Å; S215-E218 WeakPolarHBondContact OG-CG 3.1Å; S215-E218 PolarHBondContact OG-OE1 2.84Å; E218-H271 VanDerWaalsContact CD-ND1 3.3Å; E218-H271 WeakPolarHBondContact OE1-CA 3.49Å; E218-H271 WeakPolarHBondContact OE1-CB 3.24Å; E218-H271 IonicContact OE1-CG 2.98Å; E218-H271 PolarHBondContact OE1-N 3.48Å; E218-H271 IonicContact OE1-ND1 3.18Å; E218-H271 PolarHBondContact OE1-ND1 3.06Å; E218-H271 IonicContact OE2-CE1 2.56Å; E218-H271 PolarHBondContact OE2-CE1 3.27Å; E218-H271 IonicContact OE2-CG 3.58Å; E218-H271 IonicContact OE2-ND1 2.8Å; E218-H271 PolarHBondContact OE2-ND1 3.28Å
219	S	97.7	Very high	98.2	Very high	13 Å²	13	23.4 Å²	23.4	9%	0.091	13%	0.134	C	C	.	.			trans	-76.4	158.7	177.2	-163.7	0	0	0	0	112	C192 E193 S270	C192-S219 PolarHBondContact SG-OG 3.26Å; E193-S219 PolarHBondContact OE1-N 3.43Å; S219-S270 WeakPolarHBondContact O-CB 3.39Å
220	S	98.4	Very high	98.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	13%	0.134	C	C	.	.			trans	-95.4	-177.9	163	71.2	0	0	0	0	111.2	E190 S312	E190-S220 WeakPolarHBondContact OE1-CB 3.48Å; E190-S220 PolarHBondContact OE1-OG 2.84Å; S220-S312 VanDerWaalsContact C-OG 3.24Å; S220-S312 WeakPolarHBondContact O-CB 3.19Å; S220-S312 PolarHBondContact O-N 2.99Å; S220-S312 PolarHBondContact O-OG 3.18Å; S220-S312 PolarHBondContact OG-OG 2.85Å
221	Y	98.8	Very high	98.1	Very high	62 Å²	62	24 Å²	24	24%	0.243	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.8	-170.5	-68.1	-102.5	0	0	0	111.7	L237 L269 I310 A311 S312	Y221-L237 WeakPolarHBondContact O-CB 3.16Å; Y221-L237 PolarHBondContact O-N 3.33Å; Y221-L269 HydrophobicContact CD1-CB 3.93Å; Y221-L269 HydrophobicContact CD1-CD1 3.7Å; Y221-L269 HydrophobicContact CD1-CG 4.45Å; Y221-L269 HydrophobicContact CD2-CB 3.54Å; Y221-L269 HydrophobicContact CE1-CB 4Å; Y221-L269 HydrophobicContact CE1-CD1 4.17Å; Y221-L269 VanDerWaalsContact CE2-C 3.46Å; Y221-L269 HydrophobicContact CE2-CB 3.65Å; Y221-L269 WeakPolarHBondContact CE2-O 3.13Å; Y221-L269 HydrophobicContact CG-CB 3.72Å; Y221-L269 HydrophobicContact CG-CD1 3.99Å; Y221-L269 PolarHBondContact OH-O 2.58Å; Y221-I310 WeakPolarHBondContact CA-O 3.21Å; Y221-A311 VanDerWaalsContact CD1-CA 3.47Å; Y221-A311 HydrophobicContact CD1-CB 4.1Å; Y221-A311 HydrophobicContact CE1-CB 3.78Å; Y221-S312 PolarHBondContact N-OG 3.06Å
222	G	98.7	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	155.5	160.8	0	0	0	0	0	111	A235 S309 I310	G222-A235 CarbonylContact C-O 3.56Å; G222-A235 WeakPolarHBondContact CA-O 3.21Å; G222-S309 CarbonylContact O-C 3.55Å; G222-S309 WeakPolarHBondContact O-CA 3.48Å; G222-S309 VanDerWaalsContact O-CB 3.25Å; G222-S309 WeakPolarHBondContact O-CB 3.42Å; G222-I310 PolarHBondContact N-O 3.01Å; G222-I310 PolarHBondContact O-N 3.36Å
223	T	98.7	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	172	174.4	-161	0	0	0	0	111.7	C225 C233 L234 A235 L237 P306 R307 S309	T223-C225 VanDerWaalsContact C-N 3.32Å; T223-C225 PolarHBondContact O-N 3.41Å; T223-C233 WeakPolarHBondContact O-CB 3.31Å; T223-L234 PolarHBondContact O-N 2.7Å; T223-A235 HydrophobicContact CG2-CB 4.02Å; T223-A235 PolarHBondContact N-O 3.25Å; T223-A235 PolarHBondContact O-N 3Å; T223-L237 HydrophobicContact CG2-CD1 4.45Å; T223-P306 HydrophobicContact CG2-CB 4.08Å; T223-R307 PolarHBondContact OG1-N 3.36Å; T223-R307 PolarHBondContact OG1-O 2.84Å; T223-S309 WeakPolarHBondContact CB-OG 3.39Å; T223-S309 PolarHBondContact OG1-OG 3.31Å
224	F	98.6	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.			trans	55.3	45	-169.2	-54.2	-65.6	0	0	0	112.7	N96 D97 Y98 L234 A235 Y240 M304 P306 R307	N96-F224 WeakPolarHBondContact O-CD2 3.44Å; D97-F224 HydrophobicContact CB-CD2 4.22Å; D97-F224 HydrophobicContact CB-CE1 4.32Å; D97-F224 HydrophobicContact CB-CE2 4Å; D97-F224 HydrophobicContact CB-CZ 4.05Å; Y98-F224 HydrophobicContact CD1-CB 4.18Å; Y98-F224 HydrophobicContact CD1-CD1 4.5Å; Y98-F224 AromaticContact CD2-CD1 3.87Å; Y98-F224 HydrophobicContact CD2-CD1 3.87Å; Y98-F224 HydrophobicContact CE1-CB 3.67Å; Y98-F224 HydrophobicContact CE1-CD1 4.38Å; Y98-F224 HydrophobicContact CE1-CG 4.5Å; Y98-F224 WeakPolarHBondContact CE1-O 3.22Å; Y98-F224 HydrophobicContact CE2-CB 4.42Å; Y98-F224 AromaticContact CE2-CD1 3.74Å; Y98-F224 HydrophobicContact CE2-CD1 3.74Å; Y98-F224 HydrophobicContact CG-CD1 4.25Å; Y98-F224 WeakPolarHBondContact OH-CA 3.36Å; F224-L234 HydrophobicContact CB-CB 3.95Å; F224-L234 HydrophobicContact CB-CD1 4.21Å; F224-L234 HydrophobicContact CB-CG 4.18Å; F224-L234 PolarHBondContact O-N 3.45Å; F224-A235 HydrophobicContact CD2-CB 3.98Å; F224-A235 HydrophobicContact CE2-CB 4.41Å; F224-Y240 HydrophobicContact CD2-CD2 4.45Å; F224-Y240 HydrophobicContact CD2-CE2 4.47Å; F224-Y240 AromaticContact CE2-CD1 3.94Å; F224-Y240 HydrophobicContact CE2-CD1 3.94Å; F224-Y240 AromaticContact CE2-CD2 3.61Å; F224-Y240 HydrophobicContact CE2-CD2 3.61Å; F224-Y240 AromaticContact CE2-CE1 3.79Å; F224-Y240 HydrophobicContact CE2-CE1 3.79Å; F224-Y240 AromaticContact CE2-CE2 3.48Å; F224-Y240 HydrophobicContact CE2-CE2 3.48Å; F224-Y240 VanDerWaalsContact CE2-CE2 3.48Å; F224-Y240 AromaticContact CE2-CG 3.82Å; F224-Y240 HydrophobicContact CE2-CG 3.82Å; F224-Y240 AromaticContact CE2-CZ 3.55Å; F224-Y240 HydrophobicContact CZ-CD1 4.25Å; F224-Y240 HydrophobicContact CZ-CD2 4.46Å; F224-Y240 AromaticContact CZ-CE1 3.73Å; F224-Y240 HydrophobicContact CZ-CE1 3.73Å; F224-Y240 AromaticContact CZ-CE2 4Å; F224-Y240 HydrophobicContact CZ-CE2 4Å; F224-Y240 AromaticContact CZ-CZ 3.57Å; F224-M304 HydrophobicContact CD1-SD 4.43Å; F224-M304 HydrophobicContact CE1-CB 4.14Å; F224-M304 HydrophobicContact CE1-CG 3.94Å; F224-M304 HydrophobicContact CE1-SD 3.93Å; F224-M304 HydrophobicContact CZ-CB 4.27Å; F224-P306 HydrophobicContact CZ-CB 4.45Å; F224-P306 HydrophobicContact CZ-CG 4.42Å; F224-R307 WeakPolarHBondContact CA-O 3.49Å; F224-R307 PolarHBondContact N-O 3.2Å
225	C	98.6	Very high	98	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	14%	0.137	C	C	.	.			trans	-91.5	9.8	-173.9	-47	0	0	0	0	114.5	Y98 T223 C233 H308 I310 H318 R322	Y98-C225 PolarHBondContact OH-N 2.87Å; T223-C225 VanDerWaalsContact C-N 3.32Å; T223-C225 PolarHBondContact O-N 3.41Å; C225-C233 HydrophobicContact CB-CB 4.04Å; C225-C233 WeakPolarHBondContact CB-SG 3.29Å; C225-C233 WeakPolarHBondContact SG-CB 3.27Å; C225-C233 CovalentContact SG-SG 2.03Å; C225-C233 PolarHBondContact SG-SG 3.31Å; C225-H308 WeakPolarHBondContact CB-O 3.47Å; C225-H308 PolarHBondContact N-O 2.94Å; C225-H308 PolarHBondContact SG-O 3.17Å; C225-I310 HydrophobicContact CB-CG1 3.77Å; C225-H318 WeakPolarHBondContact CB-NE2 3.48Å; C225-H318 PolarHBondContact O-NE2 3.1Å; C225-R322 WeakPolarHBondContact O-CD 3.42Å; C225-R322 PolarHBondContact O-NE 3.03Å
226	D	97.9	Very high	98.1	Very high	75 Å²	75	23.1 Å²	23.1	40%	0.401	13%	0.132	S	C	.	.			trans	-121	35.4	-179.7	-166.8	24.4	0	0	0	111.8	Y98 H308 R322	Y98-D226 WeakPolarHBondContact OH-CA 3.36Å; Y98-D226 PolarHBondContact OH-N 3.49Å; D226-H308 HydrophobicContact CB-CB 3.73Å; D226-H308 WeakPolarHBondContact CB-ND1 3.44Å; D226-R322 VanDerWaalsContact C-NH2 3.28Å; D226-R322 IonicContact OD1-CZ 3.07Å; D226-R322 IonicContact OD1-NH1 2.76Å; D226-R322 PolarHBondContact OD1-NH1 2.9Å; D226-R322 IonicContact OD1-NH2 3.91Å; D226-R322 PolarHBondContact OD1-NH2 3.44Å
227	D	97.8	Very high	98.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.			trans	-63.9	133.8	175.7	-172.1	-87.4	0	0	0	110.7	Y98 H100 T229 I230 L234 R322	Y98-D227 HydrophobicContact CD1-CB 3.99Å; Y98-D227 WeakPolarHBondContact CD1-OD2 3.37Å; Y98-D227 HydrophobicContact CE1-CB 3.78Å; H100-D227 IonicContact CD2-OD2 3.25Å; H100-D227 IonicContact CE1-OD1 2.67Å; H100-D227 IonicContact CE1-OD2 3.64Å; H100-D227 IonicContact NE2-OD1 3.18Å; H100-D227 IonicContact NE2-OD2 2.98Å; H100-D227 PolarHBondContact NE2-OD2 3.09Å; D227-T229 PolarHBondContact O-N 2.8Å; D227-T229 VanDerWaalsContact O-N 3.09Å; D227-T229 WeakPolarHBondContact OD1-CA 3.4Å; D227-T229 PolarHBondContact OD1-N 2.67Å; D227-T229 PolarHBondContact OD1-OG1 3.33Å; D227-I230 HydrophobicContact CB-CB 4.03Å; D227-I230 WeakPolarHBondContact CB-O 3.47Å; D227-I230 PolarHBondContact OD1-N 2.82Å; D227-L234 HydrophobicContact CB-CD1 4.26Å; D227-R322 PolarHBondContact O-NH2 2.72Å
228	P	95.9	Very high	98.2	Very high	98 Å²	98	17.5 Å²	17.5	64%	0.636	10%	0.097	S	C	*	.	S	Bend	trans	-66.8	-11.4	-176.4	27	-36.4	0	0	0	114.2	M326	P228-M326 WeakPolarHBondContact O-CE 3.4Å
229	T	96.1	Very high	98.2	Very high	56 Å²	56	15.6 Å²	15.6	34%	0.344	9%	0.088	S	C	.	.	S	Bend	trans	-125.6	-35.9	-176.2	53.1	0	0	0	0	113.1	F90 D227	F90-T229 VanDerWaalsContact CE2-OG1 3.25Å; F90-T229 WeakPolarHBondContact CE2-OG1 3.38Å; F90-T229 HydrophobicContact CZ-CG2 4.35Å; D227-T229 PolarHBondContact O-N 2.8Å; D227-T229 VanDerWaalsContact O-N 3.09Å; D227-T229 WeakPolarHBondContact OD1-CA 3.4Å; D227-T229 PolarHBondContact OD1-N 2.67Å; D227-T229 PolarHBondContact OD1-OG1 3.33Å
230	I	98.1	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.			trans	-94.8	123.4	177.8	-65.1	167.6	0	0	0	109.2	Y51 P89 F90 F95 D227 T232 L234	Y51-I230 HydrophobicContact CD2-CG2 4.43Å; Y51-I230 HydrophobicContact CE2-CD1 4.32Å; Y51-I230 HydrophobicContact CE2-CG2 4.4Å; P89-I230 HydrophobicContact CG-CG1 4.04Å; F90-I230 HydrophobicContact CD2-CD1 4.18Å; F90-I230 HydrophobicContact CD2-CG1 4.3Å; F90-I230 HydrophobicContact CE2-CD1 4.28Å; F90-I230 HydrophobicContact CE2-CG1 4.21Å; F95-I230 HydrophobicContact CD2-CD1 3.62Å; F95-I230 HydrophobicContact CE2-CD1 4.23Å; D227-I230 HydrophobicContact CB-CB 4.03Å; D227-I230 WeakPolarHBondContact CB-O 3.47Å; D227-I230 PolarHBondContact OD1-N 2.82Å; I230-T232 VanDerWaalsContact C-N 3.26Å; I230-T232 HydrophobicContact CG2-CG2 3.95Å; I230-T232 PolarHBondContact O-N 2.79Å; I230-L234 HydrophobicContact CB-CD2 3.94Å; I230-L234 HydrophobicContact CD1-CD2 3.63Å; I230-L234 HydrophobicContact CG1-CD2 4.39Å; I230-L234 HydrophobicContact CG2-CD2 3.54Å
231	T	97.7	Very high	98.3	Very high	14 Å²	14	15.7 Å²	15.7	9%	0.086	9%	0.087	C	C	.	.	S	Bend	trans	-83.5	2.5	-170.8	61.7	0	0	0	0	114.2	T319 R322 Q323 M326	T231-T319 VanDerWaalsContact O-CA 3.25Å; T231-T319 WeakPolarHBondContact O-CA 3.44Å; T231-T319 WeakPolarHBondContact O-CG2 3.3Å; T231-R322 HydrophobicContact CG2-CB 4.43Å; T231-R322 WeakPolarHBondContact O-CD 3.49Å; T231-Q323 HydrophobicContact CG2-CG 3.67Å; T231-Q323 WeakPolarHBondContact OG1-CG 3.35Å; T231-Q323 PolarHBondContact OG1-NE2 3.41Å; T231-M326 HydrophobicContact CG2-CE 4.08Å; T231-M326 HydrophobicContact CG2-SD 3.78Å
232	T	98.1	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-128	179.9	-176.4	-164.5	0	0	0	0	110.9	Y48 F49 Y51 I230 T319	Y48-T232 HydrophobicContact CE1-CG2 4.27Å; F49-T232 PolarHBondContact O-OG1 3.14Å; Y51-T232 HydrophobicContact CD2-CG2 4.27Å; Y51-T232 HydrophobicContact CG-CG2 3.99Å; I230-T232 VanDerWaalsContact C-N 3.26Å; I230-T232 HydrophobicContact CG2-CG2 3.95Å; I230-T232 PolarHBondContact O-N 2.79Å; T232-T319 WeakPolarHBondContact CB-OG1 3.37Å; T232-T319 PolarHBondContact OG1-OG1 3.15Å
233	C	98.8	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.			trans	-76.3	138.1	178.6	-55.5	0	0	0	0	111.5	R52 T223 C225 I315	R52-C233 PolarHBondContact N-O 3.45Å; T223-C233 WeakPolarHBondContact O-CB 3.31Å; C225-C233 HydrophobicContact CB-CB 4.04Å; C225-C233 WeakPolarHBondContact CB-SG 3.29Å; C225-C233 WeakPolarHBondContact SG-CB 3.27Å; C225-C233 CovalentContact SG-SG 2.03Å; C225-C233 PolarHBondContact SG-SG 3.31Å; C233-I315 HydrophobicContact CB-CD1 4.37Å
234	L	98.8	Very high	98.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-88	-20.3	-177.6	-54.3	-179.5	0	0	0	113.8	Y51 A55 N96 D97 Y98 T223 F224 D227 I230	Y51-L234 HydrophobicContact CD1-CD2 4.14Å; Y51-L234 HydrophobicContact CE1-CD2 3.8Å; A55-L234 VanDerWaalsContact CB-O 3.24Å; A55-L234 WeakPolarHBondContact CB-O 3.31Å; N96-L234 PolarHBondContact ND2-O 3.1Å; D97-L234 WeakPolarHBondContact O-CD1 3.39Å; Y98-L234 HydrophobicContact CD1-CD1 3.92Å; Y98-L234 HydrophobicContact CE1-CD1 4.27Å; T223-L234 PolarHBondContact O-N 2.7Å; F224-L234 HydrophobicContact CB-CB 3.95Å; F224-L234 HydrophobicContact CB-CD1 4.21Å; F224-L234 HydrophobicContact CB-CG 4.18Å; F224-L234 PolarHBondContact O-N 3.45Å; D227-L234 HydrophobicContact CB-CD1 4.26Å; I230-L234 HydrophobicContact CB-CD2 3.94Å; I230-L234 HydrophobicContact CD1-CD2 3.63Å; I230-L234 HydrophobicContact CG1-CD2 4.39Å; I230-L234 HydrophobicContact CG2-CD2 3.54Å
235	A	98.8	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	163.3	-179.4	0	0	0	0	0	111.7	D56 N96 G222 T223 F224 Y240	D56-A235 VanDerWaalsContact OD1-CA 3.31Å; D56-A235 WeakPolarHBondContact OD1-CA 3.45Å; D56-A235 WeakPolarHBondContact OD1-CB 3.45Å; N96-A235 WeakPolarHBondContact ND2-CB 3.47Å; G222-A235 CarbonylContact C-O 3.56Å; G222-A235 WeakPolarHBondContact CA-O 3.21Å; T223-A235 HydrophobicContact CG2-CB 4.02Å; T223-A235 PolarHBondContact N-O 3.25Å; T223-A235 PolarHBondContact O-N 3Å; F224-A235 HydrophobicContact CD2-CB 3.98Å; F224-A235 HydrophobicContact CE2-CB 4.41Å; A235-Y240 HydrophobicContact CB-CD2 4.02Å; A235-Y240 HydrophobicContact CB-CG 4.35Å
236	D	98.9	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	143	159.6	-69.2	-80	0	0	0	110.7	R52 H53 D56 E190 S239 Y240	R52-D236 VanDerWaalsContact CD-CG 3.46Å; R52-D236 WeakPolarHBondContact CD-OD1 3.49Å; R52-D236 WeakPolarHBondContact CD-OD2 3.25Å; R52-D236 VanDerWaalsContact CG-OD2 3.25Å; R52-D236 WeakPolarHBondContact CG-OD2 3.35Å; R52-D236 IonicContact CZ-OD1 3.49Å; R52-D236 IonicContact NE-OD1 3.49Å; R52-D236 PolarHBondContact NE-OD1 3.38Å; R52-D236 IonicContact NE-OD2 3.99Å; R52-D236 PolarHBondContact NE-OD2 2.81Å; R52-D236 IonicContact NH2-OD1 2.72Å; H53-D236 IonicContact CD2-OD2 3.83Å; H53-D236 PolarHBondContact CD2-OD2 3.46Å; H53-D236 IonicContact NE2-OD2 3.56Å; D56-D236 PolarHBondContact OD1-N 3.37Å; D56-D236 WeakPolarHBondContact OD2-CB 3.45Å; D56-D236 PolarHBondContact OD2-N 3.15Å; E190-D236 VanDerWaalsContact CD-CB 3.49Å; E190-D236 HydrophobicContact CG-CB 3.57Å; E190-D236 VanDerWaalsContact OE2-CB 3.3Å; E190-D236 WeakPolarHBondContact OE2-CB 3.22Å; D236-S239 PolarHBondContact O-N 2.78Å; D236-Y240 VanDerWaalsContact O-CB 3.27Å; D236-Y240 WeakPolarHBondContact O-CB 3.3Å; D236-Y240 PolarHBondContact O-N 3.35Å
237	L	98.8	Very high	97.8	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-54.2	-172	178.6	60.9	0	0	0	111.8	Y221 T223 S239 Y240 D241 T267 L269 P306	Y221-L237 WeakPolarHBondContact O-CB 3.16Å; Y221-L237 PolarHBondContact O-N 3.33Å; T223-L237 HydrophobicContact CG2-CD1 4.45Å; L237-S239 VanDerWaalsContact C-N 3.35Å; L237-S239 PolarHBondContact O-N 3.4Å; L237-Y240 PolarHBondContact O-N 3.06Å; L237-D241 PolarHBondContact O-N 3.14Å; L237-T267 HydrophobicContact CD2-CG2 4.16Å; L237-T267 HydrophobicContact CG-CG2 4.15Å; L237-L269 HydrophobicContact CD2-CB 4.04Å; L237-L269 HydrophobicContact CD2-CD1 4.06Å; L237-L269 HydrophobicContact CD2-CG 4.05Å; L237-P306 HydrophobicContact CD1-CB 3.43Å; L237-P306 VanDerWaalsContact CD1-CB 3.43Å; L237-P306 HydrophobicContact CD1-CG 3.81Å
238	Y	98.9	Very high	97.6	Very high	3 Å²	3	15 Å²	15	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-42.3	178.8	160.3	-95.6	0	0	0	111.5	E190 T211 A213 D241 W242 V263 T267 V272	E190-Y238 HydrophobicContact CB-CD1 4.19Å; E190-Y238 WeakPolarHBondContact OE2-CB 3.44Å; T211-Y238 PolarHBondContact OG1-OH 3.02Å; A213-Y238 VanDerWaalsContact CA-CG 3.45Å; A213-Y238 HydrophobicContact CB-CD1 3.54Å; A213-Y238 HydrophobicContact CB-CD2 4.41Å; A213-Y238 HydrophobicContact CB-CE1 4.36Å; A213-Y238 HydrophobicContact CB-CG 3.56Å; Y238-D241 PolarHBondContact O-N 3.31Å; Y238-W242 AromaticContact CE1-CD1 3.79Å; Y238-W242 AromaticContact CZ-CD1 3.99Å; Y238-W242 PolarHBondContact O-N 3.06Å; Y238-W242 VanDerWaalsContact O-N 3.14Å; Y238-V263 HydrophobicContact CD2-CG1 3.45Å; Y238-V263 VanDerWaalsContact CD2-CG1 3.45Å; Y238-V263 HydrophobicContact CE2-CG1 3.56Å; Y238-T267 WeakPolarHBondContact CA-OG1 3.42Å; Y238-V272 HydrophobicContact CD2-CG1 4.06Å; Y238-V272 HydrophobicContact CD2-CG2 3.84Å; Y238-V272 HydrophobicContact CE2-CG1 3.8Å; Y238-V272 HydrophobicContact CE2-CG2 4.43Å
239	S	98.9	Very high	97.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.6	-52.8	176.9	-66.7	0	0	0	0	112.1	D56 Y147 E190 D236 L237 D241 W242 I243	D56-S239 WeakPolarHBondContact OD2-CB 3.31Å; D56-S239 PolarHBondContact OD2-OG 3.14Å; Y147-S239 WeakPolarHBondContact OH-CB 3.46Å; Y147-S239 PolarHBondContact OH-OG 3.04Å; E190-S239 WeakPolarHBondContact CB-OG 3.17Å; E190-S239 VanDerWaalsContact CG-OG 3.31Å; E190-S239 WeakPolarHBondContact CG-OG 3.14Å; E190-S239 PolarHBondContact OE2-N 2.8Å; E190-S239 PolarHBondContact OE2-OG 3.4Å; D236-S239 PolarHBondContact O-N 2.78Å; L237-S239 VanDerWaalsContact C-N 3.35Å; L237-S239 PolarHBondContact O-N 3.4Å; S239-D241 VanDerWaalsContact C-N 3.33Å; S239-D241 PolarHBondContact O-N 2.86Å; S239-W242 VanDerWaalsContact CA-CD1 3.49Å; S239-W242 VanDerWaalsContact O-CD1 3.24Å; S239-W242 PolarHBondContact O-N 3.31Å; S239-W242 PolarHBondContact O-NE1 3.42Å; S239-I243 WeakPolarHBondContact O-CB 3.33Å; S239-I243 VanDerWaalsContact O-CD1 3.3Å; S239-I243 WeakPolarHBondContact O-CD1 3.13Å; S239-I243 WeakPolarHBondContact O-CG1 3.41Å; S239-I243 PolarHBondContact O-N 3.14Å
240	Y	98.8	Very high	97.4	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-59.2	-44.4	179.3	-174	-92	0	0	0	111.8	N96 D97 F224 A235 D236 L237 W242 I243 V244 M304 P306	N96-Y240 WeakPolarHBondContact O-CD2 3.37Å; N96-Y240 WeakPolarHBondContact O-CE2 3.44Å; N96-Y240 WeakPolarHBondContact OD1-CD2 3.38Å; D97-Y240 HydrophobicContact CB-CE2 4.03Å; F224-Y240 HydrophobicContact CD2-CD2 4.45Å; F224-Y240 HydrophobicContact CD2-CE2 4.47Å; F224-Y240 AromaticContact CE2-CD1 3.94Å; F224-Y240 HydrophobicContact CE2-CD1 3.94Å; F224-Y240 AromaticContact CE2-CD2 3.61Å; F224-Y240 HydrophobicContact CE2-CD2 3.61Å; F224-Y240 AromaticContact CE2-CE1 3.79Å; F224-Y240 HydrophobicContact CE2-CE1 3.79Å; F224-Y240 AromaticContact CE2-CE2 3.48Å; F224-Y240 HydrophobicContact CE2-CE2 3.48Å; F224-Y240 VanDerWaalsContact CE2-CE2 3.48Å; F224-Y240 AromaticContact CE2-CG 3.82Å; F224-Y240 HydrophobicContact CE2-CG 3.82Å; F224-Y240 AromaticContact CE2-CZ 3.55Å; F224-Y240 HydrophobicContact CZ-CD1 4.25Å; F224-Y240 HydrophobicContact CZ-CD2 4.46Å; F224-Y240 AromaticContact CZ-CE1 3.73Å; F224-Y240 HydrophobicContact CZ-CE1 3.73Å; F224-Y240 AromaticContact CZ-CE2 4Å; F224-Y240 HydrophobicContact CZ-CE2 4Å; F224-Y240 AromaticContact CZ-CZ 3.57Å; A235-Y240 HydrophobicContact CB-CD2 4.02Å; A235-Y240 HydrophobicContact CB-CG 4.35Å; D236-Y240 VanDerWaalsContact O-CB 3.27Å; D236-Y240 WeakPolarHBondContact O-CB 3.3Å; D236-Y240 PolarHBondContact O-N 3.35Å; L237-Y240 PolarHBondContact O-N 3.06Å; Y240-W242 PolarHBondContact O-N 3.38Å; Y240-I243 PolarHBondContact O-N 2.85Å; Y240-V244 HydrophobicContact CD1-CG2 3.94Å; Y240-V244 HydrophobicContact CD2-CG2 4.26Å; Y240-V244 HydrophobicContact CE1-CB 4.4Å; Y240-V244 HydrophobicContact CE1-CG2 3.54Å; Y240-V244 HydrophobicContact CE2-CG2 3.88Å; Y240-V244 HydrophobicContact CG-CG2 4.31Å; Y240-V244 WeakPolarHBondContact O-CB 3.23Å; Y240-V244 WeakPolarHBondContact O-CG2 3.25Å; Y240-V244 PolarHBondContact O-N 3.12Å; Y240-M304 WeakPolarHBondContact CE1-O 3.43Å; Y240-M304 PolarHBondContact OH-N 3.46Å; Y240-M304 VanDerWaalsContact OH-N 3.14Å; Y240-M304 PolarHBondContact OH-O 2.77Å; Y240-P306 HydrophobicContact CD1-CG 3.61Å; Y240-P306 HydrophobicContact CE1-CG 3.94Å
241	D	98.7	Very high	97.3	Very high	14 Å²	14	14.9 Å²	14.9	8%	0.075	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-46.1	-178.6	-71.9	-28.4	0	0	0	112.4	L237 Y238 S239 D245 V263 E266 T267 P306	L237-D241 PolarHBondContact O-N 3.14Å; Y238-D241 PolarHBondContact O-N 3.31Å; S239-D241 VanDerWaalsContact C-N 3.33Å; S239-D241 PolarHBondContact O-N 2.86Å; D241-D245 WeakPolarHBondContact O-CB 3.26Å; D241-D245 PolarHBondContact O-N 2.92Å; D241-V263 HydrophobicContact CB-CG1 4.14Å; D241-V263 HydrophobicContact CB-CG2 4.5Å; D241-E266 HydrophobicContact CB-CB 4.35Å; D241-E266 VanDerWaalsContact OD2-C 3.22Å; D241-T267 VanDerWaalsContact OD2-CA 3.29Å; D241-T267 WeakPolarHBondContact OD2-CA 3.41Å; D241-T267 PolarHBondContact OD2-N 3.49Å; D241-T267 PolarHBondContact OD2-OG1 3.28Å; D241-P306 WeakPolarHBondContact OD1-CG 3.46Å
242	W	98.7	Very high	97.2	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	8%	0.084	C	C	.	.	H	α-helix	trans	-73.2	-36	178.7	81.6	-104.8	0	0	0	112.1	A60 F145 Y147 Y188 Y238 S239 Y240 D245 S246 V263	A60-W242 HydrophobicContact CB-CH2 3.76Å; A60-W242 HydrophobicContact CB-CZ2 4.11Å; F145-W242 AromaticContact CE1-CH2 3.9Å; F145-W242 HydrophobicContact CE1-CH2 3.9Å; F145-W242 HydrophobicContact CE1-CZ3 4.22Å; F145-W242 AromaticContact CZ-CH2 3.75Å; F145-W242 HydrophobicContact CZ-CH2 3.75Å; F145-W242 HydrophobicContact CZ-CZ2 4.27Å; F145-W242 AromaticContact CZ-CZ3 3.9Å; F145-W242 HydrophobicContact CZ-CZ3 3.9Å; Y147-W242 HydrophobicContact CD1-CH2 4.44Å; Y147-W242 AromaticContact CD1-CZ2 3.77Å; Y147-W242 HydrophobicContact CD1-CZ2 3.77Å; Y147-W242 AromaticContact CD2-CZ2 3.63Å; Y147-W242 HydrophobicContact CD2-CZ2 3.63Å; Y147-W242 AromaticContact CD2-NE1 3.88Å; Y147-W242 AromaticContact CE1-CZ2 3.96Å; Y147-W242 HydrophobicContact CE1-CZ2 3.96Å; Y147-W242 AromaticContact CE2-CZ2 3.84Å; Y147-W242 HydrophobicContact CE2-CZ2 3.84Å; Y147-W242 AromaticContact CE2-NE1 3.55Å; Y147-W242 HydrophobicContact CG-CH2 4.34Å; Y147-W242 AromaticContact CG-CZ2 3.59Å; Y147-W242 HydrophobicContact CG-CZ2 3.59Å; Y147-W242 AromaticContact CZ-CZ2 3.99Å; Y188-W242 HydrophobicContact CD2-CB 4.47Å; Y188-W242 AromaticContact CD2-CD2 3.64Å; Y188-W242 HydrophobicContact CD2-CD2 3.64Å; Y188-W242 AromaticContact CD2-CE2 3.96Å; Y188-W242 AromaticContact CD2-CE3 3.93Å; Y188-W242 HydrophobicContact CD2-CE3 3.93Å; Y188-W242 AromaticContact CD2-CG 3.86Å; Y188-W242 HydrophobicContact CD2-CG 3.86Å; Y188-W242 HydrophobicContact CE2-CB 4.37Å; Y188-W242 HydrophobicContact CE2-CD2 4.02Å; Y188-W242 AromaticContact CE2-CE3 3.97Å; Y188-W242 HydrophobicContact CE2-CE3 3.97Å; Y188-W242 HydrophobicContact CE2-CG 4.18Å; Y238-W242 AromaticContact CE1-CD1 3.79Å; Y238-W242 AromaticContact CZ-CD1 3.99Å; Y238-W242 PolarHBondContact O-N 3.06Å; Y238-W242 VanDerWaalsContact O-N 3.14Å; S239-W242 VanDerWaalsContact CA-CD1 3.49Å; S239-W242 VanDerWaalsContact O-CD1 3.24Å; S239-W242 PolarHBondContact O-N 3.31Å; S239-W242 PolarHBondContact O-NE1 3.42Å; Y240-W242 PolarHBondContact O-N 3.38Å; W242-D245 PolarHBondContact O-N 3.17Å; W242-S246 WeakPolarHBondContact O-CB 3.18Å; W242-S246 PolarHBondContact O-N 3.41Å; W242-S246 PolarHBondContact O-OG 3.44Å; W242-V263 HydrophobicContact CB-CG1 4.3Å; W242-V263 HydrophobicContact CB-CG2 3.69Å
243	I	98.4	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-47.2	178.9	-68.1	164.9	0	0	0	109.7	D56 H59 A60 V63 S239 Y240 S246 Q247	D56-I243 HydrophobicContact CB-CD1 4.15Å; D56-I243 WeakPolarHBondContact O-CD1 3.29Å; H59-I243 HydrophobicContact CB-CG2 4.23Å; H59-I243 WeakPolarHBondContact ND1-CG2 3.34Å; A60-I243 HydrophobicContact CB-CD1 4.02Å; A60-I243 HydrophobicContact CB-CG1 4.14Å; V63-I243 HydrophobicContact CG2-CG2 3.73Å; S239-I243 WeakPolarHBondContact O-CB 3.33Å; S239-I243 VanDerWaalsContact O-CD1 3.3Å; S239-I243 WeakPolarHBondContact O-CD1 3.13Å; S239-I243 WeakPolarHBondContact O-CG1 3.41Å; S239-I243 PolarHBondContact O-N 3.14Å; Y240-I243 PolarHBondContact O-N 2.85Å; I243-S246 PolarHBondContact O-N 3.13Å; I243-Q247 WeakPolarHBondContact O-CB 3.43Å; I243-Q247 PolarHBondContact O-N 3.1Å
244	V	96.6	Very high	97	Very high	22 Å²	22	24.1 Å²	24.1	13%	0.133	12%	0.121	C	C	.	.	H	α-helix	trans	-66.4	-42.4	178.3	164.8	0	0	0	0	111.6	Y240 S246 Q247 T248 P303	Y240-V244 HydrophobicContact CD1-CG2 3.94Å; Y240-V244 HydrophobicContact CD2-CG2 4.26Å; Y240-V244 HydrophobicContact CE1-CB 4.4Å; Y240-V244 HydrophobicContact CE1-CG2 3.54Å; Y240-V244 HydrophobicContact CE2-CG2 3.88Å; Y240-V244 HydrophobicContact CG-CG2 4.31Å; Y240-V244 WeakPolarHBondContact O-CB 3.23Å; Y240-V244 WeakPolarHBondContact O-CG2 3.25Å; Y240-V244 PolarHBondContact O-N 3.12Å; V244-S246 VanDerWaalsContact C-N 3.26Å; V244-S246 PolarHBondContact O-N 3.26Å; V244-Q247 WeakPolarHBondContact O-CB 3.3Å; V244-Q247 PolarHBondContact O-N 3.36Å; V244-Q247 VanDerWaalsContact O-N 3.1Å; V244-T248 HydrophobicContact CG1-CG2 4.32Å; V244-T248 PolarHBondContact O-N 3.28Å; V244-T248 PolarHBondContact O-OG1 3.02Å; V244-T248 VanDerWaalsContact O-OG1 3.1Å; V244-P303 HydrophobicContact CB-CB 4.26Å; V244-P303 HydrophobicContact CG1-CB 3.36Å; V244-P303 HydrophobicContact CG1-CG 3.72Å; V244-P303 HydrophobicContact CG2-CB 3.83Å; V244-P303 HydrophobicContact CG2-CG 4.42Å
245	D	96.6	Very high	97	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.032	13%	0.128	C	C	.	.	H	α-helix	trans	-55.2	-46.1	173.4	179.7	-93	0	0	0	110.6	D241 W242 Q247 H249 R254 Q259	D241-D245 WeakPolarHBondContact O-CB 3.26Å; D241-D245 PolarHBondContact O-N 2.92Å; W242-D245 PolarHBondContact O-N 3.17Å; D245-Q247 PolarHBondContact O-N 2.76Å; D245-H249 WeakPolarHBondContact O-CB 3.43Å; D245-H249 PolarHBondContact O-N 2.62Å; D245-H249 PolarHBondContact O-ND1 3.07Å; D245-H249 IonicContact OD2-CE1 3.56Å; D245-H249 PolarHBondContact OD2-CE1 2.81Å; D245-H249 IonicContact OD2-ND1 3.94Å; D245-H249 PolarHBondContact OD2-ND1 2.83Å; D245-R254 IonicContact OD1-NE 2.79Å; D245-R254 IonicContact OD2-CZ 3.62Å; D245-R254 IonicContact OD2-NE 3.69Å; D245-R254 PolarHBondContact OD2-NE 3.2Å; D245-R254 IonicContact OD2-NH2 2.73Å; D245-R254 PolarHBondContact OD2-NH2 3.12Å; D245-Q259 WeakPolarHBondContact OD1-CB 3.34Å; D245-Q259 VanDerWaalsContact OD1-CG 3.27Å; D245-Q259 WeakPolarHBondContact OD1-CG 3.4Å; D245-Q259 PolarHBondContact OD1-NE2 3.17Å
246	S	96.7	Very high	97	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.3	-34.7	177.4	-75.5	0	0	0	0	113.4	K67 W242 I243 V244 Q259 Q289	K67-S246 WeakPolarHBondContact CE-O 3.3Å; K67-S246 PolarHBondContact NZ-O 3.44Å; W242-S246 WeakPolarHBondContact O-CB 3.18Å; W242-S246 PolarHBondContact O-N 3.41Å; W242-S246 PolarHBondContact O-OG 3.44Å; I243-S246 PolarHBondContact O-N 3.13Å; V244-S246 VanDerWaalsContact C-N 3.26Å; V244-S246 PolarHBondContact O-N 3.26Å; S246-Q259 PolarHBondContact OG-NE2 2.74Å; S246-Q289 VanDerWaalsContact CB-OE1 3.24Å; S246-Q289 PolarHBondContact OG-OE1 3.46Å
247	Q	94.6	Very high	97	Very high	19 Å²	19	26.9 Å²	26.9	9%	0.089	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-49.9	177.1	-174.5	-175.3	-6.5	0	0	111	H59 V63 K67 I243 V244 D245	H59-Q247 PolarHBondContact NE2-OE1 3.19Å; H59-Q247 VanDerWaalsContact NE2-OE1 3.11Å; V63-Q247 HydrophobicContact CG2-CB 3.9Å; V63-Q247 HydrophobicContact CG2-CG 4.24Å; K67-Q247 PolarHBondContact NZ-O 3.46Å; I243-Q247 WeakPolarHBondContact O-CB 3.43Å; I243-Q247 PolarHBondContact O-N 3.1Å; V244-Q247 WeakPolarHBondContact O-CB 3.3Å; V244-Q247 PolarHBondContact O-N 3.36Å; V244-Q247 VanDerWaalsContact O-N 3.1Å; D245-Q247 PolarHBondContact O-N 2.76Å
248	T	93.4	Very high	97	Very high	75 Å²	75	30.5 Å²	30.5	46%	0.46	15%	0.153	S	C	.	.	H	α-helix	trans	-87.8	-14.3	-166.9	59.6	0	0	0	0	115.2	V244 P303	V244-T248 HydrophobicContact CG1-CG2 4.32Å; V244-T248 PolarHBondContact O-N 3.28Å; V244-T248 PolarHBondContact O-OG1 3.02Å; V244-T248 VanDerWaalsContact O-OG1 3.1Å; T248-P303 HydrophobicContact CG2-CG 3.51Å
249	H	93.7	Very high	97	Very high	63 Å²	63	30.5 Å²	30.5	29%	0.292	15%	0.153	S	C	.	.	S	Bend	trans	-103.6	155.4	-177.4	-66	89.3	0	0	0	113.4	K67 D245 L251 R254	K67-H249 PolarHBondContact NZ-O 3.46Å; D245-H249 WeakPolarHBondContact O-CB 3.43Å; D245-H249 PolarHBondContact O-N 2.62Å; D245-H249 PolarHBondContact O-ND1 3.07Å; D245-H249 IonicContact OD2-CE1 3.56Å; D245-H249 PolarHBondContact OD2-CE1 2.81Å; D245-H249 IonicContact OD2-ND1 3.94Å; D245-H249 PolarHBondContact OD2-ND1 2.83Å; H249-L251 PolarHBondContact O-N 3.07Å; H249-R254 HydrophobicContact CB-CB 4.49Å; H249-R254 HydrophobicContact CB-CG 4.43Å
250	H	93.8	Very high	97	Very high	88 Å²	88	32 Å²	32	41%	0.407	16%	0.159	S	C	.	.			trans	-73.7	105.8	164.4	-57.5	125.1	0	0	0	108.7	T252 Q253 R254 D293	H250-T252 PolarHBondContact O-N 3.41Å; H250-Q253 HydrophobicContact CB-CB 4.43Å; H250-Q253 HydrophobicContact CB-CG 4.42Å; H250-Q253 PolarHBondContact O-N 3.12Å; H250-R254 PolarHBondContact O-N 2.95Å; H250-D293 IonicContact CD2-OD1 3.14Å
251	L	95.7	Very high	97	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.8	-171.9	-58.2	-172.3	0	0	0	113	K67 H249 Q253 R254 V285 S286 Q289	K67-L251 HydrophobicContact CB-CD1 4.23Å; K67-L251 HydrophobicContact CD-CD1 3.84Å; K67-L251 HydrophobicContact CD-CG 4.11Å; K67-L251 HydrophobicContact CG-CD1 3.72Å; H249-L251 PolarHBondContact O-N 3.07Å; L251-Q253 PolarHBondContact O-N 3.09Å; L251-R254 PolarHBondContact O-N 3.04Å; L251-V285 HydrophobicContact CB-CB 4.27Å; L251-V285 HydrophobicContact CD1-CG1 4.15Å; L251-V285 HydrophobicContact CD2-CB 4.13Å; L251-V285 HydrophobicContact CD2-CG1 3.92Å; L251-V285 HydrophobicContact CG-CG1 4.43Å; L251-S286 VanDerWaalsContact C-CB 3.44Å; L251-S286 WeakPolarHBondContact O-CB 3.48Å; L251-S286 PolarHBondContact O-N 2.83Å; L251-S286 VanDerWaalsContact O-N 3.12Å; L251-S286 PolarHBondContact O-OG 3.25Å; L251-Q289 HydrophobicContact CD1-CB 3.91Å
252	T	95.7	Very high	97	Very high	35 Å²	35	40.1 Å²	40.1	22%	0.215	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.7	173.2	51.9	0	0	0	0	113	H250 H284 S286	H250-T252 PolarHBondContact O-N 3.41Å; T252-H284 PolarHBondContact O-CE1 2.83Å; T252-H284 PolarHBondContact O-ND1 3.12Å; T252-H284 VanDerWaalsContact O-ND1 3.13Å; T252-S286 WeakPolarHBondContact CA-OG 3.35Å
253	Q	96	Very high	97	Very high	138 Å²	138	40.3 Å²	40.3	65%	0.645	20%	0.196	S	C	*	.	S	Bend	trans	-122.2	1.6	-180	-57.5	177.4	5.8	0	0	112.3	H250 L251 Q258	H250-Q253 HydrophobicContact CB-CB 4.43Å; H250-Q253 HydrophobicContact CB-CG 4.42Å; H250-Q253 PolarHBondContact O-N 3.12Å; L251-Q253 PolarHBondContact O-N 3.09Å; Q253-Q258 PolarHBondContact O-OE1 2.85Å
254	R	96.8	Very high	97	Very high	34 Å²	34	44.5 Å²	44.5	13%	0.128	21%	0.214	C	C	.	.			trans	-108.8	117.8	-179.1	-168.1	69.5	166.7	171.7	-3.6	108.6	D245 H249 H250 L251 E262 H284 V285	D245-R254 IonicContact OD1-NE 2.79Å; D245-R254 IonicContact OD2-CZ 3.62Å; D245-R254 IonicContact OD2-NE 3.69Å; D245-R254 PolarHBondContact OD2-NE 3.2Å; D245-R254 IonicContact OD2-NH2 2.73Å; D245-R254 PolarHBondContact OD2-NH2 3.12Å; H249-R254 HydrophobicContact CB-CB 4.49Å; H249-R254 HydrophobicContact CB-CG 4.43Å; H250-R254 PolarHBondContact O-N 2.95Å; L251-R254 PolarHBondContact O-N 3.04Å; R254-E262 IonicContact NH2-OE2 3.53Å; R254-H284 CarbonylContact O-C 3.59Å; R254-H284 WeakPolarHBondContact O-CA 3.06Å; R254-V285 HydrophobicContact CB-CG2 4.35Å; R254-V285 HydrophobicContact CG-CG2 4.14Å; R254-V285 WeakPolarHBondContact O-CG2 3.06Å; R254-V285 PolarHBondContact O-N 2.97Å
255	T	98.6	Very high	97	Very high	24 Å²	24	50.1 Å²	50.1	15%	0.147	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-82.6	157.2	174.7	72	0	0	0	0	111.7	D257 Q258 Q259 G281 L283	T255-D257 PolarHBondContact O-N 2.78Å; T255-Q258 PolarHBondContact O-N 3Å; T255-Q258 VanDerWaalsContact O-N 3.09Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.41Å; T255-Q258 PolarHBondContact OG1-N 3.36Å; T255-Q258 VanDerWaalsContact OG1-N 3.1Å; T255-Q259 PolarHBondContact O-N 3.1Å; T255-G281 WeakPolarHBondContact CB-O 3.49Å; T255-L283 CarbonylContact C-O 3.54Å; T255-L283 VanDerWaalsContact CA-O 3.24Å; T255-L283 WeakPolarHBondContact CA-O 3.45Å; T255-L283 WeakPolarHBondContact CB-O 3.42Å
256	L	98.8	Very high	97.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-54.8	-37.6	171.7	-71.6	173.5	0	0	0	111.7	V186 Y188 Y209 Y260 M280 L283 V285 F288	V186-L256 HydrophobicContact CG1-CD2 4.36Å; V186-L256 HydrophobicContact CG2-CD1 3.76Å; V186-L256 HydrophobicContact CG2-CD2 4.17Å; Y188-L256 WeakPolarHBondContact OH-CD2 3.46Å; Y209-L256 HydrophobicContact CD1-CD1 4.11Å; Y209-L256 HydrophobicContact CD2-CD1 4.49Å; Y209-L256 HydrophobicContact CE1-CB 4.11Å; Y209-L256 HydrophobicContact CE1-CD1 4.41Å; Y209-L256 HydrophobicContact CE2-CB 4.4Å; Y209-L256 HydrophobicContact CG-CD1 4.16Å; Y209-L256 PolarHBondContact OH-O 3.11Å; L256-Y260 VanDerWaalsContact O-CB 3.29Å; L256-Y260 WeakPolarHBondContact O-CB 2.87Å; L256-Y260 PolarHBondContact O-N 2.56Å; L256-M280 WeakPolarHBondContact CD1-O 3.38Å; L256-L283 HydrophobicContact CD1-CB 4.46Å; L256-L283 PolarHBondContact N-O 3.05Å; L256-V285 HydrophobicContact CD2-CG2 4.2Å; L256-F288 HydrophobicContact CD1-CD2 4.22Å; L256-F288 HydrophobicContact CD1-CE2 3.78Å; L256-F288 HydrophobicContact CD2-CD2 4.42Å
257	D	98.7	Very high	97.2	Very high	34 Å²	34	52.3 Å²	52.3	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-71.9	-30.8	177.2	-85.9	7.8	0	0	0	114.2	Y209 T255 K261 R274 G281	Y209-D257 PolarHBondContact OH-OD1 2.98Å; T255-D257 PolarHBondContact O-N 2.78Å; D257-K261 WeakPolarHBondContact O-CB 3.49Å; D257-K261 WeakPolarHBondContact O-CD 3.43Å; D257-K261 WeakPolarHBondContact O-CG 3.17Å; D257-K261 PolarHBondContact O-N 2.9Å; D257-K261 VanDerWaalsContact O-N 3.14Å; D257-R274 IonicContact OD1-CZ 2.77Å; D257-R274 IonicContact OD1-NH1 2.84Å; D257-R274 PolarHBondContact OD1-NH1 3.31Å; D257-R274 IonicContact OD2-NH1 3.37Å; D257-R274 PolarHBondContact OD2-NH1 2.97Å; D257-G281 VanDerWaalsContact CB-O 3.26Å; D257-G281 WeakPolarHBondContact CB-O 3.45Å; D257-G281 VanDerWaalsContact CG-CA 3.44Å; D257-G281 PolarHBondContact N-O 2.92Å; D257-G281 WeakPolarHBondContact OD1-CA 3.38Å
258	Q	98.8	Very high	97.3	Very high	81 Å²	81	57.3 Å²	57.3	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-69	-48.3	172.7	-75	169.4	-23.5	0	0	110.4	Q253 T255 K261 E262	Q253-Q258 PolarHBondContact O-OE1 2.85Å; T255-Q258 PolarHBondContact O-N 3Å; T255-Q258 VanDerWaalsContact O-N 3.09Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.41Å; T255-Q258 PolarHBondContact OG1-N 3.36Å; T255-Q258 VanDerWaalsContact OG1-N 3.1Å; Q258-K261 PolarHBondContact O-N 3.12Å; Q258-E262 PolarHBondContact O-N 3.05Å
259	Q	98.7	Very high	97.5	Very high	2 Å²	2	57 Å²	57	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-49	174.9	174.6	166.7	87	0	0	111.1	Y188 D245 S246 T255 K261 E262 V263 V285	Y188-Q259 PolarHBondContact OH-OE1 2.75Å; D245-Q259 WeakPolarHBondContact OD1-CB 3.34Å; D245-Q259 VanDerWaalsContact OD1-CG 3.27Å; D245-Q259 WeakPolarHBondContact OD1-CG 3.4Å; D245-Q259 PolarHBondContact OD1-NE2 3.17Å; S246-Q259 PolarHBondContact OG-NE2 2.74Å; T255-Q259 PolarHBondContact O-N 3.1Å; Q259-K261 VanDerWaalsContact C-N 3.32Å; Q259-K261 PolarHBondContact O-N 3.06Å; Q259-E262 WeakPolarHBondContact O-CB 3.35Å; Q259-E262 PolarHBondContact O-N 2.84Å; Q259-E262 VanDerWaalsContact O-N 3.14Å; Q259-V263 HydrophobicContact CG-CG2 3.98Å; Q259-V263 WeakPolarHBondContact O-CB 3.29Å; Q259-V263 VanDerWaalsContact O-CG2 3.29Å; Q259-V263 WeakPolarHBondContact O-CG2 3.33Å; Q259-V263 PolarHBondContact O-N 3.07Å; Q259-V285 HydrophobicContact CB-CG2 4.09Å
260	Y	98.8	Very high	97.8	Very high	32 Å²	32	54.3 Å²	54.3	13%	0.125	25%	0.254	C	S	.	.	H	α-helix	trans	-57.1	-43	178.6	166.6	-105.7	0	0	0	112.7	T211 L256 E262 K264 V272 R274	T211-Y260 HydrophobicContact CG2-CD2 3.71Å; T211-Y260 HydrophobicContact CG2-CE2 4.39Å; T211-Y260 HydrophobicContact CG2-CG 4.44Å; L256-Y260 VanDerWaalsContact O-CB 3.29Å; L256-Y260 WeakPolarHBondContact O-CB 2.87Å; L256-Y260 PolarHBondContact O-N 2.56Å; Y260-E262 VanDerWaalsContact C-N 3.34Å; Y260-K264 HydrophobicContact CE1-CD 4.27Å; Y260-K264 HydrophobicContact CE2-CD 4.27Å; Y260-K264 WeakPolarHBondContact O-CB 3.48Å; Y260-K264 PolarHBondContact O-N 3.23Å; Y260-K264 PolarHBondContact OH-NZ 3.11Å; Y260-V272 HydrophobicContact CD2-CG1 4.09Å; Y260-V272 HydrophobicContact CE2-CG1 3.85Å; Y260-R274 HydrophobicContact CD2-CB 4.11Å; Y260-R274 HydrophobicContact CE1-CB 4.24Å; Y260-R274 HydrophobicContact CE2-CB 3.66Å
261	K	98.7	Very high	98	Very high	139 Å²	139	55.5 Å²	55.5	60%	0.604	26%	0.259	S	S	*	.	H	α-helix	trans	-65.9	-37.7	178.3	-75.3	170.8	-175.1	176.8	0	112.5	D257 Q258 Q259 R265	D257-K261 WeakPolarHBondContact O-CB 3.49Å; D257-K261 WeakPolarHBondContact O-CD 3.43Å; D257-K261 WeakPolarHBondContact O-CG 3.17Å; D257-K261 PolarHBondContact O-N 2.9Å; D257-K261 VanDerWaalsContact O-N 3.14Å; Q258-K261 PolarHBondContact O-N 3.12Å; Q259-K261 VanDerWaalsContact C-N 3.32Å; Q259-K261 PolarHBondContact O-N 3.06Å; K261-R265 WeakPolarHBondContact O-CB 3.31Å; K261-R265 PolarHBondContact O-N 2.8Å
262	E	98.5	Very high	98.2	Very high	48 Å²	48	55.4 Å²	55.4	22%	0.224	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-55.9	176.5	-172	72.2	-173.5	0	0	111	R254 Q258 Q259 Y260 K264 R265 E266	R254-E262 IonicContact NH2-OE2 3.53Å; Q258-E262 PolarHBondContact O-N 3.05Å; Q259-E262 WeakPolarHBondContact O-CB 3.35Å; Q259-E262 PolarHBondContact O-N 2.84Å; Q259-E262 VanDerWaalsContact O-N 3.14Å; Y260-E262 VanDerWaalsContact C-N 3.34Å; E262-K264 VanDerWaalsContact C-N 3.28Å; E262-K264 PolarHBondContact O-N 2.56Å; E262-R265 WeakPolarHBondContact O-CA 3.35Å; E262-R265 WeakPolarHBondContact O-CB 3.05Å; E262-R265 PolarHBondContact O-N 2.71Å; E262-R265 IonicContact OE1-CZ 3.41Å; E262-R265 IonicContact OE1-NH1 3.78Å; E262-R265 IonicContact OE1-NH2 3.02Å; E262-R265 PolarHBondContact OE1-NH2 3.38Å; E262-R265 IonicContact OE2-CZ 3.07Å; E262-R265 IonicContact OE2-NH1 2.62Å; E262-R265 PolarHBondContact OE2-NH1 2.92Å; E262-R265 IonicContact OE2-NH2 3.74Å; E262-R265 PolarHBondContact OE2-NH2 2.87Å; E262-E266 PolarHBondContact O-N 3.21Å
263	V	98.6	Very high	98.3	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.03	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-42.7	180	173.9	0	0	0	0	110.6	Y238 D241 W242 Q259 R265 E266 T267 V272	Y238-V263 HydrophobicContact CD2-CG1 3.45Å; Y238-V263 VanDerWaalsContact CD2-CG1 3.45Å; Y238-V263 HydrophobicContact CE2-CG1 3.56Å; D241-V263 HydrophobicContact CB-CG1 4.14Å; D241-V263 HydrophobicContact CB-CG2 4.5Å; W242-V263 HydrophobicContact CB-CG1 4.3Å; W242-V263 HydrophobicContact CB-CG2 3.69Å; Q259-V263 HydrophobicContact CG-CG2 3.98Å; Q259-V263 WeakPolarHBondContact O-CB 3.29Å; Q259-V263 VanDerWaalsContact O-CG2 3.29Å; Q259-V263 WeakPolarHBondContact O-CG2 3.33Å; Q259-V263 PolarHBondContact O-N 3.07Å; V263-R265 PolarHBondContact O-N 3.49Å; V263-E266 PolarHBondContact O-N 3.07Å; V263-T267 VanDerWaalsContact O-CB 3.25Å; V263-T267 WeakPolarHBondContact O-CB 3.23Å; V263-T267 PolarHBondContact O-N 3.46Å; V263-T267 PolarHBondContact O-OG1 2.89Å; V263-T267 VanDerWaalsContact O-OG1 3.05Å; V263-V272 HydrophobicContact CG1-CG2 4.5Å
264	K	98.6	Very high	98.4	Very high	87 Å²	87	53.2 Å²	53.2	38%	0.378	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-28.8	174.5	-179.9	165	-175.3	150.5	0	113.7	Y260 E262 V272	Y260-K264 HydrophobicContact CE1-CD 4.27Å; Y260-K264 HydrophobicContact CE2-CD 4.27Å; Y260-K264 WeakPolarHBondContact O-CB 3.48Å; Y260-K264 PolarHBondContact O-N 3.23Å; Y260-K264 PolarHBondContact OH-NZ 3.11Å; E262-K264 VanDerWaalsContact C-N 3.28Å; E262-K264 PolarHBondContact O-N 2.56Å; K264-V272 HydrophobicContact CB-CB 4.04Å; K264-V272 HydrophobicContact CB-CG1 4.49Å; K264-V272 HydrophobicContact CG-CB 4.22Å; K264-V272 PolarHBondContact NZ-O 3.19Å
265	R	98.3	Very high	98.5	Very high	141 Å²	141	53 Å²	53	53%	0.532	24%	0.242	S	C	.	.	H	α-helix	trans	-80.7	-40.5	178.3	-171	-174	68.9	-123.2	3	111.5	K261 E262 V263	K261-R265 WeakPolarHBondContact O-CB 3.31Å; K261-R265 PolarHBondContact O-N 2.8Å; E262-R265 WeakPolarHBondContact O-CA 3.35Å; E262-R265 WeakPolarHBondContact O-CB 3.05Å; E262-R265 PolarHBondContact O-N 2.71Å; E262-R265 IonicContact OE1-CZ 3.41Å; E262-R265 IonicContact OE1-NH1 3.78Å; E262-R265 IonicContact OE1-NH2 3.02Å; E262-R265 PolarHBondContact OE1-NH2 3.38Å; E262-R265 IonicContact OE2-CZ 3.07Å; E262-R265 IonicContact OE2-NH1 2.62Å; E262-R265 PolarHBondContact OE2-NH1 2.92Å; E262-R265 IonicContact OE2-NH2 3.74Å; E262-R265 PolarHBondContact OE2-NH2 2.87Å; V263-R265 PolarHBondContact O-N 3.49Å
266	E	97.9	Very high	98.5	Very high	50 Å²	50	52.5 Å²	52.5	23%	0.234	24%	0.242	C	C	.	.	H	α-helix	trans	-76.8	-37.2	-179.6	-59.5	-53.1	135.3	0	0	112.1	D241 E262 V263 N268 K305	D241-E266 HydrophobicContact CB-CB 4.35Å; D241-E266 VanDerWaalsContact OD2-C 3.22Å; E262-E266 PolarHBondContact O-N 3.21Å; V263-E266 PolarHBondContact O-N 3.07Å; E266-N268 VanDerWaalsContact C-N 3.3Å; E266-N268 PolarHBondContact O-N 3.47Å; E266-K305 IonicContact OE2-NZ 3.41Å
267	T	98.4	Very high	98.5	Very high	1 Å²	1	53 Å²	53	1%	0.006	24%	0.244	C	C	.	.			trans	-77.5	79.2	172.6	-52	0	0	0	0	109.9	L237 Y238 D241 V263 S270 V272	L237-T267 HydrophobicContact CD2-CG2 4.16Å; L237-T267 HydrophobicContact CG-CG2 4.15Å; Y238-T267 WeakPolarHBondContact CA-OG1 3.42Å; D241-T267 VanDerWaalsContact OD2-CA 3.29Å; D241-T267 WeakPolarHBondContact OD2-CA 3.41Å; D241-T267 PolarHBondContact OD2-N 3.49Å; D241-T267 PolarHBondContact OD2-OG1 3.28Å; V263-T267 VanDerWaalsContact O-CB 3.25Å; V263-T267 WeakPolarHBondContact O-CB 3.23Å; V263-T267 PolarHBondContact O-N 3.46Å; V263-T267 PolarHBondContact O-OG1 2.89Å; V263-T267 VanDerWaalsContact O-OG1 3.05Å; T267-S270 VanDerWaalsContact O-O 3.08Å; T267-V272 HydrophobicContact CG2-CG2 3.68Å
268	N	97	Very high	98.4	Very high	124 Å²	124	54.8 Å²	54.8	66%	0.663	26%	0.257	S	S	*	.			trans	-97.1	3.7	-169.1	68.1	-9.9	0	0	0	115.3	E266	E266-N268 VanDerWaalsContact C-N 3.3Å; E266-N268 PolarHBondContact O-N 3.47Å
269	L	98.4	Very high	98.3	Very high	68 Å²	68	59.1 Å²	59.1	36%	0.356	27%	0.27	S	S	.	.	S	Bend	trans	-103.5	-17.4	179.8	-61.7	-179.9	0	0	0	113.8	Y221 L237	Y221-L269 HydrophobicContact CD1-CB 3.93Å; Y221-L269 HydrophobicContact CD1-CD1 3.7Å; Y221-L269 HydrophobicContact CD1-CG 4.45Å; Y221-L269 HydrophobicContact CD2-CB 3.54Å; Y221-L269 HydrophobicContact CE1-CB 4Å; Y221-L269 HydrophobicContact CE1-CD1 4.17Å; Y221-L269 VanDerWaalsContact CE2-C 3.46Å; Y221-L269 HydrophobicContact CE2-CB 3.65Å; Y221-L269 WeakPolarHBondContact CE2-O 3.13Å; Y221-L269 HydrophobicContact CG-CB 3.72Å; Y221-L269 HydrophobicContact CG-CD1 3.99Å; Y221-L269 PolarHBondContact OH-O 2.58Å; L237-L269 HydrophobicContact CD2-CB 4.04Å; L237-L269 HydrophobicContact CD2-CD1 4.06Å; L237-L269 HydrophobicContact CD2-CG 4.05Å
270	S	98.5	Very high	98.3	Very high	7 Å²	7	59.4 Å²	59.4	5%	0.049	27%	0.271	C	S	.	.	S	Bend	trans	-134.4	162.8	173.3	56.3	0	0	0	0	109.7	A213 S219 T267 V272	A213-S270 WeakPolarHBondContact O-CB 3.44Å; A213-S270 PolarHBondContact O-OG 3.18Å; S219-S270 WeakPolarHBondContact O-CB 3.39Å; T267-S270 VanDerWaalsContact O-O 3.08Å; S270-V272 PolarHBondContact O-N 2.8Å
271	H	98.7	Very high	98.3	Very high	113 Å²	113	57.9 Å²	57.9	52%	0.523	27%	0.265	S	S	.	.			trans	-95.5	97.6	-177.8	-57.8	86.4	0	0	0	111.1	A214 S215 E218 Q273	A214-H271 CarbonylContact C-O 3.29Å; A214-H271 VanDerWaalsContact C-O 3.29Å; S215-H271 PolarHBondContact N-O 2.78Å; S215-H271 VanDerWaalsContact N-O 3.13Å; E218-H271 VanDerWaalsContact CD-ND1 3.3Å; E218-H271 WeakPolarHBondContact OE1-CA 3.49Å; E218-H271 WeakPolarHBondContact OE1-CB 3.24Å; E218-H271 IonicContact OE1-CG 2.98Å; E218-H271 PolarHBondContact OE1-N 3.48Å; E218-H271 IonicContact OE1-ND1 3.18Å; E218-H271 PolarHBondContact OE1-ND1 3.06Å; E218-H271 IonicContact OE2-CE1 2.56Å; E218-H271 PolarHBondContact OE2-CE1 3.27Å; E218-H271 IonicContact OE2-CG 3.58Å; E218-H271 IonicContact OE2-ND1 2.8Å; E218-H271 PolarHBondContact OE2-ND1 3.28Å; H271-Q273 WeakPolarHBondContact O-CG 3.48Å; H271-Q273 PolarHBondContact O-N 3.32Å; H271-Q273 PolarHBondContact O-NE2 2.91Å
272	V	98.8	Very high	98.3	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	27%	0.272	C	S	.	.			trans	-55.2	128.2	172.4	-174.9	0	0	0	0	110.5	T212 Y238 Y260 V263 K264 T267 S270	T212-V272 VanDerWaalsContact O-CA 3.28Å; T212-V272 WeakPolarHBondContact O-CA 3.32Å; T212-V272 WeakPolarHBondContact O-CG1 3.35Å; Y238-V272 HydrophobicContact CD2-CG1 4.06Å; Y238-V272 HydrophobicContact CD2-CG2 3.84Å; Y238-V272 HydrophobicContact CE2-CG1 3.8Å; Y238-V272 HydrophobicContact CE2-CG2 4.43Å; Y260-V272 HydrophobicContact CD2-CG1 4.09Å; Y260-V272 HydrophobicContact CE2-CG1 3.85Å; V263-V272 HydrophobicContact CG1-CG2 4.5Å; K264-V272 HydrophobicContact CB-CB 4.04Å; K264-V272 HydrophobicContact CB-CG1 4.49Å; K264-V272 HydrophobicContact CG-CB 4.22Å; K264-V272 PolarHBondContact NZ-O 3.19Å; T267-V272 HydrophobicContact CG2-CG2 3.68Å; S270-V272 PolarHBondContact O-N 2.8Å
273	Q	98.7	Very high	98.3	Very high	50 Å²	50	59.1 Å²	59.1	23%	0.234	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	163.3	-179.5	-53.9	-64.1	-51.1	0	0	111.9	T211 T212 H271 Y275	T211-Q273 WeakPolarHBondContact CA-O 3.47Å; T211-Q273 WeakPolarHBondContact CB-O 3.38Å; T212-Q273 PolarHBondContact N-O 2.96Å; T212-Q273 VanDerWaalsContact N-O 3.12Å; T212-Q273 PolarHBondContact O-N 3.46Å; T212-Q273 VanDerWaalsContact O-N 3.15Å; T212-Q273 WeakPolarHBondContact OG1-CB 3.36Å; H271-Q273 WeakPolarHBondContact O-CG 3.48Å; H271-Q273 PolarHBondContact O-N 3.32Å; H271-Q273 PolarHBondContact O-NE2 2.91Å; Q273-Y275 HydrophobicContact CB-CD2 4.27Å; Q273-Y275 HydrophobicContact CB-CE2 3.37Å; Q273-Y275 WeakPolarHBondContact CB-OH 3.17Å; Q273-Y275 HydrophobicContact CG-CE2 4.23Å; Q273-Y275 WeakPolarHBondContact CG-OH 3.46Å
274	R	98.6	Very high	98.3	Very high	76 Å²	76	62.5 Å²	62.5	29%	0.287	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.3	177.3	-176.9	-179.1	68.3	173.8	2.9	110.2	Y209 A210 T211 D257 Y260	Y209-R274 HydrophobicContact CE1-CG 4.44Å; Y209-R274 HydrophobicContact CE2-CG 3.91Å; Y209-R274 VanDerWaalsContact CZ-CD 3.5Å; Y209-R274 WeakPolarHBondContact OH-CD 3.26Å; A210-R274 CarbonylContact O-C 3.6Å; A210-R274 VanDerWaalsContact O-CA 3.3Å; A210-R274 WeakPolarHBondContact O-CA 3.32Å; T211-R274 HydrophobicContact CG2-CB 4.25Å; T211-R274 HydrophobicContact CG2-CG 4.22Å; D257-R274 IonicContact OD1-CZ 2.77Å; D257-R274 IonicContact OD1-NH1 2.84Å; D257-R274 PolarHBondContact OD1-NH1 3.31Å; D257-R274 IonicContact OD2-NH1 3.37Å; D257-R274 PolarHBondContact OD2-NH1 2.97Å; Y260-R274 HydrophobicContact CD2-CB 4.11Å; Y260-R274 HydrophobicContact CE1-CB 4.24Å; Y260-R274 HydrophobicContact CE2-CB 3.66Å
275	Y	98.8	Very high	98.3	Very high	30 Å²	30	58.3 Å²	58.3	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	169.4	-175.5	-56.5	-81.6	0	0	0	112.4	G195 F198 Q199 A210 T212 Q273	G195-Y275 WeakPolarHBondContact CA-OH 3.15Å; G195-Y275 PolarHBondContact O-OH 2.62Å; F198-Y275 HydrophobicContact CB-CD1 4.07Å; F198-Y275 HydrophobicContact CB-CD2 3.63Å; F198-Y275 HydrophobicContact CB-CE2 4.23Å; F198-Y275 HydrophobicContact CB-CG 3.53Å; F198-Y275 AromaticContact CD2-CD2 3.92Å; F198-Y275 HydrophobicContact CD2-CD2 3.92Å; F198-Y275 HydrophobicContact CD2-CE2 4.48Å; F198-Y275 HydrophobicContact CG-CD2 4.2Å; F198-Y275 HydrophobicContact CG-CG 4.41Å; Q199-Y275 HydrophobicContact CB-CE1 3.96Å; Q199-Y275 HydrophobicContact CG-CE1 4.37Å; A210-Y275 PolarHBondContact N-O 2.82Å; A210-Y275 VanDerWaalsContact N-O 3.09Å; A210-Y275 PolarHBondContact O-N 2.98Å; T212-Y275 HydrophobicContact CG2-CD2 4.26Å; T212-Y275 HydrophobicContact CG2-CE2 4.05Å; Q273-Y275 HydrophobicContact CB-CD2 4.27Å; Q273-Y275 HydrophobicContact CB-CE2 3.37Å; Q273-Y275 WeakPolarHBondContact CB-OH 3.17Å; Q273-Y275 HydrophobicContact CG-CE2 4.23Å; Q273-Y275 WeakPolarHBondContact CG-OH 3.46Å
276	G	98.5	Very high	98.2	Very high	13 Å²	13	51.9 Å²	51.9	13%	0.134	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.1	-142.4	175.3	0	0	0	0	0	114.1	I208 T278	I208-G276 CarbonylContact O-C 3.47Å; I208-G276 WeakPolarHBondContact O-CA 3.14Å; G276-T278 PolarHBondContact O-N 3.31Å; G276-T278 VanDerWaalsContact O-N 3.1Å
277	D	98.3	Very high	98.2	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.059	24%	0.242	C	C	.	.			trans	-78.9	89.9	-179.9	-167.4	-8.5	0	0	0	111.3	S204 I208 R279 M280	S204-D277 VanDerWaalsContact O-CB 3.32Å; S204-D277 WeakPolarHBondContact O-CB 3.47Å; I208-D277 PolarHBondContact O-N 2.91Å; D277-R279 PolarHBondContact O-N 2.68Å; D277-R279 VanDerWaalsContact OD1-CB 3.24Å; D277-R279 WeakPolarHBondContact OD1-CB 3.37Å; D277-R279 WeakPolarHBondContact OD1-CG 3.22Å; D277-R279 IonicContact OD1-CZ 3.29Å; D277-R279 PolarHBondContact OD1-N 2.84Å; D277-R279 IonicContact OD1-NE 3.45Å; D277-R279 PolarHBondContact OD1-NE 3.41Å; D277-R279 IonicContact OD1-NH2 3.38Å; D277-R279 IonicContact OD2-CZ 3.66Å; D277-R279 IonicContact OD2-NE 3.45Å; D277-R279 PolarHBondContact OD2-NE 3.23Å; D277-R279 IonicContact OD2-NH2 3.56Å; D277-R279 PolarHBondContact OD2-NH2 2.97Å; D277-M280 HydrophobicContact CB-CG 4.09Å; D277-M280 HydrophobicContact CB-SD 4.06Å; D277-M280 VanDerWaalsContact O-CB 3.3Å; D277-M280 WeakPolarHBondContact O-CB 3.34Å; D277-M280 PolarHBondContact O-N 2.73Å
278	T	96.1	Very high	98.2	Very high	72 Å²	72	51.3 Å²	51.3	44%	0.442	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-60.4	-17.1	178.4	58	0	0	0	0	114.2	G276 M280 G281	G276-T278 PolarHBondContact O-N 3.31Å; G276-T278 VanDerWaalsContact O-N 3.1Å; T278-M280 PolarHBondContact O-N 2.97Å; T278-G281 PolarHBondContact O-N 2.03Å
279	R	98.2	Very high	98.2	Very high	172 Å²	172	45.4 Å²	45.4	65%	0.649	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-67.5	-28.1	175.2	-58	170.1	-64.8	177	4.3	111.6	D277 G281 K282	D277-R279 PolarHBondContact O-N 2.68Å; D277-R279 VanDerWaalsContact OD1-CB 3.24Å; D277-R279 WeakPolarHBondContact OD1-CB 3.37Å; D277-R279 WeakPolarHBondContact OD1-CG 3.22Å; D277-R279 IonicContact OD1-CZ 3.29Å; D277-R279 PolarHBondContact OD1-N 2.84Å; D277-R279 IonicContact OD1-NE 3.45Å; D277-R279 PolarHBondContact OD1-NE 3.41Å; D277-R279 IonicContact OD1-NH2 3.38Å; D277-R279 IonicContact OD2-CZ 3.66Å; D277-R279 IonicContact OD2-NE 3.45Å; D277-R279 PolarHBondContact OD2-NE 3.23Å; D277-R279 IonicContact OD2-NH2 3.56Å; D277-R279 PolarHBondContact OD2-NH2 2.97Å; R279-G281 PolarHBondContact O-N 3.48Å; R279-K282 PolarHBondContact O-N 2.82Å
280	M	98.5	Very high	98.1	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.039	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.5	-19.6	172.3	-67.3	177.8	56.3	0	0	112.3	K184 V186 S207 Y209 L256 D277 T278 K282 L283 F288	K184-M280 HydrophobicContact CB-CE 3.73Å; K184-M280 HydrophobicContact CD-CE 4.43Å; V186-M280 HydrophobicContact CG2-CE 4.2Å; S207-M280 VanDerWaalsContact O-SD 3.42Å; Y209-M280 HydrophobicContact CD2-CB 4.08Å; Y209-M280 HydrophobicContact CG-CB 4.43Å; L256-M280 WeakPolarHBondContact CD1-O 3.38Å; D277-M280 HydrophobicContact CB-CG 4.09Å; D277-M280 HydrophobicContact CB-SD 4.06Å; D277-M280 VanDerWaalsContact O-CB 3.3Å; D277-M280 WeakPolarHBondContact O-CB 3.34Å; D277-M280 PolarHBondContact O-N 2.73Å; T278-M280 PolarHBondContact O-N 2.97Å; M280-K282 PolarHBondContact O-N 3.35Å; M280-L283 HydrophobicContact CB-CD1 3.93Å; M280-L283 HydrophobicContact CE-CD1 4.4Å; M280-L283 HydrophobicContact CG-CD1 4.02Å; M280-L283 WeakPolarHBondContact O-CB 3.29Å; M280-L283 VanDerWaalsContact O-CG 3.31Å; M280-L283 WeakPolarHBondContact O-CG 3.25Å; M280-L283 PolarHBondContact O-N 2.67Å; M280-F288 HydrophobicContact CE-CE1 4.22Å; M280-F288 HydrophobicContact CE-CZ 3.76Å
281	G	98.4	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-53.8	-22.1	175.7	0	0	0	0	0	115.4	T255 D257 T278 R279	T255-G281 WeakPolarHBondContact CB-O 3.49Å; D257-G281 VanDerWaalsContact CB-O 3.26Å; D257-G281 WeakPolarHBondContact CB-O 3.45Å; D257-G281 VanDerWaalsContact CG-CA 3.44Å; D257-G281 PolarHBondContact N-O 2.92Å; D257-G281 WeakPolarHBondContact OD1-CA 3.38Å; T278-G281 PolarHBondContact O-N 2.03Å; R279-G281 PolarHBondContact O-N 3.48Å
282	K	98.4	Very high	97.5	Very high	173 Å²	173	43.4 Å²	43.4	75%	0.752	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-83.3	-14.2	176.7	-61.2	-179.1	-178.7	-179.5	0	113.9	R279 M280	R279-K282 PolarHBondContact O-N 2.82Å; M280-K282 PolarHBondContact O-N 3.35Å
283	L	98.4	Very high	96.5	Very high	40 Å²	40	47.3 Å²	47.3	21%	0.209	22%	0.216	C	C	.	.	S	Bend	trans	-71.1	153.4	177.5	-60	177.3	0	0	0	110.3	K184 T255 L256 M280 E287 F288	K184-L283 HydrophobicContact CD-CD1 3.27Å; T255-L283 CarbonylContact C-O 3.54Å; T255-L283 VanDerWaalsContact CA-O 3.24Å; T255-L283 WeakPolarHBondContact CA-O 3.45Å; T255-L283 WeakPolarHBondContact CB-O 3.42Å; L256-L283 HydrophobicContact CD1-CB 4.46Å; L256-L283 PolarHBondContact N-O 3.05Å; M280-L283 HydrophobicContact CB-CD1 3.93Å; M280-L283 HydrophobicContact CE-CD1 4.4Å; M280-L283 HydrophobicContact CG-CD1 4.02Å; M280-L283 WeakPolarHBondContact O-CB 3.29Å; M280-L283 VanDerWaalsContact O-CG 3.31Å; M280-L283 WeakPolarHBondContact O-CG 3.25Å; M280-L283 PolarHBondContact O-N 2.67Å; L283-E287 VanDerWaalsContact CB-OE1 3.29Å; L283-E287 WeakPolarHBondContact CB-OE1 3.42Å; L283-E287 WeakPolarHBondContact CD2-OE1 3.09Å; L283-F288 HydrophobicContact CB-CE2 4.3Å; L283-F288 HydrophobicContact CD1-CE2 4.28Å; L283-F288 HydrophobicContact CD1-CZ 4.13Å
284	H	98.3	Very high	94.9	Very high	75 Å²	75	49.4 Å²	49.4	35%	0.347	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-79	143.1	178.5	-67.8	145.2	0	0	0	110.9	T252 R254 S286 E287	T252-H284 PolarHBondContact O-CE1 2.83Å; T252-H284 PolarHBondContact O-ND1 3.12Å; T252-H284 VanDerWaalsContact O-ND1 3.13Å; R254-H284 CarbonylContact O-C 3.59Å; R254-H284 WeakPolarHBondContact O-CA 3.06Å; H284-S286 WeakPolarHBondContact CB-OG 3.25Å; H284-S286 PolarHBondContact O-N 3.49Å; H284-S286 VanDerWaalsContact O-N 3.15Å; H284-E287 PolarHBondContact N-OE1 3.42Å; H284-E287 VanDerWaalsContact N-OE1 3.1Å; H284-E287 WeakPolarHBondContact O-CB 3.4Å; H284-E287 PolarHBondContact O-N 3.31Å
285	V	98.3	Very high	92.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.2	175.7	-179.3	0	0	0	0	110	L251 R254 L256 Q259 E287 F288 Q289	L251-V285 HydrophobicContact CB-CB 4.27Å; L251-V285 HydrophobicContact CD1-CG1 4.15Å; L251-V285 HydrophobicContact CD2-CB 4.13Å; L251-V285 HydrophobicContact CD2-CG1 3.92Å; L251-V285 HydrophobicContact CG-CG1 4.43Å; R254-V285 HydrophobicContact CB-CG2 4.35Å; R254-V285 HydrophobicContact CG-CG2 4.14Å; R254-V285 WeakPolarHBondContact O-CG2 3.06Å; R254-V285 PolarHBondContact O-N 2.97Å; L256-V285 HydrophobicContact CD2-CG2 4.2Å; Q259-V285 HydrophobicContact CB-CG2 4.09Å; V285-E287 PolarHBondContact O-N 2.9Å; V285-E287 VanDerWaalsContact O-N 3.16Å; V285-F288 PolarHBondContact O-N 3.04Å; V285-Q289 HydrophobicContact CG1-CB 4.01Å; V285-Q289 HydrophobicContact CG1-CG 3.95Å; V285-Q289 PolarHBondContact O-N 3.32Å
286	S	97.4	Very high	90.3	Very high	5 Å²	5	49 Å²	49	4%	0.035	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-22.6	178	58.6	0	0	0	0	115	K37 L251 T252 H284 F288 G290	K37-S286 WeakPolarHBondContact CD-O 3.49Å; K37-S286 VanDerWaalsContact CE-O 3.23Å; K37-S286 WeakPolarHBondContact CE-O 3.1Å; K37-S286 PolarHBondContact NZ-O 3.23Å; L251-S286 VanDerWaalsContact C-CB 3.44Å; L251-S286 WeakPolarHBondContact O-CB 3.48Å; L251-S286 PolarHBondContact O-N 2.83Å; L251-S286 VanDerWaalsContact O-N 3.12Å; L251-S286 PolarHBondContact O-OG 3.25Å; T252-S286 WeakPolarHBondContact CA-OG 3.35Å; H284-S286 WeakPolarHBondContact CB-OG 3.25Å; H284-S286 PolarHBondContact O-N 3.49Å; H284-S286 VanDerWaalsContact O-N 3.15Å; S286-F288 PolarHBondContact O-N 2.88Å; S286-G290 WeakPolarHBondContact CA-O 3.18Å; S286-G290 WeakPolarHBondContact CB-O 3.46Å; S286-G290 CarbonylContact O-C 3.52Å; S286-G290 PolarHBondContact O-N 2.72Å
287	E	97	Very high	87.6	Confident	39 Å²	39	53.4 Å²	53.4	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-25.4	174.7	-68.6	177.7	-121.7	0	0	111.4	K37 D143 K184 L283 H284 V285	K37-E287 WeakPolarHBondContact CD-O 3.25Å; K37-E287 WeakPolarHBondContact CG-O 3.39Å; D143-E287 WeakPolarHBondContact CB-O 3.29Å; K184-E287 IonicContact NZ-OE2 2.61Å; K184-E287 PolarHBondContact NZ-OE2 3.41Å; L283-E287 VanDerWaalsContact CB-OE1 3.29Å; L283-E287 WeakPolarHBondContact CB-OE1 3.42Å; L283-E287 WeakPolarHBondContact CD2-OE1 3.09Å; H284-E287 PolarHBondContact N-OE1 3.42Å; H284-E287 VanDerWaalsContact N-OE1 3.1Å; H284-E287 WeakPolarHBondContact O-CB 3.4Å; H284-E287 PolarHBondContact O-N 3.31Å; V285-E287 PolarHBondContact O-N 2.9Å; V285-E287 VanDerWaalsContact O-N 3.16Å
288	F	98.4	Very high	85.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-115.2	-34.3	-173.7	-56.3	-81.3	0	0	0	113.3	I69 D143 F145 K184 V186 L256 M280 L283 V285 S286	I69-F288 WeakPolarHBondContact CD1-O 3.48Å; D143-F288 HydrophobicContact CB-CD1 4.02Å; D143-F288 HydrophobicContact CB-CE1 3.99Å; F145-F288 HydrophobicContact CB-CB 4.29Å; K184-F288 HydrophobicContact CB-CE1 3.76Å; K184-F288 HydrophobicContact CB-CZ 3.87Å; K184-F288 HydrophobicContact CD-CZ 4.28Å; V186-F288 HydrophobicContact CB-CB 4.42Å; V186-F288 HydrophobicContact CB-CD1 3.89Å; V186-F288 HydrophobicContact CB-CE1 4.3Å; V186-F288 HydrophobicContact CB-CG 4.01Å; V186-F288 HydrophobicContact CG2-CB 4.38Å; V186-F288 HydrophobicContact CG2-CD1 3.47Å; V186-F288 VanDerWaalsContact CG2-CD1 3.47Å; V186-F288 HydrophobicContact CG2-CD2 3.63Å; V186-F288 HydrophobicContact CG2-CE1 3.51Å; V186-F288 HydrophobicContact CG2-CE2 3.67Å; V186-F288 HydrophobicContact CG2-CG 3.53Å; V186-F288 HydrophobicContact CG2-CZ 3.61Å; L256-F288 HydrophobicContact CD1-CD2 4.22Å; L256-F288 HydrophobicContact CD1-CE2 3.78Å; L256-F288 HydrophobicContact CD2-CD2 4.42Å; M280-F288 HydrophobicContact CE-CE1 4.22Å; M280-F288 HydrophobicContact CE-CZ 3.76Å; L283-F288 HydrophobicContact CB-CE2 4.3Å; L283-F288 HydrophobicContact CD1-CE2 4.28Å; L283-F288 HydrophobicContact CD1-CZ 4.13Å; V285-F288 PolarHBondContact O-N 3.04Å; S286-F288 PolarHBondContact O-N 2.88Å
289	Q	97.8	Very high	82.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-112.4	8.7	-171.5	-59.9	-172.7	17.4	0	0	113.9	L64 K67 F145 S246 L251 V285	L64-Q289 HydrophobicContact CD2-CB 3.6Å; L64-Q289 HydrophobicContact CD2-CG 3.87Å; K67-Q289 WeakPolarHBondContact CB-O 3.42Å; F145-Q289 HydrophobicContact CD1-CG 4.28Å; F145-Q289 HydrophobicContact CD2-CG 4.4Å; F145-Q289 HydrophobicContact CE1-CG 4.4Å; F145-Q289 HydrophobicContact CG-CG 4.28Å; S246-Q289 VanDerWaalsContact CB-OE1 3.24Å; S246-Q289 PolarHBondContact OG-OE1 3.46Å; L251-Q289 HydrophobicContact CD1-CB 3.91Å; V285-Q289 HydrophobicContact CG1-CB 4.01Å; V285-Q289 HydrophobicContact CG1-CG 3.95Å; V285-Q289 PolarHBondContact O-N 3.32Å
290	G	96.2	Very high	81	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.298	C	S	.	.			trans	98.9	148.6	176.9	0	0	0	0	0	113.3	D34 K67 S286	D34-G290 WeakPolarHBondContact OD1-CA 3.34Å; K67-G290 CarbonylContact O-C 3.59Å; K67-G290 WeakPolarHBondContact O-CA 2.97Å; S286-G290 WeakPolarHBondContact CA-O 3.18Å; S286-G290 WeakPolarHBondContact CB-O 3.46Å; S286-G290 CarbonylContact O-C 3.52Å; S286-G290 PolarHBondContact O-N 2.72Å
291	S	93.4	Very high	79.6	Confident	13 Å²	13	64.8 Å²	64.8	9%	0.091	32%	0.324	C	S	.	.			trans	-109	0.2	-174.4	44.8	0	0	0	0	114.7	V32 D34 K37 K67 D293	V32-S291 PolarHBondContact O-OG 2.89Å; D34-S291 PolarHBondContact OD1-N 2.78Å; D34-S291 VanDerWaalsContact OD1-N 3.07Å; D34-S291 PolarHBondContact OD1-OG 2.69Å; K37-S291 PolarHBondContact NZ-OG 2.72Å; K67-S291 PolarHBondContact O-N 2.98Å; K67-S291 VanDerWaalsContact O-N 3.1Å; S291-D293 PolarHBondContact O-N 3.32Å; S291-D293 VanDerWaalsContact O-N 3.09Å
292	R	91.6	Very high	78.7	Confident	134 Å²	134	70 Å²	70	51%	0.506	36%	0.357	S	S	.	.			trans	-65.2	116.5	-178.8	-172.9	-178	174.1	173.2	2.4	110.2	K67 K294	K67-R292 VanDerWaalsContact C-CB 3.43Å; K67-R292 VanDerWaalsContact O-CB 3.26Å; K67-R292 WeakPolarHBondContact O-CB 3.37Å; K67-R292 PolarHBondContact O-N 3.27Å; R292-K294 HydrophobicContact CG-CB 4.34Å; R292-K294 PolarHBondContact O-N 3.04Å
293	D	78.3	Confident	78	Confident	83 Å²	83	63.8 Å²	63.8	44%	0.444	34%	0.335	S	S	.	.			trans	-75.6	68.7	167.5	-72.2	-29.7	0	0	0	109.6	H250 S291	H250-D293 IonicContact CD2-OD1 3.14Å; S291-D293 PolarHBondContact O-N 3.32Å; S291-D293 VanDerWaalsContact O-N 3.09Å
294	K	63.5	Low	77.7	Confident	94 Å²	94	63.7 Å²	63.7	41%	0.409	33%	0.334	S	S	.	.			trans	-95.4	102.3	156.5	-155.9	178.5	-175.2	-172	0	106.2	R292 S296	R292-K294 HydrophobicContact CG-CB 4.34Å; R292-K294 PolarHBondContact O-N 3.04Å; K294-S296 PolarHBondContact O-N 3.33Å; K294-S296 VanDerWaalsContact O-N 3.1Å
295	S	50.6	Low	77.6	Confident	62 Å²	62	67.3 Å²	67.3	43%	0.434	35%	0.348	S	S	.	.			trans	-59.5	113.2	155	66	0	0	0	0	105	T297	S295-T297 WeakPolarHBondContact CB-OG1 3.17Å; S295-T297 PolarHBondContact O-N 2.76Å; S295-T297 PolarHBondContact OG-OG1 3.12Å
296	S	50.5	Low	77.5	Confident	34 Å²	34	68.6 Å²	68.6	24%	0.238	36%	0.357	C	S	.	.			trans	-72.8	31.6	173.2	66.9	0	0	0	0	111.4	K294 E298 D300	K294-S296 PolarHBondContact O-N 3.33Å; K294-S296 VanDerWaalsContact O-N 3.1Å; S296-E298 PolarHBondContact O-N 2.93Å; S296-D300 VanDerWaalsContact CB-OD2 3.25Å; S296-D300 WeakPolarHBondContact CB-OD2 3.28Å; S296-D300 WeakPolarHBondContact O-CB 3.43Å; S296-D300 PolarHBondContact OG-OD2 3.36Å
297	T	43	Very low	77.4	Confident	107 Å²	107	74.2 Å²	74.2	66%	0.656	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-7	-176.1	47	0	0	0	0	113.5	S295 N299	S295-T297 WeakPolarHBondContact CB-OG1 3.17Å; S295-T297 PolarHBondContact O-N 2.76Å; S295-T297 PolarHBondContact OG-OG1 3.12Å; T297-N299 VanDerWaalsContact C-N 3.3Å; T297-N299 PolarHBondContact O-N 3.14Å
298	E	45.5	Very low	77.5	Confident	159 Å²	159	76.3 Å²	76.3	74%	0.743	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-14.1	-175	-83.8	-174.2	166.1	0	0	114.4	S296	S296-E298 PolarHBondContact O-N 2.93Å
299	N	47.6	Very low	77.5	Confident	160 Å²	160	78 Å²	78	86%	0.856	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-167.2	11.2	169.8	-88	-43.4	0	0	0	115.6	T297	T297-N299 VanDerWaalsContact C-N 3.3Å; T297-N299 PolarHBondContact O-N 3.14Å
300	D	61	Low	77.5	Confident	59 Å²	59	79.9 Å²	79.9	32%	0.316	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-87.8	118.8	-177.4	-72.5	-21.3	0	0	0	110.9	K101 S296	K101-D300 IonicContact NZ-OD1 2.72Å; K101-D300 PolarHBondContact NZ-OD1 3.31Å; K101-D300 IonicContact NZ-OD2 2.76Å; K101-D300 PolarHBondContact NZ-OD2 2.99Å; S296-D300 VanDerWaalsContact CB-OD2 3.25Å; S296-D300 WeakPolarHBondContact CB-OD2 3.28Å; S296-D300 WeakPolarHBondContact O-CB 3.43Å; S296-D300 PolarHBondContact OG-OD2 3.36Å
301	E	68.8	Low	77.6	Confident	124 Å²	124	80.9 Å²	80.9	58%	0.579	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-50.2	145.6	164.9	-74.2	-178.4	158.5	0	0	110.3	N99	N99-E301 PolarHBondContact OD1-OE2 3.15Å
302	P	78	Confident	77.8	Confident	109 Å²	109	80.3 Å²	80.3	71%	0.708	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-57	136.8	176.3	24.8	-33.1	0	0	0	109.5	M304	P302-M304 PolarHBondContact O-N 3.29Å
303	P	84.3	Confident	78.1	Confident	43 Å²	43	76.1 Å²	76.1	28%	0.279	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-55.2	137.2	179.5	-30.5	39	0	0	0	112	V244 T248	V244-P303 HydrophobicContact CB-CB 4.26Å; V244-P303 HydrophobicContact CG1-CB 3.36Å; V244-P303 HydrophobicContact CG1-CG 3.72Å; V244-P303 HydrophobicContact CG2-CB 3.83Å; V244-P303 HydrophobicContact CG2-CG 4.42Å; T248-P303 HydrophobicContact CG2-CG 3.51Å
304	M	93.1	Very high	79	Confident	38 Å²	38	74.9 Å²	74.9	19%	0.187	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-73.8	139.2	-178.8	-169.5	171.6	-53.9	0	0	110.2	Y98 N99 F224 Y240 P302	Y98-M304 HydrophobicContact CD2-CE 4.49Å; Y98-M304 HydrophobicContact CD2-SD 3.59Å; Y98-M304 VanDerWaalsContact CD2-SD 3.59Å; Y98-M304 HydrophobicContact CG-SD 4.18Å; N99-M304 WeakPolarHBondContact OD1-CE 3.43Å; F224-M304 HydrophobicContact CD1-SD 4.43Å; F224-M304 HydrophobicContact CE1-CB 4.14Å; F224-M304 HydrophobicContact CE1-CG 3.94Å; F224-M304 HydrophobicContact CE1-SD 3.93Å; F224-M304 HydrophobicContact CZ-CB 4.27Å; Y240-M304 WeakPolarHBondContact CE1-O 3.43Å; Y240-M304 PolarHBondContact OH-N 3.46Å; Y240-M304 VanDerWaalsContact OH-N 3.14Å; Y240-M304 PolarHBondContact OH-O 2.77Å; P302-M304 PolarHBondContact O-N 3.29Å
305	K	95.1	Very high	80.6	Confident	151 Å²	151	70.4 Å²	70.4	66%	0.657	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-65.9	132.3	169.6	-171.8	169.6	-174.3	162.6	0	110.1	E266 R307	E266-K305 IonicContact OE2-NZ 3.41Å; K305-R307 PolarHBondContact O-N 3.31Å
306	P	96.1	Very high	82.8	Confident	27 Å²	27	68 Å²	68	18%	0.175	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-51	138.2	173.9	-30.7	37.7	0	0	0	113.1	T223 F224 L237 Y240 D241	T223-P306 HydrophobicContact CG2-CB 4.08Å; F224-P306 HydrophobicContact CZ-CB 4.45Å; F224-P306 HydrophobicContact CZ-CG 4.42Å; L237-P306 HydrophobicContact CD1-CB 3.43Å; L237-P306 VanDerWaalsContact CD1-CB 3.43Å; L237-P306 HydrophobicContact CD1-CG 3.81Å; Y240-P306 HydrophobicContact CD1-CG 3.61Å; Y240-P306 HydrophobicContact CE1-CG 3.94Å; D241-P306 WeakPolarHBondContact OD1-CG 3.46Å
307	R	96.6	Very high	85.1	Confident	123 Å²	123	67.8 Å²	67.8	46%	0.464	35%	0.35	S	S	.	.			trans	-157	160	177.5	56.4	177.6	174.3	156.4	-2.3	110.9	Y98 T223 F224 K305	Y98-R307 HydrophobicContact CE2-CG 3.94Å; T223-R307 PolarHBondContact OG1-N 3.36Å; T223-R307 PolarHBondContact OG1-O 2.84Å; F224-R307 WeakPolarHBondContact CA-O 3.49Å; F224-R307 PolarHBondContact N-O 3.2Å; K305-R307 PolarHBondContact O-N 3.31Å
308	H	98	Very high	87.7	Confident	82 Å²	82	64.7 Å²	64.7	38%	0.38	33%	0.328	S	S	.	.	S	Bend	trans	59.6	52.1	-177.6	-38.8	133.4	0	0	0	111.3	Y98 C225 D226	Y98-H308 AromaticContact CE2-ND1 3.53Å; Y98-H308 AromaticContact CZ-ND1 3.6Å; Y98-H308 PolarHBondContact OH-ND1 3.33Å; C225-H308 WeakPolarHBondContact CB-O 3.47Å; C225-H308 PolarHBondContact N-O 2.94Å; C225-H308 PolarHBondContact SG-O 3.17Å; D226-H308 HydrophobicContact CB-CB 3.73Å; D226-H308 WeakPolarHBondContact CB-ND1 3.44Å
309	S	98.5	Very high	90.2	Very high	36 Å²	36	57.1 Å²	57.1	25%	0.252	29%	0.292	S	S	.	.			trans	-83.8	143.9	-178.5	-54.9	0	0	0	0	112	G222 T223	G222-S309 CarbonylContact O-C 3.55Å; G222-S309 WeakPolarHBondContact O-CA 3.48Å; G222-S309 VanDerWaalsContact O-CB 3.25Å; G222-S309 WeakPolarHBondContact O-CB 3.42Å; T223-S309 WeakPolarHBondContact CB-OG 3.39Å; T223-S309 PolarHBondContact OG1-OG 3.31Å
310	I	98.5	Very high	92.6	Very high	40 Å²	40	49.6 Å²	49.6	21%	0.205	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.8	-176.9	-58.4	-66	0	0	0	108.3	Y221 G222 C225 S312 D314 I315 H318	Y221-I310 WeakPolarHBondContact CA-O 3.21Å; G222-I310 PolarHBondContact N-O 3.01Å; G222-I310 PolarHBondContact O-N 3.36Å; C225-I310 HydrophobicContact CB-CG1 3.77Å; I310-S312 PolarHBondContact O-N 3.1Å; I310-D314 HydrophobicContact CG2-CB 4.02Å; I310-I315 HydrophobicContact CB-CG1 4.14Å; I310-I315 HydrophobicContact CG2-CG1 3.89Å; I310-H318 HydrophobicContact CG2-CB 4.16Å
311	A	98	Very high	94.3	Very high	21 Å²	21	51.4 Å²	51.4	17%	0.174	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	135.7	175.2	0	0	0	0	0	109.9	Y221 R313 D314 I315	Y221-A311 VanDerWaalsContact CD1-CA 3.47Å; Y221-A311 HydrophobicContact CD1-CB 4.1Å; Y221-A311 HydrophobicContact CE1-CB 3.78Å; A311-R313 PolarHBondContact O-N 3.45Å; A311-D314 PolarHBondContact O-N 3.4Å; A311-I315 PolarHBondContact O-N 3.24Å
312	S	98	Very high	95.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.8	-170.3	-67.5	0	0	0	0	113.6	S220 Y221 I310	S220-S312 VanDerWaalsContact C-OG 3.24Å; S220-S312 WeakPolarHBondContact O-CB 3.19Å; S220-S312 PolarHBondContact O-N 2.99Å; S220-S312 PolarHBondContact O-OG 3.18Å; S220-S312 PolarHBondContact OG-OG 2.85Å; Y221-S312 PolarHBondContact N-OG 3.06Å; I310-S312 PolarHBondContact O-N 3.1Å
313	R	96.7	Very high	96.6	Very high	45 Å²	45	42.9 Å²	42.9	17%	0.17	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.7	177.8	-63.7	176.8	177.6	137.4	7.9	114.4	E193 A311 P398 G402	E193-R313 IonicContact OE1-CZ 3.17Å; E193-R313 IonicContact OE1-NH1 2.62Å; E193-R313 IonicContact OE1-NH2 2.75Å; E193-R313 PolarHBondContact OE1-NH2 3.11Å; E193-R313 IonicContact OE2-CZ 3.65Å; E193-R313 IonicContact OE2-NH2 2.74Å; E193-R313 PolarHBondContact OE2-NH2 2.64Å; A311-R313 PolarHBondContact O-N 3.45Å; R313-P398 HydrophobicContact CG-CB 4.42Å; R313-G402 VanDerWaalsContact CZ-N 3.3Å
314	D	97.3	Very high	97.2	Very high	57 Å²	57	41.4 Å²	41.4	31%	0.305	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-10.2	-175.7	-65.8	-43.9	0	0	0	112.8	I310 A311 P316 L317 H318 R347	I310-D314 HydrophobicContact CG2-CB 4.02Å; A311-D314 PolarHBondContact O-N 3.4Å; D314-P316 VanDerWaalsContact C-N 3.34Å; D314-L317 PolarHBondContact O-N 3.04Å; D314-H318 WeakPolarHBondContact O-CB 3.38Å; D314-H318 PolarHBondContact O-N 2.89Å; D314-R347 IonicContact OD1-CZ 3.49Å; D314-R347 IonicContact OD1-NH1 2.69Å; D314-R347 PolarHBondContact OD1-NH1 2.94Å; D314-R347 IonicContact OD1-NH2 3.6Å; D314-R347 PolarHBondContact OD1-NH2 3.19Å
315	I	98.1	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-53.9	-41.1	-179.3	-64.4	174.8	0	0	0	112.8	C233 I310 A311 L317 H318 T319	C233-I315 HydrophobicContact CB-CD1 4.37Å; I310-I315 HydrophobicContact CB-CG1 4.14Å; I310-I315 HydrophobicContact CG2-CG1 3.89Å; A311-I315 PolarHBondContact O-N 3.24Å; I315-L317 VanDerWaalsContact C-N 3.34Å; I315-L317 PolarHBondContact O-N 3.35Å; I315-H318 PolarHBondContact O-N 3.06Å; I315-T319 VanDerWaalsContact O-CB 3.29Å; I315-T319 WeakPolarHBondContact O-CB 3.41Å; I315-T319 PolarHBondContact O-N 3.28Å; I315-T319 PolarHBondContact O-OG1 3.45Å
316	P	96.7	Very high	97.3	Very high	12 Å²	12	41.7 Å²	41.7	8%	0.078	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-39.1	176.8	-26.1	36.2	0	0	0	114.2	F49 D314 L320 P398	F49-P316 HydrophobicContact CD1-CB 4.31Å; D314-P316 VanDerWaalsContact C-N 3.34Å; P316-L320 PolarHBondContact O-N 3.26Å; P316-P398 HydrophobicContact CG-CG 4.02Å
317	L	97.4	Very high	97.3	Very high	30 Å²	30	41.9 Å²	41.9	16%	0.157	20%	0.204	C	C	.	.	H	α-helix	trans	-74.6	-42.3	178.2	-62.5	-178.5	0	0	0	111	D314 I315 T319 L320 H321 L340 K343 L344	D314-L317 PolarHBondContact O-N 3.04Å; I315-L317 VanDerWaalsContact C-N 3.34Å; I315-L317 PolarHBondContact O-N 3.35Å; L317-T319 VanDerWaalsContact C-N 3.29Å; L317-T319 PolarHBondContact O-N 3.09Å; L317-L320 PolarHBondContact O-N 3.13Å; L317-H321 WeakPolarHBondContact O-CB 3.37Å; L317-H321 PolarHBondContact O-N 3.41Å; L317-L340 HydrophobicContact CD2-CD1 3.92Å; L317-K343 HydrophobicContact CD2-CB 3.76Å; L317-K343 HydrophobicContact CD2-CD 4.25Å; L317-L344 HydrophobicContact CD1-CD2 4.06Å; L317-L344 HydrophobicContact CD2-CD2 4.4Å
318	H	97.9	Very high	97.2	Very high	41 Å²	41	44.1 Å²	44.1	19%	0.19	23%	0.225	C	C	.	.	H	α-helix	trans	-56	-45.5	172.4	178.2	71.6	0	0	0	111.3	C225 I310 D314 I315 L320 H321 R322	C225-H318 WeakPolarHBondContact CB-NE2 3.48Å; C225-H318 PolarHBondContact O-NE2 3.1Å; I310-H318 HydrophobicContact CG2-CB 4.16Å; D314-H318 WeakPolarHBondContact O-CB 3.38Å; D314-H318 PolarHBondContact O-N 2.89Å; I315-H318 PolarHBondContact O-N 3.06Å; H318-L320 PolarHBondContact O-N 2.84Å; H318-H321 WeakPolarHBondContact O-CB 3.39Å; H318-H321 PolarHBondContact O-N 3.38Å; H318-R322 WeakPolarHBondContact NE2-CD 3.47Å; H318-R322 WeakPolarHBondContact O-CG 3.46Å; H318-R322 PolarHBondContact O-N 3.3Å
319	T	98	Very high	97.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-45.1	179.6	-58.5	0	0	0	0	111.9	F49 T231 T232 I315 L317 R322 Q323	F49-T319 HydrophobicContact CD1-CG2 3.47Å; F49-T319 VanDerWaalsContact CD1-CG2 3.47Å; F49-T319 HydrophobicContact CE1-CG2 3.43Å; F49-T319 VanDerWaalsContact CE1-CG2 3.43Å; F49-T319 HydrophobicContact CG-CG2 4.36Å; F49-T319 HydrophobicContact CZ-CG2 4.25Å; T231-T319 VanDerWaalsContact O-CA 3.25Å; T231-T319 WeakPolarHBondContact O-CA 3.44Å; T231-T319 WeakPolarHBondContact O-CG2 3.3Å; T232-T319 WeakPolarHBondContact CB-OG1 3.37Å; T232-T319 PolarHBondContact OG1-OG1 3.15Å; I315-T319 VanDerWaalsContact O-CB 3.29Å; I315-T319 WeakPolarHBondContact O-CB 3.41Å; I315-T319 PolarHBondContact O-N 3.28Å; I315-T319 PolarHBondContact O-OG1 3.45Å; L317-T319 VanDerWaalsContact C-N 3.29Å; L317-T319 PolarHBondContact O-N 3.09Å; T319-R322 PolarHBondContact O-N 3.06Å; T319-Q323 WeakPolarHBondContact O-CG 3.33Å; T319-Q323 PolarHBondContact O-N 3.39Å
320	L	97.5	Very high	97	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-42.3	174.6	-77.3	178.1	0	0	0	112	F49 P316 L317 H318 R322 Q323 I324 L336 I339 L340 K343	F49-L320 HydrophobicContact CE1-CD2 4.34Å; F49-L320 HydrophobicContact CE1-CG 4.12Å; F49-L320 HydrophobicContact CZ-CD2 4.17Å; F49-L320 HydrophobicContact CZ-CG 4.43Å; P316-L320 PolarHBondContact O-N 3.26Å; L317-L320 PolarHBondContact O-N 3.13Å; H318-L320 PolarHBondContact O-N 2.84Å; L320-R322 VanDerWaalsContact C-N 3.31Å; L320-R322 PolarHBondContact O-N 3.22Å; L320-Q323 PolarHBondContact O-N 3.12Å; L320-I324 VanDerWaalsContact O-CG1 3.28Å; L320-I324 WeakPolarHBondContact O-CG1 3.48Å; L320-I324 PolarHBondContact O-N 2.86Å; L320-L336 HydrophobicContact CD2-CD2 4.23Å; L320-I339 HydrophobicContact CD1-CG2 3.92Å; L320-I339 HydrophobicContact CD2-CB 4.47Å; L320-I339 HydrophobicContact CD2-CG2 3.86Å; L320-L340 HydrophobicContact CB-CD1 4.4Å; L320-L340 HydrophobicContact CD1-CB 4.2Å; L320-L340 HydrophobicContact CD1-CD1 4.2Å; L320-K343 HydrophobicContact CD1-CD 3.47Å; L320-K343 VanDerWaalsContact CD1-CD 3.47Å; L320-K343 HydrophobicContact CD1-CG 4.09Å
321	H	97.6	Very high	97	Very high	97 Å²	97	50.9 Å²	50.9	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-58.3	-45.9	176.7	179.3	69	0	0	0	110.8	L317 H318 Q323 I324 M325	L317-H321 WeakPolarHBondContact O-CB 3.37Å; L317-H321 PolarHBondContact O-N 3.41Å; H318-H321 WeakPolarHBondContact O-CB 3.39Å; H318-H321 PolarHBondContact O-N 3.38Å; H321-Q323 PolarHBondContact O-N 2.87Å; H321-I324 PolarHBondContact O-N 3.44Å; H321-M325 VanDerWaalsContact O-CG 3.28Å; H321-M325 WeakPolarHBondContact O-CG 3.26Å; H321-M325 PolarHBondContact O-N 3.28Å
322	R	97.6	Very high	96.9	Very high	29 Å²	29	53.5 Å²	53.5	11%	0.109	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-46.2	174.5	-69	-166.2	65.7	75	-6.4	112.6	C225 D226 D227 T231 H318 T319 L320 I324 M325 M326	C225-R322 WeakPolarHBondContact O-CD 3.42Å; C225-R322 PolarHBondContact O-NE 3.03Å; D226-R322 VanDerWaalsContact C-NH2 3.28Å; D226-R322 IonicContact OD1-CZ 3.07Å; D226-R322 IonicContact OD1-NH1 2.76Å; D226-R322 PolarHBondContact OD1-NH1 2.9Å; D226-R322 IonicContact OD1-NH2 3.91Å; D226-R322 PolarHBondContact OD1-NH2 3.44Å; D227-R322 PolarHBondContact O-NH2 2.72Å; T231-R322 HydrophobicContact CG2-CB 4.43Å; T231-R322 WeakPolarHBondContact O-CD 3.49Å; H318-R322 WeakPolarHBondContact NE2-CD 3.47Å; H318-R322 WeakPolarHBondContact O-CG 3.46Å; H318-R322 PolarHBondContact O-N 3.3Å; T319-R322 PolarHBondContact O-N 3.06Å; L320-R322 VanDerWaalsContact C-N 3.31Å; L320-R322 PolarHBondContact O-N 3.22Å; R322-I324 VanDerWaalsContact C-N 3.3Å; R322-I324 PolarHBondContact O-N 2.98Å; R322-M325 PolarHBondContact O-N 3.29Å; R322-M325 VanDerWaalsContact O-N 3.13Å; R322-M326 HydrophobicContact CB-SD 4.31Å; R322-M326 VanDerWaalsContact O-CB 3.32Å; R322-M326 WeakPolarHBondContact O-CB 3.39Å; R322-M326 VanDerWaalsContact O-CG 3.24Å; R322-M326 WeakPolarHBondContact O-CG 3.33Å; R322-M326 PolarHBondContact O-N 3.41Å
323	Q	96.9	Very high	96.9	Very high	26 Å²	26	57.8 Å²	57.8	12%	0.121	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-42.8	176.4	-71.9	173.9	-21	0	0	112	T231 T319 L320 H321 M325 M326 T327 L336	T231-Q323 HydrophobicContact CG2-CG 3.67Å; T231-Q323 WeakPolarHBondContact OG1-CG 3.35Å; T231-Q323 PolarHBondContact OG1-NE2 3.41Å; T319-Q323 WeakPolarHBondContact O-CG 3.33Å; T319-Q323 PolarHBondContact O-N 3.39Å; L320-Q323 PolarHBondContact O-N 3.12Å; H321-Q323 PolarHBondContact O-N 2.87Å; Q323-M325 VanDerWaalsContact C-N 3.34Å; Q323-M325 PolarHBondContact O-N 3.45Å; Q323-M326 PolarHBondContact O-N 3.01Å; Q323-T327 WeakPolarHBondContact O-CB 3.4Å; Q323-T327 WeakPolarHBondContact O-CG2 3.28Å; Q323-T327 PolarHBondContact O-N 2.96Å; Q323-T327 VanDerWaalsContact O-N 3.07Å; Q323-L336 HydrophobicContact CB-CD1 3.81Å; Q323-L336 HydrophobicContact CB-CD2 4.15Å
324	I	97.6	Very high	96.9	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.062	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-38.9	176.9	-69	163.7	0	0	0	111.8	L320 H321 R322 K333 L336 M337 L340	L320-I324 VanDerWaalsContact O-CG1 3.28Å; L320-I324 WeakPolarHBondContact O-CG1 3.48Å; L320-I324 PolarHBondContact O-N 2.86Å; H321-I324 PolarHBondContact O-N 3.44Å; R322-I324 VanDerWaalsContact C-N 3.3Å; R322-I324 PolarHBondContact O-N 2.98Å; I324-K333 HydrophobicContact CG2-CG 4.07Å; I324-L336 HydrophobicContact CD1-CB 4.26Å; I324-L336 HydrophobicContact CG1-CB 3.49Å; I324-L336 VanDerWaalsContact CG1-CB 3.49Å; I324-L336 HydrophobicContact CG1-CD1 4.37Å; I324-M337 HydrophobicContact CD1-CG 3.99Å; I324-M337 HydrophobicContact CG1-CG 4.33Å; I324-M337 HydrophobicContact CG2-CG 4.16Å; I324-L340 HydrophobicContact CD1-CB 4.13Å; I324-L340 HydrophobicContact CD1-CD2 3.78Å
325	M	96.5	Very high	97	Very high	126 Å²	126	61.9 Å²	61.9	62%	0.621	32%	0.322	S	S	*	.	H	α-helix	trans	-77.7	-30	-178.3	-67.2	-57.9	-69.4	0	0	112.8	H321 R322 Q323	H321-M325 VanDerWaalsContact O-CG 3.28Å; H321-M325 WeakPolarHBondContact O-CG 3.26Å; H321-M325 PolarHBondContact O-N 3.28Å; R322-M325 PolarHBondContact O-N 3.29Å; R322-M325 VanDerWaalsContact O-N 3.13Å; Q323-M325 VanDerWaalsContact C-N 3.34Å; Q323-M325 PolarHBondContact O-N 3.45Å
326	M	94.7	Very high	97	Very high	68 Å²	68	63.1 Å²	63.1	34%	0.335	33%	0.328	S	S	.	.	H	α-helix	trans	-91.6	-19.1	-176	-67.5	173	59.2	0	0	113.7	P228 T231 R322 Q323	P228-M326 WeakPolarHBondContact O-CE 3.4Å; T231-M326 HydrophobicContact CG2-CE 4.08Å; T231-M326 HydrophobicContact CG2-SD 3.78Å; R322-M326 HydrophobicContact CB-SD 4.31Å; R322-M326 VanDerWaalsContact O-CB 3.32Å; R322-M326 WeakPolarHBondContact O-CB 3.39Å; R322-M326 VanDerWaalsContact O-CG 3.24Å; R322-M326 WeakPolarHBondContact O-CG 3.33Å; R322-M326 PolarHBondContact O-N 3.41Å; Q323-M326 PolarHBondContact O-N 3.01Å
327	T	94.7	Very high	97	Very high	31 Å²	31	67.8 Å²	67.8	19%	0.19	35%	0.351	C	S	.	.			trans	-75.9	131.5	176.6	-173.2	0	0	0	0	112	Q323 N329 D332 K333 L336	Q323-T327 WeakPolarHBondContact O-CB 3.4Å; Q323-T327 WeakPolarHBondContact O-CG2 3.28Å; Q323-T327 PolarHBondContact O-N 2.96Å; Q323-T327 VanDerWaalsContact O-N 3.07Å; T327-N329 PolarHBondContact OG1-N 3.44Å; T327-D332 HydrophobicContact CG2-CB 4.47Å; T327-K333 HydrophobicContact CG2-CB 3.75Å; T327-K333 HydrophobicContact CG2-CG 4.26Å; T327-L336 HydrophobicContact CG2-CD1 4.13Å
328	N	94.5	Very high	97.1	Very high	170 Å²	170	72 Å²	72	91%	0.909	37%	0.37	S	S	*	.			trans	-90.7	-8.1	171.3	-68.3	-42.5	0	0	0	112.5
329	N	96.7	Very high	97.1	Very high	67 Å²	67	72.5 Å²	72.5	36%	0.358	37%	0.373	S	S	.	.			trans	-88.2	120.3	-179.8	179.3	-15.6	0	0	0	109.8	T327 E331 D332 K333	T327-N329 PolarHBondContact OG1-N 3.44Å; N329-E331 VanDerWaalsContact C-N 3.32Å; N329-E331 PolarHBondContact O-N 3.48Å; N329-E331 WeakPolarHBondContact OD1-CB 3.4Å; N329-E331 PolarHBondContact OD1-N 3.42Å; N329-D332 HydrophobicContact CB-CB 3.93Å; N329-D332 VanDerWaalsContact CB-OD2 3.23Å; N329-D332 WeakPolarHBondContact CB-OD2 3.43Å; N329-D332 VanDerWaalsContact CG-OD2 3.29Å; N329-D332 VanDerWaalsContact ND2-CG 3.32Å; N329-D332 PolarHBondContact ND2-OD2 3.32Å; N329-D332 PolarHBondContact O-N 2.93Å; N329-D332 PolarHBondContact OD1-N 3.29Å; N329-K333 WeakPolarHBondContact O-CB 3.32Å; N329-K333 PolarHBondContact O-N 2.99Å
330	A	96.7	Very high	97	Very high	79 Å²	79	74.2 Å²	74.2	65%	0.653	38%	0.382	S	S	*	.	H	α-helix	trans	-64.5	-34.1	-179	0	0	0	0	0	113.3	S334	A330-S334 WeakPolarHBondContact O-CB 3.17Å; A330-S334 PolarHBondContact O-N 3.34Å
331	E	97.5	Very high	97.1	Very high	155 Å²	155	75.4 Å²	75.4	72%	0.724	40%	0.395	S	S	*	.	H	α-helix	trans	-69.3	-48.2	177.1	-63.8	179.6	-178.5	0	0	110.5	N329 K333 S334 F335	N329-E331 VanDerWaalsContact C-N 3.32Å; N329-E331 PolarHBondContact O-N 3.48Å; N329-E331 WeakPolarHBondContact OD1-CB 3.4Å; N329-E331 PolarHBondContact OD1-N 3.42Å; E331-K333 VanDerWaalsContact C-N 3.28Å; E331-K333 PolarHBondContact O-N 3.39Å; E331-S334 PolarHBondContact O-N 2.98Å; E331-F335 WeakPolarHBondContact O-CB 3.41Å; E331-F335 PolarHBondContact O-N 2.98Å
332	D	96.2	Very high	97.1	Very high	76 Å²	76	76.4 Å²	76.4	41%	0.406	40%	0.403	S	S	.	.	H	α-helix	trans	-59.7	-42.3	175.4	-66.2	-24.9	0	0	0	110.7	T327 N329 F335 L336	T327-D332 HydrophobicContact CG2-CB 4.47Å; N329-D332 HydrophobicContact CB-CB 3.93Å; N329-D332 VanDerWaalsContact CB-OD2 3.23Å; N329-D332 WeakPolarHBondContact CB-OD2 3.43Å; N329-D332 VanDerWaalsContact CG-OD2 3.29Å; N329-D332 VanDerWaalsContact ND2-CG 3.32Å; N329-D332 PolarHBondContact ND2-OD2 3.32Å; N329-D332 PolarHBondContact O-N 2.93Å; N329-D332 PolarHBondContact OD1-N 3.29Å; D332-F335 PolarHBondContact O-N 3.48Å; D332-L336 WeakPolarHBondContact O-CB 3.48Å; D332-L336 VanDerWaalsContact O-CG 3.22Å; D332-L336 WeakPolarHBondContact O-CG 3.34Å; D332-L336 PolarHBondContact O-N 3.31Å
333	K	98	Very high	97	Very high	90 Å²	90	77.2 Å²	77.2	39%	0.391	41%	0.407	S	S	.	.	H	α-helix	trans	-59	-49.5	176.5	-169.2	172.2	-176.2	165.6	0	111.7	I324 T327 N329 E331 F335 L336 M337	I324-K333 HydrophobicContact CG2-CG 4.07Å; T327-K333 HydrophobicContact CG2-CB 3.75Å; T327-K333 HydrophobicContact CG2-CG 4.26Å; N329-K333 WeakPolarHBondContact O-CB 3.32Å; N329-K333 PolarHBondContact O-N 2.99Å; E331-K333 VanDerWaalsContact C-N 3.28Å; E331-K333 PolarHBondContact O-N 3.39Å; K333-F335 VanDerWaalsContact C-N 3.33Å; K333-F335 PolarHBondContact O-N 2.9Å; K333-L336 PolarHBondContact O-N 3.48Å; K333-M337 VanDerWaalsContact O-CG 3.32Å; K333-M337 WeakPolarHBondContact O-CG 3.28Å; K333-M337 PolarHBondContact O-N 2.61Å
334	S	98	Very high	97.1	Very high	64 Å²	64	79.5 Å²	79.5	45%	0.448	42%	0.42	S	S	.	.	H	α-helix	trans	-59.9	-44	177.4	179.4	0	0	0	0	111.5	A330 E331 M337 Q338	A330-S334 WeakPolarHBondContact O-CB 3.17Å; A330-S334 PolarHBondContact O-N 3.34Å; E331-S334 PolarHBondContact O-N 2.98Å; S334-M337 PolarHBondContact O-N 2.87Å; S334-Q338 WeakPolarHBondContact O-CG 3.47Å; S334-Q338 PolarHBondContact O-N 3.43Å; S334-Q338 VanDerWaalsContact O-N 3.13Å
335	F	97.9	Very high	97.1	Very high	125 Å²	125	85.9 Å²	85.9	55%	0.548	45%	0.447	S	S	.	.	H	α-helix	trans	-64.9	-45.6	178.6	-177.3	-115.3	0	0	0	112.4	E331 D332 K333 M337 Q338 I339	E331-F335 WeakPolarHBondContact O-CB 3.41Å; E331-F335 PolarHBondContact O-N 2.98Å; D332-F335 PolarHBondContact O-N 3.48Å; K333-F335 VanDerWaalsContact C-N 3.33Å; K333-F335 PolarHBondContact O-N 2.9Å; F335-M337 VanDerWaalsContact C-N 3.32Å; F335-M337 PolarHBondContact O-N 3.42Å; F335-Q338 WeakPolarHBondContact O-CB 3.44Å; F335-Q338 PolarHBondContact O-N 2.87Å; F335-Q338 VanDerWaalsContact O-N 3.1Å; F335-I339 HydrophobicContact CD1-CD1 3.93Å; F335-I339 HydrophobicContact CE1-CD1 3.54Å; F335-I339 HydrophobicContact CE1-CG1 4.41Å; F335-I339 HydrophobicContact CZ-CD1 3.93Å; F335-I339 HydrophobicContact CZ-CG1 4.43Å; F335-I339 PolarHBondContact O-N 3.35Å
336	L	98	Very high	97.1	Very high	26 Å²	26	83.1 Å²	83.1	14%	0.136	43%	0.43	C	S	.	.	H	α-helix	trans	-62.6	-37.2	176	-71.3	166	0	0	0	112.3	L320 Q323 I324 T327 D332 K333 Q338 I339 L340	L320-L336 HydrophobicContact CD2-CD2 4.23Å; Q323-L336 HydrophobicContact CB-CD1 3.81Å; Q323-L336 HydrophobicContact CB-CD2 4.15Å; I324-L336 HydrophobicContact CD1-CB 4.26Å; I324-L336 HydrophobicContact CG1-CB 3.49Å; I324-L336 VanDerWaalsContact CG1-CB 3.49Å; I324-L336 HydrophobicContact CG1-CD1 4.37Å; T327-L336 HydrophobicContact CG2-CD1 4.13Å; D332-L336 WeakPolarHBondContact O-CB 3.48Å; D332-L336 VanDerWaalsContact O-CG 3.22Å; D332-L336 WeakPolarHBondContact O-CG 3.34Å; D332-L336 PolarHBondContact O-N 3.31Å; K333-L336 PolarHBondContact O-N 3.48Å; L336-Q338 VanDerWaalsContact C-N 3.3Å; L336-Q338 PolarHBondContact O-N 3.13Å; L336-I339 PolarHBondContact O-N 3.25Å; L336-L340 PolarHBondContact O-N 2.91Å
337	M	98	Very high	97.2	Very high	110 Å²	110	83.7 Å²	83.7	54%	0.542	43%	0.428	S	S	.	.	H	α-helix	trans	-62.5	-36.7	173.1	-74.9	-178.2	71.7	0	0	112.2	I324 K333 S334 F335 L340 G341	I324-M337 HydrophobicContact CD1-CG 3.99Å; I324-M337 HydrophobicContact CG1-CG 4.33Å; I324-M337 HydrophobicContact CG2-CG 4.16Å; K333-M337 VanDerWaalsContact O-CG 3.32Å; K333-M337 WeakPolarHBondContact O-CG 3.28Å; K333-M337 PolarHBondContact O-N 2.61Å; S334-M337 PolarHBondContact O-N 2.87Å; F335-M337 VanDerWaalsContact C-N 3.32Å; F335-M337 PolarHBondContact O-N 3.42Å; M337-L340 PolarHBondContact O-N 2.89Å; M337-G341 PolarHBondContact O-N 3.22Å
338	Q	98.2	Very high	97.3	Very high	119 Å²	119	86.3 Å²	86.3	56%	0.556	44%	0.441	S	S	*	.	H	α-helix	trans	-65.7	-42.7	173.3	-67	173	44	0	0	111.5	S334 F335 L336 L340 G341 L342	S334-Q338 WeakPolarHBondContact O-CG 3.47Å; S334-Q338 PolarHBondContact O-N 3.43Å; S334-Q338 VanDerWaalsContact O-N 3.13Å; F335-Q338 WeakPolarHBondContact O-CB 3.44Å; F335-Q338 PolarHBondContact O-N 2.87Å; F335-Q338 VanDerWaalsContact O-N 3.1Å; L336-Q338 VanDerWaalsContact C-N 3.3Å; L336-Q338 PolarHBondContact O-N 3.13Å; Q338-L340 VanDerWaalsContact C-N 3.35Å; Q338-L340 PolarHBondContact O-N 3.48Å; Q338-G341 PolarHBondContact O-N 3.38Å; Q338-L342 WeakPolarHBondContact O-CG 3.45Å; Q338-L342 PolarHBondContact O-N 3Å
339	I	97.6	Very high	97.5	Very high	50 Å²	50	82.9 Å²	82.9	26%	0.256	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-44.1	175	-64	172	0	0	0	110.9	L320 F335 L336 G341 L342 K343	L320-I339 HydrophobicContact CD1-CG2 3.92Å; L320-I339 HydrophobicContact CD2-CB 4.47Å; L320-I339 HydrophobicContact CD2-CG2 3.86Å; F335-I339 HydrophobicContact CD1-CD1 3.93Å; F335-I339 HydrophobicContact CE1-CD1 3.54Å; F335-I339 HydrophobicContact CE1-CG1 4.41Å; F335-I339 HydrophobicContact CZ-CD1 3.93Å; F335-I339 HydrophobicContact CZ-CG1 4.43Å; F335-I339 PolarHBondContact O-N 3.35Å; L336-I339 PolarHBondContact O-N 3.25Å; I339-G341 VanDerWaalsContact C-N 3.34Å; I339-G341 PolarHBondContact O-N 2.98Å; I339-L342 PolarHBondContact O-N 3.48Å; I339-K343 PolarHBondContact O-N 3.28Å
340	L	97.7	Very high	97.5	Very high	36 Å²	36	79.7 Å²	79.7	19%	0.188	41%	0.405	C	S	.	.	H	α-helix	trans	-58.9	-46	175.3	177.7	61.2	0	0	0	111.1	L317 L320 I324 L336 M337 Q338 L342 K343 L344	L317-L340 HydrophobicContact CD2-CD1 3.92Å; L320-L340 HydrophobicContact CB-CD1 4.4Å; L320-L340 HydrophobicContact CD1-CB 4.2Å; L320-L340 HydrophobicContact CD1-CD1 4.2Å; I324-L340 HydrophobicContact CD1-CB 4.13Å; I324-L340 HydrophobicContact CD1-CD2 3.78Å; L336-L340 PolarHBondContact O-N 2.91Å; M337-L340 PolarHBondContact O-N 2.89Å; Q338-L340 VanDerWaalsContact C-N 3.35Å; Q338-L340 PolarHBondContact O-N 3.48Å; L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 PolarHBondContact O-N 2.94Å; L340-K343 PolarHBondContact O-N 3.19Å; L340-K343 VanDerWaalsContact O-N 3.16Å; L340-L344 HydrophobicContact CD1-CD1 4.29Å; L340-L344 HydrophobicContact CD1-CG 4.23Å; L340-L344 HydrophobicContact CG-CD1 4.11Å; L340-L344 HydrophobicContact CG-CG 4.49Å; L340-L344 WeakPolarHBondContact O-CG 3.5Å; L340-L344 PolarHBondContact O-N 3.46Å
341	G	98	Very high	97.6	Very high	28 Å²	28	79.3 Å²	79.3	29%	0.289	39%	0.39	S	S	.	.	H	α-helix	trans	-58.1	-39.6	175.3	0	0	0	0	0	113.1	M337 Q338 I339 K345	M337-G341 PolarHBondContact O-N 3.22Å; Q338-G341 PolarHBondContact O-N 3.38Å; I339-G341 VanDerWaalsContact C-N 3.34Å; I339-G341 PolarHBondContact O-N 2.98Å; G341-K345 VanDerWaalsContact O-CG 3.29Å; G341-K345 WeakPolarHBondContact O-CG 3.48Å; G341-K345 PolarHBondContact O-N 3.43Å
342	L	97.7	Very high	97.6	Very high	118 Å²	118	76 Å²	76	62%	0.618	38%	0.377	S	S	*	.	H	α-helix	trans	-66.4	-41.2	174.9	-69.4	173.8	0	0	0	112.4	Q338 I339 L340 R346	Q338-L342 WeakPolarHBondContact O-CG 3.45Å; Q338-L342 PolarHBondContact O-N 3Å; I339-L342 PolarHBondContact O-N 3.48Å; L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 PolarHBondContact O-N 2.94Å; L342-R346 PolarHBondContact O-N 2.91Å
343	K	96.8	Very high	97.7	Very high	46 Å²	46	73 Å²	73	20%	0.2	36%	0.362	C	S	.	.	H	α-helix	trans	-67.1	-39.9	177	-71.1	-161.6	-170.3	-82.3	0	112.5	L317 L320 I339 L340 R346 R347	L317-K343 HydrophobicContact CD2-CB 3.76Å; L317-K343 HydrophobicContact CD2-CD 4.25Å; L320-K343 HydrophobicContact CD1-CD 3.47Å; L320-K343 VanDerWaalsContact CD1-CD 3.47Å; L320-K343 HydrophobicContact CD1-CG 4.09Å; I339-K343 PolarHBondContact O-N 3.28Å; L340-K343 PolarHBondContact O-N 3.19Å; L340-K343 VanDerWaalsContact O-N 3.16Å; K343-R346 WeakPolarHBondContact O-CB 3.38Å; K343-R346 PolarHBondContact O-N 3.44Å; K343-R347 PolarHBondContact O-N 2.9Å
344	L	97.5	Very high	97.7	Very high	73 Å²	73	69 Å²	69	38%	0.382	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-47.2	175.3	-70.9	172.4	0	0	0	111.2	L317 L340 R346 R347 D348	L317-L344 HydrophobicContact CD1-CD2 4.06Å; L317-L344 HydrophobicContact CD2-CD2 4.4Å; L340-L344 HydrophobicContact CD1-CD1 4.29Å; L340-L344 HydrophobicContact CD1-CG 4.23Å; L340-L344 HydrophobicContact CG-CD1 4.11Å; L340-L344 HydrophobicContact CG-CG 4.49Å; L340-L344 WeakPolarHBondContact O-CG 3.5Å; L340-L344 PolarHBondContact O-N 3.46Å; L344-R346 PolarHBondContact O-N 3.31Å; L344-R347 WeakPolarHBondContact O-CB 2.98Å; L344-R347 PolarHBondContact O-N 3.22Å; L344-D348 PolarHBondContact O-N 3.41Å
345	K	98	Very high	97.7	Very high	147 Å²	147	71 Å²	71	64%	0.639	35%	0.345	S	S	*	.	H	α-helix	trans	-56.9	-37.7	174.1	-74.7	174.6	-178.8	-178.1	0	112.8	G341 L349	G341-K345 VanDerWaalsContact O-CG 3.29Å; G341-K345 WeakPolarHBondContact O-CG 3.48Å; G341-K345 PolarHBondContact O-N 3.43Å; K345-L349 VanDerWaalsContact O-CB 3.3Å; K345-L349 WeakPolarHBondContact O-CB 3.18Å; K345-L349 PolarHBondContact O-N 2.81Å
346	R	97	Very high	97.7	Very high	68 Å²	68	69.2 Å²	69.2	26%	0.257	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-41.5	175.4	-177.2	179.8	65	173.8	12.7	111.8	L342 K343 L344 D348 L349 I350 Q396	L342-R346 PolarHBondContact O-N 2.91Å; K343-R346 WeakPolarHBondContact O-CB 3.38Å; K343-R346 PolarHBondContact O-N 3.44Å; L344-R346 PolarHBondContact O-N 3.31Å; R346-D348 VanDerWaalsContact C-N 3.35Å; R346-L349 WeakPolarHBondContact O-CB 3.45Å; R346-L349 PolarHBondContact O-N 3.46Å; R346-I350 HydrophobicContact CG-CD1 4.05Å; R346-I350 VanDerWaalsContact O-CG1 3.28Å; R346-I350 WeakPolarHBondContact O-CG1 3.45Å; R346-I350 PolarHBondContact O-N 3.13Å; R346-Q396 PolarHBondContact NH1-O 3.37Å; R346-Q396 PolarHBondContact NH2-O 3.26Å
347	R	96.8	Very high	97.8	Very high	79 Å²	79	68 Å²	68	30%	0.298	33%	0.334	S	S	.	.	H	α-helix	trans	-60.4	-45.9	175.2	-177.7	173.3	175.8	151.5	-1.1	111	D314 K343 L344 L349 I350 E351 E399	D314-R347 IonicContact OD1-CZ 3.49Å; D314-R347 IonicContact OD1-NH1 2.69Å; D314-R347 PolarHBondContact OD1-NH1 2.94Å; D314-R347 IonicContact OD1-NH2 3.6Å; D314-R347 PolarHBondContact OD1-NH2 3.19Å; K343-R347 PolarHBondContact O-N 2.9Å; L344-R347 WeakPolarHBondContact O-CB 2.98Å; L344-R347 PolarHBondContact O-N 3.22Å; R347-L349 VanDerWaalsContact C-N 3.35Å; R347-L349 PolarHBondContact O-N 3.1Å; R347-I350 PolarHBondContact O-N 2.86Å; R347-E351 PolarHBondContact O-N 3.44Å; R347-E399 HydrophobicContact CG-CG 4.39Å
348	D	97.6	Very high	97.8	Very high	86 Å²	86	64.7 Å²	64.7	46%	0.46	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-44	175.4	-61.4	-21.6	0	0	0	111.2	L344 R346 I350 E351 D352	L344-D348 PolarHBondContact O-N 3.41Å; R346-D348 VanDerWaalsContact C-N 3.35Å; D348-I350 PolarHBondContact O-N 3.48Å; D348-E351 PolarHBondContact O-N 3.24Å; D348-D352 WeakPolarHBondContact O-CB 3.46Å; D348-D352 PolarHBondContact O-N 3.04Å
349	L	97.6	Very high	97.8	Very high	98 Å²	98	66 Å²	66	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-43.2	176.5	177.4	64.7	0	0	0	112.2	K345 R346 R347 T353 F392	K345-L349 VanDerWaalsContact O-CB 3.3Å; K345-L349 WeakPolarHBondContact O-CB 3.18Å; K345-L349 PolarHBondContact O-N 2.81Å; R346-L349 WeakPolarHBondContact O-CB 3.45Å; R346-L349 PolarHBondContact O-N 3.46Å; R347-L349 VanDerWaalsContact C-N 3.35Å; R347-L349 PolarHBondContact O-N 3.1Å; L349-T353 VanDerWaalsContact O-CB 3.25Å; L349-T353 WeakPolarHBondContact O-CB 3.5Å; L349-T353 PolarHBondContact O-N 3.41Å; L349-T353 PolarHBondContact O-OG1 2.88Å; L349-F392 HydrophobicContact CD2-CE1 4.02Å; L349-F392 HydrophobicContact CD2-CZ 4.11Å; L349-F392 HydrophobicContact CG-CE1 4.28Å; L349-F392 HydrophobicContact CG-CZ 3.89Å
350	I	97.7	Very high	97.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-47.6	176.5	-67.8	162.2	0	0	0	109.9	R346 R347 D348 T353 M354 F392 A397 E399 V400	R346-I350 HydrophobicContact CG-CD1 4.05Å; R346-I350 VanDerWaalsContact O-CG1 3.28Å; R346-I350 WeakPolarHBondContact O-CG1 3.45Å; R346-I350 PolarHBondContact O-N 3.13Å; R347-I350 PolarHBondContact O-N 2.86Å; D348-I350 PolarHBondContact O-N 3.48Å; I350-T353 PolarHBondContact O-N 3.05Å; I350-M354 WeakPolarHBondContact O-CB 3.24Å; I350-M354 WeakPolarHBondContact O-CG 3.33Å; I350-M354 PolarHBondContact O-N 3.43Å; I350-F392 HydrophobicContact CB-CD2 4.35Å; I350-F392 HydrophobicContact CB-CE2 4.27Å; I350-F392 HydrophobicContact CD1-CG 4.41Å; I350-F392 HydrophobicContact CG1-CB 4.48Å; I350-F392 HydrophobicContact CG1-CD1 3.91Å; I350-F392 HydrophobicContact CG1-CD2 3.69Å; I350-F392 HydrophobicContact CG1-CE1 4.03Å; I350-F392 HydrophobicContact CG1-CE2 3.81Å; I350-F392 HydrophobicContact CG1-CG 3.75Å; I350-F392 HydrophobicContact CG1-CZ 4Å; I350-F392 HydrophobicContact CG2-CD2 4.35Å; I350-A397 HydrophobicContact CD1-CB 3.6Å; I350-E399 HydrophobicContact CD1-CG 3.95Å; I350-V400 HydrophobicContact CD1-CG2 3.98Å; I350-V400 HydrophobicContact CG2-CG2 4.43Å
351	E	97.6	Very high	97.8	Very high	72 Å²	72	62.7 Å²	62.7	34%	0.336	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-46.8	180	-174.9	-179.4	152.3	0	0	111.8	R347 D348 M354 K355	R347-E351 PolarHBondContact O-N 3.44Å; D348-E351 PolarHBondContact O-N 3.24Å; E351-M354 PolarHBondContact O-N 2.97Å; E351-K355 WeakPolarHBondContact O-CG 3.38Å; E351-K355 PolarHBondContact O-N 2.8Å; E351-K355 WeakPolarHBondContact OE1-CE 3.43Å; E351-K355 IonicContact OE1-NZ 2.72Å; E351-K355 PolarHBondContact OE1-NZ 2.87Å
352	D	98.1	Very high	97.7	Very high	84 Å²	84	66.9 Å²	66.9	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-68.1	-38.7	-179.8	-74.8	-15.1	0	0	0	112.1	D348 M354 K355 L356	D348-D352 WeakPolarHBondContact O-CB 3.46Å; D348-D352 PolarHBondContact O-N 3.04Å; D352-M354 VanDerWaalsContact C-N 3.28Å; D352-M354 PolarHBondContact O-N 2.95Å; D352-K355 PolarHBondContact O-N 3.43Å; D352-K355 IonicContact OD1-NZ 2.68Å; D352-K355 PolarHBondContact OD1-NZ 3.2Å; D352-L356 WeakPolarHBondContact O-CG 3.23Å; D352-L356 PolarHBondContact O-N 3.41Å
353	T	98.2	Very high	97.6	Very high	15 Å²	15	67.6 Å²	67.6	9%	0.092	33%	0.328	C	S	.	.	H	α-helix	trans	-56.6	-45.8	171.4	-61.8	0	0	0	0	110.5	L349 I350 L356 I357 F392 I427 C428	L349-T353 VanDerWaalsContact O-CB 3.25Å; L349-T353 WeakPolarHBondContact O-CB 3.5Å; L349-T353 PolarHBondContact O-N 3.41Å; L349-T353 PolarHBondContact O-OG1 2.88Å; I350-T353 PolarHBondContact O-N 3.05Å; T353-L356 PolarHBondContact O-N 2.98Å; T353-I357 HydrophobicContact CG2-CD1 4.13Å; T353-I357 WeakPolarHBondContact O-CG1 3.33Å; T353-I357 PolarHBondContact O-N 3.37Å; T353-F392 HydrophobicContact CG2-CE2 3.9Å; T353-I427 HydrophobicContact CG2-CG2 3.91Å; T353-C428 WeakPolarHBondContact CG2-SG 3.5Å
354	M	98	Very high	97.6	Very high	6 Å²	6	68.7 Å²	68.7	3%	0.03	33%	0.334	C	S	.	.	H	α-helix	trans	-67.8	-38.9	180	-72.1	-67.2	-42.9	0	0	112.8	I350 E351 D352 L356 I357 V358 F387 H403 L407	I350-M354 WeakPolarHBondContact O-CB 3.24Å; I350-M354 WeakPolarHBondContact O-CG 3.33Å; I350-M354 PolarHBondContact O-N 3.43Å; E351-M354 PolarHBondContact O-N 2.97Å; D352-M354 VanDerWaalsContact C-N 3.28Å; D352-M354 PolarHBondContact O-N 2.95Å; M354-L356 VanDerWaalsContact C-N 3.29Å; M354-L356 PolarHBondContact O-N 2.98Å; M354-I357 PolarHBondContact O-N 2.83Å; M354-I357 HydrophobicContact SD-CD1 4.09Å; M354-V358 WeakPolarHBondContact O-CG2 3.28Å; M354-V358 PolarHBondContact O-N 3.13Å; M354-F387 HydrophobicContact SD-CE2 3.57Å; M354-F387 VanDerWaalsContact SD-CE2 3.57Å; M354-F387 HydrophobicContact SD-CZ 3.8Å; M354-H403 HydrophobicContact CB-CB 4.49Å; M354-H403 HydrophobicContact CE-CB 4.24Å; M354-H403 WeakPolarHBondContact CE-O 3.44Å; M354-H403 HydrophobicContact CG-CB 3.7Å; M354-H403 HydrophobicContact SD-CB 4.15Å; M354-L407 HydrophobicContact CE-CD1 4.48Å; M354-L407 HydrophobicContact CE-CD2 4.03Å; M354-L407 HydrophobicContact CE-CG 3.99Å
355	K	98.2	Very high	97.4	Very high	106 Å²	106	73 Å²	73	46%	0.461	35%	0.352	S	S	.	.	H	α-helix	trans	-59.7	-39.8	171.9	-72.9	171.3	-173.6	153	0	111.8	E351 D352 K359	E351-K355 WeakPolarHBondContact O-CG 3.38Å; E351-K355 PolarHBondContact O-N 2.8Å; E351-K355 WeakPolarHBondContact OE1-CE 3.43Å; E351-K355 IonicContact OE1-NZ 2.72Å; E351-K355 PolarHBondContact OE1-NZ 2.87Å; D352-K355 PolarHBondContact O-N 3.43Å; D352-K355 IonicContact OD1-NZ 2.68Å; D352-K355 PolarHBondContact OD1-NZ 3.2Å; K355-K359 WeakPolarHBondContact O-CB 3.31Å; K355-K359 PolarHBondContact O-N 2.9Å
356	L	98.5	Very high	97.2	Very high	86 Å²	86	71.9 Å²	71.9	45%	0.45	35%	0.352	S	S	.	.	H	α-helix	trans	-67.9	-41.7	176.7	-70.2	175.9	0	0	0	112.2	D352 T353 M354 K359 V360 I427	D352-L356 WeakPolarHBondContact O-CG 3.23Å; D352-L356 PolarHBondContact O-N 3.41Å; T353-L356 PolarHBondContact O-N 2.98Å; M354-L356 VanDerWaalsContact C-N 3.29Å; M354-L356 PolarHBondContact O-N 2.98Å; L356-K359 WeakPolarHBondContact O-CB 2.99Å; L356-K359 PolarHBondContact O-N 3.05Å; L356-V360 PolarHBondContact O-N 3.16Å; L356-I427 HydrophobicContact CB-CD1 3.88Å; L356-I427 HydrophobicContact CB-CG1 4.07Å; L356-I427 HydrophobicContact CB-CG2 3.93Å; L356-I427 HydrophobicContact CD1-CG2 4.18Å
357	I	98.3	Very high	97.2	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-48	174	-68.2	166.2	0	0	0	110.3	T353 M354 K359 V360 M361 F387 L407 A423 I424 I427	T353-I357 HydrophobicContact CG2-CD1 4.13Å; T353-I357 WeakPolarHBondContact O-CG1 3.33Å; T353-I357 PolarHBondContact O-N 3.37Å; M354-I357 PolarHBondContact O-N 2.83Å; M354-I357 HydrophobicContact SD-CD1 4.09Å; I357-K359 VanDerWaalsContact C-N 3.27Å; I357-K359 PolarHBondContact O-N 3.22Å; I357-V360 WeakPolarHBondContact O-CB 3.14Å; I357-V360 PolarHBondContact O-N 2.76Å; I357-V360 VanDerWaalsContact O-N 3.08Å; I357-M361 HydrophobicContact CG2-CG 4.29Å; I357-M361 WeakPolarHBondContact O-CG 3.45Å; I357-M361 PolarHBondContact O-N 2.98Å; I357-F387 HydrophobicContact CD1-CD2 4.48Å; I357-F387 HydrophobicContact CD1-CE2 4.03Å; I357-L407 HydrophobicContact CG2-CD2 3.98Å; I357-A423 HydrophobicContact CG2-CB 4.29Å; I357-I424 HydrophobicContact CD1-CG1 4.16Å; I357-I427 HydrophobicContact CG1-CB 4.11Å; I357-I427 HydrophobicContact CG1-CG1 4Å; I357-I427 HydrophobicContact CG1-CG2 4.4Å
358	V	98	Very high	97	Very high	41 Å²	41	73.9 Å²	73.9	25%	0.248	38%	0.375	C	S	.	.	H	α-helix	trans	-57.6	-41.3	176	168.9	0	0	0	0	111.4	M354 V360 M361 N362 T406	M354-V358 WeakPolarHBondContact O-CG2 3.28Å; M354-V358 PolarHBondContact O-N 3.13Å; V358-V360 VanDerWaalsContact C-N 3.32Å; V358-V360 PolarHBondContact O-N 3.33Å; V358-M361 PolarHBondContact O-N 3.04Å; V358-N362 WeakPolarHBondContact O-CB 3.39Å; V358-N362 PolarHBondContact O-N 3.09Å; V358-N362 PolarHBondContact O-ND2 3.27Å; V358-N362 PolarHBondContact O-OD1 3.46Å; V358-T406 HydrophobicContact CG2-CG2 3.73Å
359	K	98	Very high	96.9	Very high	146 Å²	146	75 Å²	75	64%	0.635	39%	0.385	S	S	*	.	H	α-helix	trans	-63	-36.8	177	-175.9	177.9	178.9	-179.8	0	112.6	K355 L356 I357 N363	K355-K359 WeakPolarHBondContact O-CB 3.31Å; K355-K359 PolarHBondContact O-N 2.9Å; L356-K359 WeakPolarHBondContact O-CB 2.99Å; L356-K359 PolarHBondContact O-N 3.05Å; I357-K359 VanDerWaalsContact C-N 3.27Å; I357-K359 PolarHBondContact O-N 3.22Å; K359-N363 PolarHBondContact O-ND2 2.96Å
360	V	97.9	Very high	96.9	Very high	18 Å²	18	77.7 Å²	77.7	11%	0.109	39%	0.393	C	S	.	.	H	α-helix	trans	-66.3	-52	173.7	175.9	0	0	0	0	109.6	L356 I357 V358 N362 N363 A423 K426 I427	L356-V360 PolarHBondContact O-N 3.16Å; I357-V360 WeakPolarHBondContact O-CB 3.14Å; I357-V360 PolarHBondContact O-N 2.76Å; I357-V360 VanDerWaalsContact O-N 3.08Å; V358-V360 VanDerWaalsContact C-N 3.32Å; V358-V360 PolarHBondContact O-N 3.33Å; V360-N362 PolarHBondContact O-N 3.14Å; V360-N363 PolarHBondContact O-N 2.77Å; V360-N363 PolarHBondContact O-ND2 3.24Å; V360-A423 HydrophobicContact CB-CB 4.03Å; V360-A423 HydrophobicContact CG1-CB 3.65Å; V360-K426 HydrophobicContact CG1-CD 4.31Å; V360-K426 HydrophobicContact CG2-CD 4.12Å; V360-I427 HydrophobicContact CG2-CD1 4Å; V360-I427 HydrophobicContact CG2-CG1 4.31Å
361	M	97.8	Very high	96.9	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-58	-31.8	-179.4	-68.9	-59.3	-58.3	0	0	113.6	I357 V358 N363 E364 Y410 Y415 T419 I420 A423	I357-M361 HydrophobicContact CG2-CG 4.29Å; I357-M361 WeakPolarHBondContact O-CG 3.45Å; I357-M361 PolarHBondContact O-N 2.98Å; V358-M361 PolarHBondContact O-N 3.04Å; M361-N363 PolarHBondContact O-N 2.68Å; M361-E364 WeakPolarHBondContact O-CB 3.39Å; M361-E364 PolarHBondContact O-N 3.26Å; M361-E364 HydrophobicContact SD-CG 4.36Å; M361-Y410 HydrophobicContact CB-CE1 4.03Å; M361-Y410 HydrophobicContact CB-CE2 3.92Å; M361-Y410 WeakPolarHBondContact CB-OH 3.45Å; M361-Y410 HydrophobicContact CE-CD1 4.13Å; M361-Y410 HydrophobicContact CE-CD2 4.26Å; M361-Y410 HydrophobicContact CE-CE1 4.44Å; M361-Y410 HydrophobicContact CE-CG 4.04Å; M361-Y410 HydrophobicContact CG-CD2 4.15Å; M361-Y410 HydrophobicContact CG-CE2 3.7Å; M361-Y415 HydrophobicContact CE-CD1 3.46Å; M361-Y415 VanDerWaalsContact CE-CD1 3.46Å; M361-Y415 HydrophobicContact CE-CE1 3.82Å; M361-Y415 HydrophobicContact CE-CG 3.87Å; M361-T419 HydrophobicContact CE-CG2 4.28Å; M361-T419 HydrophobicContact SD-CG2 4.48Å; M361-I420 HydrophobicContact CE-CG1 3.86Å; M361-I420 HydrophobicContact SD-CG1 4.32Å; M361-A423 HydrophobicContact CG-CB 4.16Å; M361-A423 HydrophobicContact SD-CB 3.76Å
362	N	96.9	Very high	96.9	Very high	115 Å²	115	79.1 Å²	79.1	62%	0.615	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.5	176.2	-73.3	-12.9	0	0	0	114.3	V358 V360	V358-N362 WeakPolarHBondContact O-CB 3.39Å; V358-N362 PolarHBondContact O-N 3.09Å; V358-N362 PolarHBondContact O-ND2 3.27Å; V358-N362 PolarHBondContact O-OD1 3.46Å; V360-N362 PolarHBondContact O-N 3.14Å
363	N	95.4	Very high	96.8	Very high	133 Å²	133	76.6 Å²	76.6	71%	0.711	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.4	174	-49.1	-67.5	0	0	0	112.7	K359 V360 M361	K359-N363 PolarHBondContact O-ND2 2.96Å; V360-N363 PolarHBondContact O-N 2.77Å; V360-N363 PolarHBondContact O-ND2 3.24Å; M361-N363 PolarHBondContact O-N 2.68Å
364	E	96.1	Very high	96.7	Very high	69 Å²	69	80.5 Å²	80.5	32%	0.322	42%	0.416	S	S	.	.	S	Bend	trans	-77.1	153.1	177.5	-61.6	-57.9	140.7	0	0	110.6	M361 I366 Y415 T419	M361-E364 WeakPolarHBondContact O-CB 3.39Å; M361-E364 PolarHBondContact O-N 3.26Å; M361-E364 HydrophobicContact SD-CG 4.36Å; E364-I366 PolarHBondContact O-N 3.01Å; E364-Y415 HydrophobicContact CB-CE1 4.11Å; E364-T419 HydrophobicContact CB-CG2 4.11Å; E364-T419 HydrophobicContact CG-CG2 3.67Å
365	E	94.5	Very high	96.7	Very high	164 Å²	164	85.4 Å²	85.4	77%	0.766	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-65.7	128	176.6	-171.8	176.3	175.5	0	0	110.2	P367	E365-P367 WeakPolarHBondContact O-CD 3.5Å
366	I	94.2	Very high	96.7	Very high	124 Å²	124	80.6 Å²	80.6	64%	0.636	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-69.3	124.5	179.9	-58.7	173.8	0	0	0	108.7	E364 N368	E364-I366 PolarHBondContact O-N 3.01Å; I366-N368 PolarHBondContact O-N 2.84Å
367	P	94.9	Very high	96.7	Very high	34 Å²	34	76.9 Å²	76.9	22%	0.221	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-58.8	137.9	176.8	-21.5	29.8	0	0	0	112	E365 T369 G414 Y415	E365-P367 WeakPolarHBondContact O-CD 3.5Å; P367-T369 VanDerWaalsContact C-N 3.27Å; P367-T369 PolarHBondContact O-N 3.17Å; P367-G414 VanDerWaalsContact CG-C 3.4Å; P367-Y415 VanDerWaalsContact CD-CE2 3.48Å; P367-Y415 HydrophobicContact CG-CD1 3.97Å; P367-Y415 HydrophobicContact CG-CD2 3.73Å; P367-Y415 HydrophobicContact CG-CE1 4.17Å; P367-Y415 HydrophobicContact CG-CE2 3.95Å; P367-Y415 HydrophobicContact CG-CG 3.75Å
368	N	94.1	Very high	96.7	Very high	154 Å²	154	80.5 Å²	80.5	82%	0.824	42%	0.418	S	S	*	.	S	Bend	trans	-74.2	-16.1	179.4	-70.1	-52	0	0	0	113.7	I366	I366-N368 PolarHBondContact O-N 2.84Å
369	T	95.6	Very high	96.7	Very high	109 Å²	109	79.1 Å²	79.1	67%	0.669	41%	0.41	S	S	*	.	S	Bend	trans	-140.6	135.8	-175.6	55.8	0	0	0	0	111.1	P367	P367-T369 VanDerWaalsContact C-N 3.27Å; P367-T369 PolarHBondContact O-N 3.17Å
370	K	96.8	Very high	96.7	Very high	156 Å²	156	72.2 Å²	72.2	68%	0.678	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-65.5	149.1	172.1	-65.4	-166	176	-104.5	0	111.7	D413	K370-D413 IonicContact NZ-OD1 3.35Å; K370-D413 PolarHBondContact NZ-OD1 2.9Å
371	A	97.2	Very high	96.7	Very high	24 Å²	24	74.5 Å²	74.5	20%	0.198	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-70.8	149.3	175	0	0	0	0	0	111.9	Q375 C411 A412	A371-Q375 HydrophobicContact CB-CB 3.98Å; A371-C411 WeakPolarHBondContact CB-O 3.32Å; A371-A412 PolarHBondContact N-O 3.26Å; A371-A412 VanDerWaalsContact N-O 3.08Å
372	T	97.5	Very high	96.8	Very high	77 Å²	77	77 Å²	77	47%	0.472	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-65.6	164.2	161.9	62.7	0	0	0	0	110.5	D374 Q375 T376	T372-D374 VanDerWaalsContact C-N 3.3Å; T372-D374 PolarHBondContact O-N 2.04Å; T372-Q375 PolarHBondContact O-N 3.4Å; T372-Q375 WeakPolarHBondContact OG1-CB 3.3Å; T372-Q375 VanDerWaalsContact OG1-CD 3.3Å; T372-Q375 VanDerWaalsContact OG1-CG 3.28Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.31Å; T372-Q375 PolarHBondContact OG1-N 2.67Å; T372-Q375 PolarHBondContact OG1-OE1 2.95Å; T372-T376 WeakPolarHBondContact O-CB 3.42Å; T372-T376 PolarHBondContact O-N 2.77Å; T372-T376 PolarHBondContact O-OG1 2.87Å
373	I	96.9	Very high	96.8	Very high	32 Å²	32	71.5 Å²	71.5	16%	0.164	38%	0.377	C	S	.	.	H	α-helix	trans	-61.4	-39.3	177.8	-173.5	59.3	0	0	0	112.1	R200 I201 T376 L377	R200-I373 HydrophobicContact CB-CB 4.41Å; R200-I373 HydrophobicContact CB-CG1 4.15Å; R200-I373 HydrophobicContact CB-CG2 4.44Å; I201-I373 HydrophobicContact CG2-CD1 4.48Å; I201-I373 HydrophobicContact CG2-CG1 3.47Å; I201-I373 VanDerWaalsContact CG2-CG1 3.47Å; I201-I373 HydrophobicContact CG2-CG2 4.19Å; I373-T376 WeakPolarHBondContact O-CB 3.27Å; I373-T376 PolarHBondContact O-N 3Å; I373-L377 HydrophobicContact CD1-CD1 4.48Å; I373-L377 HydrophobicContact CD1-CG 4.3Å; I373-L377 HydrophobicContact CG1-CD1 4.29Å; I373-L377 WeakPolarHBondContact O-CG 3.12Å; I373-L377 PolarHBondContact O-N 3.29Å
374	D	96.6	Very high	97	Very high	97 Å²	97	65.1 Å²	65.1	52%	0.519	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-44.9	178	-71.9	-31	0	0	0	111.2	T372 T376 L377 D378	T372-D374 VanDerWaalsContact C-N 3.3Å; T372-D374 PolarHBondContact O-N 2.04Å; D374-T376 VanDerWaalsContact C-N 3.34Å; D374-T376 PolarHBondContact O-N 2.79Å; D374-L377 PolarHBondContact O-N 3.45Å; D374-D378 PolarHBondContact O-N 2.84Å
375	Q	97.9	Very high	97.1	Very high	109 Å²	109	65.7 Å²	65.7	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-63.1	-39.8	174.5	-73.4	166.6	-41.2	0	0	112.3	A371 T372 L377 D378 C379	A371-Q375 HydrophobicContact CB-CB 3.98Å; T372-Q375 PolarHBondContact O-N 3.4Å; T372-Q375 WeakPolarHBondContact OG1-CB 3.3Å; T372-Q375 VanDerWaalsContact OG1-CD 3.3Å; T372-Q375 VanDerWaalsContact OG1-CG 3.28Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.31Å; T372-Q375 PolarHBondContact OG1-N 2.67Å; T372-Q375 PolarHBondContact OG1-OE1 2.95Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.43Å; Q375-D378 PolarHBondContact O-N 2.85Å; Q375-C379 WeakPolarHBondContact O-CB 3.17Å; Q375-C379 PolarHBondContact O-N 2.83Å
376	T	98.3	Very high	97.2	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-46	177.4	-57.4	0	0	0	0	110.2	T372 I373 D374 C379 T380 Y408 C411 A412	T372-T376 WeakPolarHBondContact O-CB 3.42Å; T372-T376 PolarHBondContact O-N 2.77Å; T372-T376 PolarHBondContact O-OG1 2.87Å; I373-T376 WeakPolarHBondContact O-CB 3.27Å; I373-T376 PolarHBondContact O-N 3Å; D374-T376 VanDerWaalsContact C-N 3.34Å; D374-T376 PolarHBondContact O-N 2.79Å; T376-C379 PolarHBondContact O-N 3.22Å; T376-T380 VanDerWaalsContact O-CB 3.3Å; T376-T380 WeakPolarHBondContact O-CB 3.22Å; T376-T380 PolarHBondContact O-N 3.28Å; T376-T380 PolarHBondContact O-OG1 2.96Å; T376-Y408 HydrophobicContact CG2-CD2 4.41Å; T376-Y408 HydrophobicContact CG2-CE1 4.21Å; T376-Y408 HydrophobicContact CG2-CE2 3.83Å; T376-C411 HydrophobicContact CG2-CB 4.18Å; T376-A412 HydrophobicContact CG2-CB 3.93Å
377	L	98.1	Very high	97.4	Very high	8 Å²	8	54 Å²	54	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-69	-39.1	-179.8	-67.7	176.8	0	0	0	112.5	A166 I201 I373 D374 Q375 T380 E381 Y408	A166-L377 HydrophobicContact CB-CD1 4.48Å; A166-L377 HydrophobicContact CB-CD2 4.25Å; I201-L377 HydrophobicContact CD1-CD1 4.01Å; I201-L377 HydrophobicContact CG2-CD1 3.8Å; I373-L377 HydrophobicContact CD1-CD1 4.48Å; I373-L377 HydrophobicContact CD1-CG 4.3Å; I373-L377 HydrophobicContact CG1-CD1 4.29Å; I373-L377 WeakPolarHBondContact O-CG 3.12Å; I373-L377 PolarHBondContact O-N 3.29Å; D374-L377 PolarHBondContact O-N 3.45Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.43Å; L377-T380 PolarHBondContact O-N 2.04Å; L377-E381 PolarHBondContact O-N 3.47Å; L377-Y408 HydrophobicContact CD2-CE2 4.47Å
378	D	98.1	Very high	97.5	Very high	75 Å²	75	54.9 Å²	54.9	40%	0.401	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-42.7	174.3	-77.2	-30.6	0	0	0	112	K167 D374 Q375 S382	K167-D378 VanDerWaalsContact CD-OD1 3.31Å; K167-D378 WeakPolarHBondContact CD-OD1 3.38Å; K167-D378 WeakPolarHBondContact CE-OD1 3.24Å; K167-D378 IonicContact NZ-OD1 2.7Å; K167-D378 PolarHBondContact NZ-OD1 3.48Å; K167-D378 IonicContact NZ-OD2 3.86Å; K167-D378 PolarHBondContact NZ-OD2 3.46Å; D374-D378 PolarHBondContact O-N 2.84Å; Q375-D378 PolarHBondContact O-N 2.85Å; D378-S382 PolarHBondContact O-N 3.49Å
379	C	98.6	Very high	97.6	Very high	12 Å²	12	51.6 Å²	51.6	8%	0.081	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-46.6	173.1	174.6	0	0	0	0	111.2	Q375 T376 E381 S382 V383 C411	Q375-C379 WeakPolarHBondContact O-CB 3.17Å; Q375-C379 PolarHBondContact O-N 2.83Å; T376-C379 PolarHBondContact O-N 3.22Å; C379-E381 PolarHBondContact O-N 3.24Å; C379-S382 PolarHBondContact O-N 2.72Å; C379-V383 VanDerWaalsContact O-CB 3.32Å; C379-V383 WeakPolarHBondContact O-CB 3.05Å; C379-V383 WeakPolarHBondContact O-CG2 3.02Å; C379-V383 PolarHBondContact O-N 3.49Å; C379-C411 HydrophobicContact CB-CB 3.56Å; C379-C411 WeakPolarHBondContact CB-SG 3.42Å; C379-C411 WeakPolarHBondContact SG-CA 3.44Å; C379-C411 WeakPolarHBondContact SG-CB 3.18Å; C379-C411 CovalentContact SG-SG 2.04Å; C379-C411 PolarHBondContact SG-SG 3.22Å
380	T	98.1	Very high	97.7	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-44.9	-177.9	-61.1	0	0	0	0	111.9	P154 T376 L377 V383 Y384 F404 Y408 C411	P154-T380 WeakPolarHBondContact O-CG2 3.46Å; T376-T380 VanDerWaalsContact O-CB 3.3Å; T376-T380 WeakPolarHBondContact O-CB 3.22Å; T376-T380 PolarHBondContact O-N 3.28Å; T376-T380 PolarHBondContact O-OG1 2.96Å; L377-T380 PolarHBondContact O-N 2.04Å; T380-V383 PolarHBondContact O-N 2.84Å; T380-Y384 WeakPolarHBondContact O-CB 3.48Å; T380-Y384 PolarHBondContact O-N 3.07Å; T380-F404 HydrophobicContact CG2-CE1 3.53Å; T380-F404 HydrophobicContact CG2-CZ 3.71Å; T380-Y408 HydrophobicContact CG2-CD2 3.8Å; T380-Y408 HydrophobicContact CG2-CE2 4.46Å; T380-Y408 VanDerWaalsContact OG1-CD2 3.27Å; T380-Y408 WeakPolarHBondContact OG1-CD2 3.32Å; T380-C411 PolarHBondContact N-SG 3.19Å; T380-C411 VanDerWaalsContact N-SG 3.43Å
381	E	98.1	Very high	97.7	Very high	66 Å²	66	44.4 Å²	44.4	31%	0.308	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-50	177.8	-177.5	168.6	162.6	0	0	110.9	Y165 L377 C379 V383 Y384 E385	Y165-E381 HydrophobicContact CD1-CB 4.15Å; Y165-E381 HydrophobicContact CD1-CG 3.98Å; Y165-E381 HydrophobicContact CD2-CG 3.78Å; Y165-E381 HydrophobicContact CE1-CB 4.31Å; Y165-E381 HydrophobicContact CE1-CG 4.01Å; Y165-E381 HydrophobicContact CE2-CG 3.8Å; Y165-E381 HydrophobicContact CG-CB 4.38Å; Y165-E381 HydrophobicContact CG-CG 3.87Å; L377-E381 PolarHBondContact O-N 3.47Å; C379-E381 PolarHBondContact O-N 3.24Å; E381-V383 PolarHBondContact O-N 2.76Å; E381-Y384 PolarHBondContact O-N 3.36Å; E381-E385 WeakPolarHBondContact O-CG 3.33Å; E381-E385 PolarHBondContact O-N 2.92Å
382	S	98.4	Very high	97.7	Very high	51 Å²	51	44.4 Å²	44.4	36%	0.357	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-44	177.2	-178.2	0	0	0	0	112.7	D378 C379 E385 Q386 N421	D378-S382 PolarHBondContact O-N 3.49Å; C379-S382 PolarHBondContact O-N 2.72Å; S382-E385 PolarHBondContact O-N 3.03Å; S382-Q386 PolarHBondContact O-N 3.26Å; S382-Q386 VanDerWaalsContact O-N 3.12Å; S382-N421 PolarHBondContact OG-ND2 3.45Å
383	V	98.4	Very high	97.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.3	-40.9	-179.1	169	0	0	0	0	111.7	C379 T380 E381 Q386 F387 F404 L407 A417 I420 N421 I424	C379-V383 VanDerWaalsContact O-CB 3.32Å; C379-V383 WeakPolarHBondContact O-CB 3.05Å; C379-V383 WeakPolarHBondContact O-CG2 3.02Å; C379-V383 PolarHBondContact O-N 3.49Å; T380-V383 PolarHBondContact O-N 2.84Å; E381-V383 PolarHBondContact O-N 2.76Å; V383-Q386 PolarHBondContact O-N 2.97Å; V383-F387 VanDerWaalsContact O-CB 3.31Å; V383-F387 WeakPolarHBondContact O-CB 3.28Å; V383-F387 PolarHBondContact O-N 2.92Å; V383-F404 HydrophobicContact CG1-CE2 4.18Å; V383-L407 HydrophobicContact CG1-CB 3.91Å; V383-L407 HydrophobicContact CG1-CD1 3.94Å; V383-L407 HydrophobicContact CG1-CG 4.45Å; V383-A417 HydrophobicContact CG2-CB 4.06Å; V383-I420 HydrophobicContact CB-CG2 4.44Å; V383-I420 HydrophobicContact CG1-CG2 3.65Å; V383-I420 HydrophobicContact CG2-CB 3.85Å; V383-I420 HydrophobicContact CG2-CD1 3.95Å; V383-I420 HydrophobicContact CG2-CG2 3.82Å; V383-N421 WeakPolarHBondContact CA-OD1 3.39Å; V383-I424 HydrophobicContact CG1-CD1 3.89Å
384	Y	98.2	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-40.2	176.4	-171.5	-97	0	0	0	111.8	L156 E163 Y165 T380 E381 Q386 F387 K388 L394 F404	L156-Y384 HydrophobicContact CD2-CD1 3.72Å; L156-Y384 HydrophobicContact CD2-CD2 3.66Å; L156-Y384 HydrophobicContact CD2-CE1 3.94Å; L156-Y384 HydrophobicContact CD2-CE2 3.89Å; L156-Y384 HydrophobicContact CD2-CG 3.57Å; E163-Y384 HydrophobicContact CG-CD1 4.49Å; E163-Y384 HydrophobicContact CG-CE1 3.58Å; E163-Y384 WeakPolarHBondContact OE1-CE1 3.26Å; E163-Y384 PolarHBondContact OE1-OH 3.45Å; E163-Y384 VanDerWaalsContact OE1-OH 3.05Å; Y165-Y384 HydrophobicContact CE1-CD1 4.04Å; Y165-Y384 HydrophobicContact CE1-CG 4.49Å; Y165-Y384 WeakPolarHBondContact OH-CD1 3.41Å; T380-Y384 WeakPolarHBondContact O-CB 3.48Å; T380-Y384 PolarHBondContact O-N 3.07Å; E381-Y384 PolarHBondContact O-N 3.36Å; Y384-Q386 VanDerWaalsContact C-N 3.31Å; Y384-Q386 PolarHBondContact O-N 3.05Å; Y384-F387 PolarHBondContact O-N 3.24Å; Y384-K388 HydrophobicContact CD1-CD 3.99Å; Y384-K388 HydrophobicContact CE1-CB 4.24Å; Y384-K388 HydrophobicContact CE1-CD 3.66Å; Y384-K388 HydrophobicContact CE1-CG 4.44Å; Y384-K388 WeakPolarHBondContact O-CB 3.43Å; Y384-K388 WeakPolarHBondContact O-CG 3.19Å; Y384-K388 PolarHBondContact O-N 3.3Å; Y384-L394 VanDerWaalsContact OH-CB 3.3Å; Y384-L394 WeakPolarHBondContact OH-CB 3.22Å; Y384-L394 PolarHBondContact OH-N 3.45Å; Y384-F404 HydrophobicContact CD2-CD1 4.22Å; Y384-F404 AromaticContact CD2-CD2 3.73Å; Y384-F404 HydrophobicContact CD2-CD2 3.73Å; Y384-F404 HydrophobicContact CD2-CE1 4.07Å; Y384-F404 AromaticContact CD2-CE2 3.61Å; Y384-F404 HydrophobicContact CD2-CE2 3.61Å; Y384-F404 HydrophobicContact CD2-CG 4.07Å; Y384-F404 AromaticContact CD2-CZ 3.81Å; Y384-F404 HydrophobicContact CD2-CZ 3.81Å; Y384-F404 HydrophobicContact CG-CE2 4.13Å; Y384-F404 HydrophobicContact CG-CZ 4.09Å
385	E	98	Very high	97.4	Very high	81 Å²	81	39.1 Å²	39.1	38%	0.379	20%	0.204	S	C	.	.	H	α-helix	trans	-58.2	-42.9	174.4	-72.9	-65.8	149.5	0	0	111.7	Y165 E381 S382 K388 S389	Y165-E385 VanDerWaalsContact OH-CD 3.32Å; Y165-E385 PolarHBondContact OH-OE1 2.92Å; E381-E385 WeakPolarHBondContact O-CG 3.33Å; E381-E385 PolarHBondContact O-N 2.92Å; S382-E385 PolarHBondContact O-N 3.03Å; E385-K388 WeakPolarHBondContact O-CG 3.09Å; E385-K388 WeakPolarHBondContact OE1-CE 3.29Å; E385-K388 IonicContact OE1-NZ 2.67Å; E385-K388 PolarHBondContact OE1-NZ 3.27Å; E385-K388 WeakPolarHBondContact OE2-CE 3.41Å; E385-K388 IonicContact OE2-NZ 3.64Å; E385-K388 PolarHBondContact OE2-NZ 2.92Å; E385-K388 VanDerWaalsContact OE2-NZ 3.17Å; E385-S389 VanDerWaalsContact O-CB 3.26Å; E385-S389 WeakPolarHBondContact O-CB 3.4Å; E385-S389 PolarHBondContact O-N 3.25Å; E385-S389 VanDerWaalsContact O-N 3.13Å
386	Q	98.1	Very high	97.2	Very high	42 Å²	42	38.6 Å²	38.6	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-45.3	174.5	-171.2	66.4	35.5	0	0	111.9	S382 V383 Y384 S389 K390 N421 I424 I425	S382-Q386 PolarHBondContact O-N 3.26Å; S382-Q386 VanDerWaalsContact O-N 3.12Å; V383-Q386 PolarHBondContact O-N 2.97Å; Y384-Q386 VanDerWaalsContact C-N 3.31Å; Y384-Q386 PolarHBondContact O-N 3.05Å; Q386-S389 PolarHBondContact O-N 3.49Å; Q386-K390 PolarHBondContact O-N 3.42Å; Q386-N421 HydrophobicContact CB-CB 4.37Å; Q386-N421 WeakPolarHBondContact CB-OD1 3.45Å; Q386-N421 HydrophobicContact CG-CB 3.92Å; Q386-I424 HydrophobicContact CG-CB 4.33Å; Q386-I424 HydrophobicContact CG-CG2 3.91Å; Q386-I425 HydrophobicContact CG-CG1 4.42Å
387	F	97.8	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-45.7	-178.2	-170.7	-94.3	0	0	0	111.8	M354 I357 V383 Y384 S389 K390 C391 F392 V400 L407 I424	M354-F387 HydrophobicContact SD-CE2 3.57Å; M354-F387 VanDerWaalsContact SD-CE2 3.57Å; M354-F387 HydrophobicContact SD-CZ 3.8Å; I357-F387 HydrophobicContact CD1-CD2 4.48Å; I357-F387 HydrophobicContact CD1-CE2 4.03Å; V383-F387 VanDerWaalsContact O-CB 3.31Å; V383-F387 WeakPolarHBondContact O-CB 3.28Å; V383-F387 PolarHBondContact O-N 2.92Å; Y384-F387 PolarHBondContact O-N 3.24Å; F387-S389 VanDerWaalsContact C-N 3.31Å; F387-S389 PolarHBondContact O-N 3.37Å; F387-K390 PolarHBondContact O-N 3.48Å; F387-C391 HydrophobicContact CD1-CB 4.41Å; F387-C391 HydrophobicContact CD2-CB 4.03Å; F387-C391 HydrophobicContact CE1-CB 4.18Å; F387-C391 HydrophobicContact CE2-CB 3.79Å; F387-C391 HydrophobicContact CG-CB 4.35Å; F387-C391 HydrophobicContact CZ-CB 3.89Å; F387-C391 WeakPolarHBondContact O-CA 3.3Å; F387-C391 WeakPolarHBondContact O-CB 3.28Å; F387-C391 PolarHBondContact O-N 3Å; F387-F392 WeakPolarHBondContact CD1-O 3.46Å; F387-F392 HydrophobicContact CE1-CB 4.16Å; F387-F392 HydrophobicContact CE1-CD2 4.24Å; F387-F392 AromaticContact CZ-CD2 3.94Å; F387-F392 HydrophobicContact CZ-CD2 3.94Å; F387-F392 PolarHBondContact O-N 2.67Å; F387-V400 HydrophobicContact CD1-CG1 4.31Å; F387-V400 HydrophobicContact CE1-CG1 3.74Å; F387-L407 HydrophobicContact CB-CD1 4.45Å; F387-L407 HydrophobicContact CD2-CD1 3.67Å; F387-L407 HydrophobicContact CE2-CD1 4.15Å; F387-L407 HydrophobicContact CG-CD1 4.15Å; F387-I424 HydrophobicContact CB-CD1 4.19Å; F387-I424 HydrophobicContact CD2-CD1 4.23Å; F387-I424 HydrophobicContact CD2-CG1 4.33Å
388	K	96.4	Very high	96.9	Very high	52 Å²	52	38.6 Å²	38.6	23%	0.226	20%	0.202	C	C	.	.	H	α-helix	trans	-69.7	-29.5	177.9	81.3	-179	179.4	-173.3	0	112.7	E163 Y384 E385 F392 T393	E163-K388 IonicContact OE2-NZ 3.37Å; E163-K388 PolarHBondContact OE2-NZ 2.97Å; Y384-K388 HydrophobicContact CD1-CD 3.99Å; Y384-K388 HydrophobicContact CE1-CB 4.24Å; Y384-K388 HydrophobicContact CE1-CD 3.66Å; Y384-K388 HydrophobicContact CE1-CG 4.44Å; Y384-K388 WeakPolarHBondContact O-CB 3.43Å; Y384-K388 WeakPolarHBondContact O-CG 3.19Å; Y384-K388 PolarHBondContact O-N 3.3Å; E385-K388 WeakPolarHBondContact O-CG 3.09Å; E385-K388 WeakPolarHBondContact OE1-CE 3.29Å; E385-K388 IonicContact OE1-NZ 2.67Å; E385-K388 PolarHBondContact OE1-NZ 3.27Å; E385-K388 WeakPolarHBondContact OE2-CE 3.41Å; E385-K388 IonicContact OE2-NZ 3.64Å; E385-K388 PolarHBondContact OE2-NZ 2.92Å; E385-K388 VanDerWaalsContact OE2-NZ 3.17Å; K388-F392 WeakPolarHBondContact CA-O 3.45Å; K388-T393 HydrophobicContact CB-CG2 4.07Å
389	S	96.9	Very high	96.8	Very high	85 Å²	85	35.7 Å²	35.7	59%	0.594	19%	0.186	S	C	*	.	H	α-helix	trans	-73.7	-30.5	176.8	179	0	0	0	0	113.3	E385 Q386 F387	E385-S389 VanDerWaalsContact O-CB 3.26Å; E385-S389 WeakPolarHBondContact O-CB 3.4Å; E385-S389 PolarHBondContact O-N 3.25Å; E385-S389 VanDerWaalsContact O-N 3.13Å; Q386-S389 PolarHBondContact O-N 3.49Å; F387-S389 VanDerWaalsContact C-N 3.31Å; F387-S389 PolarHBondContact O-N 3.37Å
390	K	97.5	Very high	96.7	Very high	92 Å²	92	35.1 Å²	35.1	40%	0.4	18%	0.182	S	C	.	.	H	α-helix	trans	-111.3	-37.1	-172.2	-62.1	-58	-175.9	174.2	0	114.2	Q386 F387 I424 C428	Q386-K390 PolarHBondContact O-N 3.42Å; F387-K390 PolarHBondContact O-N 3.48Å; K390-I424 HydrophobicContact CB-CG2 4.27Å; K390-C428 HydrophobicContact CB-CB 3.81Å; K390-C428 WeakPolarHBondContact O-CB 3.48Å
391	C	97.2	Very high	96.5	Very high	22 Å²	22	35 Å²	35	15%	0.149	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-88.7	-173.9	-46.1	0	0	0	0	110.6	F387 C428	F387-C391 HydrophobicContact CD1-CB 4.41Å; F387-C391 HydrophobicContact CD2-CB 4.03Å; F387-C391 HydrophobicContact CE1-CB 4.18Å; F387-C391 HydrophobicContact CE2-CB 3.79Å; F387-C391 HydrophobicContact CG-CB 4.35Å; F387-C391 HydrophobicContact CZ-CB 3.89Å; F387-C391 WeakPolarHBondContact O-CA 3.3Å; F387-C391 WeakPolarHBondContact O-CB 3.28Å; F387-C391 PolarHBondContact O-N 3Å; C391-C428 HydrophobicContact CB-CB 4Å; C391-C428 WeakPolarHBondContact CB-SG 3.49Å; C391-C428 WeakPolarHBondContact SG-CB 3.46Å; C391-C428 CovalentContact SG-SG 2.04Å; C391-C428 PolarHBondContact SG-SG 2.95Å
392	F	97	Very high	96.3	Very high	25 Å²	25	33 Å²	33	11%	0.11	18%	0.178	C	C	.	.			trans	-146.2	154.1	-166.9	-47.9	-74	0	0	0	111.4	L349 I350 T353 F387 K388 V400	L349-F392 HydrophobicContact CD2-CE1 4.02Å; L349-F392 HydrophobicContact CD2-CZ 4.11Å; L349-F392 HydrophobicContact CG-CE1 4.28Å; L349-F392 HydrophobicContact CG-CZ 3.89Å; I350-F392 HydrophobicContact CB-CD2 4.35Å; I350-F392 HydrophobicContact CB-CE2 4.27Å; I350-F392 HydrophobicContact CD1-CG 4.41Å; I350-F392 HydrophobicContact CG1-CB 4.48Å; I350-F392 HydrophobicContact CG1-CD1 3.91Å; I350-F392 HydrophobicContact CG1-CD2 3.69Å; I350-F392 HydrophobicContact CG1-CE1 4.03Å; I350-F392 HydrophobicContact CG1-CE2 3.81Å; I350-F392 HydrophobicContact CG1-CG 3.75Å; I350-F392 HydrophobicContact CG1-CZ 4Å; I350-F392 HydrophobicContact CG2-CD2 4.35Å; T353-F392 HydrophobicContact CG2-CE2 3.9Å; F387-F392 WeakPolarHBondContact CD1-O 3.46Å; F387-F392 HydrophobicContact CE1-CB 4.16Å; F387-F392 HydrophobicContact CE1-CD2 4.24Å; F387-F392 AromaticContact CZ-CD2 3.94Å; F387-F392 HydrophobicContact CZ-CD2 3.94Å; F387-F392 PolarHBondContact O-N 2.67Å; K388-F392 WeakPolarHBondContact CA-O 3.45Å; F392-V400 HydrophobicContact CB-CG2 3.66Å
393	T	96.2	Very high	96.1	Very high	28 Å²	28	32.6 Å²	32.6	17%	0.172	17%	0.17	C	C	.	.			trans	-110.8	154.5	176.2	87.5	0	0	0	0	112.1	K388 Q395 Q396 A397	K388-T393 HydrophobicContact CB-CG2 4.07Å; T393-Q395 PolarHBondContact O-N 3.05Å; T393-Q395 PolarHBondContact OG1-N 3.22Å; T393-Q395 PolarHBondContact OG1-OE1 3.16Å; T393-Q395 VanDerWaalsContact OG1-OE1 3.11Å; T393-Q396 WeakPolarHBondContact O-CB 3.25Å; T393-Q396 PolarHBondContact O-N 3.5Å; T393-Q396 VanDerWaalsContact O-N 3.17Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.35Å; T393-Q396 PolarHBondContact OG1-N 3.38Å; T393-A397 PolarHBondContact O-N 3.11Å
394	L	95.1	Very high	96	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.4	176.2	-174.4	59.5	0	0	0	112.4	H151 L156 A158 Y384 Q396 A397	H151-L394 HydrophobicContact CB-CD1 4.45Å; H151-L394 HydrophobicContact CB-CD2 4.08Å; H151-L394 HydrophobicContact CB-CG 4.14Å; L156-L394 HydrophobicContact CD1-CD2 3.92Å; A158-L394 HydrophobicContact CB-CD2 3.94Å; Y384-L394 VanDerWaalsContact OH-CB 3.3Å; Y384-L394 WeakPolarHBondContact OH-CB 3.22Å; Y384-L394 PolarHBondContact OH-N 3.45Å; L394-Q396 VanDerWaalsContact C-N 3.35Å; L394-A397 CarbonylContact O-C 3.59Å; L394-A397 VanDerWaalsContact O-C 3.3Å; L394-A397 PolarHBondContact O-N 3.16Å
395	Q	93.9	Very high	95.8	Very high	64 Å²	64	33.8 Å²	33.8	30%	0.299	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-30.9	178.1	-58.1	78.3	5.9	0	0	112.1	F159 P160 D162 E163 T393	F159-Q395 PolarHBondContact O-NE2 3.08Å; P160-Q395 WeakPolarHBondContact O-CG 3.25Å; D162-Q395 PolarHBondContact O-NE2 3.21Å; D162-Q395 VanDerWaalsContact O-NE2 3.12Å; E163-Q395 PolarHBondContact OE1-NE2 2.99Å; E163-Q395 PolarHBondContact OE1-OE1 3.22Å; T393-Q395 PolarHBondContact O-N 3.05Å; T393-Q395 PolarHBondContact OG1-N 3.22Å; T393-Q395 PolarHBondContact OG1-OE1 3.16Å; T393-Q395 VanDerWaalsContact OG1-OE1 3.11Å
396	Q	93	Very high	95.8	Very high	99 Å²	99	32.3 Å²	32.3	46%	0.463	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-41.4	174.2	-71.9	171.5	-19.6	0	0	111.2	R346 T393 L394	R346-Q396 PolarHBondContact NH1-O 3.37Å; R346-Q396 PolarHBondContact NH2-O 3.26Å; T393-Q396 WeakPolarHBondContact O-CB 3.25Å; T393-Q396 PolarHBondContact O-N 3.5Å; T393-Q396 VanDerWaalsContact O-N 3.17Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.35Å; T393-Q396 PolarHBondContact OG1-N 3.38Å; L394-Q396 VanDerWaalsContact C-N 3.35Å
397	A	95.1	Very high	95.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	17%	0.166	C	C	.	.			trans	-155.3	106.5	-167.1	0	0	0	0	0	110.8	I350 T393 L394 E399 V400	I350-A397 HydrophobicContact CD1-CB 3.6Å; T393-A397 PolarHBondContact O-N 3.11Å; L394-A397 CarbonylContact O-C 3.59Å; L394-A397 VanDerWaalsContact O-C 3.3Å; L394-A397 PolarHBondContact O-N 3.16Å; A397-E399 HydrophobicContact CB-CG 4.2Å; A397-E399 PolarHBondContact O-N 3.38Å; A397-E399 VanDerWaalsContact O-N 3.09Å; A397-V400 HydrophobicContact CB-CG2 3.99Å; A397-V400 VanDerWaalsContact O-CB 3.23Å; A397-V400 WeakPolarHBondContact O-CB 3.4Å; A397-V400 VanDerWaalsContact O-CG2 3.28Å; A397-V400 WeakPolarHBondContact O-CG2 3.48Å; A397-V400 PolarHBondContact O-N 2.87Å
398	P	95.2	Very high	95.8	Very high	11 Å²	11	31.4 Å²	31.4	7%	0.071	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-28.3	179.8	-31.5	39.6	0	0	0	114.9	R313 P316 V400 G401	R313-P398 HydrophobicContact CG-CB 4.42Å; P316-P398 HydrophobicContact CG-CG 4.02Å; P398-V400 PolarHBondContact O-N 3.26Å; P398-G401 PolarHBondContact O-N 2.9Å; P398-G401 VanDerWaalsContact O-N 3.14Å
399	E	95.2	Very high	95.9	Very high	15 Å²	15	32.9 Å²	32.9	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-23.3	175.1	61.5	-90.4	-149.7	0	0	113.6	R347 I350 A397 G401 G402 H403	R347-E399 HydrophobicContact CG-CG 4.39Å; I350-E399 HydrophobicContact CD1-CG 3.95Å; A397-E399 HydrophobicContact CB-CG 4.2Å; A397-E399 PolarHBondContact O-N 3.38Å; A397-E399 VanDerWaalsContact O-N 3.09Å; E399-G401 PolarHBondContact O-N 2.83Å; E399-G402 PolarHBondContact O-N 3.48Å; E399-H403 PolarHBondContact O-CD2 2.83Å; E399-H403 PolarHBondContact O-N 3.21Å
400	V	96.9	Very high	95.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-53.6	-41.4	172.6	168.9	0	0	0	0	110.9	I350 F387 F392 A397 P398 G402 H403 F404	I350-V400 HydrophobicContact CD1-CG2 3.98Å; I350-V400 HydrophobicContact CG2-CG2 4.43Å; F387-V400 HydrophobicContact CD1-CG1 4.31Å; F387-V400 HydrophobicContact CE1-CG1 3.74Å; F392-V400 HydrophobicContact CB-CG2 3.66Å; A397-V400 HydrophobicContact CB-CG2 3.99Å; A397-V400 VanDerWaalsContact O-CB 3.23Å; A397-V400 WeakPolarHBondContact O-CB 3.4Å; A397-V400 VanDerWaalsContact O-CG2 3.28Å; A397-V400 WeakPolarHBondContact O-CG2 3.48Å; A397-V400 PolarHBondContact O-N 2.87Å; P398-V400 PolarHBondContact O-N 3.26Å; V400-G402 PolarHBondContact O-N 3.43Å; V400-H403 PolarHBondContact O-N 3.29Å; V400-F404 VanDerWaalsContact O-CB 3.31Å; V400-F404 WeakPolarHBondContact O-CB 3.41Å; V400-F404 PolarHBondContact O-N 3.31Å
401	G	94	Very high	96	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-33.9	179.8	0	0	0	0	0	113.1	P398 E399 F404	P398-G401 PolarHBondContact O-N 2.9Å; P398-G401 VanDerWaalsContact O-N 3.14Å; E399-G401 PolarHBondContact O-N 2.83Å; G401-F404 PolarHBondContact O-N 3.29Å
402	G	93.4	Very high	96	Very high	22 Å²	22	25.9 Å²	25.9	23%	0.227	14%	0.141	C	C	.	.	H	α-helix	trans	-73.9	-38.9	178.5	0	0	0	0	0	113	R313 E399 V400 F404 S405	R313-G402 VanDerWaalsContact CZ-N 3.3Å; E399-G402 PolarHBondContact O-N 3.48Å; V400-G402 PolarHBondContact O-N 3.43Å; G402-F404 VanDerWaalsContact C-N 3.32Å; G402-S405 WeakPolarHBondContact O-CB 3.49Å; G402-S405 PolarHBondContact O-N 3.38Å; G402-S405 PolarHBondContact O-OG 2.83Å
403	H	94.6	Very high	96	Very high	44 Å²	44	27.8 Å²	27.8	20%	0.204	15%	0.153	C	C	.	.	H	α-helix	trans	-71.2	-30.9	173.1	-70.5	-67.5	0	0	0	112.6	M354 E399 V400 S405 T406	M354-H403 HydrophobicContact CB-CB 4.49Å; M354-H403 HydrophobicContact CE-CB 4.24Å; M354-H403 WeakPolarHBondContact CE-O 3.44Å; M354-H403 HydrophobicContact CG-CB 3.7Å; M354-H403 HydrophobicContact SD-CB 4.15Å; E399-H403 PolarHBondContact O-CD2 2.83Å; E399-H403 PolarHBondContact O-N 3.21Å; V400-H403 PolarHBondContact O-N 3.29Å; H403-S405 PolarHBondContact O-N 2.99Å; H403-T406 WeakPolarHBondContact O-CB 3.43Å; H403-T406 PolarHBondContact O-N 3.4Å; H403-T406 PolarHBondContact O-OG1 3.24Å
404	F	95.6	Very high	96.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-24.2	178.2	-169.7	-106.6	0	0	0	112.6	A153 L156 T380 V383 Y384 V400 G401 G402 T406 L407 Y408	A153-F404 HydrophobicContact CB-CB 4.46Å; A153-F404 HydrophobicContact CB-CD1 4.01Å; L156-F404 HydrophobicContact CD2-CE1 4.46Å; T380-F404 HydrophobicContact CG2-CE1 3.53Å; T380-F404 HydrophobicContact CG2-CZ 3.71Å; V383-F404 HydrophobicContact CG1-CE2 4.18Å; Y384-F404 HydrophobicContact CD2-CD1 4.22Å; Y384-F404 AromaticContact CD2-CD2 3.73Å; Y384-F404 HydrophobicContact CD2-CD2 3.73Å; Y384-F404 HydrophobicContact CD2-CE1 4.07Å; Y384-F404 AromaticContact CD2-CE2 3.61Å; Y384-F404 HydrophobicContact CD2-CE2 3.61Å; Y384-F404 HydrophobicContact CD2-CG 4.07Å; Y384-F404 AromaticContact CD2-CZ 3.81Å; Y384-F404 HydrophobicContact CD2-CZ 3.81Å; Y384-F404 HydrophobicContact CG-CE2 4.13Å; Y384-F404 HydrophobicContact CG-CZ 4.09Å; V400-F404 VanDerWaalsContact O-CB 3.31Å; V400-F404 WeakPolarHBondContact O-CB 3.41Å; V400-F404 PolarHBondContact O-N 3.31Å; G401-F404 PolarHBondContact O-N 3.29Å; G402-F404 VanDerWaalsContact C-N 3.32Å; F404-T406 PolarHBondContact O-N 3.49Å; F404-L407 HydrophobicContact CD2-CB 4.14Å; F404-L407 HydrophobicContact CD2-CD1 3.89Å; F404-L407 HydrophobicContact CD2-CG 4.42Å; F404-L407 HydrophobicContact CE2-CB 4.04Å; F404-L407 HydrophobicContact CE2-CD1 4.02Å; F404-L407 PolarHBondContact O-N 3.07Å; F404-Y408 PolarHBondContact O-N 3.23Å
405	S	95.6	Very high	96.3	Very high	24 Å²	24	28.9 Å²	28.9	17%	0.168	16%	0.161	C	C	.	.	H	α-helix	trans	-55.2	-31.9	171.1	-52.7	0	0	0	0	113.5	P154 G402 H403 N409	P154-S405 WeakPolarHBondContact CG-OG 3.37Å; G402-S405 WeakPolarHBondContact O-CB 3.49Å; G402-S405 PolarHBondContact O-N 3.38Å; G402-S405 PolarHBondContact O-OG 2.83Å; H403-S405 PolarHBondContact O-N 2.99Å; S405-N409 WeakPolarHBondContact O-CB 3.41Å; S405-N409 PolarHBondContact O-N 3.24Å; S405-N409 PolarHBondContact O-ND2 3.44Å
406	T	97.2	Very high	96.5	Very high	50 Å²	50	29.5 Å²	29.5	31%	0.307	17%	0.169	S	C	.	.	H	α-helix	trans	-65.4	-43.1	174.6	-57.5	0	0	0	0	111.6	V358 H403 F404 N409 Y410	V358-T406 HydrophobicContact CG2-CG2 3.73Å; H403-T406 WeakPolarHBondContact O-CB 3.43Å; H403-T406 PolarHBondContact O-N 3.4Å; H403-T406 PolarHBondContact O-OG1 3.24Å; F404-T406 PolarHBondContact O-N 3.49Å; T406-N409 PolarHBondContact O-N 3.25Å; T406-Y410 HydrophobicContact CG2-CD2 4.47Å; T406-Y410 HydrophobicContact CG2-CE2 3.87Å; T406-Y410 WeakPolarHBondContact O-CD2 3.38Å; T406-Y410 PolarHBondContact O-N 2.87Å; T406-Y410 VanDerWaalsContact O-N 3.16Å
407	L	97.9	Very high	96.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.9	-39.7	179.1	-58.2	-175.7	0	0	0	111.7	M354 I357 V383 F387 F404 N409 Y410 C411 I420 I424	M354-L407 HydrophobicContact CE-CD1 4.48Å; M354-L407 HydrophobicContact CE-CD2 4.03Å; M354-L407 HydrophobicContact CE-CG 3.99Å; I357-L407 HydrophobicContact CG2-CD2 3.98Å; V383-L407 HydrophobicContact CG1-CB 3.91Å; V383-L407 HydrophobicContact CG1-CD1 3.94Å; V383-L407 HydrophobicContact CG1-CG 4.45Å; F387-L407 HydrophobicContact CB-CD1 4.45Å; F387-L407 HydrophobicContact CD2-CD1 3.67Å; F387-L407 HydrophobicContact CE2-CD1 4.15Å; F387-L407 HydrophobicContact CG-CD1 4.15Å; F404-L407 HydrophobicContact CD2-CB 4.14Å; F404-L407 HydrophobicContact CD2-CD1 3.89Å; F404-L407 HydrophobicContact CD2-CG 4.42Å; F404-L407 HydrophobicContact CE2-CB 4.04Å; F404-L407 HydrophobicContact CE2-CD1 4.02Å; F404-L407 PolarHBondContact O-N 3.07Å; L407-N409 VanDerWaalsContact C-N 3.27Å; L407-N409 PolarHBondContact O-N 3.08Å; L407-Y410 HydrophobicContact CD2-CD2 4.21Å; L407-Y410 PolarHBondContact O-N 3.15Å; L407-C411 PolarHBondContact O-N 3.39Å; L407-C411 VanDerWaalsContact O-N 3.11Å; L407-I420 HydrophobicContact CD2-CG2 4.13Å; L407-I424 HydrophobicContact CD1-CD1 4.13Å
408	Y	98	Very high	96.9	Very high	23 Å²	23	32.2 Å²	32.2	9%	0.09	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-41.6	170.7	179.8	-86.1	0	0	0	111.8	P154 T376 L377 T380 F404 Y410 C411 A412	P154-Y408 HydrophobicContact CB-CD1 4Å; P154-Y408 HydrophobicContact CB-CD2 3.41Å; P154-Y408 VanDerWaalsContact CB-CD2 3.41Å; P154-Y408 HydrophobicContact CB-CE2 4Å; P154-Y408 HydrophobicContact CB-CG 3.42Å; P154-Y408 VanDerWaalsContact CB-CG 3.42Å; P154-Y408 HydrophobicContact CG-CG 4.36Å; T376-Y408 HydrophobicContact CG2-CD2 4.41Å; T376-Y408 HydrophobicContact CG2-CE1 4.21Å; T376-Y408 HydrophobicContact CG2-CE2 3.83Å; L377-Y408 HydrophobicContact CD2-CE2 4.47Å; T380-Y408 HydrophobicContact CG2-CD2 3.8Å; T380-Y408 HydrophobicContact CG2-CE2 4.46Å; T380-Y408 VanDerWaalsContact OG1-CD2 3.27Å; T380-Y408 WeakPolarHBondContact OG1-CD2 3.32Å; F404-Y408 PolarHBondContact O-N 3.23Å; Y408-Y410 PolarHBondContact O-N 3.36Å; Y408-C411 WeakPolarHBondContact O-CB 3.44Å; Y408-C411 PolarHBondContact O-N 3.49Å; Y408-A412 HydrophobicContact CE1-CB 4.48Å; Y408-A412 PolarHBondContact O-N 3.34Å
409	N	97.6	Very high	97	Very high	83 Å²	83	33.2 Å²	33.2	44%	0.444	19%	0.191	S	C	.	.	H	α-helix	trans	-65.3	-38.1	178.2	-71.7	-23.2	0	0	0	112.3	S405 T406 L407 C411 A412 D413	S405-N409 WeakPolarHBondContact O-CB 3.41Å; S405-N409 PolarHBondContact O-N 3.24Å; S405-N409 PolarHBondContact O-ND2 3.44Å; T406-N409 PolarHBondContact O-N 3.25Å; L407-N409 VanDerWaalsContact C-N 3.27Å; L407-N409 PolarHBondContact O-N 3.08Å; N409-C411 VanDerWaalsContact C-N 3.34Å; N409-C411 PolarHBondContact O-N 2.88Å; N409-A412 PolarHBondContact O-N 3.09Å; N409-A412 VanDerWaalsContact O-N 3.16Å; N409-D413 WeakPolarHBondContact O-CB 3.48Å; N409-D413 PolarHBondContact O-N 3.26Å
410	Y	98.4	Very high	97.2	Very high	26 Å²	26	32.5 Å²	32.5	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-44.6	171.4	-68.9	-51	0	0	0	111.7	M361 T406 L407 Y408 A412 D413 G414 Y415	M361-Y410 HydrophobicContact CB-CE1 4.03Å; M361-Y410 HydrophobicContact CB-CE2 3.92Å; M361-Y410 WeakPolarHBondContact CB-OH 3.45Å; M361-Y410 HydrophobicContact CE-CD1 4.13Å; M361-Y410 HydrophobicContact CE-CD2 4.26Å; M361-Y410 HydrophobicContact CE-CE1 4.44Å; M361-Y410 HydrophobicContact CE-CG 4.04Å; M361-Y410 HydrophobicContact CG-CD2 4.15Å; M361-Y410 HydrophobicContact CG-CE2 3.7Å; T406-Y410 HydrophobicContact CG2-CD2 4.47Å; T406-Y410 HydrophobicContact CG2-CE2 3.87Å; T406-Y410 WeakPolarHBondContact O-CD2 3.38Å; T406-Y410 PolarHBondContact O-N 2.87Å; T406-Y410 VanDerWaalsContact O-N 3.16Å; L407-Y410 HydrophobicContact CD2-CD2 4.21Å; L407-Y410 PolarHBondContact O-N 3.15Å; Y408-Y410 PolarHBondContact O-N 3.36Å; Y410-A412 VanDerWaalsContact C-N 3.31Å; Y410-A412 PolarHBondContact O-N 2.84Å; Y410-D413 PolarHBondContact O-N 3.43Å; Y410-G414 PolarHBondContact O-N 3.3Å; Y410-Y415 AromaticContact CD1-CD2 3.84Å; Y410-Y415 HydrophobicContact CD1-CD2 3.84Å; Y410-Y415 AromaticContact CD1-CE2 3.73Å; Y410-Y415 HydrophobicContact CD1-CE2 3.73Å; Y410-Y415 HydrophobicContact CD1-CG 4.5Å; Y410-Y415 HydrophobicContact CE1-CE2 4.42Å; Y410-Y415 HydrophobicContact CG-CD2 4.35Å; Y410-Y415 WeakPolarHBondContact O-CB 3.3Å; Y410-Y415 VanDerWaalsContact O-CD2 3.32Å; Y410-Y415 WeakPolarHBondContact O-CD2 3.44Å; Y410-Y415 PolarHBondContact O-N 2.99Å; Y410-Y415 VanDerWaalsContact O-N 3.07Å
411	C	98.4	Very high	97.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-43.5	173	-71.9	0	0	0	0	112.1	A371 T376 C379 T380 L407 Y408 N409 D413 G414	A371-C411 WeakPolarHBondContact CB-O 3.32Å; T376-C411 HydrophobicContact CG2-CB 4.18Å; C379-C411 HydrophobicContact CB-CB 3.56Å; C379-C411 WeakPolarHBondContact CB-SG 3.42Å; C379-C411 WeakPolarHBondContact SG-CA 3.44Å; C379-C411 WeakPolarHBondContact SG-CB 3.18Å; C379-C411 CovalentContact SG-SG 2.04Å; C379-C411 PolarHBondContact SG-SG 3.22Å; T380-C411 PolarHBondContact N-SG 3.19Å; T380-C411 VanDerWaalsContact N-SG 3.43Å; L407-C411 PolarHBondContact O-N 3.39Å; L407-C411 VanDerWaalsContact O-N 3.11Å; Y408-C411 WeakPolarHBondContact O-CB 3.44Å; Y408-C411 PolarHBondContact O-N 3.49Å; N409-C411 VanDerWaalsContact C-N 3.34Å; N409-C411 PolarHBondContact O-N 2.88Å; C411-D413 VanDerWaalsContact C-N 3.35Å; C411-D413 PolarHBondContact O-N 2.69Å; C411-G414 PolarHBondContact O-N 3.23Å
412	A	97.7	Very high	97.4	Very high	25 Å²	25	38.5 Å²	38.5	21%	0.207	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-33.2	179.2	0	0	0	0	0	113.2	A371 T376 Y408 N409 Y410 G414	A371-A412 PolarHBondContact N-O 3.26Å; A371-A412 VanDerWaalsContact N-O 3.08Å; T376-A412 HydrophobicContact CG2-CB 3.93Å; Y408-A412 HydrophobicContact CE1-CB 4.48Å; Y408-A412 PolarHBondContact O-N 3.34Å; N409-A412 PolarHBondContact O-N 3.09Å; N409-A412 VanDerWaalsContact O-N 3.16Å; Y410-A412 VanDerWaalsContact C-N 3.31Å; Y410-A412 PolarHBondContact O-N 2.84Å; A412-G414 PolarHBondContact O-N 3.4Å
413	D	97.9	Very high	97.7	Very high	65 Å²	65	37.6 Å²	37.6	35%	0.348	21%	0.206	S	C	.	.	H	α-helix	trans	-77.1	-5.2	176.8	-75.3	-26.5	0	0	0	113.2	K370 N409 Y410 C411 Y415	K370-D413 IonicContact NZ-OD1 3.35Å; K370-D413 PolarHBondContact NZ-OD1 2.9Å; N409-D413 WeakPolarHBondContact O-CB 3.48Å; N409-D413 PolarHBondContact O-N 3.26Å; Y410-D413 PolarHBondContact O-N 3.43Å; C411-D413 VanDerWaalsContact C-N 3.35Å; C411-D413 PolarHBondContact O-N 2.69Å; D413-Y415 HydrophobicContact CB-CD2 4.21Å; D413-Y415 HydrophobicContact CB-CE2 4.24Å
414	G	98	Very high	97.9	Very high	24 Å²	24	35.5 Å²	35.5	25%	0.247	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	102	7.8	171.4	0	0	0	0	0	114.9	P367 Y410 C411 A412	P367-G414 VanDerWaalsContact CG-C 3.4Å; Y410-G414 PolarHBondContact O-N 3.3Å; C411-G414 PolarHBondContact O-N 3.23Å; A412-G414 PolarHBondContact O-N 3.4Å
415	Y	98.4	Very high	98	Very high	29 Å²	29	39.2 Å²	39.2	11%	0.114	22%	0.216	C	C	.	.			trans	-66.5	142.5	173	-68.7	-94.1	0	0	0	109.4	M361 E364 P367 Y410 D413 T419	M361-Y415 HydrophobicContact CE-CD1 3.46Å; M361-Y415 VanDerWaalsContact CE-CD1 3.46Å; M361-Y415 HydrophobicContact CE-CE1 3.82Å; M361-Y415 HydrophobicContact CE-CG 3.87Å; E364-Y415 HydrophobicContact CB-CE1 4.11Å; P367-Y415 VanDerWaalsContact CD-CE2 3.48Å; P367-Y415 HydrophobicContact CG-CD1 3.97Å; P367-Y415 HydrophobicContact CG-CD2 3.73Å; P367-Y415 HydrophobicContact CG-CE1 4.17Å; P367-Y415 HydrophobicContact CG-CE2 3.95Å; P367-Y415 HydrophobicContact CG-CG 3.75Å; Y410-Y415 AromaticContact CD1-CD2 3.84Å; Y410-Y415 HydrophobicContact CD1-CD2 3.84Å; Y410-Y415 AromaticContact CD1-CE2 3.73Å; Y410-Y415 HydrophobicContact CD1-CE2 3.73Å; Y410-Y415 HydrophobicContact CD1-CG 4.5Å; Y410-Y415 HydrophobicContact CE1-CE2 4.42Å; Y410-Y415 HydrophobicContact CG-CD2 4.35Å; Y410-Y415 WeakPolarHBondContact O-CB 3.3Å; Y410-Y415 VanDerWaalsContact O-CD2 3.32Å; Y410-Y415 WeakPolarHBondContact O-CD2 3.44Å; Y410-Y415 PolarHBondContact O-N 2.99Å; Y410-Y415 VanDerWaalsContact O-N 3.07Å; D413-Y415 HydrophobicContact CB-CD2 4.21Å; D413-Y415 HydrophobicContact CB-CE2 4.24Å; Y415-T419 HydrophobicContact CD1-CG2 4.48Å
416	T	97.8	Very high	98.1	Very high	76 Å²	76	45.5 Å²	45.5	47%	0.466	24%	0.24	S	C	.	.			trans	-75.7	152.5	177.5	71.6	0	0	0	0	110	E418 T419 I420	T416-E418 PolarHBondContact O-N 3.3Å; T416-T419 PolarHBondContact O-N 2.98Å; T416-T419 PolarHBondContact OG1-N 3.42Å; T416-T419 PolarHBondContact OG1-OG1 3.23Å; T416-T419 VanDerWaalsContact OG1-OG1 3.09Å; T416-I420 WeakPolarHBondContact O-CG1 3.1Å; T416-I420 PolarHBondContact O-N 2.72Å
417	A	98.3	Very high	98.1	Very high	20 Å²	20	45.7 Å²	45.7	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-32.7	173.2	0	0	0	0	0	111.8	V383 N421	V383-A417 HydrophobicContact CG2-CB 4.06Å; A417-N421 WeakPolarHBondContact O-CB 3.41Å; A417-N421 PolarHBondContact O-N 2.96Å; A417-N421 PolarHBondContact O-ND2 3.38Å; A417-N421 PolarHBondContact O-OD1 3.47Å
418	E	98.2	Very high	98.1	Very high	137 Å²	137	47.1 Å²	47.1	64%	0.64	25%	0.248	S	C	*	.	H	α-helix	trans	-59.8	-54	176.8	-175.8	172.9	-164.7	0	0	111.4	T416 I420 N421 E422	T416-E418 PolarHBondContact O-N 3.3Å; E418-I420 VanDerWaalsContact C-N 3.34Å; E418-I420 PolarHBondContact O-N 3.08Å; E418-N421 PolarHBondContact O-N 3.3Å; E418-N421 VanDerWaalsContact O-N 3.15Å; E418-E422 WeakPolarHBondContact O-CG 3.41Å; E418-E422 PolarHBondContact O-N 3.35Å
419	T	98.2	Very high	97.5	Very high	32 Å²	32	50.7 Å²	50.7	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-44.7	178.6	-58	0	0	0	0	112.1	M361 E364 Y415 T416 E422 A423	M361-T419 HydrophobicContact CE-CG2 4.28Å; M361-T419 HydrophobicContact SD-CG2 4.48Å; E364-T419 HydrophobicContact CB-CG2 4.11Å; E364-T419 HydrophobicContact CG-CG2 3.67Å; Y415-T419 HydrophobicContact CD1-CG2 4.48Å; T416-T419 PolarHBondContact O-N 2.98Å; T416-T419 PolarHBondContact OG1-N 3.42Å; T416-T419 PolarHBondContact OG1-OG1 3.23Å; T416-T419 VanDerWaalsContact OG1-OG1 3.09Å; T419-E422 PolarHBondContact O-N 2.98Å; T419-A423 PolarHBondContact O-N 3.32Å
420	I	98.5	Very high	97.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.7	-41.2	178.8	-58.6	163.6	0	0	0	110.5	M361 V383 L407 T416 E418 E422 A423 I424	M361-I420 HydrophobicContact CE-CG1 3.86Å; M361-I420 HydrophobicContact SD-CG1 4.32Å; V383-I420 HydrophobicContact CB-CG2 4.44Å; V383-I420 HydrophobicContact CG1-CG2 3.65Å; V383-I420 HydrophobicContact CG2-CB 3.85Å; V383-I420 HydrophobicContact CG2-CD1 3.95Å; V383-I420 HydrophobicContact CG2-CG2 3.82Å; L407-I420 HydrophobicContact CD2-CG2 4.13Å; T416-I420 WeakPolarHBondContact O-CG1 3.1Å; T416-I420 PolarHBondContact O-N 2.72Å; E418-I420 VanDerWaalsContact C-N 3.34Å; E418-I420 PolarHBondContact O-N 3.08Å; I420-E422 PolarHBondContact O-N 2.94Å; I420-A423 WeakPolarHBondContact O-CB 3.39Å; I420-A423 PolarHBondContact O-N 3.03Å; I420-I424 HydrophobicContact CG2-CD1 4.04Å; I420-I424 WeakPolarHBondContact O-CG1 3.49Å; I420-I424 PolarHBondContact O-N 3.35Å
421	N	98.5	Very high	97.5	Very high	19 Å²	19	50.3 Å²	50.3	10%	0.102	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-35.5	179.3	-73.8	-13.7	0	0	0	112.2	S382 V383 Q386 A417 E418 A423 I424 I425	S382-N421 PolarHBondContact OG-ND2 3.45Å; V383-N421 WeakPolarHBondContact CA-OD1 3.39Å; Q386-N421 HydrophobicContact CB-CB 4.37Å; Q386-N421 WeakPolarHBondContact CB-OD1 3.45Å; Q386-N421 HydrophobicContact CG-CB 3.92Å; A417-N421 WeakPolarHBondContact O-CB 3.41Å; A417-N421 PolarHBondContact O-N 2.96Å; A417-N421 PolarHBondContact O-ND2 3.38Å; A417-N421 PolarHBondContact O-OD1 3.47Å; E418-N421 PolarHBondContact O-N 3.3Å; E418-N421 VanDerWaalsContact O-N 3.15Å; N421-A423 VanDerWaalsContact C-N 3.35Å; N421-I424 PolarHBondContact O-N 3.48Å; N421-I425 WeakPolarHBondContact O-CB 3.38Å; N421-I425 WeakPolarHBondContact O-CD1 3.49Å; N421-I425 WeakPolarHBondContact O-CG1 3.38Å; N421-I425 PolarHBondContact O-N 2.86Å
422	E	98.2	Very high	97.4	Very high	108 Å²	108	53 Å²	53	51%	0.505	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-43.4	172.1	-74.2	-179.2	166.4	0	0	111.6	E418 T419 I420 I425 K426	E418-E422 WeakPolarHBondContact O-CG 3.41Å; E418-E422 PolarHBondContact O-N 3.35Å; T419-E422 PolarHBondContact O-N 2.98Å; I420-E422 PolarHBondContact O-N 2.94Å; E422-I425 PolarHBondContact O-N 3.18Å; E422-K426 VanDerWaalsContact O-CB 3.3Å; E422-K426 WeakPolarHBondContact O-CB 3.35Å; E422-K426 PolarHBondContact O-N 2.97Å
423	A	98.3	Very high	97.4	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-42.5	174.6	0	0	0	0	0	111.9	I357 V360 M361 T419 I420 N421 K426 I427	I357-A423 HydrophobicContact CG2-CB 4.29Å; V360-A423 HydrophobicContact CB-CB 4.03Å; V360-A423 HydrophobicContact CG1-CB 3.65Å; M361-A423 HydrophobicContact CG-CB 4.16Å; M361-A423 HydrophobicContact SD-CB 3.76Å; T419-A423 PolarHBondContact O-N 3.32Å; I420-A423 WeakPolarHBondContact O-CB 3.39Å; I420-A423 PolarHBondContact O-N 3.03Å; N421-A423 VanDerWaalsContact C-N 3.35Å; A423-K426 PolarHBondContact O-N 3.2Å; A423-I427 WeakPolarHBondContact O-CG1 3.49Å; A423-I427 PolarHBondContact O-N 3.2Å
424	I	98.4	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-49	175.2	-69.9	166.8	0	0	0	111	I357 V383 Q386 F387 K390 L407 I420 N421 K426 I427 C428	I357-I424 HydrophobicContact CD1-CG1 4.16Å; V383-I424 HydrophobicContact CG1-CD1 3.89Å; Q386-I424 HydrophobicContact CG-CB 4.33Å; Q386-I424 HydrophobicContact CG-CG2 3.91Å; F387-I424 HydrophobicContact CB-CD1 4.19Å; F387-I424 HydrophobicContact CD2-CD1 4.23Å; F387-I424 HydrophobicContact CD2-CG1 4.33Å; K390-I424 HydrophobicContact CB-CG2 4.27Å; L407-I424 HydrophobicContact CD1-CD1 4.13Å; I420-I424 HydrophobicContact CG2-CD1 4.04Å; I420-I424 WeakPolarHBondContact O-CG1 3.49Å; I420-I424 PolarHBondContact O-N 3.35Å; N421-I424 PolarHBondContact O-N 3.48Å; I424-K426 VanDerWaalsContact C-N 3.31Å; I424-K426 PolarHBondContact O-N 3.42Å; I424-I427 PolarHBondContact O-N 2.9Å; I424-C428 WeakPolarHBondContact O-CB 3.45Å; I424-C428 PolarHBondContact O-N 3.3Å
425	I	98.1	Very high	97.3	Very high	79 Å²	79	56 Å²	56	41%	0.405	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-39.4	179.6	-69.4	162.5	0	0	0	110.7	Q386 N421 E422 I427 G429	Q386-I425 HydrophobicContact CG-CG1 4.42Å; N421-I425 WeakPolarHBondContact O-CB 3.38Å; N421-I425 WeakPolarHBondContact O-CD1 3.49Å; N421-I425 WeakPolarHBondContact O-CG1 3.38Å; N421-I425 PolarHBondContact O-N 2.86Å; E422-I425 PolarHBondContact O-N 3.18Å; I425-I427 VanDerWaalsContact C-N 3.25Å; I425-I427 PolarHBondContact O-N 3.05Å; I425-G429 WeakPolarHBondContact O-CA 3.37Å; I425-G429 PolarHBondContact O-N 3.36Å
426	K	97.9	Very high	97.3	Very high	155 Å²	155	57.9 Å²	57.9	67%	0.674	33%	0.334	S	S	*	.	H	α-helix	trans	-62.3	-32.9	179.2	-176.8	172.8	-178.9	174.3	0	113.1	V360 E422 A423 I424	V360-K426 HydrophobicContact CG1-CD 4.31Å; V360-K426 HydrophobicContact CG2-CD 4.12Å; E422-K426 VanDerWaalsContact O-CB 3.3Å; E422-K426 WeakPolarHBondContact O-CB 3.35Å; E422-K426 PolarHBondContact O-N 2.97Å; A423-K426 PolarHBondContact O-N 3.2Å; I424-K426 VanDerWaalsContact C-N 3.31Å; I424-K426 PolarHBondContact O-N 3.42Å
427	I	97.8	Very high	97.2	Very high	54 Å²	54	56.5 Å²	56.5	28%	0.277	32%	0.323	S	S	.	.	H	α-helix	trans	-94.8	-38.7	-176.7	-58.3	-51.6	0	0	0	112.3	T353 L356 I357 V360 A423 I424 I425	T353-I427 HydrophobicContact CG2-CG2 3.91Å; L356-I427 HydrophobicContact CB-CD1 3.88Å; L356-I427 HydrophobicContact CB-CG1 4.07Å; L356-I427 HydrophobicContact CB-CG2 3.93Å; L356-I427 HydrophobicContact CD1-CG2 4.18Å; I357-I427 HydrophobicContact CG1-CB 4.11Å; I357-I427 HydrophobicContact CG1-CG1 4Å; I357-I427 HydrophobicContact CG1-CG2 4.4Å; V360-I427 HydrophobicContact CG2-CD1 4Å; V360-I427 HydrophobicContact CG2-CG1 4.31Å; A423-I427 WeakPolarHBondContact O-CG1 3.49Å; A423-I427 PolarHBondContact O-N 3.2Å; I424-I427 PolarHBondContact O-N 2.9Å; I425-I427 VanDerWaalsContact C-N 3.25Å; I425-I427 PolarHBondContact O-N 3.05Å
428	C	97.4	Very high	97.1	Very high	30 Å²	30	59.6 Å²	59.6	20%	0.203	34%	0.337	C	S	.	.	H	α-helix	trans	-109.9	-6.4	-173.1	-56.5	0	0	0	0	114.7	T353 K390 C391 I424	T353-C428 WeakPolarHBondContact CG2-SG 3.5Å; K390-C428 HydrophobicContact CB-CB 3.81Å; K390-C428 WeakPolarHBondContact O-CB 3.48Å; C391-C428 HydrophobicContact CB-CB 4Å; C391-C428 WeakPolarHBondContact CB-SG 3.49Å; C391-C428 WeakPolarHBondContact SG-CB 3.46Å; C391-C428 CovalentContact SG-SG 2.04Å; C391-C428 PolarHBondContact SG-SG 2.95Å; I424-C428 WeakPolarHBondContact O-CB 3.45Å; I424-C428 PolarHBondContact O-N 3.3Å
429	G	86.1	Confident	97	Very high	99 Å²	99	52.5 Å²	52.5	100%	1.021	31%	0.309	S	S	*	.			trans	-83.4	0	-170.2	0	0	0	0	0	116.1	I425	I425-G429 WeakPolarHBondContact O-CA 3.37Å; I425-G429 PolarHBondContact O-N 3.36Å

Retrieved 429 of 429 residues in 190.1 ms (Link to these results)

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