A0A087YIH1_POEFO Loading...

Carnitine O-palmitoyltransferase 1, muscle isoform

Catalyzes the transfer of the acyl group of long-chain fatty acid-CoA conjugates onto carnitine, an essential step for the mitochondrial uptake of long-chain fatty acids and their subsequent beta-oxidation in the mitochondrion.

AlphaFold DB , UniProt , Accession A0A087YIH1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 787 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	37.7	Very low	218 Å²	218	107.3 Å²	107.3	100%	1.074	59%	0.588	S	S	*	*				0	-9.4	0	-74.6	-160	-107.5	0	0	114.2	E3 A4	M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.38Å; M1-A4 PolarHBondContact O-N 3.48Å
2	A	27.2	Very low	38.5	Very low	86 Å²	86	110.2 Å²	110.2	71%	0.711	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-14.8	174.1	0	0	0	0	0	115.6	A4	A2-A4 PolarHBondContact O-N 3.2Å
3	E	29.1	Very low	39.3	Very low	173 Å²	173	106.8 Å²	106.8	81%	0.808	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-18.4	173.2	-81.6	-174.4	149.2	0	0	113.5	M1	M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.38Å
4	A	29.5	Very low	39.6	Very low	69 Å²	69	106.4 Å²	106.4	57%	0.57	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-27.2	-176.2	0	0	0	0	0	113.6	M1 A2	M1-A4 PolarHBondContact O-N 3.48Å; A2-A4 PolarHBondContact O-N 3.2Å
5	H	37.8	Very low	40.7	Very low	141 Å²	141	105.9 Å²	105.9	65%	0.653	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-18	-172.4	-78.5	-84.4	0	0	0	114.8	V8	H5-V8 WeakPolarHBondContact O-CG2 3.42Å
6	Q	41.8	Very low	41.2	Very low	98 Å²	98	107.6 Å²	107.6	46%	0.458	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.4	-1.8	179.4	-74.8	-168.1	-20.4	0	0	114.2	V8 T514	Q6-V8 PolarHBondContact O-N 2.98Å; Q6-T514 PolarHBondContact NE2-OG1 3.42Å
7	A	37	Very low	41.8	Very low	41 Å²	41	110.9 Å²	110.9	34%	0.339	61%	0.606	S	S	.	*	S	Bend	trans	-86.2	66.4	161.7	0	0	0	0	0	109	G9	A7-G9 VanDerWaalsContact C-N 3.3Å; A7-G9 PolarHBondContact O-N 2.96Å
8	V	43.8	Very low	42.4	Very low	123 Å²	123	106.8 Å²	106.8	75%	0.745	59%	0.594	S	S	*	*			trans	-70.4	91.3	-179.9	-171.8	0	0	0	0	109.6	H5 Q6	H5-V8 WeakPolarHBondContact O-CG2 3.42Å; Q6-V8 PolarHBondContact O-N 2.98Å
9	G	42.4	Very low	42.8	Very low	10 Å²	10	106.3 Å²	106.3	10%	0.103	59%	0.593	C	S	.	*			trans	-150.5	28.5	153.5	0	0	0	0	0	109.5	A7 L23 S24	A7-G9 VanDerWaalsContact C-N 3.3Å; A7-G9 PolarHBondContact O-N 2.96Å; G9-L23 VanDerWaalsContact O-CA 3.31Å; G9-L23 WeakPolarHBondContact O-CA 3.32Å; G9-S24 PolarHBondContact O-N 3.27Å; G9-S24 VanDerWaalsContact O-N 3.11Å
10	F	47.5	Very low	42.9	Very low	97 Å²	97	105.1 Å²	105.1	43%	0.425	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.8	94.5	170.8	-72.9	-88.3	0	0	0	106.3	V21 L23 V27	F10-V21 HydrophobicContact CD1-CG1 4.22Å; F10-L23 HydrophobicContact CD1-CD1 3.95Å; F10-L23 HydrophobicContact CD1-CG 4.24Å; F10-L23 HydrophobicContact CE1-CD1 3.37Å; F10-L23 HydrophobicContact CE1-CD2 4.47Å; F10-L23 HydrophobicContact CE1-CG 3.9Å; F10-L23 HydrophobicContact CZ-CD1 3.99Å; F10-L23 HydrophobicContact CZ-CD2 4.34Å; F10-L23 HydrophobicContact CZ-CG 4.23Å; F10-V27 HydrophobicContact CE2-CG1 4.5Å
11	E	47.7	Very low	43.4	Very low	124 Å²	124	103.6 Å²	103.6	58%	0.579	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.8	117.9	156.6	-82.4	178.1	165.8	0	0	106.3	K22	E11-K22 HydrophobicContact CB-CB 4.31Å; E11-K22 PolarHBondContact N-O 3.44Å; E11-K22 PolarHBondContact O-N 3.12Å
12	F	47.1	Very low	44.4	Very low	142 Å²	142	99.4 Å²	99.4	62%	0.623	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107	119.1	166.5	64.2	-87.9	0	0	0	107.8	V14 V19 D20	F12-V14 HydrophobicContact CD2-CG2 4.29Å; F12-V19 HydrophobicContact CB-CG1 4.49Å; F12-D20 WeakPolarHBondContact CA-O 3.28Å
13	T	48.9	Very low	45.7	Very low	66 Å²	66	98.8 Å²	98.8	41%	0.405	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.3	173.9	-26	0	0	0	0	106.6	D20	T13-D20 PolarHBondContact N-O 3.29Å; T13-D20 PolarHBondContact O-N 3.38Å
14	V	43.9	Very low	47.5	Very low	102 Å²	102	92.8 Å²	92.8	62%	0.618	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.2	177.8	-175.8	0	0	0	0	107.5	F12	F12-V14 HydrophobicContact CD2-CG2 4.29Å
15	H	56.5	Low	49.4	Very low	99 Å²	99	98.4 Å²	98.4	46%	0.458	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	159.1	170.2	-66.1	-71.6	0	0	0	109.6	D17 G18	H15-D17 PolarHBondContact O-N 3.49Å; H15-G18 PolarHBondContact N-O 3.03Å; H15-G18 PolarHBondContact O-N 3.27Å; H15-G18 VanDerWaalsContact O-N 3.14Å; H15-G18 VanDerWaalsContact O-O 3.12Å
16	P	48	Very low	50.8	Low	132 Å²	132	97.1 Å²	97.1	86%	0.857	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-24.6	172.9	-24.7	34.2	0	0	0	113.5
17	D	52.3	Low	52	Low	164 Å²	164	93.3 Å²	93.3	88%	0.877	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	1.5	-175	-50.5	-33.5	0	0	0	113.8	H15	H15-D17 PolarHBondContact O-N 3.49Å
18	G	51.3	Low	53.8	Low	37 Å²	37	95.8 Å²	95.8	38%	0.381	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.2	179.2	178.1	0	0	0	0	0	115.3	H15	H15-G18 PolarHBondContact N-O 3.03Å; H15-G18 PolarHBondContact O-N 3.27Å; H15-G18 VanDerWaalsContact O-N 3.14Å; H15-G18 VanDerWaalsContact O-O 3.12Å
19	V	50.9	Low	55.4	Low	97 Å²	97	96.4 Å²	96.4	59%	0.588	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.1	179.2	-176.2	0	0	0	0	109.5	F12 V21	F12-V19 HydrophobicContact CB-CG1 4.49Å; V19-V21 HydrophobicContact CG1-CG2 3.94Å
20	D	44.5	Very low	56.8	Low	82 Å²	82	98.7 Å²	98.7	44%	0.439	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.1	172.9	-165	12.2	0	0	0	109.9	F12 T13	F12-D20 WeakPolarHBondContact CA-O 3.28Å; T13-D20 PolarHBondContact N-O 3.29Å; T13-D20 PolarHBondContact O-N 3.38Å
21	V	52.8	Low	58.3	Low	74 Å²	74	97.6 Å²	97.6	45%	0.448	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	104.2	-176.6	-176.3	0	0	0	0	109.3	F10 V19 L23	F10-V21 HydrophobicContact CD1-CG1 4.22Å; V19-V21 HydrophobicContact CG1-CG2 3.94Å; V21-L23 HydrophobicContact CG1-CD1 4.15Å; V21-L23 PolarHBondContact O-N 3.06Å
22	K	51.9	Low	59.9	Low	131 Å²	131	99 Å²	99	57%	0.57	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	109.4	171.5	-79.9	-179.2	-177.3	169.6	0	110.1	E11	E11-K22 HydrophobicContact CB-CB 4.31Å; E11-K22 PolarHBondContact N-O 3.44Å; E11-K22 PolarHBondContact O-N 3.12Å
23	L	56	Low	61.5	Low	72 Å²	72	95.2 Å²	95.2	38%	0.377	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.1	177.5	-125.4	132.8	0	0	0	111	G9 F10 V21 K25 L28	G9-L23 VanDerWaalsContact O-CA 3.31Å; G9-L23 WeakPolarHBondContact O-CA 3.32Å; F10-L23 HydrophobicContact CD1-CD1 3.95Å; F10-L23 HydrophobicContact CD1-CG 4.24Å; F10-L23 HydrophobicContact CE1-CD1 3.37Å; F10-L23 HydrophobicContact CE1-CD2 4.47Å; F10-L23 HydrophobicContact CE1-CG 3.9Å; F10-L23 HydrophobicContact CZ-CD1 3.99Å; F10-L23 HydrophobicContact CZ-CD2 4.34Å; F10-L23 HydrophobicContact CZ-CG 4.23Å; V21-L23 HydrophobicContact CG1-CD1 4.15Å; V21-L23 PolarHBondContact O-N 3.06Å; L23-K25 PolarHBondContact O-N 3.13Å; L23-L28 HydrophobicContact CD2-CD1 3.87Å; L23-L28 HydrophobicContact CD2-CD2 3.41Å; L23-L28 VanDerWaalsContact CD2-CD2 3.41Å; L23-L28 HydrophobicContact CD2-CG 3.36Å
24	S	65.6	Low	62.9	Low	48 Å²	48	94 Å²	94	34%	0.336	50%	0.495	S	S	.	.			trans	-65.3	129.4	177.8	172	0	0	0	0	111.2	G9 E26 V27 L28	G9-S24 PolarHBondContact O-N 3.27Å; G9-S24 VanDerWaalsContact O-N 3.11Å; S24-E26 PolarHBondContact O-N 3.06Å; S24-E26 VanDerWaalsContact O-N 3.14Å; S24-E26 PolarHBondContact OG-N 3.36Å; S24-V27 PolarHBondContact O-N 3.43Å; S24-L28 PolarHBondContact O-N 2.82Å; S24-L28 VanDerWaalsContact O-N 3.12Å
25	K	70.4	Confident	64.7	Low	187 Å²	187	91.9 Å²	91.9	81%	0.813	48%	0.484	S	S	*	.	H	α-helix	trans	-54.3	-32.1	174	-73.9	-177	178.8	176.7	0	112.2	L23 K29	L23-K25 PolarHBondContact O-N 3.13Å; K25-K29 WeakPolarHBondContact O-CB 3.48Å; K25-K29 PolarHBondContact O-N 3.29Å
26	E	66.1	Low	66	Low	114 Å²	114	91.7 Å²	91.7	53%	0.533	49%	0.486	S	S	.	.	H	α-helix	trans	-73.1	-35.6	-179.8	-163.6	165.7	-159.3	0	0	112.1	S24 K29 N30	S24-E26 PolarHBondContact O-N 3.06Å; S24-E26 VanDerWaalsContact O-N 3.14Å; S24-E26 PolarHBondContact OG-N 3.36Å; E26-K29 PolarHBondContact O-N 3.46Å; E26-N30 WeakPolarHBondContact O-CB 3.39Å; E26-N30 PolarHBondContact O-N 2.98Å; E26-N30 PolarHBondContact O-ND2 2.91Å
27	V	68	Low	67.6	Low	18 Å²	18	87.9 Å²	87.9	11%	0.109	46%	0.461	C	S	.	.	H	α-helix	trans	-67.7	-43.5	173.3	171.1	0	0	0	0	111.1	F10 S24 K29 N30 I31	F10-V27 HydrophobicContact CE2-CG1 4.5Å; S24-V27 PolarHBondContact O-N 3.43Å; V27-K29 VanDerWaalsContact C-N 3.33Å; V27-K29 PolarHBondContact O-N 3.49Å; V27-N30 PolarHBondContact O-N 3.3Å; V27-I31 HydrophobicContact CG1-CD1 3.77Å; V27-I31 HydrophobicContact CG1-CG1 4.34Å; V27-I31 VanDerWaalsContact O-CG1 3.29Å; V27-I31 WeakPolarHBondContact O-CG1 3.49Å; V27-I31 PolarHBondContact O-N 3.23Å
28	L	74.2	Confident	69.1	Low	93 Å²	93	82.2 Å²	82.2	49%	0.487	44%	0.436	S	S	.	.	H	α-helix	trans	-57.8	-45.3	172.7	-77.1	171.7	0	0	0	112.2	L23 S24 N30 I31 Y32	L23-L28 HydrophobicContact CD2-CD1 3.87Å; L23-L28 HydrophobicContact CD2-CD2 3.41Å; L23-L28 VanDerWaalsContact CD2-CD2 3.41Å; L23-L28 HydrophobicContact CD2-CG 3.36Å; S24-L28 PolarHBondContact O-N 2.82Å; S24-L28 VanDerWaalsContact O-N 3.12Å; L28-N30 VanDerWaalsContact C-N 3.34Å; L28-N30 PolarHBondContact O-N 2.94Å; L28-I31 PolarHBondContact O-N 3.41Å; L28-Y32 WeakPolarHBondContact O-CB 2.79Å; L28-Y32 PolarHBondContact O-N 3.29Å
29	K	76.4	Confident	70.7	Confident	136 Å²	136	89.5 Å²	89.5	59%	0.591	45%	0.452	S	S	*	.	H	α-helix	trans	-59.6	-44.5	176	-176.1	-178.7	177.8	-176.6	0	111.4	K25 E26 V27 Y32 L33	K25-K29 WeakPolarHBondContact O-CB 3.48Å; K25-K29 PolarHBondContact O-N 3.29Å; E26-K29 PolarHBondContact O-N 3.46Å; V27-K29 VanDerWaalsContact C-N 3.33Å; V27-K29 PolarHBondContact O-N 3.49Å; K29-Y32 PolarHBondContact O-N 3.05Å; K29-L33 HydrophobicContact CG-CD1 4.02Å; K29-L33 HydrophobicContact CG-CG 4.48Å; K29-L33 WeakPolarHBondContact O-CB 3.44Å; K29-L33 VanDerWaalsContact O-CG 3.29Å; K29-L33 WeakPolarHBondContact O-CG 3.28Å; K29-L33 PolarHBondContact O-N 2.96Å
30	N	73.8	Confident	72.4	Confident	57 Å²	57	93.4 Å²	93.4	31%	0.305	46%	0.457	S	S	.	.	H	α-helix	trans	-66.5	-40	178.2	-76.7	-30	0	0	0	112.7	E26 V27 L28 S34	E26-N30 WeakPolarHBondContact O-CB 3.39Å; E26-N30 PolarHBondContact O-N 2.98Å; E26-N30 PolarHBondContact O-ND2 2.91Å; V27-N30 PolarHBondContact O-N 3.3Å; L28-N30 VanDerWaalsContact C-N 3.34Å; L28-N30 PolarHBondContact O-N 2.94Å; N30-S34 WeakPolarHBondContact O-CB 3.3Å; N30-S34 PolarHBondContact O-N 3.38Å
31	I	77.9	Confident	74.3	Confident	75 Å²	75	91.7 Å²	91.7	39%	0.385	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-46.5	174.1	-69.5	167.7	0	0	0	110	V27 L28 S34 S35	V27-I31 HydrophobicContact CG1-CD1 3.77Å; V27-I31 HydrophobicContact CG1-CG1 4.34Å; V27-I31 VanDerWaalsContact O-CG1 3.29Å; V27-I31 WeakPolarHBondContact O-CG1 3.49Å; V27-I31 PolarHBondContact O-N 3.23Å; L28-I31 PolarHBondContact O-N 3.41Å; I31-S34 PolarHBondContact O-N 2.88Å; I31-S35 VanDerWaalsContact O-CB 3.27Å; I31-S35 WeakPolarHBondContact O-CB 3.39Å; I31-S35 PolarHBondContact O-N 2.79Å; I31-S35 PolarHBondContact O-OG 2.75Å
32	Y	80.9	Confident	75.9	Confident	154 Å²	154	95.1 Å²	95.1	60%	0.604	45%	0.454	S	S	*	.	H	α-helix	trans	-60.3	-51.4	177.4	175.6	-98.8	0	0	0	111.9	L28 K29 S34 S35 L36	L28-Y32 WeakPolarHBondContact O-CB 2.79Å; L28-Y32 PolarHBondContact O-N 3.29Å; K29-Y32 PolarHBondContact O-N 3.05Å; Y32-S34 PolarHBondContact O-N 3.08Å; Y32-S35 PolarHBondContact O-N 3.22Å; Y32-L36 WeakPolarHBondContact O-CB 3.4Å; Y32-L36 PolarHBondContact O-N 3.15Å
33	L	80.8	Confident	77.7	Confident	61 Å²	61	91.6 Å²	91.6	32%	0.319	45%	0.449	S	S	.	.	H	α-helix	trans	-64	-40	179.5	-70.7	174.3	0	0	0	112.5	K29 T37	K29-L33 HydrophobicContact CG-CD1 4.02Å; K29-L33 HydrophobicContact CG-CG 4.48Å; K29-L33 WeakPolarHBondContact O-CB 3.44Å; K29-L33 VanDerWaalsContact O-CG 3.29Å; K29-L33 WeakPolarHBondContact O-CG 3.28Å; K29-L33 PolarHBondContact O-N 2.96Å; L33-T37 WeakPolarHBondContact O-CB 3.37Å; L33-T37 PolarHBondContact O-N 3.47Å; L33-T37 PolarHBondContact O-OG1 3.01Å
34	S	79	Confident	79.3	Confident	42 Å²	42	89.6 Å²	89.6	29%	0.294	44%	0.439	S	S	.	.	H	α-helix	trans	-62.7	-44.2	174.7	-177.2	0	0	0	0	111	N30 I31 Y32 T37 A38	N30-S34 WeakPolarHBondContact O-CB 3.3Å; N30-S34 PolarHBondContact O-N 3.38Å; I31-S34 PolarHBondContact O-N 2.88Å; Y32-S34 PolarHBondContact O-N 3.08Å; S34-T37 PolarHBondContact O-N 3.2Å; S34-A38 VanDerWaalsContact O-CB 3.3Å; S34-A38 WeakPolarHBondContact O-CB 3.3Å; S34-A38 PolarHBondContact O-N 3.31Å
35	S	81.6	Confident	80.3	Confident	57 Å²	57	90.6 Å²	90.6	40%	0.399	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-47.2	177.3	-60.1	0	0	0	0	111.7	I31 Y32 T37 A38 W39	I31-S35 VanDerWaalsContact O-CB 3.27Å; I31-S35 WeakPolarHBondContact O-CB 3.39Å; I31-S35 PolarHBondContact O-N 2.79Å; I31-S35 PolarHBondContact O-OG 2.75Å; Y32-S35 PolarHBondContact O-N 3.22Å; S35-T37 VanDerWaalsContact C-N 3.31Å; S35-T37 PolarHBondContact O-N 3.23Å; S35-A38 PolarHBondContact O-N 3.38Å; S35-W39 VanDerWaalsContact O-CD1 3.32Å; S35-W39 PolarHBondContact O-N 3.49Å
36	L	84.7	Confident	81.2	Confident	94 Å²	94	87.2 Å²	87.2	49%	0.492	43%	0.427	S	S	.	.	H	α-helix	trans	-58.7	-44.2	175.6	-172.4	79.6	0	0	0	111.2	Y32 W39 R40	Y32-L36 WeakPolarHBondContact O-CB 3.4Å; Y32-L36 PolarHBondContact O-N 3.15Å; L36-W39 PolarHBondContact O-N 2.96Å; L36-R40 WeakPolarHBondContact O-CB 3.39Å; L36-R40 PolarHBondContact O-N 3.49Å
37	T	81.7	Confident	82.5	Confident	53 Å²	53	88 Å²	88	33%	0.325	43%	0.429	S	S	.	.	H	α-helix	trans	-68.6	-37.5	179.5	-54.9	0	0	0	0	111.9	L33 S34 S35 R40 K41 G350	L33-T37 WeakPolarHBondContact O-CB 3.37Å; L33-T37 PolarHBondContact O-N 3.47Å; L33-T37 PolarHBondContact O-OG1 3.01Å; S34-T37 PolarHBondContact O-N 3.2Å; S35-T37 VanDerWaalsContact C-N 3.31Å; S35-T37 PolarHBondContact O-N 3.23Å; T37-R40 PolarHBondContact O-N 3.36Å; T37-K41 WeakPolarHBondContact O-CB 3.46Å; T37-K41 PolarHBondContact O-N 3.45Å; T37-G350 VanDerWaalsContact CG2-O 3.26Å; T37-G350 WeakPolarHBondContact CG2-O 3.37Å
38	A	82.1	Confident	83.6	Confident	44 Å²	44	88 Å²	88	36%	0.364	43%	0.428	S	S	.	.	H	α-helix	trans	-63.5	-44.5	173.8	0	0	0	0	0	111.5	S34 S35 K41 K42	S34-A38 VanDerWaalsContact O-CB 3.3Å; S34-A38 WeakPolarHBondContact O-CB 3.3Å; S34-A38 PolarHBondContact O-N 3.31Å; S35-A38 PolarHBondContact O-N 3.38Å; A38-K41 WeakPolarHBondContact O-CB 3.48Å; A38-K41 PolarHBondContact O-N 3.46Å; A38-K42 WeakPolarHBondContact O-CG 3.33Å; A38-K42 PolarHBondContact O-N 3.09Å
39	W	86.6	Confident	84.2	Confident	191 Å²	191	85.1 Å²	85.1	72%	0.723	42%	0.421	S	S	*	.	H	α-helix	trans	-60.3	-46.7	173	-89.8	103.8	0	0	0	111.9	S35 L36 K41 K42 A43	S35-W39 VanDerWaalsContact O-CD1 3.32Å; S35-W39 PolarHBondContact O-N 3.49Å; L36-W39 PolarHBondContact O-N 2.96Å; W39-K41 VanDerWaalsContact C-N 3.33Å; W39-K41 PolarHBondContact O-N 3.42Å; W39-K42 PolarHBondContact O-N 3.15Å; W39-A43 WeakPolarHBondContact O-CB 3.44Å; W39-A43 PolarHBondContact O-N 3.25Å
40	R	86.3	Confident	84.8	Confident	179 Å²	179	82.4 Å²	82.4	68%	0.675	41%	0.412	S	S	*	.	H	α-helix	trans	-61	-41.1	176	-168.7	176.2	-176.6	173.9	2.9	111.7	L36 T37 A43 I44	L36-R40 WeakPolarHBondContact O-CB 3.39Å; L36-R40 PolarHBondContact O-N 3.49Å; T37-R40 PolarHBondContact O-N 3.36Å; R40-A43 PolarHBondContact O-N 3.4Å; R40-I44 HydrophobicContact CG-CD1 4.02Å; R40-I44 WeakPolarHBondContact O-CB 3.46Å; R40-I44 VanDerWaalsContact O-CG1 3.23Å; R40-I44 WeakPolarHBondContact O-CG1 3.47Å; R40-I44 PolarHBondContact O-N 2.64Å
41	K	83.8	Confident	85.6	Confident	45 Å²	45	82.1 Å²	82.1	20%	0.196	41%	0.41	C	S	.	.	H	α-helix	trans	-61.3	-48.4	174.7	-177.6	-175.4	-179.5	-176.6	0	110.9	T37 A38 W39 I44 K45 E287 D329	T37-K41 WeakPolarHBondContact O-CB 3.46Å; T37-K41 PolarHBondContact O-N 3.45Å; A38-K41 WeakPolarHBondContact O-CB 3.48Å; A38-K41 PolarHBondContact O-N 3.46Å; W39-K41 VanDerWaalsContact C-N 3.33Å; W39-K41 PolarHBondContact O-N 3.42Å; K41-I44 PolarHBondContact O-N 2.9Å; K41-K45 WeakPolarHBondContact O-CB 3.47Å; K41-K45 WeakPolarHBondContact O-CG 3.4Å; K41-K45 PolarHBondContact O-N 2.83Å; K41-E287 WeakPolarHBondContact CE-OE2 3.38Å; K41-E287 IonicContact NZ-OE2 3.71Å; K41-E287 PolarHBondContact NZ-OE2 2.95Å; K41-D329 IonicContact NZ-OD1 2.61Å; K41-D329 PolarHBondContact NZ-OD1 3.03Å
42	K	86.4	Confident	86.1	Confident	147 Å²	147	79.8 Å²	79.8	64%	0.639	40%	0.4	S	S	*	.	H	α-helix	trans	-60.3	-45.4	177	-77.2	-179.2	174.5	-177.1	0	111.6	A38 W39 I44 K45 L46	A38-K42 WeakPolarHBondContact O-CG 3.33Å; A38-K42 PolarHBondContact O-N 3.09Å; W39-K42 PolarHBondContact O-N 3.15Å; K42-I44 PolarHBondContact O-N 2.99Å; K42-K45 PolarHBondContact O-N 2.95Å; K42-L46 WeakPolarHBondContact O-CB 3.46Å; K42-L46 PolarHBondContact O-N 2.9Å
43	A	89.9	Confident	86.4	Confident	57 Å²	57	79.1 Å²	79.1	47%	0.471	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-42.6	177.2	0	0	0	0	0	112.4	W39 R40 L46 K47	W39-A43 WeakPolarHBondContact O-CB 3.44Å; W39-A43 PolarHBondContact O-N 3.25Å; R40-A43 PolarHBondContact O-N 3.4Å; A43-L46 PolarHBondContact O-N 3.06Å; A43-K47 VanDerWaalsContact O-CB 3.26Å; A43-K47 WeakPolarHBondContact O-CB 3.29Å; A43-K47 PolarHBondContact O-N 3.37Å
44	I	89.8	Confident	86.9	Confident	30 Å²	30	76.9 Å²	76.9	15%	0.154	39%	0.391	C	S	.	.	H	α-helix	trans	-65	-44.5	175.5	-68.7	165.7	0	0	0	110.8	R40 K41 K42 K47 N48 R288	R40-I44 HydrophobicContact CG-CD1 4.02Å; R40-I44 WeakPolarHBondContact O-CB 3.46Å; R40-I44 VanDerWaalsContact O-CG1 3.23Å; R40-I44 WeakPolarHBondContact O-CG1 3.47Å; R40-I44 PolarHBondContact O-N 2.64Å; K41-I44 PolarHBondContact O-N 2.9Å; K42-I44 PolarHBondContact O-N 2.99Å; I44-K47 PolarHBondContact O-N 2.83Å; I44-N48 VanDerWaalsContact O-CB 3.3Å; I44-N48 WeakPolarHBondContact O-CB 3.41Å; I44-N48 VanDerWaalsContact O-CG 3.28Å; I44-N48 PolarHBondContact O-N 3.42Å; I44-R288 HydrophobicContact CG2-CB 4.26Å; I44-R288 HydrophobicContact CG2-CG 3.96Å
45	K	86.8	Confident	87.4	Confident	68 Å²	68	75.5 Å²	75.5	30%	0.296	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-45.7	176.3	-79.2	-173.5	172.8	-173.5	0	111.5	K41 K42 N48 G49 E287 D329	K41-K45 WeakPolarHBondContact O-CB 3.47Å; K41-K45 WeakPolarHBondContact O-CG 3.4Å; K41-K45 PolarHBondContact O-N 2.83Å; K42-K45 PolarHBondContact O-N 2.95Å; K45-N48 PolarHBondContact O-N 3.06Å; K45-G49 PolarHBondContact O-N 3.44Å; K45-E287 VanDerWaalsContact CE-O 3.28Å; K45-E287 WeakPolarHBondContact CE-O 3.36Å; K45-D329 IonicContact NZ-OD1 3.49Å
46	L	89.1	Confident	87.8	Confident	117 Å²	117	73.8 Å²	73.8	61%	0.613	37%	0.367	S	S	*	.	H	α-helix	trans	-60.4	-50	176.1	179.1	63.8	0	0	0	111	K42 A43 N48 G49 I50	K42-L46 WeakPolarHBondContact O-CB 3.46Å; K42-L46 PolarHBondContact O-N 2.9Å; A43-L46 PolarHBondContact O-N 3.06Å; L46-N48 PolarHBondContact O-N 3.39Å; L46-G49 PolarHBondContact O-N 2.96Å; L46-I50 HydrophobicContact CD1-CD1 4.09Å; L46-I50 HydrophobicContact CD1-CG1 4.43Å; L46-I50 HydrophobicContact CG-CD1 4.04Å; L46-I50 WeakPolarHBondContact O-CG1 3.45Å; L46-I50 PolarHBondContact O-N 2.94Å
47	K	91.9	Very high	88.1	Confident	131 Å²	131	70.4 Å²	70.4	57%	0.57	35%	0.352	S	S	*	.	H	α-helix	trans	-55.7	-51.2	176.4	177.4	-172.1	172	-177.5	0	111.4	A43 I44 G49 I50 L51	A43-K47 VanDerWaalsContact O-CB 3.26Å; A43-K47 WeakPolarHBondContact O-CB 3.29Å; A43-K47 PolarHBondContact O-N 3.37Å; I44-K47 PolarHBondContact O-N 2.83Å; K47-G49 VanDerWaalsContact C-N 3.33Å; K47-I50 PolarHBondContact O-N 3.26Å; K47-L51 HydrophobicContact CG-CD1 4.05Å; K47-L51 HydrophobicContact CG-CG 4.46Å; K47-L51 WeakPolarHBondContact O-CB 3.24Å; K47-L51 VanDerWaalsContact O-CG 3.26Å; K47-L51 WeakPolarHBondContact O-CG 3.33Å; K47-L51 PolarHBondContact O-N 3.47Å
48	N	91.4	Very high	88.4	Confident	16 Å²	16	70.2 Å²	70.2	9%	0.086	35%	0.353	C	S	.	.	H	α-helix	trans	-70.6	-31.9	-176.6	-70.1	-1.4	0	0	0	111.8	I44 K45 L46 L51 T52 L163 R288	I44-N48 VanDerWaalsContact O-CB 3.3Å; I44-N48 WeakPolarHBondContact O-CB 3.41Å; I44-N48 VanDerWaalsContact O-CG 3.28Å; I44-N48 PolarHBondContact O-N 3.42Å; K45-N48 PolarHBondContact O-N 3.06Å; L46-N48 PolarHBondContact O-N 3.39Å; N48-L51 PolarHBondContact O-N 2.99Å; N48-T52 VanDerWaalsContact O-CB 3.3Å; N48-T52 WeakPolarHBondContact O-CB 3.46Å; N48-T52 PolarHBondContact O-N 3.3Å; N48-T52 PolarHBondContact O-OG1 3.08Å; N48-L163 HydrophobicContact CB-CD1 3.86Å; N48-R288 WeakPolarHBondContact CB-O 3.42Å; N48-R288 PolarHBondContact ND2-O 3.43Å
49	G	88	Confident	88.7	Confident	33 Å²	33	71.1 Å²	71.1	34%	0.34	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-53.9	169.4	0	0	0	0	0	111	K45 L46 K47 L51 T52 E53	K45-G49 PolarHBondContact O-N 3.44Å; L46-G49 PolarHBondContact O-N 2.96Å; K47-G49 VanDerWaalsContact C-N 3.33Å; G49-L51 PolarHBondContact O-N 3.3Å; G49-T52 WeakPolarHBondContact O-CB 3.41Å; G49-T52 PolarHBondContact O-N 3.45Å; G49-T52 VanDerWaalsContact O-N 3.1Å; G49-E53 WeakPolarHBondContact O-CB 3.39Å; G49-E53 WeakPolarHBondContact O-CG 3.48Å; G49-E53 PolarHBondContact O-N 3.16Å
50	I	88.4	Confident	88.8	Confident	79 Å²	79	65.9 Å²	65.9	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-58	-47.5	175.9	-65.8	166.2	0	0	0	110.7	L46 K47 T52 E53 V54	L46-I50 HydrophobicContact CD1-CD1 4.09Å; L46-I50 HydrophobicContact CD1-CG1 4.43Å; L46-I50 HydrophobicContact CG-CD1 4.04Å; L46-I50 WeakPolarHBondContact O-CG1 3.45Å; L46-I50 PolarHBondContact O-N 2.94Å; K47-I50 PolarHBondContact O-N 3.26Å; I50-T52 PolarHBondContact O-N 3.41Å; I50-E53 PolarHBondContact O-N 2.88Å; I50-E53 VanDerWaalsContact O-N 3.15Å; I50-V54 HydrophobicContact CG2-CG1 4.37Å; I50-V54 WeakPolarHBondContact O-CG1 3.34Å; I50-V54 VanDerWaalsContact O-CG2 3.29Å; I50-V54 WeakPolarHBondContact O-CG2 3.45Å; I50-V54 PolarHBondContact O-N 3.34Å
51	L	89.9	Confident	89.1	Confident	51 Å²	51	59 Å²	59	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-35.9	178.3	-73	174.9	0	0	0	112.6	K47 N48 G49 Y55 P59 L163	K47-L51 HydrophobicContact CG-CD1 4.05Å; K47-L51 HydrophobicContact CG-CG 4.46Å; K47-L51 WeakPolarHBondContact O-CB 3.24Å; K47-L51 VanDerWaalsContact O-CG 3.26Å; K47-L51 WeakPolarHBondContact O-CG 3.33Å; K47-L51 PolarHBondContact O-N 3.47Å; N48-L51 PolarHBondContact O-N 2.99Å; G49-L51 PolarHBondContact O-N 3.3Å; L51-Y55 PolarHBondContact O-N 2.7Å; L51-P59 HydrophobicContact CD2-CG 3.88Å; L51-L163 HydrophobicContact CB-CD1 4.06Å; L51-L163 HydrophobicContact CD1-CD1 4.42Å
52	T	89.1	Confident	89.6	Confident	26 Å²	26	60.9 Å²	60.9	16%	0.16	33%	0.333	C	S	.	.	H	α-helix	trans	-72.2	-44.3	175.8	-59.5	0	0	0	0	110.8	N48 G49 I50 V54 Y55 R123 Y165	N48-T52 VanDerWaalsContact O-CB 3.3Å; N48-T52 WeakPolarHBondContact O-CB 3.46Å; N48-T52 PolarHBondContact O-N 3.3Å; N48-T52 PolarHBondContact O-OG1 3.08Å; G49-T52 WeakPolarHBondContact O-CB 3.41Å; G49-T52 PolarHBondContact O-N 3.45Å; G49-T52 VanDerWaalsContact O-N 3.1Å; I50-T52 PolarHBondContact O-N 3.41Å; T52-V54 VanDerWaalsContact C-N 3.29Å; T52-V54 PolarHBondContact O-N 3.27Å; T52-Y55 VanDerWaalsContact O-CB 3.28Å; T52-Y55 WeakPolarHBondContact O-CB 3.41Å; T52-Y55 PolarHBondContact O-N 2.88Å; T52-R123 PolarHBondContact O-NH2 3.16Å; T52-Y165 VanDerWaalsContact CG2-C 3.46Å; T52-Y165 WeakPolarHBondContact CG2-O 3.45Å
53	E	87.6	Confident	89.9	Confident	140 Å²	140	58.1 Å²	58.1	65%	0.654	33%	0.325	S	S	*	.	H	α-helix	trans	-68.1	-23.3	-179.2	-78.7	-172.5	173.8	0	0	114.2	G49 I50 R123	G49-E53 WeakPolarHBondContact O-CB 3.39Å; G49-E53 WeakPolarHBondContact O-CG 3.48Å; G49-E53 PolarHBondContact O-N 3.16Å; I50-E53 PolarHBondContact O-N 2.88Å; I50-E53 VanDerWaalsContact O-N 3.15Å; E53-R123 PolarHBondContact O-NH1 3.48Å; E53-R123 PolarHBondContact O-NH2 3.3Å
54	V	90.1	Very high	90	Very high	14 Å²	14	61 Å²	61	9%	0.085	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-3.9	176.7	-52.6	0	0	0	0	113	I50 T52 A57 W115 I119	I50-V54 HydrophobicContact CG2-CG1 4.37Å; I50-V54 WeakPolarHBondContact O-CG1 3.34Å; I50-V54 VanDerWaalsContact O-CG2 3.29Å; I50-V54 WeakPolarHBondContact O-CG2 3.45Å; I50-V54 PolarHBondContact O-N 3.34Å; T52-V54 VanDerWaalsContact C-N 3.29Å; T52-V54 PolarHBondContact O-N 3.27Å; V54-A57 WeakPolarHBondContact O-CA 3.33Å; V54-A57 WeakPolarHBondContact O-CB 3.44Å; V54-A57 PolarHBondContact O-N 3.35Å; V54-W115 HydrophobicContact CB-CH2 3.56Å; V54-W115 HydrophobicContact CB-CZ2 4.01Å; V54-W115 HydrophobicContact CB-CZ3 4.38Å; V54-W115 HydrophobicContact CG1-CH2 3.5Å; V54-W115 HydrophobicContact CG1-CZ2 4.43Å; V54-W115 HydrophobicContact CG1-CZ3 3.95Å; V54-W115 HydrophobicContact CG2-CH2 4.01Å; V54-W115 HydrophobicContact CG2-CZ2 4.3Å; V54-I119 HydrophobicContact CB-CD1 3.96Å
55	Y	91.1	Very high	90.1	Very high	14 Å²	14	60.8 Å²	60.8	6%	0.055	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	136.5	177.6	-167.4	-91.7	0	0	0	112	L51 T52 R123 S158 P162 S166 F167	L51-Y55 PolarHBondContact O-N 2.7Å; T52-Y55 VanDerWaalsContact O-CB 3.28Å; T52-Y55 WeakPolarHBondContact O-CB 3.41Å; T52-Y55 PolarHBondContact O-N 2.88Å; Y55-R123 PolarHBondContact O-NE 2.75Å; Y55-R123 PolarHBondContact O-NH2 3.23Å; Y55-S158 VanDerWaalsContact CZ-O 3.25Å; Y55-S158 PolarHBondContact OH-O 3.47Å; Y55-P162 HydrophobicContact CE2-CB 4.08Å; Y55-P162 WeakPolarHBondContact OH-CB 3.3Å; Y55-S166 VanDerWaalsContact CD1-O 3.3Å; Y55-S166 WeakPolarHBondContact CD1-O 3.43Å; Y55-F167 HydrophobicContact CE1-CD1 4.14Å; Y55-F167 AromaticContact CE1-CE1 3.68Å; Y55-F167 HydrophobicContact CE1-CE1 3.68Å; Y55-F167 HydrophobicContact CE1-CE2 4.25Å; Y55-F167 AromaticContact CE1-CZ 3.73Å; Y55-F167 HydrophobicContact CE1-CZ 3.73Å; Y55-F167 AromaticContact CZ-CZ 3.93Å; Y55-F167 WeakPolarHBondContact OH-CZ 3.5Å
56	P	89.6	Confident	90.5	Very high	21 Å²	21	58.3 Å²	58.3	14%	0.136	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90.3	6	12.8	34.9	-35.5	0	0	0	115.5	I122 L126 L157	P56-I122 HydrophobicContact CG-CB 4.25Å; P56-I122 HydrophobicContact CG-CG2 3.34Å; P56-L126 HydrophobicContact CG-CD1 4.19Å; P56-L157 VanDerWaalsContact CB-O 3.3Å; P56-L157 WeakPolarHBondContact CB-O 3.39Å; P56-L157 VanDerWaalsContact CG-O 3.27Å; P56-L157 WeakPolarHBondContact CG-O 3.39Å
57	A	90	Very high	90.6	Very high	22 Å²	22	57.1 Å²	57.1	18%	0.182	32%	0.315	C	S	.	.	S	Bend	trans	-76.3	175.9	172.9	0	0	0	0	0	111.4	V54 W115 I119	V54-A57 WeakPolarHBondContact O-CA 3.33Å; V54-A57 WeakPolarHBondContact O-CB 3.44Å; V54-A57 PolarHBondContact O-N 3.35Å; A57-W115 HydrophobicContact CB-CZ2 4.04Å; A57-I119 HydrophobicContact CB-CD1 3.86Å; A57-I119 HydrophobicContact CB-CG1 3.5Å
58	S	88.4	Confident	90.6	Very high	49 Å²	49	53.1 Å²	53.1	34%	0.343	31%	0.307	S	S	.	.			trans	-133.7	157.1	178.3	71.4	0	0	0	0	111.6	S60 S61 W62 W115	S58-S60 PolarHBondContact O-N 3.06Å; S58-S60 VanDerWaalsContact O-N 3.13Å; S58-S61 PolarHBondContact N-OG 3.43Å; S58-S61 VanDerWaalsContact N-OG 3.12Å; S58-S61 WeakPolarHBondContact O-CA 3.49Å; S58-S61 WeakPolarHBondContact O-CB 3.31Å; S58-S61 PolarHBondContact O-N 3.29Å; S58-S61 PolarHBondContact O-OG 3.5Å; S58-S61 PolarHBondContact OG-N 2.97Å; S58-W62 PolarHBondContact O-N 3.4Å; S58-W115 WeakPolarHBondContact O-CZ2 3.39Å
59	P	88.4	Confident	90.5	Very high	63 Å²	63	53.5 Å²	53.5	41%	0.409	31%	0.308	S	S	.	.	H	α-helix	trans	-54.4	-31.8	172.6	-27.8	35.8	0	0	0	113.3	L51 S61 W62 L63	L51-P59 HydrophobicContact CD2-CG 3.88Å; P59-S61 VanDerWaalsContact C-N 3.34Å; P59-S61 PolarHBondContact O-N 3.44Å; P59-W62 WeakPolarHBondContact O-CB 3.3Å; P59-W62 PolarHBondContact O-N 2.93Å; P59-L63 PolarHBondContact O-N 3.3Å
60	S	89.2	Confident	90.5	Very high	82 Å²	82	55 Å²	55	57%	0.573	31%	0.307	S	S	*	.	H	α-helix	trans	-65.1	-36.3	174	-50.1	0	0	0	0	112.5	S58 W62 L63 I64	S58-S60 PolarHBondContact O-N 3.06Å; S58-S60 VanDerWaalsContact O-N 3.13Å; S60-W62 VanDerWaalsContact C-N 3.34Å; S60-L63 PolarHBondContact O-N 3.33Å; S60-I64 WeakPolarHBondContact O-CG1 3.4Å; S60-I64 PolarHBondContact O-N 2.61Å; S60-I64 VanDerWaalsContact O-N 3.15Å
61	S	91.6	Very high	90.5	Very high	33 Å²	33	56.2 Å²	56.2	23%	0.231	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-33.5	175.3	68.5	0	0	0	0	112.8	S58 P59 I64 V65 W115	S58-S61 PolarHBondContact N-OG 3.43Å; S58-S61 VanDerWaalsContact N-OG 3.12Å; S58-S61 WeakPolarHBondContact O-CA 3.49Å; S58-S61 WeakPolarHBondContact O-CB 3.31Å; S58-S61 PolarHBondContact O-N 3.29Å; S58-S61 PolarHBondContact O-OG 3.5Å; S58-S61 PolarHBondContact OG-N 2.97Å; P59-S61 VanDerWaalsContact C-N 3.34Å; P59-S61 PolarHBondContact O-N 3.44Å; S61-I64 PolarHBondContact O-N 3.29Å; S61-V65 WeakPolarHBondContact O-CG2 3.42Å; S61-V65 PolarHBondContact O-N 3.46Å; S61-W115 PolarHBondContact OG-NE1 3.21Å
62	W	94	Very high	90.3	Very high	85 Å²	85	54.2 Å²	54.2	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-46.4	172.1	170.5	76.3	0	0	0	111.2	S58 P59 S60 I64 V65 V66 I108 T112 W115	S58-W62 PolarHBondContact O-N 3.4Å; P59-W62 WeakPolarHBondContact O-CB 3.3Å; P59-W62 PolarHBondContact O-N 2.93Å; S60-W62 VanDerWaalsContact C-N 3.34Å; W62-I64 VanDerWaalsContact C-N 3.26Å; W62-I64 PolarHBondContact O-N 2.94Å; W62-V65 PolarHBondContact O-N 2.85Å; W62-V65 VanDerWaalsContact O-N 3.1Å; W62-V66 HydrophobicContact CD2-CG2 4.13Å; W62-V66 HydrophobicContact CZ2-CG2 3.91Å; W62-V66 WeakPolarHBondContact O-CG2 3.48Å; W62-V66 PolarHBondContact O-N 3.18Å; W62-I108 HydrophobicContact CZ2-CG2 4.34Å; W62-T112 PolarHBondContact NE1-OG1 3.37Å; W62-W115 HydrophobicContact CB-CD2 3.72Å; W62-W115 HydrophobicContact CB-CE3 4.03Å; W62-W115 HydrophobicContact CB-CG 4.16Å; W62-W115 HydrophobicContact CB-CH2 4.09Å; W62-W115 HydrophobicContact CB-CZ2 3.83Å; W62-W115 HydrophobicContact CB-CZ3 4.21Å; W62-W115 AromaticContact CD1-CD2 3.94Å; W62-W115 AromaticContact CD1-CE3 3.74Å; W62-W115 HydrophobicContact CG-CD2 4.22Å; W62-W115 HydrophobicContact CG-CE3 4.17Å; W62-W115 HydrophobicContact CG-CZ3 4.43Å
63	L	92.8	Very high	90.1	Very high	89 Å²	89	56.2 Å²	56.2	47%	0.466	31%	0.312	S	S	.	.	H	α-helix	trans	-58.9	-39.1	177.9	-175.1	65.7	0	0	0	111.9	P59 S60 V66 I67	P59-L63 PolarHBondContact O-N 3.3Å; S60-L63 PolarHBondContact O-N 3.33Å; L63-V66 PolarHBondContact O-N 3.06Å; L63-I67 HydrophobicContact CD1-CD1 4.27Å; L63-I67 HydrophobicContact CD1-CG1 4.42Å; L63-I67 HydrophobicContact CD2-CD1 4.39Å; L63-I67 HydrophobicContact CG-CD1 3.84Å; L63-I67 HydrophobicContact CG-CG1 4.4Å; L63-I67 WeakPolarHBondContact O-CB 3.24Å; L63-I67 VanDerWaalsContact O-CG1 3.27Å; L63-I67 WeakPolarHBondContact O-CG1 3.48Å; L63-I67 PolarHBondContact O-N 2.99Å
64	I	92.9	Very high	90	Very high	117 Å²	117	59.3 Å²	59.3	60%	0.6	32%	0.319	S	S	*	.	H	α-helix	trans	-61.8	-44.6	176	-66.8	166.7	0	0	0	111	S60 S61 W62 I67 A68	S60-I64 WeakPolarHBondContact O-CG1 3.4Å; S60-I64 PolarHBondContact O-N 2.61Å; S60-I64 VanDerWaalsContact O-N 3.15Å; S61-I64 PolarHBondContact O-N 3.29Å; W62-I64 VanDerWaalsContact C-N 3.26Å; W62-I64 PolarHBondContact O-N 2.94Å; I64-I67 PolarHBondContact O-N 3.2Å; I64-A68 WeakPolarHBondContact O-CB 3.43Å; I64-A68 PolarHBondContact O-N 2.88Å
65	V	92.7	Very high	89.8	Confident	27 Å²	27	62.5 Å²	62.5	16%	0.164	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-42.9	177.1	-178.8	0	0	0	0	110.7	S61 W62 A68 M69 A111 L114	S61-V65 WeakPolarHBondContact O-CG2 3.42Å; S61-V65 PolarHBondContact O-N 3.46Å; W62-V65 PolarHBondContact O-N 2.85Å; W62-V65 VanDerWaalsContact O-N 3.1Å; V65-A68 PolarHBondContact O-N 3.41Å; V65-M69 HydrophobicContact CG1-CG 4.45Å; V65-M69 WeakPolarHBondContact O-CG 3.43Å; V65-M69 PolarHBondContact O-N 2.86Å; V65-A111 HydrophobicContact CG1-CB 4Å; V65-L114 HydrophobicContact CG1-CD2 4.24Å
66	V	93.3	Very high	89.2	Confident	16 Å²	16	65.1 Å²	65.1	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-48.9	176.6	173.2	0	0	0	0	111.1	W62 L63 A68 M69 M70 I108 A111	W62-V66 HydrophobicContact CD2-CG2 4.13Å; W62-V66 HydrophobicContact CZ2-CG2 3.91Å; W62-V66 WeakPolarHBondContact O-CG2 3.48Å; W62-V66 PolarHBondContact O-N 3.18Å; L63-V66 PolarHBondContact O-N 3.06Å; V66-A68 VanDerWaalsContact C-N 3.3Å; V66-A68 PolarHBondContact O-N 3.41Å; V66-M69 PolarHBondContact O-N 3.39Å; V66-M70 HydrophobicContact CG1-CG 4.24Å; V66-M70 WeakPolarHBondContact O-CB 3.3Å; V66-M70 VanDerWaalsContact O-CG 3.27Å; V66-M70 WeakPolarHBondContact O-CG 3.2Å; V66-M70 PolarHBondContact O-N 3.44Å; V66-I108 HydrophobicContact CG1-CG1 4.17Å; V66-A111 HydrophobicContact CB-CB 4.44Å; V66-A111 HydrophobicContact CG2-CB 3.81Å
67	I	92.8	Very high	88.6	Confident	91 Å²	91	67.8 Å²	67.8	47%	0.467	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-43	178.1	-69.2	167.8	0	0	0	110.4	L63 I64 M69 M70 M71	L63-I67 HydrophobicContact CD1-CD1 4.27Å; L63-I67 HydrophobicContact CD1-CG1 4.42Å; L63-I67 HydrophobicContact CD2-CD1 4.39Å; L63-I67 HydrophobicContact CG-CD1 3.84Å; L63-I67 HydrophobicContact CG-CG1 4.4Å; L63-I67 WeakPolarHBondContact O-CB 3.24Å; L63-I67 VanDerWaalsContact O-CG1 3.27Å; L63-I67 WeakPolarHBondContact O-CG1 3.48Å; L63-I67 PolarHBondContact O-N 2.99Å; I64-I67 PolarHBondContact O-N 3.2Å; I67-M69 PolarHBondContact O-N 3.24Å; I67-M70 PolarHBondContact O-N 3.27Å; I67-M71 HydrophobicContact CG2-CG 4.31Å; I67-M71 WeakPolarHBondContact O-CB 3.4Å; I67-M71 VanDerWaalsContact O-CG 3.29Å; I67-M71 WeakPolarHBondContact O-CG 3.37Å; I67-M71 PolarHBondContact O-N 2.9Å
68	A	90.6	Very high	88.1	Confident	48 Å²	48	70.7 Å²	70.7	40%	0.397	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-43.7	177.3	0	0	0	0	0	112.3	I64 V65 V66 M71 S72	I64-A68 WeakPolarHBondContact O-CB 3.43Å; I64-A68 PolarHBondContact O-N 2.88Å; V65-A68 PolarHBondContact O-N 3.41Å; V66-A68 VanDerWaalsContact C-N 3.3Å; V66-A68 PolarHBondContact O-N 3.41Å; A68-M71 PolarHBondContact O-N 3.48Å; A68-S72 PolarHBondContact O-N 3.01Å
69	M	90.6	Very high	87.5	Confident	24 Å²	24	72.1 Å²	72.1	12%	0.118	41%	0.407	C	S	.	.	H	α-helix	trans	-69.5	-33.1	176.8	-65.1	-58.1	98.5	0	0	112.6	V65 V66 I67 S72 L73 P80 F110 A111	V65-M69 HydrophobicContact CG1-CG 4.45Å; V65-M69 WeakPolarHBondContact O-CG 3.43Å; V65-M69 PolarHBondContact O-N 2.86Å; V66-M69 PolarHBondContact O-N 3.39Å; I67-M69 PolarHBondContact O-N 3.24Å; M69-S72 PolarHBondContact O-N 2.98Å; M69-S72 PolarHBondContact O-OG 3.41Å; M69-L73 WeakPolarHBondContact O-CG 3.45Å; M69-L73 PolarHBondContact O-N 3.43Å; M69-P80 HydrophobicContact SD-CG 4.23Å; M69-F110 HydrophobicContact CG-CD1 4.39Å; M69-F110 HydrophobicContact SD-CD1 3.93Å; M69-F110 HydrophobicContact SD-CE1 3.83Å; M69-A111 HydrophobicContact CB-CB 4.28Å; M69-A111 HydrophobicContact CG-CB 3.83Å
70	M	88.1	Confident	86.9	Confident	63 Å²	63	69.4 Å²	69.4	31%	0.31	39%	0.389	S	S	.	.	H	α-helix	trans	-69.1	-39.7	174.4	-73	-57.1	-65.8	0	0	111.8	V66 I67 L73 Y74 V104 A107	V66-M70 HydrophobicContact CG1-CG 4.24Å; V66-M70 WeakPolarHBondContact O-CB 3.3Å; V66-M70 VanDerWaalsContact O-CG 3.27Å; V66-M70 WeakPolarHBondContact O-CG 3.2Å; V66-M70 PolarHBondContact O-N 3.44Å; I67-M70 PolarHBondContact O-N 3.27Å; M70-L73 PolarHBondContact O-N 3.02Å; M70-L73 HydrophobicContact SD-CD1 4.4Å; M70-Y74 PolarHBondContact O-N 3.13Å; M70-V104 HydrophobicContact CE-CB 4.4Å; M70-V104 HydrophobicContact CE-CG1 4.11Å; M70-V104 HydrophobicContact CE-CG2 3.82Å; M70-V104 HydrophobicContact SD-CG1 4.27Å; M70-A107 HydrophobicContact SD-CB 3.83Å
71	M	88.2	Confident	86.7	Confident	106 Å²	106	72.9 Å²	72.9	52%	0.522	40%	0.4	S	S	.	.	H	α-helix	trans	-66	-36.7	174.7	-73.7	-61.8	-63.7	0	0	112.1	I67 A68 Y74 T75	I67-M71 HydrophobicContact CG2-CG 4.31Å; I67-M71 WeakPolarHBondContact O-CB 3.4Å; I67-M71 VanDerWaalsContact O-CG 3.29Å; I67-M71 WeakPolarHBondContact O-CG 3.37Å; I67-M71 PolarHBondContact O-N 2.9Å; A68-M71 PolarHBondContact O-N 3.48Å; M71-Y74 PolarHBondContact O-N 3.44Å; M71-T75 WeakPolarHBondContact O-CB 3.42Å; M71-T75 WeakPolarHBondContact O-CG2 3.33Å; M71-T75 PolarHBondContact O-N 3.27Å; M71-T75 PolarHBondContact O-OG1 2.96Å
72	S	86	Confident	86.2	Confident	8 Å²	8	72.3 Å²	72.3	6%	0.056	40%	0.399	C	S	.	.	H	α-helix	trans	-64.8	-41.5	175.9	70.5	0	0	0	0	111.6	A68 M69 Y74 T75 G76 T77	A68-S72 PolarHBondContact O-N 3.01Å; M69-S72 PolarHBondContact O-N 2.98Å; M69-S72 PolarHBondContact O-OG 3.41Å; S72-Y74 VanDerWaalsContact C-N 3.35Å; S72-Y74 PolarHBondContact O-N 3.37Å; S72-T75 WeakPolarHBondContact CA-OG1 3.15Å; S72-T75 PolarHBondContact O-N 2.67Å; S72-T75 PolarHBondContact O-OG1 2.74Å; S72-G76 PolarHBondContact O-N 2.97Å; S72-G76 VanDerWaalsContact O-N 3.08Å; S72-T77 CarbonylContact C-O 3.5Å; S72-T77 WeakPolarHBondContact CA-OG1 3.24Å; S72-T77 WeakPolarHBondContact CB-OG1 3.39Å; S72-T77 PolarHBondContact O-N 2.79Å; S72-T77 VanDerWaalsContact O-O 3.13Å; S72-T77 PolarHBondContact O-OG1 3.48Å
73	L	84.3	Confident	85.7	Confident	69 Å²	69	72.1 Å²	72.1	36%	0.361	40%	0.404	S	S	.	.	H	α-helix	trans	-62.2	-39.7	173.4	-72.9	174.8	0	0	0	113	M69 M70 I84 A107	M69-L73 WeakPolarHBondContact O-CG 3.45Å; M69-L73 PolarHBondContact O-N 3.43Å; M70-L73 PolarHBondContact O-N 3.02Å; M70-L73 HydrophobicContact SD-CD1 4.4Å; L73-I84 HydrophobicContact CD2-CD1 4.39Å; L73-I84 HydrophobicContact CD2-CG2 4.34Å; L73-A107 HydrophobicContact CD1-CB 3.34Å
74	Y	84.6	Confident	85.4	Confident	204 Å²	204	68.1 Å²	68.1	80%	0.8	38%	0.383	S	S	*	.	H	α-helix	trans	-68.2	-36.9	177.6	-174.8	-99.2	0	0	0	112.5	M70 M71 S72 G76	M70-Y74 PolarHBondContact O-N 3.13Å; M71-Y74 PolarHBondContact O-N 3.44Å; S72-Y74 VanDerWaalsContact C-N 3.35Å; S72-Y74 PolarHBondContact O-N 3.37Å; Y74-G76 VanDerWaalsContact C-N 3.32Å
75	T	87	Confident	84.9	Confident	81 Å²	81	66.2 Å²	66.2	50%	0.497	37%	0.374	S	S	.	.	H	α-helix	trans	-84.9	-2	-179	54	0	0	0	0	113.9	M71 S72 T77	M71-T75 WeakPolarHBondContact O-CB 3.42Å; M71-T75 WeakPolarHBondContact O-CG2 3.33Å; M71-T75 PolarHBondContact O-N 3.27Å; M71-T75 PolarHBondContact O-OG1 2.96Å; S72-T75 WeakPolarHBondContact CA-OG1 3.15Å; S72-T75 PolarHBondContact O-N 2.67Å; S72-T75 PolarHBondContact O-OG1 2.74Å; T75-T77 PolarHBondContact O-N 3.05Å; T75-T77 PolarHBondContact OG1-OG1 2.56Å
76	G	77.3	Confident	84.6	Confident	70 Å²	70	68.7 Å²	68.7	72%	0.722	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	16.9	-177.7	0	0	0	0	0	113.9	S72 Y74	S72-G76 PolarHBondContact O-N 2.97Å; S72-G76 VanDerWaalsContact O-N 3.08Å; Y74-G76 VanDerWaalsContact C-N 3.32Å
77	T	78.8	Confident	84.3	Confident	76 Å²	76	70 Å²	70	47%	0.466	40%	0.395	S	S	.	.			trans	-89.2	135.6	174.9	54.6	0	0	0	0	109.3	S72 T75 P79	S72-T77 CarbonylContact C-O 3.5Å; S72-T77 WeakPolarHBondContact CA-OG1 3.24Å; S72-T77 WeakPolarHBondContact CB-OG1 3.39Å; S72-T77 PolarHBondContact O-N 2.79Å; S72-T77 VanDerWaalsContact O-O 3.13Å; S72-T77 PolarHBondContact O-OG1 3.48Å; T75-T77 PolarHBondContact O-N 3.05Å; T75-T77 PolarHBondContact OG1-OG1 2.56Å; T77-P79 WeakPolarHBondContact O-CD 3.37Å
78	D	78.1	Confident	83.9	Confident	83 Å²	83	67.8 Å²	67.8	44%	0.444	38%	0.382	S	S	.	.			trans	-110.7	65	178.9	-171.6	23.9	0	0	0	113.3	P80 L81 G82	D78-P80 WeakPolarHBondContact OD1-CD 3.47Å; D78-L81 PolarHBondContact O-N 3.05Å; D78-L81 PolarHBondContact OD1-N 3.45Å; D78-G82 PolarHBondContact OD1-N 3.35Å; D78-G82 WeakPolarHBondContact OD2-CA 3.45Å; D78-G82 PolarHBondContact OD2-N 3.1Å
79	P	76.2	Confident	83.7	Confident	80 Å²	80	72.7 Å²	72.7	52%	0.519	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-34.7	168.1	-16.2	22.6	0	0	0	114.7	T77 L81	T77-P79 WeakPolarHBondContact O-CD 3.37Å; P79-L81 PolarHBondContact O-N 3.25Å
80	P	76.5	Confident	83.5	Confident	6 Å²	6	77.4 Å²	77.4	4%	0.039	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-2.2	177.6	-21.9	34.2	0	0	0	116.3	M69 D78 G82 I83 I84 F110	M69-P80 HydrophobicContact SD-CG 4.23Å; D78-P80 WeakPolarHBondContact OD1-CD 3.47Å; P80-G82 VanDerWaalsContact C-N 3.35Å; P80-G82 PolarHBondContact O-N 3.35Å; P80-I83 HydrophobicContact CB-CB 4.46Å; P80-I83 WeakPolarHBondContact O-CB 3.4Å; P80-I83 WeakPolarHBondContact O-CD1 3.27Å; P80-I83 VanDerWaalsContact O-CG1 3.23Å; P80-I83 WeakPolarHBondContact O-CG1 3.29Å; P80-I83 PolarHBondContact O-N 3.34Å; P80-I84 HydrophobicContact CB-CD1 4.24Å; P80-I84 HydrophobicContact CB-CG1 3.94Å; P80-I84 HydrophobicContact CG-CD1 3.55Å; P80-I84 HydrophobicContact CG-CG1 3.83Å; P80-F110 HydrophobicContact CB-CD1 4.25Å; P80-F110 HydrophobicContact CB-CE1 3.71Å; P80-F110 HydrophobicContact CB-CE2 4.23Å; P80-F110 HydrophobicContact CB-CZ 3.7Å; P80-F110 HydrophobicContact CG-CD1 4.1Å; P80-F110 HydrophobicContact CG-CE1 3.69Å; P80-F110 HydrophobicContact CG-CZ 4.19Å
81	L	83.6	Confident	83.4	Confident	155 Å²	155	75.3 Å²	75.3	81%	0.812	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	45.4	179	-54.8	172.5	0	0	0	113.2	D78 P79 I83	D78-L81 PolarHBondContact O-N 3.05Å; D78-L81 PolarHBondContact OD1-N 3.45Å; P79-L81 PolarHBondContact O-N 3.25Å; L81-I83 VanDerWaalsContact C-N 3.32Å; L81-I83 PolarHBondContact O-N 3.12Å
82	G	82.1	Confident	82.9	Confident	20 Å²	20	74.4 Å²	74.4	21%	0.206	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	0.7	174.5	0	0	0	0	0	115.5	D78 P80 I84 D85 T86	D78-G82 PolarHBondContact OD1-N 3.35Å; D78-G82 WeakPolarHBondContact OD2-CA 3.45Å; D78-G82 PolarHBondContact OD2-N 3.1Å; P80-G82 VanDerWaalsContact C-N 3.35Å; P80-G82 PolarHBondContact O-N 3.35Å; G82-I84 PolarHBondContact O-N 3.4Å; G82-D85 PolarHBondContact O-N 3.14Å; G82-T86 PolarHBondContact O-N 3.48Å; G82-T86 PolarHBondContact O-OG1 2.9Å
83	I	84.4	Confident	82.4	Confident	82 Å²	82	83 Å²	83	42%	0.421	45%	0.445	S	S	.	.	H	α-helix	trans	-65.8	-38.4	180	-64.2	170.8	0	0	0	111.3	P80 L81 D85 T86 I87 F110	P80-I83 HydrophobicContact CB-CB 4.46Å; P80-I83 WeakPolarHBondContact O-CB 3.4Å; P80-I83 WeakPolarHBondContact O-CD1 3.27Å; P80-I83 VanDerWaalsContact O-CG1 3.23Å; P80-I83 WeakPolarHBondContact O-CG1 3.29Å; P80-I83 PolarHBondContact O-N 3.34Å; L81-I83 VanDerWaalsContact C-N 3.32Å; L81-I83 PolarHBondContact O-N 3.12Å; I83-D85 VanDerWaalsContact C-N 3.32Å; I83-D85 PolarHBondContact O-N 2.88Å; I83-T86 WeakPolarHBondContact O-CB 3.3Å; I83-T86 PolarHBondContact O-N 2.98Å; I83-T86 VanDerWaalsContact O-N 3.17Å; I83-I87 HydrophobicContact CG2-CD1 3.97Å; I83-I87 HydrophobicContact CG2-CG1 4.39Å; I83-I87 WeakPolarHBondContact O-CG1 3.35Å; I83-I87 PolarHBondContact O-N 2.82Å; I83-F110 HydrophobicContact CB-CD2 4.2Å; I83-F110 HydrophobicContact CB-CE2 3.96Å; I83-F110 HydrophobicContact CD1-CE2 4.04Å; I83-F110 HydrophobicContact CG2-CD2 3.59Å; I83-F110 HydrophobicContact CG2-CE2 3.69Å
84	I	84.5	Confident	81.7	Confident	5 Å²	5	83 Å²	83	3%	0.026	44%	0.443	C	S	.	.	H	α-helix	trans	-61.2	-43.5	177.9	-66.3	-176.6	0	0	0	110.6	L73 P80 G82 T86 I87 K88 A107 F110	L73-I84 HydrophobicContact CD2-CD1 4.39Å; L73-I84 HydrophobicContact CD2-CG2 4.34Å; P80-I84 HydrophobicContact CB-CD1 4.24Å; P80-I84 HydrophobicContact CB-CG1 3.94Å; P80-I84 HydrophobicContact CG-CD1 3.55Å; P80-I84 HydrophobicContact CG-CG1 3.83Å; G82-I84 PolarHBondContact O-N 3.4Å; I84-T86 VanDerWaalsContact C-N 3.31Å; I84-T86 PolarHBondContact O-N 2.84Å; I84-I87 PolarHBondContact O-N 2.86Å; I84-K88 VanDerWaalsContact O-CB 3.31Å; I84-K88 WeakPolarHBondContact O-CB 3.13Å; I84-K88 PolarHBondContact O-N 3.22Å; I84-A107 HydrophobicContact CD1-CB 4.38Å; I84-F110 HydrophobicContact CD1-CB 4.48Å; I84-F110 HydrophobicContact CD1-CD1 4.2Å; I84-F110 HydrophobicContact CD1-CG 4.5Å; I84-F110 HydrophobicContact CG1-CB 3.91Å; I84-F110 HydrophobicContact CG1-CD1 4.08Å; I84-F110 HydrophobicContact CG1-CG 3.93Å
85	D	83.8	Confident	81.1	Confident	77 Å²	77	82.3 Å²	82.3	41%	0.412	45%	0.447	S	S	.	.	H	α-helix	trans	-66.8	-34	177	-80.2	-30.7	0	0	0	112.5	G82 I83 K88 K89	G82-D85 PolarHBondContact O-N 3.14Å; I83-D85 VanDerWaalsContact C-N 3.32Å; I83-D85 PolarHBondContact O-N 2.88Å; D85-K88 WeakPolarHBondContact O-CB 3.42Å; D85-K88 PolarHBondContact O-N 3.26Å; D85-K89 WeakPolarHBondContact O-CB 3.48Å; D85-K89 VanDerWaalsContact O-CG 3.26Å; D85-K89 WeakPolarHBondContact O-CG 3.25Å; D85-K89 PolarHBondContact O-N 3.1Å
86	T	85.9	Confident	80.6	Confident	78 Å²	78	83.5 Å²	83.5	48%	0.479	46%	0.457	S	S	.	.	H	α-helix	trans	-64.5	-44.5	173.4	-55.9	0	0	0	0	111.4	G82 I83 I84 K89 N90	G82-T86 PolarHBondContact O-N 3.48Å; G82-T86 PolarHBondContact O-OG1 2.9Å; I83-T86 WeakPolarHBondContact O-CB 3.3Å; I83-T86 PolarHBondContact O-N 2.98Å; I83-T86 VanDerWaalsContact O-N 3.17Å; I84-T86 VanDerWaalsContact C-N 3.31Å; I84-T86 PolarHBondContact O-N 2.84Å; T86-K89 PolarHBondContact O-N 3.45Å; T86-N90 PolarHBondContact O-N 3.26Å; T86-N90 PolarHBondContact O-ND2 2.86Å
87	I	87	Confident	80.7	Confident	45 Å²	45	83.4 Å²	83.4	23%	0.231	44%	0.44	C	S	.	.	H	α-helix	trans	-61.5	-47.3	174.5	-66.4	165.5	0	0	0	109.7	I83 I84 K89 N90 L91 L109 F110	I83-I87 HydrophobicContact CG2-CD1 3.97Å; I83-I87 HydrophobicContact CG2-CG1 4.39Å; I83-I87 WeakPolarHBondContact O-CG1 3.35Å; I83-I87 PolarHBondContact O-N 2.82Å; I84-I87 PolarHBondContact O-N 2.86Å; I87-K89 VanDerWaalsContact C-N 3.25Å; I87-K89 PolarHBondContact O-N 3.1Å; I87-N90 CarbonylContact O-C 3.55Å; I87-N90 PolarHBondContact O-N 3.08Å; I87-L91 PolarHBondContact O-N 3.28Å; I87-L109 HydrophobicContact CG2-CD1 4.14Å; I87-F110 HydrophobicContact CD1-CB 3.98Å; I87-F110 HydrophobicContact CD1-CD2 4.28Å
88	K	84.9	Confident	81	Confident	43 Å²	43	83.2 Å²	83.2	19%	0.187	44%	0.441	C	S	.	.	H	α-helix	trans	-55.6	-38.8	179	-173.6	-174.2	174.7	-174.6	0	112.9	I84 D85 R102 A103 S106	I84-K88 VanDerWaalsContact O-CB 3.31Å; I84-K88 WeakPolarHBondContact O-CB 3.13Å; I84-K88 PolarHBondContact O-N 3.22Å; D85-K88 WeakPolarHBondContact O-CB 3.42Å; D85-K88 PolarHBondContact O-N 3.26Å; K88-R102 HydrophobicContact CG-CB 3.92Å; K88-A103 HydrophobicContact CD-CB 4.42Å; K88-S106 WeakPolarHBondContact CA-OG 3.48Å; K88-S106 WeakPolarHBondContact CB-OG 3.45Å; K88-S106 PolarHBondContact N-OG 2.94Å
89	K	85.4	Confident	81.2	Confident	152 Å²	152	83.2 Å²	83.2	66%	0.661	44%	0.444	S	S	*	.	H	α-helix	trans	-76.4	-16.3	177.5	-73.8	173.6	-175.2	177.6	0	114.2	D85 T86 I87 Q94	D85-K89 WeakPolarHBondContact O-CB 3.48Å; D85-K89 VanDerWaalsContact O-CG 3.26Å; D85-K89 WeakPolarHBondContact O-CG 3.25Å; D85-K89 PolarHBondContact O-N 3.1Å; T86-K89 PolarHBondContact O-N 3.45Å; I87-K89 VanDerWaalsContact C-N 3.25Å; I87-K89 PolarHBondContact O-N 3.1Å; K89-Q94 VanDerWaalsContact C-NE2 3.3Å; K89-Q94 PolarHBondContact O-NE2 3.26Å
90	N	86.8	Confident	81.5	Confident	123 Å²	123	87 Å²	87	66%	0.658	46%	0.456	S	S	*	.	H	α-helix	trans	-114.1	5.8	-177.7	-70.7	-70	0	0	0	113.3	T86 I87	T86-N90 PolarHBondContact O-N 3.26Å; T86-N90 PolarHBondContact O-ND2 2.86Å; I87-N90 CarbonylContact O-C 3.55Å; I87-N90 PolarHBondContact O-N 3.08Å
91	L	86.3	Confident	81.9	Confident	18 Å²	18	88.4 Å²	88.4	9%	0.094	47%	0.467	C	S	.	.			trans	-63.2	137	175.2	-82.7	170.4	0	0	0	110.8	I87 Q94 R102 L105 S106 L109	I87-L91 PolarHBondContact O-N 3.28Å; L91-Q94 WeakPolarHBondContact O-CG 3.47Å; L91-Q94 PolarHBondContact O-NE2 3.43Å; L91-R102 HydrophobicContact CD1-CB 4.31Å; L91-R102 HydrophobicContact CD1-CG 4.48Å; L91-L105 HydrophobicContact CD1-CB 4.49Å; L91-L105 HydrophobicContact CD1-CD2 4.05Å; L91-L105 HydrophobicContact CD1-CG 4.41Å; L91-L105 HydrophobicContact CD2-CD2 3.99Å; L91-L105 HydrophobicContact CD2-CG 4.45Å; L91-S106 WeakPolarHBondContact CD1-OG 3.29Å; L91-L109 HydrophobicContact CD2-CD1 3.81Å
92	P	77.8	Confident	81.9	Confident	88 Å²	88	83.3 Å²	83.3	57%	0.571	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	151.4	171.5	28.7	-32.9	0	0	0	110.7
93	Y	74.8	Confident	82.1	Confident	187 Å²	187	83.5 Å²	83.5	73%	0.733	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	41.2	178.8	-50	-80.5	0	0	0	115.7	H95 C96	Y93-H95 PolarHBondContact O-N 2.93Å; Y93-H95 VanDerWaalsContact O-N 3.07Å; Y93-C96 PolarHBondContact O-N 3.07Å
94	Q	71.1	Confident	82.3	Confident	69 Å²	69	82.4 Å²	82.4	32%	0.322	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-55.5	-29.1	-179.2	-56.6	-173.3	8	0	0	114.2	K89 L91 C96	K89-Q94 VanDerWaalsContact C-NE2 3.3Å; K89-Q94 PolarHBondContact O-NE2 3.26Å; L91-Q94 WeakPolarHBondContact O-CG 3.47Å; L91-Q94 PolarHBondContact O-NE2 3.43Å; Q94-C96 VanDerWaalsContact C-N 3.26Å; Q94-C96 PolarHBondContact O-N 2.87Å
95	H	70.1	Confident	82.5	Confident	191 Å²	191	85.3 Å²	85.3	88%	0.884	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-72.4	-17.4	-179.7	-58.4	-67.5	0	0	0	113.6	Y93	Y93-H95 PolarHBondContact O-N 2.93Å; Y93-H95 VanDerWaalsContact O-N 3.07Å
96	C	76.6	Confident	82.7	Confident	106 Å²	106	81.7 Å²	81.7	72%	0.716	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-96.6	-7.7	-178.1	-58.1	0	0	0	0	113.4	Y93 Q94	Y93-C96 PolarHBondContact O-N 3.07Å; Q94-C96 VanDerWaalsContact C-N 3.26Å; Q94-C96 PolarHBondContact O-N 2.87Å
97	L	79.9	Confident	82.9	Confident	67 Å²	67	78 Å²	78	35%	0.351	41%	0.407	S	S	.	.	S	Bend	trans	-122.1	132.4	-172.5	-73.6	161.6	0	0	0	111.7	A101 R102 L105	L97-A101 HydrophobicContact CD2-CB 4.1Å; L97-R102 HydrophobicContact CB-CG 3.65Å; L97-R102 HydrophobicContact CD1-CG 4.47Å; L97-R102 PolarHBondContact O-NE 3.34Å; L97-L105 HydrophobicContact CD1-CD2 4.41Å
98	S	85.4	Confident	83.2	Confident	72 Å²	72	78.6 Å²	78.6	50%	0.503	41%	0.41	S	S	.	.			trans	-61.3	155.4	174.4	77	0	0	0	0	111.6	Q100 A101 R102	S98-Q100 PolarHBondContact O-N 3.4Å; S98-A101 PolarHBondContact O-N 3.25Å; S98-A101 VanDerWaalsContact O-N 3.09Å; S98-A101 WeakPolarHBondContact OG-CB 3.47Å; S98-A101 PolarHBondContact OG-N 3.17Å; S98-A101 VanDerWaalsContact OG-N 3.09Å; S98-R102 WeakPolarHBondContact O-CG 3.42Å; S98-R102 PolarHBondContact O-N 3.45Å
99	T	81.9	Confident	83.5	Confident	83 Å²	83	80.4 Å²	80.4	51%	0.509	42%	0.421	S	S	.	.	H	α-helix	trans	-59.1	-34.1	179.2	-55.5	0	0	0	0	112.6	R102 A103	T99-R102 PolarHBondContact OG1-NH2 2.86Å; T99-R102 VanDerWaalsContact OG1-NH2 3.08Å; T99-A103 PolarHBondContact O-N 3.42Å; T99-A103 VanDerWaalsContact O-N 3.14Å
100	Q	82.8	Confident	83.8	Confident	161 Å²	161	74.5 Å²	74.5	75%	0.752	40%	0.396	S	S	*	.	H	α-helix	trans	-68.3	-47.4	172.5	-76.9	175.8	-19.1	0	0	111.5	S98 R102 A103 V104	S98-Q100 PolarHBondContact O-N 3.4Å; Q100-R102 VanDerWaalsContact C-N 3.29Å; Q100-R102 PolarHBondContact O-N 3.43Å; Q100-A103 PolarHBondContact O-N 3.23Å; Q100-A103 VanDerWaalsContact O-N 3.12Å; Q100-V104 WeakPolarHBondContact O-CG2 3.37Å; Q100-V104 PolarHBondContact O-N 3.31Å
101	A	84.4	Confident	84.2	Confident	35 Å²	35	68.7 Å²	68.7	29%	0.289	37%	0.365	S	S	.	.	H	α-helix	trans	-59.5	-40.5	177.7	0	0	0	0	0	111.9	L97 S98 V104 L105	L97-A101 HydrophobicContact CD2-CB 4.1Å; S98-A101 PolarHBondContact O-N 3.25Å; S98-A101 VanDerWaalsContact O-N 3.09Å; S98-A101 WeakPolarHBondContact OG-CB 3.47Å; S98-A101 PolarHBondContact OG-N 3.17Å; S98-A101 VanDerWaalsContact OG-N 3.09Å; A101-V104 PolarHBondContact O-N 2.97Å; A101-L105 VanDerWaalsContact O-CB 3.3Å; A101-L105 WeakPolarHBondContact O-CB 3.38Å; A101-L105 PolarHBondContact O-N 3.07Å
102	R	85.1	Confident	84.5	Confident	48 Å²	48	69.7 Å²	69.7	18%	0.181	37%	0.372	C	S	.	.	H	α-helix	trans	-63.6	-40.1	175	-68.8	-174.2	-72.1	158.1	-1.7	112.5	K88 L91 L97 S98 T99 Q100 S106	K88-R102 HydrophobicContact CG-CB 3.92Å; L91-R102 HydrophobicContact CD1-CB 4.31Å; L91-R102 HydrophobicContact CD1-CG 4.48Å; L97-R102 HydrophobicContact CB-CG 3.65Å; L97-R102 HydrophobicContact CD1-CG 4.47Å; L97-R102 PolarHBondContact O-NE 3.34Å; S98-R102 WeakPolarHBondContact O-CG 3.42Å; S98-R102 PolarHBondContact O-N 3.45Å; T99-R102 PolarHBondContact OG1-NH2 2.86Å; T99-R102 VanDerWaalsContact OG1-NH2 3.08Å; Q100-R102 VanDerWaalsContact C-N 3.29Å; Q100-R102 PolarHBondContact O-N 3.43Å; R102-S106 VanDerWaalsContact O-CB 3.3Å; R102-S106 WeakPolarHBondContact O-CB 3.41Å; R102-S106 PolarHBondContact O-N 3.47Å; R102-S106 PolarHBondContact O-OG 2.88Å
103	A	85	Confident	85.3	Confident	23 Å²	23	68.3 Å²	68.3	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-65.3	-47.7	177	0	0	0	0	0	111.5	K88 T99 Q100 S106 A107	K88-A103 HydrophobicContact CD-CB 4.42Å; T99-A103 PolarHBondContact O-N 3.42Å; T99-A103 VanDerWaalsContact O-N 3.14Å; Q100-A103 PolarHBondContact O-N 3.23Å; Q100-A103 VanDerWaalsContact O-N 3.12Å; A103-S106 PolarHBondContact O-N 2.71Å; A103-A107 WeakPolarHBondContact O-CB 3.28Å; A103-A107 PolarHBondContact O-N 2.89Å
104	V	88.4	Confident	86.2	Confident	59 Å²	59	61.5 Å²	61.5	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-48.1	177.5	176.3	0	0	0	0	111.2	M70 Q100 A101 S106 A107 I108	M70-V104 HydrophobicContact CE-CB 4.4Å; M70-V104 HydrophobicContact CE-CG1 4.11Å; M70-V104 HydrophobicContact CE-CG2 3.82Å; M70-V104 HydrophobicContact SD-CG1 4.27Å; Q100-V104 WeakPolarHBondContact O-CG2 3.37Å; Q100-V104 PolarHBondContact O-N 3.31Å; A101-V104 PolarHBondContact O-N 2.97Å; V104-S106 VanDerWaalsContact C-N 3.33Å; V104-S106 PolarHBondContact O-N 2.99Å; V104-A107 WeakPolarHBondContact O-CB 3.42Å; V104-A107 PolarHBondContact O-N 3.12Å; V104-I108 HydrophobicContact CG1-CD1 3.87Å; V104-I108 WeakPolarHBondContact O-CG1 3.42Å; V104-I108 PolarHBondContact O-N 3.39Å
105	L	89.1	Confident	87.3	Confident	67 Å²	67	59.4 Å²	59.4	35%	0.351	33%	0.333	S	S	.	.	H	α-helix	trans	-61.4	-43.1	179.7	-177.6	61.9	0	0	0	111.6	L91 L97 A101 A107 I108 L109	L91-L105 HydrophobicContact CD1-CB 4.49Å; L91-L105 HydrophobicContact CD1-CD2 4.05Å; L91-L105 HydrophobicContact CD1-CG 4.41Å; L91-L105 HydrophobicContact CD2-CD2 3.99Å; L91-L105 HydrophobicContact CD2-CG 4.45Å; L97-L105 HydrophobicContact CD1-CD2 4.41Å; A101-L105 VanDerWaalsContact O-CB 3.3Å; A101-L105 WeakPolarHBondContact O-CB 3.38Å; A101-L105 PolarHBondContact O-N 3.07Å; L105-A107 VanDerWaalsContact C-N 3.32Å; L105-A107 PolarHBondContact O-N 3.39Å; L105-I108 PolarHBondContact O-N 3.16Å; L105-L109 HydrophobicContact CG-CD1 4.2Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.36Å; L105-L109 PolarHBondContact O-N 2.91Å
106	S	89.2	Confident	88.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-38.3	177.7	-55.4	0	0	0	0	111.9	K88 L91 R102 A103 V104 L109 F110	K88-S106 WeakPolarHBondContact CA-OG 3.48Å; K88-S106 WeakPolarHBondContact CB-OG 3.45Å; K88-S106 PolarHBondContact N-OG 2.94Å; L91-S106 WeakPolarHBondContact CD1-OG 3.29Å; R102-S106 VanDerWaalsContact O-CB 3.3Å; R102-S106 WeakPolarHBondContact O-CB 3.41Å; R102-S106 PolarHBondContact O-N 3.47Å; R102-S106 PolarHBondContact O-OG 2.88Å; A103-S106 PolarHBondContact O-N 2.71Å; V104-S106 VanDerWaalsContact C-N 3.33Å; V104-S106 PolarHBondContact O-N 2.99Å; S106-L109 PolarHBondContact O-N 2.9Å; S106-F110 WeakPolarHBondContact O-CB 3.48Å; S106-F110 PolarHBondContact O-N 2.93Å
107	A	89.6	Confident	89.3	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-45.6	174.5	0	0	0	0	0	112.1	M70 L73 I84 A103 V104 L105 F110 A111	M70-A107 HydrophobicContact SD-CB 3.83Å; L73-A107 HydrophobicContact CD1-CB 3.34Å; I84-A107 HydrophobicContact CD1-CB 4.38Å; A103-A107 WeakPolarHBondContact O-CB 3.28Å; A103-A107 PolarHBondContact O-N 2.89Å; V104-A107 WeakPolarHBondContact O-CB 3.42Å; V104-A107 PolarHBondContact O-N 3.12Å; L105-A107 VanDerWaalsContact C-N 3.32Å; L105-A107 PolarHBondContact O-N 3.39Å; A107-F110 PolarHBondContact O-N 2.81Å; A107-A111 WeakPolarHBondContact O-CB 3.4Å; A107-A111 PolarHBondContact O-N 3.03Å
108	I	92.1	Very high	89.9	Confident	57 Å²	57	57.2 Å²	57.2	29%	0.292	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-43.3	178.6	-67.9	168.5	0	0	0	110.6	W62 V66 V104 L105 A111 T112	W62-I108 HydrophobicContact CZ2-CG2 4.34Å; V66-I108 HydrophobicContact CG1-CG1 4.17Å; V104-I108 HydrophobicContact CG1-CD1 3.87Å; V104-I108 WeakPolarHBondContact O-CG1 3.42Å; V104-I108 PolarHBondContact O-N 3.39Å; L105-I108 PolarHBondContact O-N 3.16Å; I108-A111 PolarHBondContact O-N 2.94Å; I108-T112 VanDerWaalsContact O-CB 3.3Å; I108-T112 WeakPolarHBondContact O-CB 3.35Å; I108-T112 PolarHBondContact O-N 3.17Å; I108-T112 PolarHBondContact O-OG1 3.09Å
109	L	91.9	Very high	90.3	Very high	81 Å²	81	54 Å²	54	42%	0.424	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-48.2	176.9	-73.6	172.6	0	0	0	111.4	I87 L91 L105 S106 T112 A113	I87-L109 HydrophobicContact CG2-CD1 4.14Å; L91-L109 HydrophobicContact CD2-CD1 3.81Å; L105-L109 HydrophobicContact CG-CD1 4.2Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.36Å; L105-L109 PolarHBondContact O-N 2.91Å; S106-L109 PolarHBondContact O-N 2.9Å; L109-T112 PolarHBondContact O-N 3.26Å; L109-A113 WeakPolarHBondContact O-CB 3.46Å; L109-A113 PolarHBondContact O-N 3.03Å
110	F	92.7	Very high	90.8	Very high	29 Å²	29	56.2 Å²	56.2	13%	0.127	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-48.9	176.3	-179.5	-99.5	0	0	0	111.8	M69 P80 I83 I84 I87 S106 A107 T112 A113 L114	M69-F110 HydrophobicContact CG-CD1 4.39Å; M69-F110 HydrophobicContact SD-CD1 3.93Å; M69-F110 HydrophobicContact SD-CE1 3.83Å; P80-F110 HydrophobicContact CB-CD1 4.25Å; P80-F110 HydrophobicContact CB-CE1 3.71Å; P80-F110 HydrophobicContact CB-CE2 4.23Å; P80-F110 HydrophobicContact CB-CZ 3.7Å; P80-F110 HydrophobicContact CG-CD1 4.1Å; P80-F110 HydrophobicContact CG-CE1 3.69Å; P80-F110 HydrophobicContact CG-CZ 4.19Å; I83-F110 HydrophobicContact CB-CD2 4.2Å; I83-F110 HydrophobicContact CB-CE2 3.96Å; I83-F110 HydrophobicContact CD1-CE2 4.04Å; I83-F110 HydrophobicContact CG2-CD2 3.59Å; I83-F110 HydrophobicContact CG2-CE2 3.69Å; I84-F110 HydrophobicContact CD1-CB 4.48Å; I84-F110 HydrophobicContact CD1-CD1 4.2Å; I84-F110 HydrophobicContact CD1-CG 4.5Å; I84-F110 HydrophobicContact CG1-CB 3.91Å; I84-F110 HydrophobicContact CG1-CD1 4.08Å; I84-F110 HydrophobicContact CG1-CG 3.93Å; I87-F110 HydrophobicContact CD1-CB 3.98Å; I87-F110 HydrophobicContact CD1-CD2 4.28Å; S106-F110 WeakPolarHBondContact O-CB 3.48Å; S106-F110 PolarHBondContact O-N 2.93Å; A107-F110 PolarHBondContact O-N 2.81Å; F110-T112 VanDerWaalsContact C-N 3.26Å; F110-T112 PolarHBondContact O-N 3.33Å; F110-A113 PolarHBondContact O-N 2.88Å; F110-L114 HydrophobicContact CE1-CD2 4.11Å; F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.37Å; F110-L114 PolarHBondContact O-N 2.88Å
111	A	93.3	Very high	91.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.1	-40.4	177.3	0	0	0	0	0	112	V65 V66 M69 A107 I108 W115	V65-A111 HydrophobicContact CG1-CB 4Å; V66-A111 HydrophobicContact CB-CB 4.44Å; V66-A111 HydrophobicContact CG2-CB 3.81Å; M69-A111 HydrophobicContact CB-CB 4.28Å; M69-A111 HydrophobicContact CG-CB 3.83Å; A107-A111 WeakPolarHBondContact O-CB 3.4Å; A107-A111 PolarHBondContact O-N 3.03Å; I108-A111 PolarHBondContact O-N 2.94Å; A111-W115 VanDerWaalsContact O-CB 3.23Å; A111-W115 WeakPolarHBondContact O-CB 3.35Å; A111-W115 PolarHBondContact O-N 2.85Å
112	T	93.6	Very high	91.8	Very high	39 Å²	39	52 Å²	52	24%	0.239	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-45.3	177.9	-56	0	0	0	0	111.4	W62 I108 L109 F110 W115 L116	W62-T112 PolarHBondContact NE1-OG1 3.37Å; I108-T112 VanDerWaalsContact O-CB 3.3Å; I108-T112 WeakPolarHBondContact O-CB 3.35Å; I108-T112 PolarHBondContact O-N 3.17Å; I108-T112 PolarHBondContact O-OG1 3.09Å; L109-T112 PolarHBondContact O-N 3.26Å; F110-T112 VanDerWaalsContact C-N 3.26Å; F110-T112 PolarHBondContact O-N 3.33Å; T112-W115 PolarHBondContact O-N 3.12Å; T112-L116 HydrophobicContact CG2-CD1 4.24Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 WeakPolarHBondContact O-CG 3.42Å; T112-L116 PolarHBondContact O-N 3.09Å
113	A	93.4	Very high	92.3	Very high	59 Å²	59	52 Å²	52	49%	0.488	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-44.5	176	0	0	0	0	0	111.6	L109 F110 L116 F117	L109-A113 WeakPolarHBondContact O-CB 3.46Å; L109-A113 PolarHBondContact O-N 3.03Å; F110-A113 PolarHBondContact O-N 2.88Å; A113-L116 PolarHBondContact O-N 3.25Å; A113-F117 WeakPolarHBondContact O-CB 3.21Å; A113-F117 PolarHBondContact O-N 3.28Å
114	L	93.8	Very high	92.7	Very high	45 Å²	45	56.7 Å²	56.7	24%	0.236	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-43.6	175.9	-178.5	63.2	0	0	0	111.7	V65 F110 F117 F118	V65-L114 HydrophobicContact CG1-CD2 4.24Å; F110-L114 HydrophobicContact CE1-CD2 4.11Å; F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.37Å; F110-L114 PolarHBondContact O-N 2.88Å; L114-F117 WeakPolarHBondContact O-CB 3.3Å; L114-F117 PolarHBondContact O-N 2.86Å; L114-F118 HydrophobicContact CD1-CD2 4.14Å; L114-F118 HydrophobicContact CD1-CE2 3.54Å; L114-F118 HydrophobicContact CD1-CZ 4Å; L114-F118 HydrophobicContact CD2-CE2 4.06Å; L114-F118 HydrophobicContact CG-CD2 3.96Å; L114-F118 HydrophobicContact CG-CE2 3.52Å; L114-F118 HydrophobicContact CG-CZ 4.43Å; L114-F118 WeakPolarHBondContact O-CD2 3.3Å; L114-F118 PolarHBondContact O-N 3.49Å
115	W	95	Very high	93.1	Very high	24 Å²	24	55.8 Å²	55.8	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-44.8	176.9	179.2	69.2	0	0	0	112.6	V54 A57 S58 S61 W62 A111 T112 F117 F118 I119	V54-W115 HydrophobicContact CB-CH2 3.56Å; V54-W115 HydrophobicContact CB-CZ2 4.01Å; V54-W115 HydrophobicContact CB-CZ3 4.38Å; V54-W115 HydrophobicContact CG1-CH2 3.5Å; V54-W115 HydrophobicContact CG1-CZ2 4.43Å; V54-W115 HydrophobicContact CG1-CZ3 3.95Å; V54-W115 HydrophobicContact CG2-CH2 4.01Å; V54-W115 HydrophobicContact CG2-CZ2 4.3Å; A57-W115 HydrophobicContact CB-CZ2 4.04Å; S58-W115 WeakPolarHBondContact O-CZ2 3.39Å; S61-W115 PolarHBondContact OG-NE1 3.21Å; W62-W115 HydrophobicContact CB-CD2 3.72Å; W62-W115 HydrophobicContact CB-CE3 4.03Å; W62-W115 HydrophobicContact CB-CG 4.16Å; W62-W115 HydrophobicContact CB-CH2 4.09Å; W62-W115 HydrophobicContact CB-CZ2 3.83Å; W62-W115 HydrophobicContact CB-CZ3 4.21Å; W62-W115 AromaticContact CD1-CD2 3.94Å; W62-W115 AromaticContact CD1-CE3 3.74Å; W62-W115 HydrophobicContact CG-CD2 4.22Å; W62-W115 HydrophobicContact CG-CE3 4.17Å; W62-W115 HydrophobicContact CG-CZ3 4.43Å; A111-W115 VanDerWaalsContact O-CB 3.23Å; A111-W115 WeakPolarHBondContact O-CB 3.35Å; A111-W115 PolarHBondContact O-N 2.85Å; T112-W115 PolarHBondContact O-N 3.12Å; W115-F117 VanDerWaalsContact C-N 3.32Å; W115-F117 PolarHBondContact O-N 2.91Å; W115-F118 PolarHBondContact O-N 2.96Å; W115-I119 HydrophobicContact CD2-CD1 3.69Å; W115-I119 HydrophobicContact CE3-CD1 3.85Å; W115-I119 HydrophobicContact CG-CD1 4.41Å; W115-I119 HydrophobicContact CH2-CD1 3.85Å; W115-I119 HydrophobicContact CZ2-CD1 3.62Å; W115-I119 HydrophobicContact CZ3-CD1 3.93Å; W115-I119 WeakPolarHBondContact O-CG1 3.4Å; W115-I119 PolarHBondContact O-N 2.93Å
116	L	93.8	Very high	93.4	Very high	91 Å²	91	52.7 Å²	52.7	48%	0.476	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-38.7	174.7	-70.3	174.7	0	0	0	111.9	T112 A113 I119 H120	T112-L116 HydrophobicContact CG2-CD1 4.24Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 WeakPolarHBondContact O-CG 3.42Å; T112-L116 PolarHBondContact O-N 3.09Å; A113-L116 PolarHBondContact O-N 3.25Å; L116-I119 HydrophobicContact CD2-CD1 4.28Å; L116-I119 PolarHBondContact O-N 2.97Å; L116-H120 PolarHBondContact O-N 3.16Å
117	F	94.1	Very high	93.7	Very high	125 Å²	125	55.9 Å²	55.9	55%	0.548	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-47.5	173.1	175.3	-99.6	0	0	0	111.3	A113 L114 W115 I119 H120 V121	A113-F117 WeakPolarHBondContact O-CB 3.21Å; A113-F117 PolarHBondContact O-N 3.28Å; L114-F117 WeakPolarHBondContact O-CB 3.3Å; L114-F117 PolarHBondContact O-N 2.86Å; W115-F117 VanDerWaalsContact C-N 3.32Å; W115-F117 PolarHBondContact O-N 2.91Å; F117-I119 PolarHBondContact O-N 3.45Å; F117-H120 WeakPolarHBondContact O-CB 3.38Å; F117-H120 PolarHBondContact O-N 3.33Å; F117-H120 VanDerWaalsContact O-N 3.14Å; F117-V121 HydrophobicContact CD1-CG2 4.22Å; F117-V121 HydrophobicContact CE1-CG2 3.81Å; F117-V121 HydrophobicContact CE2-CG2 4.13Å; F117-V121 HydrophobicContact CZ-CG2 3.76Å; F117-V121 WeakPolarHBondContact O-CG2 3.45Å; F117-V121 PolarHBondContact O-N 3.2Å
118	F	93.3	Very high	94	Very high	102 Å²	102	60.3 Å²	60.3	45%	0.447	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-41.2	175.5	-76.1	-57	0	0	0	112.8	L114 W115 H120 V121 I122	L114-F118 HydrophobicContact CD1-CD2 4.14Å; L114-F118 HydrophobicContact CD1-CE2 3.54Å; L114-F118 HydrophobicContact CD1-CZ 4Å; L114-F118 HydrophobicContact CD2-CE2 4.06Å; L114-F118 HydrophobicContact CG-CD2 3.96Å; L114-F118 HydrophobicContact CG-CE2 3.52Å; L114-F118 HydrophobicContact CG-CZ 4.43Å; L114-F118 WeakPolarHBondContact O-CD2 3.3Å; L114-F118 PolarHBondContact O-N 3.49Å; W115-F118 PolarHBondContact O-N 2.96Å; F118-H120 VanDerWaalsContact C-N 3.3Å; F118-H120 PolarHBondContact O-N 3.43Å; F118-V121 PolarHBondContact O-N 2.95Å; F118-I122 VanDerWaalsContact O-CG1 3.28Å; F118-I122 WeakPolarHBondContact O-CG1 3.45Å; F118-I122 PolarHBondContact O-N 3.3Å
119	I	93.5	Very high	94.2	Very high	6 Å²	6	59 Å²	59	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-57.5	-46.4	173.5	-70.6	162.3	0	0	0	110.5	V54 A57 W115 L116 F117 I122 R123	V54-I119 HydrophobicContact CB-CD1 3.96Å; A57-I119 HydrophobicContact CB-CD1 3.86Å; A57-I119 HydrophobicContact CB-CG1 3.5Å; W115-I119 HydrophobicContact CD2-CD1 3.69Å; W115-I119 HydrophobicContact CE3-CD1 3.85Å; W115-I119 HydrophobicContact CG-CD1 4.41Å; W115-I119 HydrophobicContact CH2-CD1 3.85Å; W115-I119 HydrophobicContact CZ2-CD1 3.62Å; W115-I119 HydrophobicContact CZ3-CD1 3.93Å; W115-I119 WeakPolarHBondContact O-CG1 3.4Å; W115-I119 PolarHBondContact O-N 2.93Å; L116-I119 HydrophobicContact CD2-CD1 4.28Å; L116-I119 PolarHBondContact O-N 2.97Å; F117-I119 PolarHBondContact O-N 3.45Å; I119-I122 PolarHBondContact O-N 3.49Å; I119-R123 HydrophobicContact CG2-CG 4.4Å; I119-R123 WeakPolarHBondContact O-CB 3.39Å; I119-R123 WeakPolarHBondContact O-CG 3.24Å; I119-R123 PolarHBondContact O-N 3.1Å
120	H	93.3	Very high	94.4	Very high	129 Å²	129	55.4 Å²	55.4	60%	0.597	28%	0.279	S	S	*	.	H	α-helix	trans	-61.3	-45.6	179	-169	83.7	0	0	0	111.6	L116 F117 F118 I122 R123 F124	L116-H120 PolarHBondContact O-N 3.16Å; F117-H120 WeakPolarHBondContact O-CB 3.38Å; F117-H120 PolarHBondContact O-N 3.33Å; F117-H120 VanDerWaalsContact O-N 3.14Å; F118-H120 VanDerWaalsContact C-N 3.3Å; F118-H120 PolarHBondContact O-N 3.43Å; H120-I122 PolarHBondContact O-N 2.93Å; H120-R123 PolarHBondContact O-N 2.94Å; H120-F124 VanDerWaalsContact O-CB 3.3Å; H120-F124 WeakPolarHBondContact O-CB 3.31Å; H120-F124 PolarHBondContact O-N 2.91Å
121	V	94.9	Very high	94.5	Very high	58 Å²	58	57 Å²	57	35%	0.352	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-44.7	176.6	173	0	0	0	0	111.4	F117 F118 F124 S125	F117-V121 HydrophobicContact CD1-CG2 4.22Å; F117-V121 HydrophobicContact CE1-CG2 3.81Å; F117-V121 HydrophobicContact CE2-CG2 4.13Å; F117-V121 HydrophobicContact CZ-CG2 3.76Å; F117-V121 WeakPolarHBondContact O-CG2 3.45Å; F117-V121 PolarHBondContact O-N 3.2Å; F118-V121 PolarHBondContact O-N 2.95Å; V121-F124 PolarHBondContact O-N 3.46Å; V121-S125 WeakPolarHBondContact O-CB 3.47Å; V121-S125 PolarHBondContact O-N 3.24Å; V121-S125 PolarHBondContact O-OG 3.03Å
122	I	93.7	Very high	94.5	Very high	50 Å²	50	61.1 Å²	61.1	26%	0.256	31%	0.309	S	S	.	.	H	α-helix	trans	-65.3	-43.1	178.4	-64.8	164.9	0	0	0	110.7	P56 F118 I119 H120 S125 L126 L157	P56-I122 HydrophobicContact CG-CB 4.25Å; P56-I122 HydrophobicContact CG-CG2 3.34Å; F118-I122 VanDerWaalsContact O-CG1 3.28Å; F118-I122 WeakPolarHBondContact O-CG1 3.45Å; F118-I122 PolarHBondContact O-N 3.3Å; I119-I122 PolarHBondContact O-N 3.49Å; H120-I122 PolarHBondContact O-N 2.93Å; I122-S125 WeakPolarHBondContact O-CB 3.41Å; I122-S125 PolarHBondContact O-N 2.9Å; I122-L126 HydrophobicContact CG2-CD1 4.36Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 PolarHBondContact O-N 3.06Å; I122-L157 HydrophobicContact CG2-CB 4.22Å; I122-L157 HydrophobicContact CG2-CD2 4.18Å
123	R	94.1	Very high	94.5	Very high	47 Å²	47	60.4 Å²	60.4	18%	0.177	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-43.8	176.9	-77.7	177.4	170.1	176.4	-6.1	112.4	T52 E53 Y55 I119 H120 S125 L126 K127	T52-R123 PolarHBondContact O-NH2 3.16Å; E53-R123 PolarHBondContact O-NH1 3.48Å; E53-R123 PolarHBondContact O-NH2 3.3Å; Y55-R123 PolarHBondContact O-NE 2.75Å; Y55-R123 PolarHBondContact O-NH2 3.23Å; I119-R123 HydrophobicContact CG2-CG 4.4Å; I119-R123 WeakPolarHBondContact O-CB 3.39Å; I119-R123 WeakPolarHBondContact O-CG 3.24Å; I119-R123 PolarHBondContact O-N 3.1Å; H120-R123 PolarHBondContact O-N 2.94Å; R123-S125 VanDerWaalsContact C-N 3.32Å; R123-L126 PolarHBondContact O-N 3.5Å; R123-K127 WeakPolarHBondContact O-CB 3.29Å; R123-K127 PolarHBondContact O-N 3.14Å
124	F	94.8	Very high	94.4	Very high	121 Å²	121	58.8 Å²	58.8	53%	0.531	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-43.5	175.9	-177.8	-105.3	0	0	0	111	H120 V121 K127 I128	H120-F124 VanDerWaalsContact O-CB 3.3Å; H120-F124 WeakPolarHBondContact O-CB 3.31Å; H120-F124 PolarHBondContact O-N 2.91Å; V121-F124 PolarHBondContact O-N 3.46Å; F124-K127 WeakPolarHBondContact O-CB 3.4Å; F124-K127 PolarHBondContact O-N 3.49Å; F124-I128 HydrophobicContact CD1-CD1 3.74Å; F124-I128 HydrophobicContact CE1-CD1 3.29Å; F124-I128 HydrophobicContact CE1-CG1 4.3Å; F124-I128 HydrophobicContact CE2-CD1 4.48Å; F124-I128 HydrophobicContact CZ-CD1 3.71Å; F124-I128 HydrophobicContact CZ-CG1 4.37Å; F124-I128 WeakPolarHBondContact O-CG1 3.46Å; F124-I128 PolarHBondContact O-N 3.42Å
125	S	95.8	Very high	94.2	Very high	41 Å²	41	57.4 Å²	57.4	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-45.7	174.7	-57.7	0	0	0	0	111.9	V121 I122 R123 K127 I128 L129	V121-S125 WeakPolarHBondContact O-CB 3.47Å; V121-S125 PolarHBondContact O-N 3.24Å; V121-S125 PolarHBondContact O-OG 3.03Å; I122-S125 WeakPolarHBondContact O-CB 3.41Å; I122-S125 PolarHBondContact O-N 2.9Å; R123-S125 VanDerWaalsContact C-N 3.32Å; S125-K127 VanDerWaalsContact C-N 3.32Å; S125-K127 PolarHBondContact O-N 3.12Å; S125-I128 PolarHBondContact O-N 3.14Å; S125-L129 VanDerWaalsContact O-CG 3.31Å; S125-L129 WeakPolarHBondContact O-CG 3.39Å; S125-L129 PolarHBondContact O-N 3.2Å
126	L	95.4	Very high	94.1	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-44.1	173.2	-83.8	174.7	0	0	0	111.4	P56 I122 R123 I128 L129 L130 L157 A170	P56-L126 HydrophobicContact CG-CD1 4.19Å; I122-L126 HydrophobicContact CG2-CD1 4.36Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 PolarHBondContact O-N 3.06Å; R123-L126 PolarHBondContact O-N 3.5Å; L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 PolarHBondContact O-N 3.36Å; L126-L129 PolarHBondContact O-N 3.18Å; L126-L130 VanDerWaalsContact O-CB 3.3Å; L126-L130 WeakPolarHBondContact O-CB 3.37Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.08Å; L126-L157 HydrophobicContact CD1-CB 4.45Å; L126-L157 HydrophobicContact CD2-CB 3.54Å; L126-L157 HydrophobicContact CG-CB 3.79Å; L126-A170 HydrophobicContact CB-CB 4.12Å; L126-A170 HydrophobicContact CD1-CB 4.38Å
127	K	95.8	Very high	94	Very high	68 Å²	68	56.7 Å²	56.7	30%	0.296	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-42.7	178.2	-173.2	179	-179.2	-176.8	0	111.8	R123 F124 S125 L130 S131 A170	R123-K127 WeakPolarHBondContact O-CB 3.29Å; R123-K127 PolarHBondContact O-N 3.14Å; F124-K127 WeakPolarHBondContact O-CB 3.4Å; F124-K127 PolarHBondContact O-N 3.49Å; S125-K127 VanDerWaalsContact C-N 3.32Å; S125-K127 PolarHBondContact O-N 3.12Å; K127-L130 PolarHBondContact O-N 3.41Å; K127-S131 WeakPolarHBondContact O-CB 3.27Å; K127-S131 PolarHBondContact O-N 3.15Å; K127-S131 PolarHBondContact O-OG 3.23Å; K127-A170 VanDerWaalsContact CA-O 3.26Å; K127-A170 WeakPolarHBondContact CA-O 3.4Å; K127-A170 WeakPolarHBondContact CB-O 3.42Å
128	I	95.7	Very high	93.7	Very high	94 Å²	94	52.2 Å²	52.2	48%	0.482	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-49.3	173.9	-69.4	168.3	0	0	0	110.3	F124 S125 L126 L130 S131	F124-I128 HydrophobicContact CD1-CD1 3.74Å; F124-I128 HydrophobicContact CE1-CD1 3.29Å; F124-I128 HydrophobicContact CE1-CG1 4.3Å; F124-I128 HydrophobicContact CE2-CD1 4.48Å; F124-I128 HydrophobicContact CZ-CD1 3.71Å; F124-I128 HydrophobicContact CZ-CG1 4.37Å; F124-I128 WeakPolarHBondContact O-CG1 3.46Å; F124-I128 PolarHBondContact O-N 3.42Å; S125-I128 PolarHBondContact O-N 3.14Å; L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 PolarHBondContact O-N 3.36Å; I128-L130 VanDerWaalsContact C-N 3.34Å; I128-L130 PolarHBondContact O-N 3.47Å; I128-S131 WeakPolarHBondContact O-CB 3.44Å; I128-S131 PolarHBondContact O-N 3.24Å; I128-S131 VanDerWaalsContact O-N 3.14Å
129	L	96.1	Very high	92.9	Very high	29 Å²	29	50.6 Å²	50.6	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-44.2	178.9	-70.2	170.5	0	0	0	111.7	S125 L126 S131 Y132 W150 L153 V154 L157	S125-L129 VanDerWaalsContact O-CG 3.31Å; S125-L129 WeakPolarHBondContact O-CG 3.39Å; S125-L129 PolarHBondContact O-N 3.2Å; L126-L129 PolarHBondContact O-N 3.18Å; L129-S131 PolarHBondContact O-N 3.49Å; L129-Y132 WeakPolarHBondContact O-CB 3.41Å; L129-Y132 PolarHBondContact O-N 2.91Å; L129-Y132 VanDerWaalsContact O-N 3.12Å; L129-W150 PolarHBondContact O-NE1 3.41Å; L129-L153 HydrophobicContact CD1-CB 3.97Å; L129-L153 HydrophobicContact CD2-CB 4.29Å; L129-L153 HydrophobicContact CD2-CD1 4.29Å; L129-V154 HydrophobicContact CB-CG2 3.87Å; L129-V154 HydrophobicContact CD1-CG2 4.24Å; L129-L157 HydrophobicContact CD1-CD1 3.69Å
130	L	95.8	Very high	91.7	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-71.6	-18.3	179.4	-66.9	175.2	0	0	0	112.7	L126 K127 I128 Y132 H133 V154 P172 V300 P301	L126-L130 VanDerWaalsContact O-CB 3.3Å; L126-L130 WeakPolarHBondContact O-CB 3.37Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.08Å; K127-L130 PolarHBondContact O-N 3.41Å; I128-L130 VanDerWaalsContact C-N 3.34Å; I128-L130 PolarHBondContact O-N 3.47Å; L130-Y132 PolarHBondContact O-N 2.74Å; L130-H133 PolarHBondContact O-CE1 2.86Å; L130-V154 HydrophobicContact CD2-CG1 4.31Å; L130-P172 HydrophobicContact CB-CG 4.46Å; L130-V300 HydrophobicContact CD2-CG1 4.26Å; L130-P301 HydrophobicContact CD1-CG 3.86Å; L130-P301 HydrophobicContact CD2-CG 4.2Å
131	S	95.1	Very high	90.4	Very high	61 Å²	61	55.7 Å²	55.7	43%	0.427	31%	0.307	S	S	.	.	H	α-helix	trans	-73.3	-17.9	171.2	-57.1	0	0	0	0	112.4	K127 I128 L129 H133	K127-S131 WeakPolarHBondContact O-CB 3.27Å; K127-S131 PolarHBondContact O-N 3.15Å; K127-S131 PolarHBondContact O-OG 3.23Å; I128-S131 WeakPolarHBondContact O-CB 3.44Å; I128-S131 PolarHBondContact O-N 3.24Å; I128-S131 VanDerWaalsContact O-N 3.14Å; L129-S131 PolarHBondContact O-N 3.49Å; S131-H133 PolarHBondContact O-CE1 2.77Å; S131-H133 PolarHBondContact O-N 3.16Å; S131-H133 PolarHBondContact O-ND1 2.93Å
132	Y	93.9	Very high	89.6	Confident	88 Å²	88	60.9 Å²	60.9	35%	0.345	32%	0.324	S	S	.	.			trans	-79.8	118.7	173.2	174.7	-105.6	0	0	0	111	L129 L130 W135 W150	L129-Y132 WeakPolarHBondContact O-CB 3.41Å; L129-Y132 PolarHBondContact O-N 2.91Å; L129-Y132 VanDerWaalsContact O-N 3.12Å; L130-Y132 PolarHBondContact O-N 2.74Å; Y132-W135 HydrophobicContact CE1-CB 4.31Å; Y132-W135 PolarHBondContact O-NE1 3.32Å; Y132-W135 VanDerWaalsContact O-NE1 3.14Å; Y132-W150 AromaticContact CD1-CD1 3.77Å; Y132-W150 HydrophobicContact CD1-CD2 4Å; Y132-W150 AromaticContact CD1-CE2 3.96Å; Y132-W150 AromaticContact CD1-CG 3.93Å; Y132-W150 HydrophobicContact CD1-CG 3.93Å; Y132-W150 AromaticContact CD1-NE1 3.76Å; Y132-W150 HydrophobicContact CE1-CD2 4.43Å; Y132-W150 HydrophobicContact CE1-CG 4.36Å
133	H	93.2	Very high	89.2	Confident	24 Å²	24	62 Å²	62	11%	0.111	33%	0.329	C	S	.	.			trans	-113.7	1.7	-179	-62.7	92.7	0	0	0	113.9	L130 S131 W135 I136 F595 T647	L130-H133 PolarHBondContact O-CE1 2.86Å; S131-H133 PolarHBondContact O-CE1 2.77Å; S131-H133 PolarHBondContact O-N 3.16Å; S131-H133 PolarHBondContact O-ND1 2.93Å; H133-W135 PolarHBondContact O-N 3.36Å; H133-I136 VanDerWaalsContact O-CG2 3.3Å; H133-I136 WeakPolarHBondContact O-CG2 3.47Å; H133-I136 PolarHBondContact O-N 3.39Å; H133-F595 AromaticContact CE1-CE1 3.51Å; H133-F595 AromaticContact CE1-CZ 3.5Å; H133-F595 VanDerWaalsContact CE1-CZ 3.5Å; H133-F595 WeakPolarHBondContact CE1-CZ 3.06Å; H133-F595 AromaticContact NE2-CE1 3.88Å; H133-F595 AromaticContact NE2-CZ 3.63Å; H133-T647 HydrophobicContact CB-CG2 3.51Å
134	G	90.8	Very high	89	Confident	25 Å²	25	68.3 Å²	68.3	26%	0.258	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-57.8	-26	-176.3	0	0	0	0	0	114	I136 F137	G134-I136 PolarHBondContact O-N 2.97Å; G134-F137 PolarHBondContact O-N 3.4Å
135	W	91.1	Very high	88.9	Confident	15 Å²	15	67.7 Å²	67.7	6%	0.057	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-58.6	-29.8	176.3	63.3	-94.9	0	0	0	114.1	Y132 H133 F137 E138 T147 W150 A296 L297 V300 M594	Y132-W135 HydrophobicContact CE1-CB 4.31Å; Y132-W135 PolarHBondContact O-NE1 3.32Å; Y132-W135 VanDerWaalsContact O-NE1 3.14Å; H133-W135 PolarHBondContact O-N 3.36Å; W135-F137 VanDerWaalsContact C-N 3.28Å; W135-F137 PolarHBondContact O-N 3.47Å; W135-E138 PolarHBondContact O-N 3.35Å; W135-T147 HydrophobicContact CB-CG2 3.59Å; W135-W150 HydrophobicContact CB-CE3 4.2Å; W135-W150 HydrophobicContact CB-CH2 4.38Å; W135-W150 HydrophobicContact CB-CZ3 3.82Å; W135-W150 AromaticContact CD1-CH2 3.2Å; W135-W150 AromaticContact CD1-CZ2 3.55Å; W135-W150 AromaticContact CD1-CZ3 3.53Å; W135-W150 AromaticContact CD2-CH2 3.99Å; W135-W150 HydrophobicContact CD2-CH2 3.99Å; W135-W150 HydrophobicContact CD2-CZ3 4.15Å; W135-W150 AromaticContact CE2-CH2 3.87Å; W135-W150 HydrophobicContact CG-CE3 4.28Å; W135-W150 AromaticContact CG-CH2 3.62Å; W135-W150 HydrophobicContact CG-CH2 3.62Å; W135-W150 HydrophobicContact CG-CZ2 4.37Å; W135-W150 AromaticContact CG-CZ3 3.55Å; W135-W150 HydrophobicContact CG-CZ3 3.55Å; W135-W150 AromaticContact NE1-CH2 3.35Å; W135-W150 VanDerWaalsContact NE1-CH2 3.35Å; W135-W150 AromaticContact NE1-CZ2 3.66Å; W135-A296 HydrophobicContact CH2-CB 4.49Å; W135-L297 HydrophobicContact CE3-CD1 3.88Å; W135-L297 HydrophobicContact CZ3-CD1 3.5Å; W135-L297 HydrophobicContact CZ3-CG 4.22Å; W135-V300 HydrophobicContact CH2-CG2 4.21Å; W135-V300 HydrophobicContact CZ2-CB 4.27Å; W135-V300 HydrophobicContact CZ2-CG1 4.24Å; W135-V300 HydrophobicContact CZ2-CG2 3.71Å; W135-M594 HydrophobicContact CH2-SD 4.1Å; W135-M594 HydrophobicContact CZ2-SD 3.78Å
136	I	91.8	Very high	88.7	Confident	24 Å²	24	69.1 Å²	69.1	12%	0.123	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-75.7	-20.8	-176.4	-155	178.1	0	0	0	112.1	H133 G134 M594 R643 M646 T647	H133-I136 VanDerWaalsContact O-CG2 3.3Å; H133-I136 WeakPolarHBondContact O-CG2 3.47Å; H133-I136 PolarHBondContact O-N 3.39Å; G134-I136 PolarHBondContact O-N 2.97Å; I136-M594 HydrophobicContact CD1-CE 4.45Å; I136-R643 HydrophobicContact CD1-CG 4.32Å; I136-R643 HydrophobicContact CG1-CG 4.15Å; I136-R643 HydrophobicContact CG2-CB 4.12Å; I136-R643 HydrophobicContact CG2-CG 4.3Å; I136-R643 WeakPolarHBondContact O-CD 3.22Å; I136-R643 PolarHBondContact O-NE 2.85Å; I136-M646 HydrophobicContact CD1-CB 4.46Å; I136-M646 HydrophobicContact CD1-CE 4.35Å; I136-M646 HydrophobicContact CD1-SD 4.02Å; I136-T647 HydrophobicContact CG2-CG2 3.82Å
137	F	91.3	Very high	88.5	Confident	77 Å²	77	69 Å²	69	34%	0.338	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-90.1	-7.8	179.9	-61.4	-83.6	0	0	0	112.9	G134 W135 R643 L644 T647	G134-F137 PolarHBondContact O-N 3.4Å; W135-F137 VanDerWaalsContact C-N 3.28Å; W135-F137 PolarHBondContact O-N 3.47Å; F137-R643 HydrophobicContact CD1-CB 3.99Å; F137-R643 HydrophobicContact CE1-CB 3.5Å; F137-R643 HydrophobicContact CZ-CB 3.94Å; F137-L644 HydrophobicContact CE1-CD2 4.05Å; F137-L644 HydrophobicContact CE1-CG 4.11Å; F137-L644 HydrophobicContact CZ-CD2 3.92Å; F137-L644 HydrophobicContact CZ-CG 4.32Å; F137-T647 HydrophobicContact CE2-CG2 4.32Å
138	E	87.9	Confident	88.3	Confident	30 Å²	30	70.9 Å²	70.9	14%	0.14	38%	0.377	C	S	.	.	S	Bend	trans	-74.9	140.2	176	-64.6	-173.2	-173.4	0	0	111.1	W135 M143 R144 T147	W135-E138 PolarHBondContact O-N 3.35Å; E138-M143 WeakPolarHBondContact OE2-CA 3.33Å; E138-R144 PolarHBondContact OE2-N 2.91Å; E138-T147 VanDerWaalsContact CD-OG1 3.3Å; E138-T147 WeakPolarHBondContact OE1-CB 2.92Å; E138-T147 PolarHBondContact OE1-OG1 3Å
139	S	76.3	Confident	88.2	Confident	69 Å²	69	69.9 Å²	69.9	48%	0.483	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-63.1	139.3	176.6	57.1	0	0	0	0	111.4	G141 K142	S139-G141 PolarHBondContact O-N 2.84Å; S139-K142 PolarHBondContact O-N 3.15Å; S139-K142 VanDerWaalsContact O-N 3.14Å
140	H	68.1	Low	88.2	Confident	158 Å²	158	69.3 Å²	69.3	73%	0.731	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	132.3	176.1	-83.5	-69.5	0	0	0	111.8	K142	H140-K142 VanDerWaalsContact C-N 3.3Å; H140-K142 PolarHBondContact O-N 3.12Å
141	G	67.9	Low	88.1	Confident	83 Å²	83	70.6 Å²	70.6	86%	0.856	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-14.4	179	0	0	0	0	0	115.5	S139	S139-G141 PolarHBondContact O-N 2.84Å
142	K	76.5	Confident	88	Confident	167 Å²	167	76.6 Å²	76.6	73%	0.726	39%	0.391	S	S	*	.			trans	-118.8	71.2	178.4	-61.5	-178.1	179	-178.9	0	111	S139 H140	S139-K142 PolarHBondContact O-N 3.15Å; S139-K142 VanDerWaalsContact O-N 3.14Å; H140-K142 VanDerWaalsContact C-N 3.3Å; H140-K142 PolarHBondContact O-N 3.12Å
143	M	85.3	Confident	88	Confident	73 Å²	73	75.6 Å²	75.6	36%	0.36	39%	0.391	S	S	.	.			trans	-80.9	130.5	175.6	-79	-178	167.2	0	0	112.1	E138 T147 K148 L151	E138-M143 WeakPolarHBondContact OE2-CA 3.33Å; M143-T147 HydrophobicContact CG-CG2 4.41Å; M143-T147 HydrophobicContact SD-CG2 4.43Å; M143-K148 HydrophobicContact CB-CG 4.1Å; M143-K148 VanDerWaalsContact O-CE 3.3Å; M143-K148 WeakPolarHBondContact O-CE 3.24Å; M143-L151 HydrophobicContact CE-CD1 3.89Å; M143-L151 HydrophobicContact SD-CD1 3.58Å; M143-L151 VanDerWaalsContact SD-CD1 3.58Å
144	R	90.8	Very high	88	Confident	180 Å²	180	74.4 Å²	74.4	68%	0.679	39%	0.386	S	S	*	.			trans	-64.4	152.4	173.4	-66.1	-177.8	176.6	-166.6	0.3	110.8	E138 S146 T147 K148	E138-R144 PolarHBondContact OE2-N 2.91Å; R144-S146 PolarHBondContact O-N 3.31Å; R144-T147 PolarHBondContact O-N 3.36Å; R144-T147 VanDerWaalsContact O-N 3.1Å; R144-K148 PolarHBondContact O-N 3.26Å
145	T	91.4	Very high	88.1	Confident	108 Å²	108	79.4 Å²	79.4	66%	0.663	40%	0.4	S	S	*	.	H	α-helix	trans	-58.6	-37.6	177.6	-52.1	0	0	0	0	111.8	T147 K148 V149	T145-T147 PolarHBondContact O-N 3.07Å; T145-K148 PolarHBondContact O-N 3.3Å; T145-V149 WeakPolarHBondContact O-CG2 3.2Å; T145-V149 PolarHBondContact O-N 2.55Å
146	S	91.6	Very high	88.1	Confident	71 Å²	71	84.8 Å²	84.8	50%	0.497	43%	0.428	S	S	.	.	H	α-helix	trans	-57.9	-46.7	173.7	53.1	0	0	0	0	112.4	R144 V149 W150	R144-S146 PolarHBondContact O-N 3.31Å; S146-V149 PolarHBondContact O-N 3.35Å; S146-W150 WeakPolarHBondContact O-CB 3.28Å; S146-W150 PolarHBondContact O-N 2.95Å
147	T	92.2	Very high	88.1	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-67.4	-35.8	177.7	-66.6	0	0	0	0	112	W135 E138 M143 R144 T145 W150 L151	W135-T147 HydrophobicContact CB-CG2 3.59Å; E138-T147 VanDerWaalsContact CD-OG1 3.3Å; E138-T147 WeakPolarHBondContact OE1-CB 2.92Å; E138-T147 PolarHBondContact OE1-OG1 3Å; M143-T147 HydrophobicContact CG-CG2 4.41Å; M143-T147 HydrophobicContact SD-CG2 4.43Å; R144-T147 PolarHBondContact O-N 3.36Å; R144-T147 VanDerWaalsContact O-N 3.1Å; T145-T147 PolarHBondContact O-N 3.07Å; T147-W150 HydrophobicContact CG2-CE3 4.35Å; T147-W150 PolarHBondContact O-N 3.35Å; T147-L151 HydrophobicContact CG2-CD1 4.49Å; T147-L151 WeakPolarHBondContact O-CB 3.35Å; T147-L151 WeakPolarHBondContact O-CG 3.47Å; T147-L151 PolarHBondContact O-N 2.86Å
148	K	91.8	Very high	88.1	Confident	107 Å²	107	81.9 Å²	81.9	47%	0.465	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-42.8	171.7	-67.4	176.8	-176.1	172.1	0	112	M143 R144 T145 L151 R152	M143-K148 HydrophobicContact CB-CG 4.1Å; M143-K148 VanDerWaalsContact O-CE 3.3Å; M143-K148 WeakPolarHBondContact O-CE 3.24Å; R144-K148 PolarHBondContact O-N 3.26Å; T145-K148 PolarHBondContact O-N 3.3Å; K148-L151 PolarHBondContact O-N 3.48Å; K148-R152 WeakPolarHBondContact O-CG 3.33Å; K148-R152 PolarHBondContact O-N 3.18Å
149	V	94.2	Very high	87.9	Confident	73 Å²	73	81.9 Å²	81.9	44%	0.442	42%	0.424	S	S	.	.	H	α-helix	trans	-63.6	-48.5	175.4	170.8	0	0	0	0	110.2	T145 S146 L151 R152 L153	T145-V149 WeakPolarHBondContact O-CG2 3.2Å; T145-V149 PolarHBondContact O-N 2.55Å; S146-V149 PolarHBondContact O-N 3.35Å; V149-L151 PolarHBondContact O-N 3.18Å; V149-R152 WeakPolarHBondContact O-CB 3.32Å; V149-R152 PolarHBondContact O-N 3.04Å; V149-R152 VanDerWaalsContact O-N 3.12Å; V149-L153 HydrophobicContact CG1-CD1 4.04Å; V149-L153 HydrophobicContact CG1-CG 4.37Å; V149-L153 WeakPolarHBondContact O-CG 3.33Å; V149-L153 PolarHBondContact O-N 3.33Å
150	W	95.1	Very high	88.1	Confident	16 Å²	16	90 Å²	90	6%	0.061	44%	0.444	C	S	.	.	H	α-helix	trans	-55.1	-47.6	174.9	168.8	86.9	0	0	0	112.1	L129 Y132 W135 S146 T147 R152 L153 V154 V300	L129-W150 PolarHBondContact O-NE1 3.41Å; Y132-W150 AromaticContact CD1-CD1 3.77Å; Y132-W150 HydrophobicContact CD1-CD2 4Å; Y132-W150 AromaticContact CD1-CE2 3.96Å; Y132-W150 AromaticContact CD1-CG 3.93Å; Y132-W150 HydrophobicContact CD1-CG 3.93Å; Y132-W150 AromaticContact CD1-NE1 3.76Å; Y132-W150 HydrophobicContact CE1-CD2 4.43Å; Y132-W150 HydrophobicContact CE1-CG 4.36Å; W135-W150 HydrophobicContact CB-CE3 4.2Å; W135-W150 HydrophobicContact CB-CH2 4.38Å; W135-W150 HydrophobicContact CB-CZ3 3.82Å; W135-W150 AromaticContact CD1-CH2 3.2Å; W135-W150 AromaticContact CD1-CZ2 3.55Å; W135-W150 AromaticContact CD1-CZ3 3.53Å; W135-W150 AromaticContact CD2-CH2 3.99Å; W135-W150 HydrophobicContact CD2-CH2 3.99Å; W135-W150 HydrophobicContact CD2-CZ3 4.15Å; W135-W150 AromaticContact CE2-CH2 3.87Å; W135-W150 HydrophobicContact CG-CE3 4.28Å; W135-W150 AromaticContact CG-CH2 3.62Å; W135-W150 HydrophobicContact CG-CH2 3.62Å; W135-W150 HydrophobicContact CG-CZ2 4.37Å; W135-W150 AromaticContact CG-CZ3 3.55Å; W135-W150 HydrophobicContact CG-CZ3 3.55Å; W135-W150 AromaticContact NE1-CH2 3.35Å; W135-W150 VanDerWaalsContact NE1-CH2 3.35Å; W135-W150 AromaticContact NE1-CZ2 3.66Å; S146-W150 WeakPolarHBondContact O-CB 3.28Å; S146-W150 PolarHBondContact O-N 2.95Å; T147-W150 HydrophobicContact CG2-CE3 4.35Å; T147-W150 PolarHBondContact O-N 3.35Å; W150-R152 VanDerWaalsContact C-N 3.31Å; W150-R152 PolarHBondContact O-N 3.06Å; W150-L153 PolarHBondContact O-N 3.41Å; W150-L153 VanDerWaalsContact O-N 3.15Å; W150-V154 HydrophobicContact CD2-CG2 4.12Å; W150-V154 HydrophobicContact CG-CG2 4.46Å; W150-V154 HydrophobicContact CZ2-CG2 3.82Å; W150-V154 WeakPolarHBondContact O-CG2 3.47Å; W150-V154 PolarHBondContact O-N 3.34Å; W150-V300 HydrophobicContact CH2-CG2 3.62Å; W150-V300 HydrophobicContact CZ2-CG2 4.27Å
151	L	92.9	Very high	89	Confident	33 Å²	33	93.7 Å²	93.7	17%	0.173	45%	0.452	C	S	.	.	H	α-helix	trans	-58.1	-42.3	176.4	-83.1	171.1	0	0	0	112.1	M143 T147 K148 V149 K155 T299	M143-L151 HydrophobicContact CE-CD1 3.89Å; M143-L151 HydrophobicContact SD-CD1 3.58Å; M143-L151 VanDerWaalsContact SD-CD1 3.58Å; T147-L151 HydrophobicContact CG2-CD1 4.49Å; T147-L151 WeakPolarHBondContact O-CB 3.35Å; T147-L151 WeakPolarHBondContact O-CG 3.47Å; T147-L151 PolarHBondContact O-N 2.86Å; K148-L151 PolarHBondContact O-N 3.48Å; V149-L151 PolarHBondContact O-N 3.18Å; L151-K155 WeakPolarHBondContact O-CB 3.33Å; L151-K155 VanDerWaalsContact O-CG 3.29Å; L151-K155 WeakPolarHBondContact O-CG 3.48Å; L151-K155 PolarHBondContact O-N 3.18Å; L151-T299 HydrophobicContact CD2-CG2 3.9Å
152	R	93.1	Very high	90.1	Very high	188 Å²	188	91 Å²	91	71%	0.709	42%	0.419	S	S	*	.	H	α-helix	trans	-64.2	-43.6	176.4	-72.5	175.9	-177.7	-176.9	0.3	111.2	K148 V149 W150 K155 M156	K148-R152 WeakPolarHBondContact O-CG 3.33Å; K148-R152 PolarHBondContact O-N 3.18Å; V149-R152 WeakPolarHBondContact O-CB 3.32Å; V149-R152 PolarHBondContact O-N 3.04Å; V149-R152 VanDerWaalsContact O-N 3.12Å; W150-R152 VanDerWaalsContact C-N 3.31Å; W150-R152 PolarHBondContact O-N 3.06Å; R152-K155 PolarHBondContact O-N 3.45Å; R152-M156 VanDerWaalsContact O-CB 3.27Å; R152-M156 WeakPolarHBondContact O-CB 3.21Å; R152-M156 PolarHBondContact O-N 2.68Å
153	L	94.9	Very high	91	Very high	66 Å²	66	84.5 Å²	84.5	35%	0.346	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-46.6	177.2	-69.1	173.9	0	0	0	111.8	L129 V149 W150 K155 M156 L157	L129-L153 HydrophobicContact CD1-CB 3.97Å; L129-L153 HydrophobicContact CD2-CB 4.29Å; L129-L153 HydrophobicContact CD2-CD1 4.29Å; V149-L153 HydrophobicContact CG1-CD1 4.04Å; V149-L153 HydrophobicContact CG1-CG 4.37Å; V149-L153 WeakPolarHBondContact O-CG 3.33Å; V149-L153 PolarHBondContact O-N 3.33Å; W150-L153 PolarHBondContact O-N 3.41Å; W150-L153 VanDerWaalsContact O-N 3.15Å; L153-K155 PolarHBondContact O-N 2.89Å; L153-M156 HydrophobicContact CD2-CE 3.94Å; L153-M156 PolarHBondContact O-N 3.42Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.26Å
154	V	94.1	Very high	91.4	Very high	0 Å²	0	81.1 Å²	81.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-58.5	-48.6	175.4	172.3	0	0	0	0	110	L129 L130 W150 M156 L157 S158 T299	L129-V154 HydrophobicContact CB-CG2 3.87Å; L129-V154 HydrophobicContact CD1-CG2 4.24Å; L130-V154 HydrophobicContact CD2-CG1 4.31Å; W150-V154 HydrophobicContact CD2-CG2 4.12Å; W150-V154 HydrophobicContact CG-CG2 4.46Å; W150-V154 HydrophobicContact CZ2-CG2 3.82Å; W150-V154 WeakPolarHBondContact O-CG2 3.47Å; W150-V154 PolarHBondContact O-N 3.34Å; V154-M156 VanDerWaalsContact C-N 3.34Å; V154-M156 PolarHBondContact O-N 2.93Å; V154-L157 PolarHBondContact O-N 2.97Å; V154-S158 WeakPolarHBondContact O-CA 3.36Å; V154-S158 WeakPolarHBondContact O-CB 3.43Å; V154-S158 PolarHBondContact O-N 2.96Å; V154-S158 PolarHBondContact O-OG 3.25Å; V154-T299 HydrophobicContact CG1-CG2 3.96Å
155	K	92.1	Very high	91.6	Very high	129 Å²	129	74.6 Å²	74.6	56%	0.561	35%	0.351	S	S	*	.	H	α-helix	trans	-61.4	-41	178.4	-75.3	178.8	179.4	-176.8	0	112.8	L151 R152 L153 T299	L151-K155 WeakPolarHBondContact O-CB 3.33Å; L151-K155 VanDerWaalsContact O-CG 3.29Å; L151-K155 WeakPolarHBondContact O-CG 3.48Å; L151-K155 PolarHBondContact O-N 3.18Å; R152-K155 PolarHBondContact O-N 3.45Å; L153-K155 PolarHBondContact O-N 2.89Å; K155-T299 WeakPolarHBondContact CE-OG1 3.45Å; K155-T299 HydrophobicContact CG-CG2 3.88Å
156	M	91.7	Very high	91.8	Very high	129 Å²	129	69.6 Å²	69.6	64%	0.635	32%	0.321	S	S	*	.	H	α-helix	trans	-64.5	-47.5	179.1	-178.4	-174.5	75.6	0	0	111.7	R152 L153 V154	R152-M156 VanDerWaalsContact O-CB 3.27Å; R152-M156 WeakPolarHBondContact O-CB 3.21Å; R152-M156 PolarHBondContact O-N 2.68Å; L153-M156 HydrophobicContact CD2-CE 3.94Å; L153-M156 PolarHBondContact O-N 3.42Å; V154-M156 VanDerWaalsContact C-N 3.34Å; V154-M156 PolarHBondContact O-N 2.93Å
157	L	92	Very high	91.9	Very high	35 Å²	35	66.3 Å²	66.3	18%	0.183	30%	0.298	C	S	.	.	H	α-helix	trans	-79.9	-20.4	-177.9	-63.4	-176	0	0	0	113	P56 I122 L126 L129 L153 V154 G159	P56-L157 VanDerWaalsContact CB-O 3.3Å; P56-L157 WeakPolarHBondContact CB-O 3.39Å; P56-L157 VanDerWaalsContact CG-O 3.27Å; P56-L157 WeakPolarHBondContact CG-O 3.39Å; I122-L157 HydrophobicContact CG2-CB 4.22Å; I122-L157 HydrophobicContact CG2-CD2 4.18Å; L126-L157 HydrophobicContact CD1-CB 4.45Å; L126-L157 HydrophobicContact CD2-CB 3.54Å; L126-L157 HydrophobicContact CG-CB 3.79Å; L129-L157 HydrophobicContact CD1-CD1 3.69Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.26Å; V154-L157 PolarHBondContact O-N 2.97Å; L157-G159 PolarHBondContact O-N 3.28Å
158	S	89.6	Confident	92	Very high	5 Å²	5	67.2 Å²	67.2	4%	0.035	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	8.6	-178.5	-71.3	0	0	0	0	114.3	Y55 V154	Y55-S158 VanDerWaalsContact CZ-O 3.25Å; Y55-S158 PolarHBondContact OH-O 3.47Å; V154-S158 WeakPolarHBondContact O-CA 3.36Å; V154-S158 WeakPolarHBondContact O-CB 3.43Å; V154-S158 PolarHBondContact O-N 2.96Å; V154-S158 PolarHBondContact O-OG 3.25Å
159	G	83.7	Confident	92	Very high	30 Å²	30	64.4 Å²	64.4	31%	0.309	30%	0.299	S	S	.	.			trans	60.6	-175.2	174.3	0	0	0	0	0	115.4	L157	L157-G159 PolarHBondContact O-N 3.28Å
160	R	81.8	Confident	92	Very high	238 Å²	238	61 Å²	61	90%	0.898	28%	0.279	S	S	*	.	S	Bend	trans	-112.7	140.8	178.1	-64.3	-176.5	-179.4	-177.7	0.6	110.4
161	R	85.8	Confident	92	Very high	236 Å²	236	60.5 Å²	60.5	89%	0.891	28%	0.277	S	S	*	.	S	Bend	trans	52.6	65.3	174.6	-59.2	-178.8	-178.7	176.1	0.1	113.7
162	P	92.4	Very high	92.2	Very high	26 Å²	26	59 Å²	59	17%	0.169	27%	0.27	C	S	.	.			trans	-60.7	145.8	173.7	30.5	-40	0	0	0	112.1	Y55 F167 P293	Y55-P162 HydrophobicContact CE2-CB 4.08Å; Y55-P162 WeakPolarHBondContact OH-CB 3.3Å; P162-F167 HydrophobicContact CB-CD2 4.25Å; P162-F167 HydrophobicContact CB-CE2 3.53Å; P162-F167 HydrophobicContact CB-CZ 4.27Å; P162-F167 HydrophobicContact CG-CE2 3.97Å; P162-P293 HydrophobicContact CB-CG 3.69Å; P162-P293 HydrophobicContact CG-CG 3.59Å
163	L	94.4	Very high	92.3	Very high	32 Å²	32	55.3 Å²	55.3	17%	0.168	26%	0.255	C	S	.	.			trans	-86.4	169	161.7	-64.7	-179.6	0	0	0	109.8	N48 L51 Y165 S166 G289	N48-L163 HydrophobicContact CB-CD1 3.86Å; L51-L163 HydrophobicContact CB-CD1 4.06Å; L51-L163 HydrophobicContact CD1-CD1 4.42Å; L163-Y165 PolarHBondContact O-N 3.36Å; L163-Y165 VanDerWaalsContact O-N 3.08Å; L163-S166 PolarHBondContact N-OG 2.79Å; L163-S166 VanDerWaalsContact O-CB 3.31Å; L163-S166 WeakPolarHBondContact O-CB 3.27Å; L163-S166 PolarHBondContact O-N 3.22Å; L163-S166 PolarHBondContact O-OG 3.29Å; L163-G289 VanDerWaalsContact CB-O 3.32Å; L163-G289 WeakPolarHBondContact CB-O 3.48Å
164	L	94.8	Very high	92.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-38.8	-172.2	-178.8	58.1	0	0	0	113.5	L286 G289 L291 S304 M307	L164-L286 HydrophobicContact CD2-CD1 3.56Å; L164-G289 PolarHBondContact N-O 2.77Å; L164-L291 WeakPolarHBondContact CA-O 3.43Å; L164-L291 HydrophobicContact CB-CB 4.35Å; L164-L291 VanDerWaalsContact CB-O 3.31Å; L164-L291 WeakPolarHBondContact CB-O 3.45Å; L164-L291 HydrophobicContact CD1-CB 4.1Å; L164-L291 HydrophobicContact CD2-CB 4.2Å; L164-L291 HydrophobicContact CD2-CD1 4.31Å; L164-L291 HydrophobicContact CG-CB 4.45Å; L164-L291 PolarHBondContact N-O 3.39Å; L164-S304 WeakPolarHBondContact CD1-OG 3.15Å; L164-S304 PolarHBondContact O-OG 3.24Å; L164-S304 VanDerWaalsContact O-OG 3.12Å; L164-M307 HydrophobicContact CD1-SD 3.68Å; L164-M307 HydrophobicContact CD2-SD 4.11Å; L164-M307 HydrophobicContact CG-SD 4.43Å
165	Y	95.1	Very high	92.5	Very high	43 Å²	43	55.3 Å²	55.3	17%	0.169	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	3	-174.6	-55.4	-64.5	0	0	0	113.6	T52 L163 F167 Q168 E308	T52-Y165 VanDerWaalsContact CG2-C 3.46Å; T52-Y165 WeakPolarHBondContact CG2-O 3.45Å; L163-Y165 PolarHBondContact O-N 3.36Å; L163-Y165 VanDerWaalsContact O-N 3.08Å; Y165-F167 PolarHBondContact O-N 3.36Å; Y165-Q168 HydrophobicContact CD1-CG 4.16Å; Y165-Q168 PolarHBondContact O-N 3.17Å; Y165-E308 HydrophobicContact CE1-CG 3.82Å; Y165-E308 WeakPolarHBondContact CE1-OE1 3.46Å; Y165-E308 WeakPolarHBondContact OH-CG 3.3Å
166	S	94.4	Very high	92.7	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.028	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.8	-174	-75.2	0	0	0	0	114.4	Y55 L163	Y55-S166 VanDerWaalsContact CD1-O 3.3Å; Y55-S166 WeakPolarHBondContact CD1-O 3.43Å; L163-S166 PolarHBondContact N-OG 2.79Å; L163-S166 VanDerWaalsContact O-CB 3.31Å; L163-S166 WeakPolarHBondContact O-CB 3.27Å; L163-S166 PolarHBondContact O-N 3.22Å; L163-S166 PolarHBondContact O-OG 3.29Å
167	F	94.8	Very high	93	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-8.4	-178.1	-67.3	-76.9	0	0	0	114.5	Y55 P162 Y165 A169 A170 L171 P293 R295 P301	Y55-F167 HydrophobicContact CE1-CD1 4.14Å; Y55-F167 AromaticContact CE1-CE1 3.68Å; Y55-F167 HydrophobicContact CE1-CE1 3.68Å; Y55-F167 HydrophobicContact CE1-CE2 4.25Å; Y55-F167 AromaticContact CE1-CZ 3.73Å; Y55-F167 HydrophobicContact CE1-CZ 3.73Å; Y55-F167 AromaticContact CZ-CZ 3.93Å; Y55-F167 WeakPolarHBondContact OH-CZ 3.5Å; P162-F167 HydrophobicContact CB-CD2 4.25Å; P162-F167 HydrophobicContact CB-CE2 3.53Å; P162-F167 HydrophobicContact CB-CZ 4.27Å; P162-F167 HydrophobicContact CG-CE2 3.97Å; Y165-F167 PolarHBondContact O-N 3.36Å; F167-A169 VanDerWaalsContact C-N 3.26Å; F167-A169 PolarHBondContact O-N 3.19Å; F167-A169 VanDerWaalsContact O-N 3.14Å; F167-A170 CarbonylContact O-C 3.56Å; F167-A170 WeakPolarHBondContact O-CA 3.37Å; F167-A170 PolarHBondContact O-N 3.26Å; F167-L171 WeakPolarHBondContact O-CG 3.47Å; F167-L171 PolarHBondContact O-N 3.28Å; F167-P293 HydrophobicContact CD2-CB 4.31Å; F167-P293 HydrophobicContact CD2-CG 4.03Å; F167-P293 HydrophobicContact CE2-CG 4.02Å; F167-R295 VanDerWaalsContact CZ-NH2 3.31Å; F167-P301 HydrophobicContact CB-CB 3.7Å; F167-P301 HydrophobicContact CB-CG 3.94Å; F167-P301 HydrophobicContact CD1-CB 4Å; F167-P301 HydrophobicContact CD1-CG 3.71Å; F167-P301 HydrophobicContact CD2-CB 3.6Å; F167-P301 HydrophobicContact CD2-CG 4.25Å; F167-P301 HydrophobicContact CE1-CG 4.27Å; F167-P301 HydrophobicContact CE2-CB 4.21Å; F167-P301 HydrophobicContact CG-CB 3.48Å; F167-P301 VanDerWaalsContact CG-CB 3.48Å; F167-P301 HydrophobicContact CG-CG 3.7Å
168	Q	94	Very high	93.2	Very high	19 Å²	19	52.4 Å²	52.4	9%	0.089	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.6	-171.3	-64.7	-48.2	-36.8	0	0	113.3	Y165 A170 C303 S304 R596	Y165-Q168 HydrophobicContact CD1-CG 4.16Å; Y165-Q168 PolarHBondContact O-N 3.17Å; Q168-A170 VanDerWaalsContact C-N 3.32Å; Q168-A170 PolarHBondContact O-N 3.38Å; Q168-C303 PolarHBondContact OE1-SG 3.4Å; Q168-S304 PolarHBondContact NE2-OG 2.94Å; Q168-R596 WeakPolarHBondContact O-CD 3.24Å
169	A	90.9	Very high	93.6	Very high	48 Å²	48	53 Å²	53	40%	0.397	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-21.9	177.4	0	0	0	0	0	113.8	F167	F167-A169 VanDerWaalsContact C-N 3.26Å; F167-A169 PolarHBondContact O-N 3.19Å; F167-A169 VanDerWaalsContact O-N 3.14Å
170	A	94	Very high	94.3	Very high	3 Å²	3	57 Å²	57	3%	0.025	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.7	-179	0	0	0	0	0	113.3	L126 K127 F167 Q168	L126-A170 HydrophobicContact CB-CB 4.12Å; L126-A170 HydrophobicContact CD1-CB 4.38Å; K127-A170 VanDerWaalsContact CA-O 3.26Å; K127-A170 WeakPolarHBondContact CA-O 3.4Å; K127-A170 WeakPolarHBondContact CB-O 3.42Å; F167-A170 CarbonylContact O-C 3.56Å; F167-A170 WeakPolarHBondContact O-CA 3.37Å; F167-A170 PolarHBondContact O-N 3.26Å; Q168-A170 VanDerWaalsContact C-N 3.32Å; Q168-A170 PolarHBondContact O-N 3.38Å
171	L	96.1	Very high	95	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	23%	0.225	C	C	.	.	S	Bend	trans	-65.7	140.1	177.7	-72.3	173.9	0	0	0	111.3	F167 P301 C303 R596	F167-L171 WeakPolarHBondContact O-CG 3.47Å; F167-L171 PolarHBondContact O-N 3.28Å; L171-P301 HydrophobicContact CD2-CB 4.44Å; L171-P301 HydrophobicContact CD2-CG 4.06Å; L171-C303 HydrophobicContact CD1-CB 3.77Å; L171-R596 HydrophobicContact CB-CB 4Å
172	P	95.9	Very high	95.6	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.019	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-67.5	157.8	174.6	29.2	-34.5	0	0	0	111.4	L130 M594 F595 R596	L130-P172 HydrophobicContact CB-CG 4.46Å; P172-M594 WeakPolarHBondContact CD-O 3.37Å; P172-F595 HydrophobicContact CB-CD1 4.13Å; P172-F595 HydrophobicContact CB-CE1 4.48Å; P172-F595 HydrophobicContact CG-CD1 3.76Å; P172-F595 HydrophobicContact CG-CE1 4.13Å; P172-F595 CarbonylContact O-C 3.58Å; P172-F595 WeakPolarHBondContact O-CA 3.11Å; P172-R596 PolarHBondContact O-N 3.34Å
173	R	95.5	Very high	95.9	Very high	109 Å²	109	36.2 Å²	36.2	41%	0.411	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-78.3	150.4	168.1	-60.6	-174.5	-175.6	170	-1.4	108.9	S225 W226 T228 T229 F595	R173-S225 PolarHBondContact NH1-O 3.04Å; R173-W226 VanDerWaalsContact NH1-C 3.34Å; R173-W226 PolarHBondContact NH1-O 3.45Å; R173-T228 PolarHBondContact NE-O 3.08Å; R173-T229 WeakPolarHBondContact CG-O 3.45Å; R173-F595 VanDerWaalsContact O-CD1 3.28Å; R173-F595 WeakPolarHBondContact O-CD1 3.26Å
174	L	96.8	Very high	96	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.052	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-61.6	125.9	173.8	-172.1	71.8	0	0	0	109.5	Y231 V232 T592 F595	L174-Y231 HydrophobicContact CB-CD1 4.35Å; L174-Y231 HydrophobicContact CB-CE1 4.09Å; L174-Y231 HydrophobicContact CD2-CD1 4.39Å; L174-Y231 HydrophobicContact CD2-CE1 3.74Å; L174-Y231 HydrophobicContact CG-CE1 3.82Å; L174-V232 HydrophobicContact CD2-CB 4.19Å; L174-V232 HydrophobicContact CD2-CG2 3.59Å; L174-T592 HydrophobicContact CD1-CG2 4.3Å; L174-F595 HydrophobicContact CB-CB 4.12Å; L174-F595 HydrophobicContact CB-CG 4.2Å; L174-F595 HydrophobicContact CD1-CB 4.22Å; L174-F595 HydrophobicContact CD1-CD1 4.45Å; L174-F595 HydrophobicContact CD1-CD2 3.31Å; L174-F595 HydrophobicContact CD1-CE2 3.71Å; L174-F595 HydrophobicContact CD1-CG 3.73Å; L174-F595 HydrophobicContact CD1-CZ 4.43Å
175	P	96.1	Very high	96.2	Very high	57 Å²	57	42.3 Å²	42.3	37%	0.37	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-71.7	148.4	179.8	29.5	-35.3	0	0	0	111.2	P177 Y231 F595	P175-P177 WeakPolarHBondContact O-CD 3.5Å; P175-Y231 VanDerWaalsContact O-CE1 3.24Å; P175-Y231 WeakPolarHBondContact O-CE1 3.5Å; P175-Y231 PolarHBondContact O-OH 3.36Å; P175-F595 VanDerWaalsContact CD-CE1 3.43Å; P175-F595 HydrophobicContact CG-CE1 4.33Å; P175-F595 HydrophobicContact CG-CZ 4.31Å
176	V	97.6	Very high	96.3	Very high	30 Å²	30	40.3 Å²	40.3	18%	0.182	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-87.1	117.5	170.7	-172.5	0	0	0	0	108.2	L221 V222 Y231	V176-L221 HydrophobicContact CG1-CD2 3.86Å; V176-L221 HydrophobicContact CG1-CG 4Å; V176-V222 HydrophobicContact CB-CG2 4.48Å; V176-V222 HydrophobicContact CG1-CG2 4.36Å; V176-Y231 HydrophobicContact CG2-CD1 3.83Å; V176-Y231 HydrophobicContact CG2-CE1 3.89Å; V176-Y231 HydrophobicContact CG2-CG 4.18Å
177	P	97.3	Very high	96.5	Very high	17 Å²	17	40.7 Å²	40.7	11%	0.11	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-63.3	161.4	178.3	-21.5	33.2	0	0	0	112.5	P175 Q218 Y231 H654	P175-P177 WeakPolarHBondContact O-CD 3.5Å; P177-Q218 PolarHBondContact O-NE2 2.92Å; P177-Y231 WeakPolarHBondContact CD-OH 3.44Å; P177-H654 HydrophobicContact CG-CB 4.07Å; P177-H654 PolarHBondContact O-CE1 3.47Å
178	R	97.3	Very high	96.6	Very high	184 Å²	184	44.4 Å²	44.4	69%	0.694	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-77.7	136.6	171.4	-64	176.4	174.4	-178.9	-2.1	109.6	K180 D181 T182	R178-K180 VanDerWaalsContact C-N 3.26Å; R178-K180 PolarHBondContact O-N 3.11Å; R178-D181 HydrophobicContact CB-CB 4.43Å; R178-D181 PolarHBondContact O-N 2.9Å; R178-D181 VanDerWaalsContact O-N 3.16Å; R178-T182 PolarHBondContact O-N 3.05Å; R178-T182 PolarHBondContact O-OG1 3.42Å
179	V	97.7	Very high	96.8	Very high	19 Å²	19	44.1 Å²	44.1	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-52.8	-45	175.8	175.5	0	0	0	0	111.6	D181 T182 I183 F209 K210 A214 Q218	V179-D181 PolarHBondContact O-N 2.62Å; V179-T182 WeakPolarHBondContact O-CB 3.43Å; V179-T182 PolarHBondContact O-N 3.38Å; V179-T182 VanDerWaalsContact O-N 3.16Å; V179-I183 HydrophobicContact CG1-CG1 4.05Å; V179-I183 WeakPolarHBondContact O-CG1 3.06Å; V179-I183 PolarHBondContact O-N 3.4Å; V179-F209 HydrophobicContact CG1-CE1 4.27Å; V179-K210 HydrophobicContact CG1-CG 4.33Å; V179-A214 HydrophobicContact CB-CB 4.39Å; V179-A214 HydrophobicContact CG1-CB 3.53Å; V179-A214 HydrophobicContact CG2-CB 4.09Å; V179-Q218 HydrophobicContact CG2-CB 3.95Å; V179-Q218 HydrophobicContact CG2-CG 4Å; V179-Q218 VanDerWaalsContact CG2-OE1 3.26Å
180	K	97.3	Very high	97	Very high	112 Å²	112	41.9 Å²	41.9	49%	0.487	20%	0.195	S	C	.	.	H	α-helix	trans	-53.2	-52.5	178.8	179.7	179.5	173.9	-178	0	111.4	R178 T182 I183 E184	R178-K180 VanDerWaalsContact C-N 3.26Å; R178-K180 PolarHBondContact O-N 3.11Å; K180-T182 VanDerWaalsContact C-N 3.3Å; K180-T182 PolarHBondContact O-N 3.02Å; K180-I183 PolarHBondContact O-N 2.69Å; K180-E184 WeakPolarHBondContact CE-OE1 3.45Å; K180-E184 VanDerWaalsContact CG-OE1 3.28Å; K180-E184 WeakPolarHBondContact CG-OE1 3.28Å; K180-E184 IonicContact NZ-OE1 2.84Å; K180-E184 WeakPolarHBondContact O-CG 3.5Å; K180-E184 PolarHBondContact O-N 3.46Å
181	D	97.1	Very high	97.2	Very high	59 Å²	59	45.7 Å²	45.7	32%	0.316	21%	0.209	S	C	.	.	H	α-helix	trans	-64.6	-36.9	-179	-51.9	-11.7	0	0	0	111.3	R178 V179 K185	R178-D181 HydrophobicContact CB-CB 4.43Å; R178-D181 PolarHBondContact O-N 2.9Å; R178-D181 VanDerWaalsContact O-N 3.16Å; V179-D181 PolarHBondContact O-N 2.62Å; D181-K185 WeakPolarHBondContact O-CB 3.22Å; D181-K185 WeakPolarHBondContact O-CD 3.41Å; D181-K185 VanDerWaalsContact O-CG 3.24Å; D181-K185 WeakPolarHBondContact O-CG 3.43Å; D181-K185 PolarHBondContact O-N 2.82Å; D181-K185 VanDerWaalsContact O-N 3.08Å
182	T	97.9	Very high	97.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-44.9	176.3	-68.7	0	0	0	0	112.1	R178 V179 K180 Y186 I651 H654 L655	R178-T182 PolarHBondContact O-N 3.05Å; R178-T182 PolarHBondContact O-OG1 3.42Å; V179-T182 WeakPolarHBondContact O-CB 3.43Å; V179-T182 PolarHBondContact O-N 3.38Å; V179-T182 VanDerWaalsContact O-N 3.16Å; K180-T182 VanDerWaalsContact C-N 3.3Å; K180-T182 PolarHBondContact O-N 3.02Å; T182-Y186 VanDerWaalsContact O-CB 3.25Å; T182-Y186 WeakPolarHBondContact O-CB 3.42Å; T182-Y186 PolarHBondContact O-N 2.94Å; T182-I651 HydrophobicContact CG2-CB 4.05Å; T182-I651 HydrophobicContact CG2-CG2 4.19Å; T182-H654 PolarHBondContact OG1-ND1 3Å; T182-L655 HydrophobicContact CG2-CD1 4.08Å; T182-L655 HydrophobicContact CG2-CD2 3.73Å; T182-L655 HydrophobicContact CG2-CG 3.68Å
183	I	98.2	Very high	97.2	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-44.4	179.5	-65.3	-59.5	0	0	0	111.4	V179 K180 K185 Y186 L187 A206 F209 F671	V179-I183 HydrophobicContact CG1-CG1 4.05Å; V179-I183 WeakPolarHBondContact O-CG1 3.06Å; V179-I183 PolarHBondContact O-N 3.4Å; K180-I183 PolarHBondContact O-N 2.69Å; I183-K185 PolarHBondContact O-N 3.22Å; I183-Y186 PolarHBondContact O-N 2.85Å; I183-L187 HydrophobicContact CG2-CD1 4.07Å; I183-L187 HydrophobicContact CG2-CG 4.47Å; I183-L187 WeakPolarHBondContact O-CG 3.48Å; I183-L187 PolarHBondContact O-N 3.33Å; I183-A206 HydrophobicContact CD1-CB 4.46Å; I183-A206 HydrophobicContact CG2-CB 3.83Å; I183-F209 HydrophobicContact CD1-CD1 3.76Å; I183-F209 HydrophobicContact CD1-CE1 4.17Å; I183-F209 HydrophobicContact CG1-CD1 4.42Å; I183-F671 HydrophobicContact CD1-CD1 4.36Å; I183-F671 HydrophobicContact CD1-CE1 3.41Å; I183-F671 VanDerWaalsContact CD1-CE1 3.41Å; I183-F671 HydrophobicContact CD1-CE2 4.3Å; I183-F671 HydrophobicContact CD1-CZ 3.37Å
184	E	97.8	Very high	97.2	Very high	99 Å²	99	45.2 Å²	45.2	46%	0.463	22%	0.215	S	C	.	.	H	α-helix	trans	-59.8	-47.2	177.6	-74	170.6	-172.5	0	0	111.5	K180 L187 E188	K180-E184 WeakPolarHBondContact CE-OE1 3.45Å; K180-E184 VanDerWaalsContact CG-OE1 3.28Å; K180-E184 WeakPolarHBondContact CG-OE1 3.28Å; K180-E184 IonicContact NZ-OE1 2.84Å; K180-E184 WeakPolarHBondContact O-CG 3.5Å; K180-E184 PolarHBondContact O-N 3.46Å; E184-L187 PolarHBondContact O-N 2.99Å; E184-E188 WeakPolarHBondContact O-CB 3.21Å; E184-E188 PolarHBondContact O-N 3.25Å
185	K	97.8	Very high	97.2	Very high	62 Å²	62	48.3 Å²	48.3	27%	0.27	23%	0.232	S	C	.	.	H	α-helix	trans	-67.8	-35.4	176.5	-71.8	171.3	-178.1	171.3	0	113	D181 I183 E188 S189 S649 I651	D181-K185 WeakPolarHBondContact O-CB 3.22Å; D181-K185 WeakPolarHBondContact O-CD 3.41Å; D181-K185 VanDerWaalsContact O-CG 3.24Å; D181-K185 WeakPolarHBondContact O-CG 3.43Å; D181-K185 PolarHBondContact O-N 2.82Å; D181-K185 VanDerWaalsContact O-N 3.08Å; I183-K185 PolarHBondContact O-N 3.22Å; K185-E188 PolarHBondContact O-N 2.83Å; K185-S189 WeakPolarHBondContact O-CB 3.45Å; K185-S189 PolarHBondContact O-N 3.08Å; K185-S649 PolarHBondContact NZ-O 2.89Å; K185-I651 HydrophobicContact CB-CD1 4.42Å; K185-I651 HydrophobicContact CB-CG2 3.79Å; K185-I651 HydrophobicContact CD-CG2 3.92Å
186	Y	97.9	Very high	97.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-51.6	175.2	170.3	-99.1	0	0	0	110.4	T182 I183 E188 S189 V190 M202 L655 F671 V675	T182-Y186 VanDerWaalsContact O-CB 3.25Å; T182-Y186 WeakPolarHBondContact O-CB 3.42Å; T182-Y186 PolarHBondContact O-N 2.94Å; I183-Y186 PolarHBondContact O-N 2.85Å; Y186-E188 VanDerWaalsContact C-N 3.3Å; Y186-E188 PolarHBondContact O-N 2.95Å; Y186-S189 WeakPolarHBondContact O-CB 3.43Å; Y186-S189 PolarHBondContact O-N 2.7Å; Y186-S189 PolarHBondContact O-OG 3.04Å; Y186-V190 HydrophobicContact CD2-CG1 4.17Å; Y186-V190 HydrophobicContact CE1-CG1 4.24Å; Y186-V190 HydrophobicContact CE1-CG2 4.13Å; Y186-V190 HydrophobicContact CE2-CG1 3.5Å; Y186-V190 PolarHBondContact O-N 2.92Å; Y186-M202 HydrophobicContact CE1-CE 4.5Å; Y186-M202 HydrophobicContact CE1-CG 3.67Å; Y186-M202 HydrophobicContact CE1-SD 3.69Å; Y186-M202 WeakPolarHBondContact OH-CE 3.48Å; Y186-M202 PolarHBondContact OH-SD 3.25Å; Y186-L655 HydrophobicContact CD2-CD1 4.23Å; Y186-F671 AromaticContact CD1-CE2 3.69Å; Y186-F671 HydrophobicContact CD1-CE2 3.69Å; Y186-F671 AromaticContact CD1-CZ 3.8Å; Y186-F671 HydrophobicContact CD1-CZ 3.8Å; Y186-F671 AromaticContact CE1-CE2 3.55Å; Y186-F671 HydrophobicContact CE1-CE2 3.55Å; Y186-F671 HydrophobicContact CE1-CZ 4.05Å; Y186-F671 HydrophobicContact CG-CZ 4.28Å; Y186-V675 HydrophobicContact CD2-CG1 4.22Å; Y186-V675 HydrophobicContact CD2-CG2 4.37Å; Y186-V675 HydrophobicContact CE1-CG2 4.03Å; Y186-V675 HydrophobicContact CE2-CB 4.28Å; Y186-V675 HydrophobicContact CE2-CG1 3.75Å; Y186-V675 HydrophobicContact CE2-CG2 3.71Å
187	L	98.2	Very high	97.2	Very high	12 Å²	12	57 Å²	57	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-39.3	177.5	-69.8	174.7	0	0	0	111.5	I183 E184 S189 R191 Y199 M202 E203 A206	I183-L187 HydrophobicContact CG2-CD1 4.07Å; I183-L187 HydrophobicContact CG2-CG 4.47Å; I183-L187 WeakPolarHBondContact O-CG 3.48Å; I183-L187 PolarHBondContact O-N 3.33Å; E184-L187 PolarHBondContact O-N 2.99Å; L187-S189 VanDerWaalsContact C-N 3.32Å; L187-S189 PolarHBondContact O-N 3Å; L187-R191 PolarHBondContact O-N 3.33Å; L187-Y199 VanDerWaalsContact O-CE2 3.29Å; L187-Y199 WeakPolarHBondContact O-CE2 3.37Å; L187-Y199 PolarHBondContact O-OH 2.91Å; L187-M202 HydrophobicContact CD2-CG 4.03Å; L187-E203 HydrophobicContact CD2-CB 4.43Å; L187-A206 HydrophobicContact CD1-CB 4.22Å; L187-A206 HydrophobicContact CD2-CB 4.01Å; L187-A206 HydrophobicContact CG-CB 4.26Å
188	E	97.8	Very high	97.1	Very high	79 Å²	79	61.4 Å²	61.4	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-42.2	172	-172.8	-176.2	-160.9	0	0	111.9	E184 K185 Y186 K637	E184-E188 WeakPolarHBondContact O-CB 3.21Å; E184-E188 PolarHBondContact O-N 3.25Å; K185-E188 PolarHBondContact O-N 2.83Å; Y186-E188 VanDerWaalsContact C-N 3.3Å; Y186-E188 PolarHBondContact O-N 2.95Å; E188-K637 IonicContact OE1-NZ 3.93Å; E188-K637 PolarHBondContact OE1-NZ 2.88Å; E188-K637 IonicContact OE2-NZ 3.93Å; E188-K637 PolarHBondContact OE2-NZ 3.44Å
189	S	97.1	Very high	97.1	Very high	13 Å²	13	54.7 Å²	54.7	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-71.3	-30.2	-175.8	78.2	0	0	0	0	114.4	K185 Y186 L187 R604	K185-S189 WeakPolarHBondContact O-CB 3.45Å; K185-S189 PolarHBondContact O-N 3.08Å; Y186-S189 WeakPolarHBondContact O-CB 3.43Å; Y186-S189 PolarHBondContact O-N 2.7Å; Y186-S189 PolarHBondContact O-OG 3.04Å; L187-S189 VanDerWaalsContact C-N 3.32Å; L187-S189 PolarHBondContact O-N 3Å; S189-R604 WeakPolarHBondContact OG-CD 3.39Å; S189-R604 PolarHBondContact OG-NH1 2.89Å
190	V	96.6	Very high	97.1	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-92.6	-10.2	-178.9	-60.2	0	0	0	0	113.1	Y186 L193 L194 Y199 M202	Y186-V190 HydrophobicContact CD2-CG1 4.17Å; Y186-V190 HydrophobicContact CE1-CG1 4.24Å; Y186-V190 HydrophobicContact CE1-CG2 4.13Å; Y186-V190 HydrophobicContact CE2-CG1 3.5Å; Y186-V190 PolarHBondContact O-N 2.92Å; V190-L193 WeakPolarHBondContact O-CB 3.39Å; V190-L193 PolarHBondContact O-N 3.32Å; V190-L194 HydrophobicContact CB-CD1 4.06Å; V190-L194 HydrophobicContact CB-CG 4.43Å; V190-L194 HydrophobicContact CG2-CD1 3.95Å; V190-L194 PolarHBondContact O-N 2.85Å; V190-Y199 HydrophobicContact CG2-CE2 4.38Å; V190-M202 HydrophobicContact CG2-CG 4.44Å
191	R	96.9	Very high	97.1	Very high	84 Å²	84	60.5 Å²	60.5	32%	0.317	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-53	-45.5	178.6	-177.2	61.2	-147.8	170.4	4.1	114.4	L187 L193 D196 Y199	L187-R191 PolarHBondContact O-N 3.33Å; R191-L193 PolarHBondContact O-N 3.46Å; R191-D196 IonicContact CZ-OD1 3.96Å; R191-D196 IonicContact NH1-OD1 3.52Å; R191-D196 PolarHBondContact NH1-OD1 3.07Å; R191-D196 IonicContact NH2-OD1 3.02Å; R191-D196 PolarHBondContact NH2-OD1 3.34Å; R191-Y199 HydrophobicContact CB-CD2 4.26Å; R191-Y199 HydrophobicContact CB-CE2 3.74Å; R191-Y199 HydrophobicContact CG-CE2 4.21Å
192	P	96.6	Very high	97.1	Very high	26 Å²	26	58.2 Å²	58.2	17%	0.169	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-73.2	-10.2	177.8	30.9	-37.4	0	0	0	113.8	C606 A611	P192-C606 WeakPolarHBondContact CG-O 3.43Å; P192-A611 HydrophobicContact CB-CB 3.83Å
193	L	96.1	Very high	97.1	Very high	45 Å²	45	61.6 Å²	61.6	24%	0.236	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-97.5	-16.5	-175.7	-52.9	179.8	0	0	0	112.9	V190 R191 F583 L585 C606	V190-L193 WeakPolarHBondContact O-CB 3.39Å; V190-L193 PolarHBondContact O-N 3.32Å; R191-L193 PolarHBondContact O-N 3.46Å; L193-F583 HydrophobicContact CD2-CB 4.05Å; L193-L585 HydrophobicContact CD1-CB 4.02Å; L193-L585 HydrophobicContact CD1-CD1 3.63Å; L193-L585 HydrophobicContact CD1-CG 4.42Å; L193-C606 HydrophobicContact CD2-CB 4.31Å
194	L	95.6	Very high	97.1	Very high	35 Å²	35	65.7 Å²	65.7	18%	0.183	31%	0.313	C	S	.	.	S	Bend	trans	-121.8	139.5	-171.2	-60.2	180	0	0	0	111.2	V190 K198 M202	V190-L194 HydrophobicContact CB-CD1 4.06Å; V190-L194 HydrophobicContact CB-CG 4.43Å; V190-L194 HydrophobicContact CG2-CD1 3.95Å; V190-L194 PolarHBondContact O-N 2.85Å; L194-K198 HydrophobicContact CB-CB 4.16Å; L194-K198 HydrophobicContact CD2-CB 4.16Å; L194-K198 HydrophobicContact CD2-CD 4.38Å; L194-M202 HydrophobicContact CD1-CB 4.15Å
195	D	95.7	Very high	97.1	Very high	74 Å²	74	63.8 Å²	63.8	40%	0.396	31%	0.305	S	S	.	.			trans	-66.9	164.5	164.2	61	60	0	0	0	111.4	K197 K198 Y199	D195-K197 VanDerWaalsContact C-N 3.25Å; D195-K197 PolarHBondContact O-N 3.17Å; D195-K197 PolarHBondContact OD1-N 3.46Å; D195-K198 PolarHBondContact O-N 3.38Å; D195-K198 WeakPolarHBondContact OD1-CB 3.48Å; D195-K198 WeakPolarHBondContact OD1-CG 3.3Å; D195-K198 PolarHBondContact OD1-N 3.24Å; D195-K198 VanDerWaalsContact OD2-CD 3.24Å; D195-K198 WeakPolarHBondContact OD2-CD 3.41Å; D195-K198 WeakPolarHBondContact OD2-CE 3.38Å; D195-K198 IonicContact OD2-NZ 3.47Å; D195-K198 PolarHBondContact OD2-NZ 3.15Å; D195-Y199 WeakPolarHBondContact O-CB 3.3Å; D195-Y199 PolarHBondContact O-N 3.11Å
196	D	96.8	Very high	97.1	Very high	111 Å²	111	60.8 Å²	60.8	59%	0.594	29%	0.292	S	S	*	.	H	α-helix	trans	-56.5	-37.7	-175.4	-73.1	-32.1	0	0	0	113.9	R191 K200	R191-D196 IonicContact CZ-OD1 3.96Å; R191-D196 IonicContact NH1-OD1 3.52Å; R191-D196 PolarHBondContact NH1-OD1 3.07Å; R191-D196 IonicContact NH2-OD1 3.02Å; R191-D196 PolarHBondContact NH2-OD1 3.34Å; D196-K200 WeakPolarHBondContact O-CB 3.45Å; D196-K200 PolarHBondContact O-N 3.35Å
197	K	97.4	Very high	97.1	Very high	160 Å²	160	64.2 Å²	64.2	70%	0.696	31%	0.308	S	S	*	.	H	α-helix	trans	-68	-48.8	-179.4	-176.4	-179.2	178.2	-179	0	110.5	D195 K200 Q201	D195-K197 VanDerWaalsContact C-N 3.25Å; D195-K197 PolarHBondContact O-N 3.17Å; D195-K197 PolarHBondContact OD1-N 3.46Å; K197-K200 PolarHBondContact O-N 3.44Å; K197-Q201 WeakPolarHBondContact O-CG 3.26Å; K197-Q201 PolarHBondContact O-N 2.87Å; K197-Q201 VanDerWaalsContact O-N 3.15Å
198	K	96.1	Very high	97	Very high	109 Å²	109	67.1 Å²	67.1	47%	0.474	32%	0.324	S	S	.	.	H	α-helix	trans	-66.8	-37.8	177.9	-70.4	175.2	-167.5	144	0	111.8	L194 D195 Q201 M202	L194-K198 HydrophobicContact CB-CB 4.16Å; L194-K198 HydrophobicContact CD2-CB 4.16Å; L194-K198 HydrophobicContact CD2-CD 4.38Å; D195-K198 PolarHBondContact O-N 3.38Å; D195-K198 WeakPolarHBondContact OD1-CB 3.48Å; D195-K198 WeakPolarHBondContact OD1-CG 3.3Å; D195-K198 PolarHBondContact OD1-N 3.24Å; D195-K198 VanDerWaalsContact OD2-CD 3.24Å; D195-K198 WeakPolarHBondContact OD2-CD 3.41Å; D195-K198 WeakPolarHBondContact OD2-CE 3.38Å; D195-K198 IonicContact OD2-NZ 3.47Å; D195-K198 PolarHBondContact OD2-NZ 3.15Å; K198-Q201 PolarHBondContact O-N 2.98Å; K198-M202 PolarHBondContact O-N 2.96Å
199	Y	97.4	Very high	97	Very high	43 Å²	43	63.5 Å²	63.5	17%	0.169	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-48.1	176.1	-173.8	-97.3	0	0	0	111.4	L187 V190 R191 D195 Q201 M202 E203	L187-Y199 VanDerWaalsContact O-CE2 3.29Å; L187-Y199 WeakPolarHBondContact O-CE2 3.37Å; L187-Y199 PolarHBondContact O-OH 2.91Å; V190-Y199 HydrophobicContact CG2-CE2 4.38Å; R191-Y199 HydrophobicContact CB-CD2 4.26Å; R191-Y199 HydrophobicContact CB-CE2 3.74Å; R191-Y199 HydrophobicContact CG-CE2 4.21Å; D195-Y199 WeakPolarHBondContact O-CB 3.3Å; D195-Y199 PolarHBondContact O-N 3.11Å; Y199-Q201 VanDerWaalsContact C-N 3.31Å; Y199-Q201 PolarHBondContact O-N 3.11Å; Y199-M202 WeakPolarHBondContact O-CB 3.43Å; Y199-M202 PolarHBondContact O-N 3.31Å; Y199-M202 VanDerWaalsContact O-N 3.1Å; Y199-E203 WeakPolarHBondContact O-CB 3.33Å; Y199-E203 PolarHBondContact O-N 3.23Å
200	K	97.8	Very high	97	Very high	143 Å²	143	66.3 Å²	66.3	62%	0.622	32%	0.317	S	S	*	.	H	α-helix	trans	-61.4	-38.4	177.3	-170.6	172.3	-174.5	175.2	0	112.4	D196 K197 E203 V204	D196-K200 WeakPolarHBondContact O-CB 3.45Å; D196-K200 PolarHBondContact O-N 3.35Å; K197-K200 PolarHBondContact O-N 3.44Å; K200-E203 PolarHBondContact O-N 3Å; K200-V204 WeakPolarHBondContact O-CG2 3.18Å; K200-V204 PolarHBondContact O-N 3.25Å; K200-V204 VanDerWaalsContact O-N 3.09Å
201	Q	96.8	Very high	97	Very high	110 Å²	110	73.1 Å²	73.1	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-43.9	173.4	-71.8	175.1	-11.7	0	0	111.7	K197 K198 Y199 V204 L205	K197-Q201 WeakPolarHBondContact O-CG 3.26Å; K197-Q201 PolarHBondContact O-N 2.87Å; K197-Q201 VanDerWaalsContact O-N 3.15Å; K198-Q201 PolarHBondContact O-N 2.98Å; Y199-Q201 VanDerWaalsContact C-N 3.31Å; Y199-Q201 PolarHBondContact O-N 3.11Å; Q201-V204 PolarHBondContact O-N 3.37Å; Q201-L205 WeakPolarHBondContact O-CG 3.45Å; Q201-L205 PolarHBondContact O-N 3.42Å; Q201-L205 VanDerWaalsContact O-N 3.08Å
202	M	97.2	Very high	96.9	Very high	10 Å²	10	74 Å²	74	5%	0.049	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-39.8	177.6	-175.2	58.2	74.3	0	0	112.2	Y186 L187 V190 L194 K198 Y199 V204 L205 A206 F671 K674	Y186-M202 HydrophobicContact CE1-CE 4.5Å; Y186-M202 HydrophobicContact CE1-CG 3.67Å; Y186-M202 HydrophobicContact CE1-SD 3.69Å; Y186-M202 WeakPolarHBondContact OH-CE 3.48Å; Y186-M202 PolarHBondContact OH-SD 3.25Å; L187-M202 HydrophobicContact CD2-CG 4.03Å; V190-M202 HydrophobicContact CG2-CG 4.44Å; L194-M202 HydrophobicContact CD1-CB 4.15Å; K198-M202 PolarHBondContact O-N 2.96Å; Y199-M202 WeakPolarHBondContact O-CB 3.43Å; Y199-M202 PolarHBondContact O-N 3.31Å; Y199-M202 VanDerWaalsContact O-N 3.1Å; M202-V204 PolarHBondContact O-N 2.96Å; M202-L205 PolarHBondContact O-N 3.3Å; M202-A206 VanDerWaalsContact O-CB 3.29Å; M202-A206 WeakPolarHBondContact O-CB 3.4Å; M202-A206 PolarHBondContact O-N 3.47Å; M202-F671 HydrophobicContact SD-CD2 4.05Å; M202-F671 HydrophobicContact SD-CE2 4.11Å; M202-K674 HydrophobicContact CE-CB 4.44Å; M202-K674 HydrophobicContact CE-CG 3.57Å
203	E	97.8	Very high	96.8	Very high	73 Å²	73	74.1 Å²	74.1	34%	0.341	36%	0.359	S	S	.	.	H	α-helix	trans	-57.6	-47.9	174.3	-179.2	175.1	-126	0	0	110.9	L187 Y199 K200 L205 A206 H207	L187-E203 HydrophobicContact CD2-CB 4.43Å; Y199-E203 WeakPolarHBondContact O-CB 3.33Å; Y199-E203 PolarHBondContact O-N 3.23Å; K200-E203 PolarHBondContact O-N 3Å; E203-L205 PolarHBondContact O-N 2.94Å; E203-A206 PolarHBondContact O-N 3.45Å; E203-H207 VanDerWaalsContact CG-CD2 3.47Å; E203-H207 WeakPolarHBondContact CG-CD2 3.23Å; E203-H207 WeakPolarHBondContact O-CB 3.45Å; E203-H207 PolarHBondContact O-CD2 2.77Å; E203-H207 PolarHBondContact O-N 3.46Å
204	V	97.9	Very high	96.8	Very high	90 Å²	90	72 Å²	72	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-58.5	-46.5	175.3	171.6	0	0	0	0	111.7	K200 Q201 M202 H207 N208	K200-V204 WeakPolarHBondContact O-CG2 3.18Å; K200-V204 PolarHBondContact O-N 3.25Å; K200-V204 VanDerWaalsContact O-N 3.09Å; Q201-V204 PolarHBondContact O-N 3.37Å; M202-V204 PolarHBondContact O-N 2.96Å; V204-H207 PolarHBondContact O-N 2.68Å; V204-N208 VanDerWaalsContact O-CB 3.3Å; V204-N208 WeakPolarHBondContact O-CB 3.36Å; V204-N208 PolarHBondContact O-N 3.45Å
205	L	97.6	Very high	96.8	Very high	59 Å²	59	73.4 Å²	73.4	31%	0.309	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-43.9	178.1	-70	178.8	0	0	0	112.1	Q201 M202 E203 N208 F209 P670 F671	Q201-L205 WeakPolarHBondContact O-CG 3.45Å; Q201-L205 PolarHBondContact O-N 3.42Å; Q201-L205 VanDerWaalsContact O-N 3.08Å; M202-L205 PolarHBondContact O-N 3.3Å; E203-L205 PolarHBondContact O-N 2.94Å; L205-N208 PolarHBondContact O-N 3.35Å; L205-F209 WeakPolarHBondContact O-CB 3.29Å; L205-F209 PolarHBondContact O-N 3.31Å; L205-P670 HydrophobicContact CD2-CB 4.13Å; L205-F671 HydrophobicContact CB-CB 4.33Å; L205-F671 HydrophobicContact CB-CD2 4.39Å
206	A	97.7	Very high	96.9	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-68.4	-37.8	-178.2	0	0	0	0	0	112.2	I183 L187 M202 E203 K210 F671	I183-A206 HydrophobicContact CD1-CB 4.46Å; I183-A206 HydrophobicContact CG2-CB 3.83Å; L187-A206 HydrophobicContact CD1-CB 4.22Å; L187-A206 HydrophobicContact CD2-CB 4.01Å; L187-A206 HydrophobicContact CG-CB 4.26Å; M202-A206 VanDerWaalsContact O-CB 3.29Å; M202-A206 WeakPolarHBondContact O-CB 3.4Å; M202-A206 PolarHBondContact O-N 3.47Å; E203-A206 PolarHBondContact O-N 3.45Å; A206-K210 WeakPolarHBondContact O-CB 3.23Å; A206-K210 PolarHBondContact O-N 2.83Å; A206-F671 HydrophobicContact CB-CD2 3.86Å; A206-F671 HydrophobicContact CB-CE2 3.56Å; A206-F671 HydrophobicContact CB-CZ 4.24Å
207	H	97.3	Very high	96.9	Very high	72 Å²	72	68.6 Å²	68.6	33%	0.333	33%	0.332	S	S	.	.	H	α-helix	trans	-68.3	-45.1	173.7	-77	-62.9	0	0	0	112.1	E203 V204 F209 K210 E211	E203-H207 VanDerWaalsContact CG-CD2 3.47Å; E203-H207 WeakPolarHBondContact CG-CD2 3.23Å; E203-H207 WeakPolarHBondContact O-CB 3.45Å; E203-H207 PolarHBondContact O-CD2 2.77Å; E203-H207 PolarHBondContact O-N 3.46Å; V204-H207 PolarHBondContact O-N 2.68Å; H207-F209 VanDerWaalsContact C-N 3.34Å; H207-F209 PolarHBondContact O-N 3.2Å; H207-K210 WeakPolarHBondContact O-CB 3.35Å; H207-K210 PolarHBondContact O-N 3.39Å; H207-K210 VanDerWaalsContact O-N 3.15Å; H207-E211 WeakPolarHBondContact O-CG 3.39Å; H207-E211 PolarHBondContact O-N 2.99Å
208	N	97.1	Very high	97	Very high	73 Å²	73	62.4 Å²	62.4	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-57.4	-47.5	175.2	-175.6	-26	0	0	0	111.1	V204 L205 K210 E211 N212	V204-N208 VanDerWaalsContact O-CB 3.3Å; V204-N208 WeakPolarHBondContact O-CB 3.36Å; V204-N208 PolarHBondContact O-N 3.45Å; L205-N208 PolarHBondContact O-N 3.35Å; N208-K210 VanDerWaalsContact C-N 3.34Å; N208-K210 PolarHBondContact O-N 2.8Å; N208-E211 PolarHBondContact O-N 3.43Å; N208-N212 WeakPolarHBondContact O-CB 3.04Å; N208-N212 PolarHBondContact O-N 3.48Å; N208-N212 PolarHBondContact O-ND2 3.35Å; N208-N212 PolarHBondContact OD1-ND2 2.9Å
209	F	98.1	Very high	97	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.009	32%	0.317	C	S	.	.	I	π-helix	trans	-54	-49.3	174.2	172.2	-103	0	0	0	112.3	V179 I183 L205 H207 E211 E213 A214 L217 L658 S669 F671 L672	V179-F209 HydrophobicContact CG1-CE1 4.27Å; I183-F209 HydrophobicContact CD1-CD1 3.76Å; I183-F209 HydrophobicContact CD1-CE1 4.17Å; I183-F209 HydrophobicContact CG1-CD1 4.42Å; L205-F209 WeakPolarHBondContact O-CB 3.29Å; L205-F209 PolarHBondContact O-N 3.31Å; H207-F209 VanDerWaalsContact C-N 3.34Å; H207-F209 PolarHBondContact O-N 3.2Å; F209-E211 VanDerWaalsContact C-N 3.31Å; F209-E211 PolarHBondContact O-N 2.85Å; F209-E213 HydrophobicContact CD2-CB 3.89Å; F209-E213 VanDerWaalsContact CD2-OE2 3.24Å; F209-E213 WeakPolarHBondContact CD2-OE2 3.5Å; F209-E213 HydrophobicContact CE2-CB 4.08Å; F209-E213 PolarHBondContact O-N 3.3Å; F209-A214 HydrophobicContact CD1-CB 3.9Å; F209-A214 HydrophobicContact CE1-CB 3.5Å; F209-A214 HydrophobicContact CE2-CB 4.29Å; F209-A214 HydrophobicContact CG-CB 4.48Å; F209-A214 HydrophobicContact CZ-CB 3.71Å; F209-A214 VanDerWaalsContact O-CB 3.3Å; F209-A214 WeakPolarHBondContact O-CB 3.41Å; F209-A214 PolarHBondContact O-N 2.88Å; F209-L217 HydrophobicContact CE2-CD1 3.77Å; F209-L217 HydrophobicContact CZ-CD1 4.14Å; F209-L658 HydrophobicContact CE1-CD1 4.41Å; F209-L658 HydrophobicContact CZ-CD1 4.15Å; F209-S669 WeakPolarHBondContact CD2-OG 3.26Å; F209-F671 HydrophobicContact CB-CB 3.78Å; F209-F671 HydrophobicContact CB-CD1 3.76Å; F209-F671 HydrophobicContact CB-CG 3.89Å; F209-F671 AromaticContact CD1-CD1 3.6Å; F209-F671 HydrophobicContact CD1-CD1 3.6Å; F209-F671 AromaticContact CD1-CE1 3.81Å; F209-F671 HydrophobicContact CD1-CE1 3.81Å; F209-F671 HydrophobicContact CD2-CB 4.46Å; F209-F671 AromaticContact CD2-CD1 3.92Å; F209-F671 HydrophobicContact CD2-CD1 3.92Å; F209-F671 HydrophobicContact CE1-CD1 4.16Å; F209-F671 HydrophobicContact CE1-CE1 4.17Å; F209-F671 HydrophobicContact CE2-CD1 4.48Å; F209-F671 HydrophobicContact CG-CB 4.23Å; F209-F671 AromaticContact CG-CD1 3.45Å; F209-F671 HydrophobicContact CG-CD1 3.45Å; F209-F671 VanDerWaalsContact CG-CD1 3.45Å; F209-F671 HydrophobicContact CG-CE1 4.16Å; F209-F671 HydrophobicContact CG-CG 4.1Å; F209-L672 HydrophobicContact CD2-CD1 4.39Å; F209-L672 HydrophobicContact CD2-CG 4.17Å; F209-L672 HydrophobicContact CE2-CD1 3.51Å; F209-L672 HydrophobicContact CE2-CD2 4.07Å; F209-L672 HydrophobicContact CE2-CG 3.65Å; F209-L672 HydrophobicContact CZ-CD1 3.97Å; F209-L672 HydrophobicContact CZ-CD2 3.95Å; F209-L672 HydrophobicContact CZ-CG 4.06Å
210	K	96.8	Very high	97	Very high	72 Å²	72	69.8 Å²	69.8	31%	0.313	33%	0.331	S	S	.	.	I	π-helix	trans	-61.5	-38.4	-178.3	178.9	-176.8	167.1	-169.6	0	112.5	V179 A206 H207 N208	V179-K210 HydrophobicContact CG1-CG 4.33Å; A206-K210 WeakPolarHBondContact O-CB 3.23Å; A206-K210 PolarHBondContact O-N 2.83Å; H207-K210 WeakPolarHBondContact O-CB 3.35Å; H207-K210 PolarHBondContact O-N 3.39Å; H207-K210 VanDerWaalsContact O-N 3.15Å; N208-K210 VanDerWaalsContact C-N 3.34Å; N208-K210 PolarHBondContact O-N 2.8Å
211	E	96	Very high	97	Very high	144 Å²	144	63 Å²	63	67%	0.673	30%	0.301	S	S	*	.	I	π-helix	trans	-80.3	-40.5	-176.5	-70.7	178.5	175.3	0	0	112.7	H207 N208 F209	H207-E211 WeakPolarHBondContact O-CG 3.39Å; H207-E211 PolarHBondContact O-N 2.99Å; N208-E211 PolarHBondContact O-N 3.43Å; F209-E211 VanDerWaalsContact C-N 3.31Å; F209-E211 PolarHBondContact O-N 2.85Å
212	N	94.5	Very high	97	Very high	103 Å²	103	60 Å²	60	55%	0.551	29%	0.29	S	S	*	.	I	π-helix	trans	-102.7	-48.1	-168.3	-61.9	-54.6	0	0	0	113.6	N208	N208-N212 WeakPolarHBondContact O-CB 3.04Å; N208-N212 PolarHBondContact O-N 3.48Å; N208-N212 PolarHBondContact O-ND2 3.35Å; N208-N212 PolarHBondContact OD1-ND2 2.9Å
213	E	95.4	Very high	97	Very high	29 Å²	29	63.1 Å²	63.1	14%	0.136	31%	0.307	C	S	.	.	I	π-helix	trans	-100	-41.3	-166.9	-63.2	165.2	-157.9	0	0	112.1	F209 S215 Q216 L217 V667 S669	F209-E213 HydrophobicContact CD2-CB 3.89Å; F209-E213 VanDerWaalsContact CD2-OE2 3.24Å; F209-E213 WeakPolarHBondContact CD2-OE2 3.5Å; F209-E213 HydrophobicContact CE2-CB 4.08Å; F209-E213 PolarHBondContact O-N 3.3Å; E213-S215 VanDerWaalsContact C-N 3.3Å; E213-S215 PolarHBondContact O-N 2.91Å; E213-Q216 PolarHBondContact O-N 3.31Å; E213-L217 PolarHBondContact O-N 2.96Å; E213-V667 HydrophobicContact CG-CG1 4.21Å; E213-S669 WeakPolarHBondContact OE2-CA 3.35Å; E213-S669 WeakPolarHBondContact OE2-CB 3.45Å; E213-S669 PolarHBondContact OE2-OG 2.9Å
214	A	96.6	Very high	96.8	Very high	1 Å²	1	61 Å²	61	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-31.7	-164.4	0	0	0	0	0	113.9	V179 F209 Q216 L217 Q218	V179-A214 HydrophobicContact CB-CB 4.39Å; V179-A214 HydrophobicContact CG1-CB 3.53Å; V179-A214 HydrophobicContact CG2-CB 4.09Å; F209-A214 HydrophobicContact CD1-CB 3.9Å; F209-A214 HydrophobicContact CE1-CB 3.5Å; F209-A214 HydrophobicContact CE2-CB 4.29Å; F209-A214 HydrophobicContact CG-CB 4.48Å; F209-A214 HydrophobicContact CZ-CB 3.71Å; F209-A214 VanDerWaalsContact O-CB 3.3Å; F209-A214 WeakPolarHBondContact O-CB 3.41Å; F209-A214 PolarHBondContact O-N 2.88Å; A214-Q216 VanDerWaalsContact C-N 3.33Å; A214-Q216 PolarHBondContact O-N 3.33Å; A214-L217 PolarHBondContact O-N 3.21Å; A214-Q218 WeakPolarHBondContact O-CB 3.44Å; A214-Q218 PolarHBondContact O-N 3.45Å
215	S	96	Very high	96.7	Very high	63 Å²	63	57.7 Å²	57.7	44%	0.441	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-39.8	-178.5	73.5	0	0	0	0	112.3	E213 R219	E213-S215 VanDerWaalsContact C-N 3.3Å; E213-S215 PolarHBondContact O-N 2.91Å; S215-R219 VanDerWaalsContact O-CG 3.27Å; S215-R219 WeakPolarHBondContact O-CG 3.49Å; S215-R219 PolarHBondContact O-N 3.01Å
216	Q	96.4	Very high	96.5	Very high	85 Å²	85	62.9 Å²	62.9	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-69.3	-51.4	176.9	-174.1	-178.4	17.1	0	0	110.1	E213 A214 Q218 R219 Y220 L665	E213-Q216 PolarHBondContact O-N 3.31Å; A214-Q216 VanDerWaalsContact C-N 3.33Å; A214-Q216 PolarHBondContact O-N 3.33Å; Q216-Q218 VanDerWaalsContact C-N 3.32Å; Q216-Q218 PolarHBondContact O-N 3.36Å; Q216-R219 PolarHBondContact O-N 3.41Å; Q216-Y220 HydrophobicContact CG-CD2 4.38Å; Q216-Y220 HydrophobicContact CG-CE2 4.09Å; Q216-Y220 WeakPolarHBondContact O-CD2 3.45Å; Q216-Y220 PolarHBondContact O-N 2.86Å; Q216-L665 HydrophobicContact CG-CD1 4.22Å
217	L	98.1	Very high	96.3	Very high	0 Å²	0	73 Å²	73	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-43	-178.3	-55.2	-177.8	0	0	0	111.9	F209 E213 A214 R219 Y220 L221 L658 V661 L665 L672	F209-L217 HydrophobicContact CE2-CD1 3.77Å; F209-L217 HydrophobicContact CZ-CD1 4.14Å; E213-L217 PolarHBondContact O-N 2.96Å; A214-L217 PolarHBondContact O-N 3.21Å; L217-R219 VanDerWaalsContact C-N 3.34Å; L217-R219 PolarHBondContact O-N 2.9Å; L217-Y220 PolarHBondContact O-N 3.04Å; L217-L221 PolarHBondContact O-N 3.37Å; L217-L658 HydrophobicContact CB-CD2 3.66Å; L217-V661 HydrophobicContact CB-CG1 4.29Å; L217-V661 HydrophobicContact CD2-CB 4.38Å; L217-V661 HydrophobicContact CD2-CG1 3.82Å; L217-L665 HydrophobicContact CD2-CD1 3.96Å; L217-L672 HydrophobicContact CD1-CD1 3.86Å
218	Q	98	Very high	96	Very high	30 Å²	30	71.1 Å²	71.1	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-40.5	178.4	-173.5	69.8	11.9	0	0	112.3	P177 V179 A214 Q216 Y220 L221 V222 H654	P177-Q218 PolarHBondContact O-NE2 2.92Å; V179-Q218 HydrophobicContact CG2-CB 3.95Å; V179-Q218 HydrophobicContact CG2-CG 4Å; V179-Q218 VanDerWaalsContact CG2-OE1 3.26Å; A214-Q218 WeakPolarHBondContact O-CB 3.44Å; A214-Q218 PolarHBondContact O-N 3.45Å; Q216-Q218 VanDerWaalsContact C-N 3.32Å; Q216-Q218 PolarHBondContact O-N 3.36Å; Q218-Y220 PolarHBondContact O-N 3.43Å; Q218-L221 PolarHBondContact O-N 3.46Å; Q218-V222 HydrophobicContact CG-CG2 4.37Å; Q218-V222 WeakPolarHBondContact O-CG2 3.28Å; Q218-V222 PolarHBondContact O-N 3.43Å; Q218-H654 PolarHBondContact OE1-CE1 3.41Å; Q218-H654 PolarHBondContact OE1-NE2 2.63Å
219	R	97.4	Very high	95.8	Very high	190 Å²	190	70.3 Å²	70.3	72%	0.717	32%	0.323	S	S	*	.	H	α-helix	trans	-61	-45.2	179.7	-75.3	169	-175.8	178.3	3.4	111.3	S215 Q216 L217 V222 L223	S215-R219 VanDerWaalsContact O-CG 3.27Å; S215-R219 WeakPolarHBondContact O-CG 3.49Å; S215-R219 PolarHBondContact O-N 3.01Å; Q216-R219 PolarHBondContact O-N 3.41Å; L217-R219 VanDerWaalsContact C-N 3.34Å; L217-R219 PolarHBondContact O-N 2.9Å; R219-V222 PolarHBondContact O-N 3.29Å; R219-L223 WeakPolarHBondContact O-CB 3.14Å; R219-L223 PolarHBondContact O-N 3.26Å
220	Y	96.9	Very high	95.7	Very high	116 Å²	116	70.5 Å²	70.5	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-39.1	176.1	-77.9	-82.2	0	0	0	112.2	Q216 L217 Q218 L223 K224 V661 L665	Q216-Y220 HydrophobicContact CG-CD2 4.38Å; Q216-Y220 HydrophobicContact CG-CE2 4.09Å; Q216-Y220 WeakPolarHBondContact O-CD2 3.45Å; Q216-Y220 PolarHBondContact O-N 2.86Å; L217-Y220 PolarHBondContact O-N 3.04Å; Q218-Y220 PolarHBondContact O-N 3.43Å; Y220-L223 WeakPolarHBondContact O-CB 3.36Å; Y220-L223 PolarHBondContact O-N 3.32Å; Y220-K224 PolarHBondContact O-N 3.17Å; Y220-V661 HydrophobicContact CG-CG1 4.37Å; Y220-L665 HydrophobicContact CD2-CD1 3.65Å; Y220-L665 HydrophobicContact CE1-CD2 4.42Å; Y220-L665 HydrophobicContact CE2-CD1 3.68Å; Y220-L665 HydrophobicContact CE2-CD2 4.05Å; Y220-L665 HydrophobicContact CG-CD1 4.4Å
221	L	96.8	Very high	95.7	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66	-42	178.3	-169.5	58	0	0	0	112.4	V176 L217 Q218 L223 K224 S225 Y231 W235 H654 C657 L658	V176-L221 HydrophobicContact CG1-CD2 3.86Å; V176-L221 HydrophobicContact CG1-CG 4Å; L217-L221 PolarHBondContact O-N 3.37Å; Q218-L221 PolarHBondContact O-N 3.46Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-K224 PolarHBondContact O-N 3.36Å; L221-S225 PolarHBondContact O-N 3.27Å; L221-Y231 HydrophobicContact CD1-CD2 3.6Å; L221-Y231 HydrophobicContact CD1-CE2 4.21Å; L221-Y231 HydrophobicContact CD1-CG 4.41Å; L221-Y231 HydrophobicContact CD2-CD2 4.37Å; L221-Y231 HydrophobicContact CD2-CE2 4.18Å; L221-Y231 HydrophobicContact CG-CD2 4.1Å; L221-Y231 HydrophobicContact CG-CE2 4.38Å; L221-W235 HydrophobicContact CD1-CZ3 4.03Å; L221-H654 VanDerWaalsContact CD2-CD2 3.47Å; L221-H654 WeakPolarHBondContact CD2-CD2 3.41Å; L221-C657 HydrophobicContact CD1-CB 3.66Å; L221-C657 HydrophobicContact CD2-CB 3.91Å; L221-C657 HydrophobicContact CG-CB 4.47Å; L221-L658 HydrophobicContact CD2-CD2 4.1Å; L221-L658 HydrophobicContact CD2-CG 4.25Å
222	V	97.6	Very high	95.8	Very high	47 Å²	47	60.7 Å²	60.7	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-43.9	172.6	170.8	0	0	0	0	110.5	V176 Q218 R219 K224 S225 W226	V176-V222 HydrophobicContact CB-CG2 4.48Å; V176-V222 HydrophobicContact CG1-CG2 4.36Å; Q218-V222 HydrophobicContact CG-CG2 4.37Å; Q218-V222 WeakPolarHBondContact O-CG2 3.28Å; Q218-V222 PolarHBondContact O-N 3.43Å; R219-V222 PolarHBondContact O-N 3.29Å; V222-K224 PolarHBondContact O-N 3.47Å; V222-S225 WeakPolarHBondContact O-CB 3.02Å; V222-S225 PolarHBondContact O-N 3.35Å; V222-S225 VanDerWaalsContact O-N 3.11Å; V222-S225 PolarHBondContact O-OG 3.33Å; V222-W226 HydrophobicContact CG1-CZ2 3.99Å; V222-W226 PolarHBondContact O-N 2.73Å
223	L	96.2	Very high	95.8	Very high	77 Å²	77	56.8 Å²	56.8	40%	0.403	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-47.1	175.6	-175.4	64.5	0	0	0	111.1	R219 Y220 L221 S225 W226 W227	R219-L223 WeakPolarHBondContact O-CB 3.14Å; R219-L223 PolarHBondContact O-N 3.26Å; Y220-L223 WeakPolarHBondContact O-CB 3.36Å; Y220-L223 PolarHBondContact O-N 3.32Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L223-S225 VanDerWaalsContact C-N 3.25Å; L223-S225 PolarHBondContact O-N 3.38Å; L223-W226 HydrophobicContact CD1-CE3 4.03Å; L223-W226 HydrophobicContact CD1-CZ3 4.43Å; L223-W226 WeakPolarHBondContact O-CB 3.45Å; L223-W226 PolarHBondContact O-N 3.15Å; L223-W227 VanDerWaalsContact O-CD1 3.23Å
224	K	95.3	Very high	95.7	Very high	28 Å²	28	59 Å²	59	12%	0.122	27%	0.273	C	S	.	.	H	α-helix	trans	-56.6	-38.2	174.9	174.6	171.8	160.4	68.8	0	112.3	Y220 L221 V222 W226 W227 T228 Y231 D234 W235	Y220-K224 PolarHBondContact O-N 3.17Å; L221-K224 PolarHBondContact O-N 3.36Å; V222-K224 PolarHBondContact O-N 3.47Å; K224-W226 PolarHBondContact O-N 2.81Å; K224-W227 PolarHBondContact O-N 3.02Å; K224-T228 HydrophobicContact CG-CG2 3.94Å; K224-T228 PolarHBondContact O-N 3.31Å; K224-T228 PolarHBondContact O-OG1 3.36Å; K224-Y231 WeakPolarHBondContact CE-O 3.38Å; K224-D234 IonicContact NZ-OD1 2.68Å; K224-D234 PolarHBondContact NZ-OD1 3.05Å; K224-D234 IonicContact NZ-OD2 3.76Å; K224-D234 PolarHBondContact NZ-OD2 3.33Å; K224-W235 HydrophobicContact CD-CD2 4.27Å; K224-W235 HydrophobicContact CD-CE3 4.08Å; K224-W235 HydrophobicContact CD-CH2 3.29Å; K224-W235 HydrophobicContact CD-CZ2 3.49Å; K224-W235 VanDerWaalsContact CD-CZ2 3.49Å; K224-W235 HydrophobicContact CD-CZ3 3.61Å
225	S	95.4	Very high	95.7	Very high	21 Å²	21	60.3 Å²	60.3	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-22	177.7	84.2	0	0	0	0	113.9	R173 L221 V222 L223	R173-S225 PolarHBondContact NH1-O 3.04Å; L221-S225 PolarHBondContact O-N 3.27Å; V222-S225 WeakPolarHBondContact O-CB 3.02Å; V222-S225 PolarHBondContact O-N 3.35Å; V222-S225 VanDerWaalsContact O-N 3.11Å; V222-S225 PolarHBondContact O-OG 3.33Å; L223-S225 VanDerWaalsContact C-N 3.25Å; L223-S225 PolarHBondContact O-N 3.38Å
226	W	93.6	Very high	95.7	Very high	167 Å²	167	58.6 Å²	58.6	63%	0.633	26%	0.261	S	S	*	.	H	α-helix	trans	-80	-33.1	176.6	-62.7	-5.6	0	0	0	112.4	R173 V222 L223 K224	R173-W226 VanDerWaalsContact NH1-C 3.34Å; R173-W226 PolarHBondContact NH1-O 3.45Å; V222-W226 HydrophobicContact CG1-CZ2 3.99Å; V222-W226 PolarHBondContact O-N 2.73Å; L223-W226 HydrophobicContact CD1-CE3 4.03Å; L223-W226 HydrophobicContact CD1-CZ3 4.43Å; L223-W226 WeakPolarHBondContact O-CB 3.45Å; L223-W226 PolarHBondContact O-N 3.15Å; K224-W226 PolarHBondContact O-N 2.81Å
227	W	92	Very high	95.7	Very high	214 Å²	214	56.5 Å²	56.5	81%	0.811	25%	0.251	S	S	*	.	H	α-helix	trans	-96.2	-12.2	-175.1	-66.4	100.2	0	0	0	114.4	L223 K224	L223-W227 VanDerWaalsContact O-CD1 3.23Å; K224-W227 PolarHBondContact O-N 3.02Å
228	T	92.7	Very high	95.6	Very high	32 Å²	32	59 Å²	59	20%	0.196	26%	0.263	C	S	.	.	S	Bend	trans	-112.6	159.4	179.8	59	0	0	0	0	112.1	R173 K224 N230	R173-T228 PolarHBondContact NE-O 3.08Å; K224-T228 HydrophobicContact CG-CG2 3.94Å; K224-T228 PolarHBondContact O-N 3.31Å; K224-T228 PolarHBondContact O-OG1 3.36Å; T228-N230 VanDerWaalsContact C-N 3.34Å; T228-N230 PolarHBondContact OG1-O 2.88Å
229	T	92.1	Very high	95.4	Very high	55 Å²	55	60.4 Å²	60.4	34%	0.337	27%	0.268	S	S	.	.	S	Bend	trans	-72.9	-32.9	171.1	50	0	0	0	0	111.6	R173 D597	R173-T229 WeakPolarHBondContact CG-O 3.45Å; T229-D597 WeakPolarHBondContact CB-OD2 3.37Å; T229-D597 PolarHBondContact OG1-OD2 3.07Å
230	N	96.8	Very high	95.2	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.037	25%	0.25	C	C	.	.			trans	-148.2	130.1	175	-168.1	-47.7	0	0	0	108.8	T228 V232 S233 R596 D597	T228-N230 VanDerWaalsContact C-N 3.34Å; T228-N230 PolarHBondContact OG1-O 2.88Å; N230-V232 VanDerWaalsContact C-N 3.25Å; N230-V232 PolarHBondContact O-N 3.02Å; N230-V232 PolarHBondContact OD1-N 3.16Å; N230-S233 PolarHBondContact ND2-OG 3.48Å; N230-S233 PolarHBondContact OD1-OG 3.43Å; N230-R596 PolarHBondContact ND2-O 3.3Å; N230-D597 HydrophobicContact CB-CB 4.05Å
231	Y	96.8	Very high	95.2	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.012	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.6	-176.5	75.5	-89.3	0	0	0	113.7	L174 P175 V176 P177 L221 K224 C657	L174-Y231 HydrophobicContact CB-CD1 4.35Å; L174-Y231 HydrophobicContact CB-CE1 4.09Å; L174-Y231 HydrophobicContact CD2-CD1 4.39Å; L174-Y231 HydrophobicContact CD2-CE1 3.74Å; L174-Y231 HydrophobicContact CG-CE1 3.82Å; P175-Y231 VanDerWaalsContact O-CE1 3.24Å; P175-Y231 WeakPolarHBondContact O-CE1 3.5Å; P175-Y231 PolarHBondContact O-OH 3.36Å; V176-Y231 HydrophobicContact CG2-CD1 3.83Å; V176-Y231 HydrophobicContact CG2-CE1 3.89Å; V176-Y231 HydrophobicContact CG2-CG 4.18Å; P177-Y231 WeakPolarHBondContact CD-OH 3.44Å; L221-Y231 HydrophobicContact CD1-CD2 3.6Å; L221-Y231 HydrophobicContact CD1-CE2 4.21Å; L221-Y231 HydrophobicContact CD1-CG 4.41Å; L221-Y231 HydrophobicContact CD2-CD2 4.37Å; L221-Y231 HydrophobicContact CD2-CE2 4.18Å; L221-Y231 HydrophobicContact CG-CD2 4.1Å; L221-Y231 HydrophobicContact CG-CE2 4.38Å; K224-Y231 WeakPolarHBondContact CE-O 3.38Å; Y231-C657 HydrophobicContact CD2-CB 4.39Å; Y231-C657 HydrophobicContact CE2-CB 4.33Å
232	V	97.3	Very high	95.2	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.042	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-43.1	-176.6	178.2	0	0	0	0	111.7	L174 N230 D234 W235 W236 R653	L174-V232 HydrophobicContact CD2-CB 4.19Å; L174-V232 HydrophobicContact CD2-CG2 3.59Å; N230-V232 VanDerWaalsContact C-N 3.25Å; N230-V232 PolarHBondContact O-N 3.02Å; N230-V232 PolarHBondContact OD1-N 3.16Å; V232-D234 PolarHBondContact O-N 3.35Å; V232-W235 PolarHBondContact O-N 2.62Å; V232-W236 HydrophobicContact CG1-CB 4.04Å; V232-W236 VanDerWaalsContact O-CB 3.3Å; V232-W236 WeakPolarHBondContact O-CB 3.38Å; V232-W236 PolarHBondContact O-N 3.42Å; V232-R653 HydrophobicContact CG1-CB 3.95Å; V232-R653 HydrophobicContact CG1-CG 3.97Å; V232-R653 HydrophobicContact CG2-CB 4.05Å
233	S	94.3	Very high	95.2	Very high	20 Å²	20	53 Å²	53	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-39.8	-157.3	-53.5	0	0	0	0	115.2	N230 W236 E237 D597	N230-S233 PolarHBondContact ND2-OG 3.48Å; N230-S233 PolarHBondContact OD1-OG 3.43Å; S233-W236 PolarHBondContact O-N 3.01Å; S233-E237 WeakPolarHBondContact O-CB 3.48Å; S233-E237 PolarHBondContact O-N 3.43Å; S233-D597 WeakPolarHBondContact CB-O 3.26Å; S233-D597 PolarHBondContact OG-O 3.27Å
234	D	94.1	Very high	95	Very high	75 Å²	75	52.3 Å²	52.3	40%	0.401	24%	0.241	S	C	.	.	H	α-helix	trans	-65.5	-48.5	178.1	57.6	-20.2	0	0	0	111.3	K224 V232 W236 E237 E238	K224-D234 IonicContact NZ-OD1 2.68Å; K224-D234 PolarHBondContact NZ-OD1 3.05Å; K224-D234 IonicContact NZ-OD2 3.76Å; K224-D234 PolarHBondContact NZ-OD2 3.33Å; V232-D234 PolarHBondContact O-N 3.35Å; D234-W236 VanDerWaalsContact C-N 3.35Å; D234-W236 PolarHBondContact O-N 2.69Å; D234-E237 PolarHBondContact O-N 3.15Å; D234-E238 WeakPolarHBondContact O-CB 3.44Å; D234-E238 PolarHBondContact O-N 3.32Å
235	W	96.6	Very high	95.1	Very high	30 Å²	30	53.8 Å²	53.8	11%	0.114	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-35.8	175.9	-74.3	-11.6	0	0	0	112.9	L221 K224 V232 E238 Y239 F656 C657 I660 V661 Y664	L221-W235 HydrophobicContact CD1-CZ3 4.03Å; K224-W235 HydrophobicContact CD-CD2 4.27Å; K224-W235 HydrophobicContact CD-CE3 4.08Å; K224-W235 HydrophobicContact CD-CH2 3.29Å; K224-W235 HydrophobicContact CD-CZ2 3.49Å; K224-W235 VanDerWaalsContact CD-CZ2 3.49Å; K224-W235 HydrophobicContact CD-CZ3 3.61Å; V232-W235 PolarHBondContact O-N 2.62Å; W235-E238 PolarHBondContact O-N 3.33Å; W235-Y239 HydrophobicContact CB-CD2 4.08Å; W235-Y239 HydrophobicContact CB-CE2 4.42Å; W235-Y239 AromaticContact CD1-CE2 3.84Å; W235-Y239 HydrophobicContact CG-CD2 4.33Å; W235-Y239 HydrophobicContact CG-CE2 4.19Å; W235-Y239 WeakPolarHBondContact O-CB 3.41Å; W235-Y239 WeakPolarHBondContact O-CD2 3.26Å; W235-Y239 PolarHBondContact O-N 3.4Å; W235-F656 HydrophobicContact CB-CE1 4.14Å; W235-C657 HydrophobicContact CE3-CB 4.13Å; W235-C657 HydrophobicContact CZ3-CB 4.09Å; W235-I660 HydrophobicContact CB-CD1 3.72Å; W235-I660 HydrophobicContact CD2-CB 4.49Å; W235-I660 HydrophobicContact CD2-CD1 4.11Å; W235-I660 HydrophobicContact CD2-CG2 3.82Å; W235-I660 HydrophobicContact CE3-CB 4.2Å; W235-I660 HydrophobicContact CE3-CD1 4.13Å; W235-I660 HydrophobicContact CE3-CG2 3.93Å; W235-I660 HydrophobicContact CG-CD1 3.98Å; W235-I660 HydrophobicContact CG-CG2 4.41Å; W235-I660 HydrophobicContact CH2-CG2 4.07Å; W235-I660 HydrophobicContact CZ2-CG2 3.97Å; W235-I660 HydrophobicContact CZ3-CB 4.33Å; W235-I660 HydrophobicContact CZ3-CG2 4.05Å; W235-V661 HydrophobicContact CH2-CG2 3.68Å; W235-V661 HydrophobicContact CZ3-CG2 3.95Å; W235-Y664 HydrophobicContact CZ2-CD2 4.5Å; W235-Y664 HydrophobicContact CZ2-CE2 4.07Å
236	W	96.2	Very high	95.1	Very high	27 Å²	27	54.1 Å²	54.1	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-46	176.5	-173.7	-107.6	0	0	0	111.4	V232 S233 D234 I240 Y241 F656	V232-W236 HydrophobicContact CG1-CB 4.04Å; V232-W236 VanDerWaalsContact O-CB 3.3Å; V232-W236 WeakPolarHBondContact O-CB 3.38Å; V232-W236 PolarHBondContact O-N 3.42Å; S233-W236 PolarHBondContact O-N 3.01Å; D234-W236 VanDerWaalsContact C-N 3.35Å; D234-W236 PolarHBondContact O-N 2.69Å; W236-I240 HydrophobicContact CD2-CB 4.41Å; W236-I240 HydrophobicContact CD2-CG1 3.69Å; W236-I240 HydrophobicContact CE3-CB 4.47Å; W236-I240 HydrophobicContact CE3-CD1 4.03Å; W236-I240 HydrophobicContact CE3-CG1 3.33Å; W236-I240 HydrophobicContact CG-CG1 4.49Å; W236-I240 HydrophobicContact CH2-CB 4.49Å; W236-I240 HydrophobicContact CH2-CD1 3.99Å; W236-I240 HydrophobicContact CH2-CG1 3.68Å; W236-I240 HydrophobicContact CH2-CG2 4.2Å; W236-I240 HydrophobicContact CZ2-CB 4.44Å; W236-I240 HydrophobicContact CZ2-CG1 4.02Å; W236-I240 HydrophobicContact CZ2-CG2 4.05Å; W236-I240 HydrophobicContact CZ3-CD1 3.6Å; W236-I240 HydrophobicContact CZ3-CG1 3.34Å; W236-I240 VanDerWaalsContact O-CB 3.29Å; W236-I240 WeakPolarHBondContact O-CB 3.29Å; W236-I240 PolarHBondContact O-N 3.46Å; W236-Y241 AromaticContact CD1-CE2 3.86Å; W236-Y241 AromaticContact NE1-CE2 3.62Å; W236-F656 HydrophobicContact CB-CE1 4.49Å; W236-F656 HydrophobicContact CE3-CD1 4.08Å; W236-F656 AromaticContact CE3-CE1 3.87Å; W236-F656 HydrophobicContact CE3-CE1 3.87Å; W236-F656 HydrophobicContact CE3-CG 4.49Å; W236-F656 HydrophobicContact CE3-CZ 4.09Å
237	E	95.7	Very high	95.3	Very high	40 Å²	40	46.9 Å²	46.9	19%	0.187	23%	0.226	C	C	.	.	I	π-helix	trans	-59.5	-49.2	174.9	-174.4	168.1	113.4	0	0	111	S233 D234 Y241 L242 R309	S233-E237 WeakPolarHBondContact O-CB 3.48Å; S233-E237 PolarHBondContact O-N 3.43Å; D234-E237 PolarHBondContact O-N 3.15Å; E237-Y241 PolarHBondContact O-N 3.24Å; E237-L242 HydrophobicContact CG-CD1 4.02Å; E237-L242 HydrophobicContact CG-CG 4.45Å; E237-L242 WeakPolarHBondContact O-CG 3.44Å; E237-L242 PolarHBondContact O-N 3.35Å; E237-R309 VanDerWaalsContact CD-NH1 3.27Å; E237-R309 IonicContact OE1-CZ 3.28Å; E237-R309 IonicContact OE1-NH1 2.88Å; E237-R309 PolarHBondContact OE1-NH1 3.34Å; E237-R309 IonicContact OE2-CZ 2.8Å; E237-R309 IonicContact OE2-NH1 3.76Å; E237-R309 PolarHBondContact OE2-NH1 3.14Å
238	E	95.1	Very high	95.5	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	19%	0.188	C	C	.	.	I	π-helix	trans	-66.9	-57.5	-176	-173.6	-179.9	174.8	0	0	113.3	D234 W235 L242 R243 T321	D234-E238 WeakPolarHBondContact O-CB 3.44Å; D234-E238 PolarHBondContact O-N 3.32Å; W235-E238 PolarHBondContact O-N 3.33Å; E238-L242 CarbonylContact O-C 3.43Å; E238-L242 WeakPolarHBondContact O-CA 3.34Å; E238-L242 WeakPolarHBondContact O-CB 3.29Å; E238-L242 PolarHBondContact O-N 3.05Å; E238-L242 VanDerWaalsContact O-N 3.11Å; E238-R243 HydrophobicContact CG-CG 4.23Å; E238-R243 WeakPolarHBondContact O-CG 3.41Å; E238-R243 PolarHBondContact O-N 3.1Å; E238-R243 IonicContact OE1-CZ 3.24Å; E238-R243 IonicContact OE1-NE 2.94Å; E238-R243 PolarHBondContact OE1-NE 3.38Å; E238-R243 IonicContact OE1-NH2 2.7Å; E238-R243 PolarHBondContact OE1-NH2 3.48Å; E238-T321 HydrophobicContact CG-CG2 4.32Å
239	Y	94.8	Very high	95.7	Very high	60 Å²	60	35.3 Å²	35.3	24%	0.235	18%	0.179	C	C	.	.	I	π-helix	trans	-82.7	-28.7	-167	-71.5	-81.3	0	0	0	113.8	W235 R243 I660 Y664	W235-Y239 HydrophobicContact CB-CD2 4.08Å; W235-Y239 HydrophobicContact CB-CE2 4.42Å; W235-Y239 AromaticContact CD1-CE2 3.84Å; W235-Y239 HydrophobicContact CG-CD2 4.33Å; W235-Y239 HydrophobicContact CG-CE2 4.19Å; W235-Y239 WeakPolarHBondContact O-CB 3.41Å; W235-Y239 WeakPolarHBondContact O-CD2 3.26Å; W235-Y239 PolarHBondContact O-N 3.4Å; Y239-R243 VanDerWaalsContact CD1-CD 3.5Å; Y239-I660 HydrophobicContact CD2-CD1 3.45Å; Y239-I660 VanDerWaalsContact CD2-CD1 3.45Å; Y239-I660 HydrophobicContact CD2-CG1 4.24Å; Y239-I660 HydrophobicContact CE2-CD1 3.87Å; Y239-I660 HydrophobicContact CE2-CG1 4.37Å; Y239-I660 HydrophobicContact CE2-CG2 4.14Å; Y239-I660 HydrophobicContact CG-CD1 3.97Å; Y239-Y664 PolarHBondContact OH-OH 2.77Å
240	I	93.6	Very high	95.9	Very high	66 Å²	66	32.8 Å²	32.8	34%	0.338	16%	0.164	S	C	.	.	I	π-helix	trans	-86	-41.5	-179.8	-57.8	-59	0	0	0	111.5	W236 F656	W236-I240 HydrophobicContact CD2-CB 4.41Å; W236-I240 HydrophobicContact CD2-CG1 3.69Å; W236-I240 HydrophobicContact CE3-CB 4.47Å; W236-I240 HydrophobicContact CE3-CD1 4.03Å; W236-I240 HydrophobicContact CE3-CG1 3.33Å; W236-I240 HydrophobicContact CG-CG1 4.49Å; W236-I240 HydrophobicContact CH2-CB 4.49Å; W236-I240 HydrophobicContact CH2-CD1 3.99Å; W236-I240 HydrophobicContact CH2-CG1 3.68Å; W236-I240 HydrophobicContact CH2-CG2 4.2Å; W236-I240 HydrophobicContact CZ2-CB 4.44Å; W236-I240 HydrophobicContact CZ2-CG1 4.02Å; W236-I240 HydrophobicContact CZ2-CG2 4.05Å; W236-I240 HydrophobicContact CZ3-CD1 3.6Å; W236-I240 HydrophobicContact CZ3-CG1 3.34Å; W236-I240 VanDerWaalsContact O-CB 3.29Å; W236-I240 WeakPolarHBondContact O-CB 3.29Å; W236-I240 PolarHBondContact O-N 3.46Å; I240-F656 HydrophobicContact CD1-CD2 4.25Å; I240-F656 HydrophobicContact CD1-CE2 3.66Å; I240-F656 HydrophobicContact CD1-CZ 4.16Å; I240-F656 HydrophobicContact CG1-CE2 4.14Å; I240-F656 HydrophobicContact CG1-CZ 4.12Å
241	Y	96.4	Very high	95.9	Very high	20 Å²	20	36.1 Å²	36.1	8%	0.078	18%	0.182	C	C	.	.	I	π-helix	trans	-102.7	-58	-175.4	-53.3	-82.8	0	0	0	111.5	W236 E237 R243 S244 R315 H471	W236-Y241 AromaticContact CD1-CE2 3.86Å; W236-Y241 AromaticContact NE1-CE2 3.62Å; E237-Y241 PolarHBondContact O-N 3.24Å; Y241-R243 PolarHBondContact O-N 3.03Å; Y241-S244 PolarHBondContact O-N 3Å; Y241-R315 PolarHBondContact O-NH1 2.96Å; Y241-R315 PolarHBondContact O-NH2 2.88Å; Y241-H471 HydrophobicContact CD1-CB 4.31Å; Y241-H471 HydrophobicContact CE1-CB 3.95Å; Y241-H471 AromaticContact CE1-CD2 3.97Å; Y241-H471 AromaticContact CE1-CG 3.77Å
242	L	97.6	Very high	95.9	Very high	12 Å²	12	37 Å²	37	6%	0.063	19%	0.188	C	C	.	.	I	π-helix	trans	-76.4	-23.5	-165.3	-59.8	178.7	0	0	0	114.4	E237 E238 R245 R315 T321 D322 V324	E237-L242 HydrophobicContact CG-CD1 4.02Å; E237-L242 HydrophobicContact CG-CG 4.45Å; E237-L242 WeakPolarHBondContact O-CG 3.44Å; E237-L242 PolarHBondContact O-N 3.35Å; E238-L242 CarbonylContact O-C 3.43Å; E238-L242 WeakPolarHBondContact O-CA 3.34Å; E238-L242 WeakPolarHBondContact O-CB 3.29Å; E238-L242 PolarHBondContact O-N 3.05Å; E238-L242 VanDerWaalsContact O-N 3.11Å; L242-R245 PolarHBondContact O-NH2 3.4Å; L242-R315 HydrophobicContact CD2-CG 4.3Å; L242-T321 HydrophobicContact CB-CG2 4.11Å; L242-D322 HydrophobicContact CB-CB 4.38Å; L242-D322 WeakPolarHBondContact CB-O 3.37Å; L242-D322 HydrophobicContact CD2-CB 4.04Å; L242-D322 PolarHBondContact O-N 3.03Å; L242-V324 HydrophobicContact CD1-CG2 4.45Å; L242-V324 HydrophobicContact CD2-CG2 3.96Å
243	R	96.1	Very high	95.9	Very high	101 Å²	101	36.7 Å²	36.7	38%	0.381	19%	0.186	S	C	.	.	S	Bend	trans	-93.2	-13.9	175.4	-72.1	-176.3	177.7	-140.4	5.8	114.1	E238 Y239 Y241 R245 T321	E238-R243 HydrophobicContact CG-CG 4.23Å; E238-R243 WeakPolarHBondContact O-CG 3.41Å; E238-R243 PolarHBondContact O-N 3.1Å; E238-R243 IonicContact OE1-CZ 3.24Å; E238-R243 IonicContact OE1-NE 2.94Å; E238-R243 PolarHBondContact OE1-NE 3.38Å; E238-R243 IonicContact OE1-NH2 2.7Å; E238-R243 PolarHBondContact OE1-NH2 3.48Å; Y239-R243 VanDerWaalsContact CD1-CD 3.5Å; Y241-R243 PolarHBondContact O-N 3.03Å; R243-R245 PolarHBondContact O-N 2.88Å; R243-R245 PolarHBondContact O-NE 2.95Å; R243-T321 HydrophobicContact CG-CG2 3.74Å; R243-T321 WeakPolarHBondContact CG-OG1 3.44Å
244	S	93.8	Very high	96.1	Very high	62 Å²	62	36.2 Å²	36.2	43%	0.434	18%	0.181	S	C	.	.			trans	-62.9	128.9	171.8	-177.8	0	0	0	0	110.4	Y241	Y241-S244 PolarHBondContact O-N 3Å
245	R	96.1	Very high	96.3	Very high	59 Å²	59	32.7 Å²	32.7	22%	0.223	16%	0.163	C	C	.	.			trans	-100.8	-10.3	-173	-59.3	-61.4	77.2	-150.4	-9.3	114.5	L242 R243 G318 E320 D322 R387 V388	L242-R245 PolarHBondContact O-NH2 3.4Å; R243-R245 PolarHBondContact O-N 2.88Å; R243-R245 PolarHBondContact O-NE 2.95Å; R245-G318 PolarHBondContact NH1-O 3.3Å; R245-E320 PolarHBondContact NE-O 3.18Å; R245-D322 IonicContact CZ-OD1 3.68Å; R245-D322 IonicContact NH1-OD1 3.27Å; R245-D322 PolarHBondContact NH1-OD1 2.91Å; R245-D322 IonicContact NH2-OD1 2.89Å; R245-D322 PolarHBondContact NH2-OD1 2.87Å; R245-D322 IonicContact NH2-OD2 2.7Å; R245-R387 WeakPolarHBondContact O-CG 3.3Å; R245-R387 PolarHBondContact O-N 3.46Å; R245-R387 VanDerWaalsContact O-N 3.08Å; R245-V388 HydrophobicContact CB-CG2 4.44Å; R245-V388 HydrophobicContact CG-CG2 4.4Å
246	G	95.7	Very high	96.4	Very high	27 Å²	27	31.7 Å²	31.7	28%	0.278	16%	0.159	S	C	.	.	S	Bend	trans	-77.1	176.1	176.6	0	0	0	0	0	113.3	R387	G246-R387 WeakPolarHBondContact O-CG 3.5Å
247	P	97.1	Very high	96.4	Very high	15 Å²	15	30.4 Å²	30.4	10%	0.097	16%	0.155	C	C	.	.			trans	-64.3	134.4	-178.3	-22.6	36.3	0	0	0	111.9	N251 A384 D386 L534 L538	P247-N251 WeakPolarHBondContact O-CB 2.94Å; P247-N251 PolarHBondContact O-ND2 2.92Å; P247-A384 WeakPolarHBondContact CB-O 3.02Å; P247-D386 WeakPolarHBondContact CD-OD1 3.45Å; P247-D386 WeakPolarHBondContact CG-OD1 3.44Å; P247-L534 HydrophobicContact CB-CD2 4.48Å; P247-L534 HydrophobicContact CG-CD2 3.47Å; P247-L534 VanDerWaalsContact CG-CD2 3.47Å; P247-L538 HydrophobicContact CB-CD2 3.74Å; P247-L538 HydrophobicContact CG-CD2 4.1Å
248	I	97.3	Very high	96.5	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-89.5	-20.4	-179.5	58.6	169.9	0	0	0	113.6	V250 S252 N253 F451 D452 E470	I248-V250 VanDerWaalsContact C-N 3.31Å; I248-V250 PolarHBondContact O-N 3.03Å; I248-S252 PolarHBondContact O-N 3.39Å; I248-S252 VanDerWaalsContact O-N 3.09Å; I248-N253 PolarHBondContact O-N 3.32Å; I248-N253 PolarHBondContact O-OD1 2.97Å; I248-F451 HydrophobicContact CD1-CB 4.45Å; I248-F451 HydrophobicContact CG1-CB 4.45Å; I248-D452 WeakPolarHBondContact CD1-OD1 3.48Å; I248-E470 HydrophobicContact CD1-CG 4.27Å
249	M	96.4	Very high	96.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-50.1	-45.6	-174	172.2	178.9	78	0	0	113.8	A384 H443 C446 F451 A535 A539	M249-A384 HydrophobicContact SD-CB 3.93Å; M249-H443 HydrophobicContact CE-CB 3.7Å; M249-H443 HydrophobicContact CG-CB 3.71Å; M249-H443 HydrophobicContact SD-CB 3.41Å; M249-H443 WeakPolarHBondContact SD-CB 3.49Å; M249-C446 HydrophobicContact SD-CB 4.3Å; M249-F451 HydrophobicContact CB-CD1 4.05Å; M249-F451 HydrophobicContact CB-CD2 4.29Å; M249-F451 HydrophobicContact CB-CE1 4.12Å; M249-F451 HydrophobicContact CB-CE2 4.35Å; M249-F451 HydrophobicContact CB-CG 4.14Å; M249-F451 HydrophobicContact CB-CZ 4.26Å; M249-F451 HydrophobicContact CG-CD1 3.92Å; M249-F451 HydrophobicContact CG-CD2 4.37Å; M249-F451 HydrophobicContact CG-CE1 3.48Å; M249-F451 VanDerWaalsContact CG-CE1 3.48Å; M249-F451 HydrophobicContact CG-CE2 3.96Å; M249-F451 HydrophobicContact CG-CG 4.35Å; M249-F451 HydrophobicContact CG-CZ 3.48Å; M249-F451 VanDerWaalsContact CG-CZ 3.48Å; M249-F451 HydrophobicContact SD-CD2 4.47Å; M249-F451 HydrophobicContact SD-CE1 4.12Å; M249-F451 HydrophobicContact SD-CE2 3.67Å; M249-F451 HydrophobicContact SD-CZ 3.45Å; M249-F451 WeakPolarHBondContact SD-CZ 3.24Å; M249-A535 HydrophobicContact CE-CB 4.05Å; M249-A535 WeakPolarHBondContact CE-O 3.43Å; M249-A539 HydrophobicContact CE-CB 4.11Å
250	V	96.3	Very high	96.4	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-106.5	-40.7	178.4	169	0	0	0	0	111.5	I248 S252 M442 H443 L538 V542	I248-V250 VanDerWaalsContact C-N 3.31Å; I248-V250 PolarHBondContact O-N 3.03Å; V250-S252 VanDerWaalsContact C-N 3.25Å; V250-S252 PolarHBondContact O-N 2.8Å; V250-M442 HydrophobicContact CG2-CG 4.46Å; V250-H443 HydrophobicContact CG2-CB 4.47Å; V250-L538 HydrophobicContact CB-CD1 4.49Å; V250-L538 HydrophobicContact CB-CD2 4.01Å; V250-L538 HydrophobicContact CB-CG 4.12Å; V250-L538 HydrophobicContact CG2-CD2 4.25Å; V250-L538 HydrophobicContact CG2-CG 4.09Å; V250-V542 HydrophobicContact CB-CG2 4.41Å; V250-V542 HydrophobicContact CG1-CG2 3.5Å; V250-V542 HydrophobicContact CG2-CG2 4.11Å
251	N	96.3	Very high	96.4	Very high	78 Å²	78	24.9 Å²	24.9	42%	0.417	13%	0.126	S	C	.	.	H	α-helix	trans	-79.9	-5.1	-169.3	-53.3	-49.7	0	0	0	113.5	P247	P247-N251 WeakPolarHBondContact O-CB 2.94Å; P247-N251 PolarHBondContact O-ND2 2.92Å
252	S	96.9	Very high	96.3	Very high	21 Å²	21	24.9 Å²	24.9	15%	0.147	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.5	-49.9	-177.8	179.3	0	0	0	0	112.9	I248 V250 H471	I248-S252 PolarHBondContact O-N 3.39Å; I248-S252 VanDerWaalsContact O-N 3.09Å; V250-S252 VanDerWaalsContact C-N 3.25Å; V250-S252 PolarHBondContact O-N 2.8Å; S252-H471 VanDerWaalsContact O-CB 3.28Å; S252-H471 WeakPolarHBondContact O-CB 3.49Å; S252-H471 PolarHBondContact O-CD2 3.32Å
253	N	98.4	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.			trans	-62.2	150.6	-179.5	-72.6	26.6	0	0	0	110.7	I248 M442 F451 N468 I469	I248-N253 PolarHBondContact O-N 3.32Å; I248-N253 PolarHBondContact O-OD1 2.97Å; N253-M442 WeakPolarHBondContact O-CE 3.29Å; N253-F451 PolarHBondContact ND2-O 3.36Å; N253-N468 PolarHBondContact ND2-OD1 3.02Å; N253-I469 WeakPolarHBondContact CA-O 3.47Å; N253-I469 VanDerWaalsContact CB-O 3.24Å; N253-I469 WeakPolarHBondContact CB-O 3.46Å
254	F	98.3	Very high	96.2	Very high	10 Å²	10	24 Å²	24	4%	0.044	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	164.9	175.7	66.3	-89.6	0	0	0	109.9	I256 I469 H471 A476 V479 G709 F710	F254-I256 HydrophobicContact CE2-CD1 4.35Å; F254-I256 HydrophobicContact CE2-CG1 4.43Å; F254-I469 HydrophobicContact CD1-CB 4.19Å; F254-I469 HydrophobicContact CD1-CG2 4.42Å; F254-I469 HydrophobicContact CD2-CB 4.19Å; F254-I469 HydrophobicContact CD2-CD1 3.92Å; F254-I469 HydrophobicContact CD2-CG1 4.41Å; F254-I469 HydrophobicContact CE1-CB 3.82Å; F254-I469 HydrophobicContact CE1-CG2 3.61Å; F254-I469 HydrophobicContact CE2-CB 3.81Å; F254-I469 HydrophobicContact CE2-CD1 3.72Å; F254-I469 HydrophobicContact CE2-CG1 3.88Å; F254-I469 HydrophobicContact CE2-CG2 4.13Å; F254-I469 HydrophobicContact CG-CB 4.38Å; F254-I469 HydrophobicContact CZ-CB 3.62Å; F254-I469 HydrophobicContact CZ-CD1 4.4Å; F254-I469 HydrophobicContact CZ-CG1 4.06Å; F254-I469 HydrophobicContact CZ-CG2 3.44Å; F254-I469 VanDerWaalsContact CZ-CG2 3.44Å; F254-I469 PolarHBondContact N-O 2.88Å; F254-I469 VanDerWaalsContact N-O 3.12Å; F254-I469 WeakPolarHBondContact O-CD1 3.27Å; F254-I469 PolarHBondContact O-N 3.19Å; F254-H471 HydrophobicContact CD1-CB 4.09Å; F254-H471 AromaticContact CD1-CD2 3.98Å; F254-H471 AromaticContact CD1-CG 3.83Å; F254-H471 HydrophobicContact CE1-CB 4.21Å; F254-H471 AromaticContact CE1-CG 3.89Å; F254-H471 AromaticContact CE1-ND1 3.75Å; F254-A476 HydrophobicContact CD2-CB 4.3Å; F254-A476 HydrophobicContact CE2-CB 3.79Å; F254-A476 HydrophobicContact CZ-CB 4.13Å; F254-V479 HydrophobicContact CZ-CG2 4.34Å; F254-G709 WeakPolarHBondContact CA-O 3.43Å; F254-G709 WeakPolarHBondContact CB-O 3.12Å; F254-F710 HydrophobicContact CB-CB 4.05Å
255	Y	98.2	Very high	96.3	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	159.8	-178.7	69.4	-91.7	0	0	0	113	M257 A438 L441 M442 V467 F544 G708 G709 H733	Y255-M257 HydrophobicContact CD2-CG 4.29Å; Y255-M257 HydrophobicContact CE2-CE 3.91Å; Y255-M257 HydrophobicContact CE2-CG 4.13Å; Y255-A438 HydrophobicContact CE1-CB 4.18Å; Y255-A438 HydrophobicContact CE2-CB 4.06Å; Y255-A438 VanDerWaalsContact OH-CB 3.25Å; Y255-A438 WeakPolarHBondContact OH-CB 3.44Å; Y255-L441 HydrophobicContact CD2-CB 4.02Å; Y255-L441 HydrophobicContact CD2-CD1 3.91Å; Y255-L441 HydrophobicContact CG-CB 3.94Å; Y255-M442 HydrophobicContact CD1-CB 3.93Å; Y255-M442 HydrophobicContact CD1-CG 4.48Å; Y255-M442 HydrophobicContact CD1-SD 4Å; Y255-M442 HydrophobicContact CE1-CB 4.36Å; Y255-V467 CarbonylContact C-O 3.59Å; Y255-V467 WeakPolarHBondContact CA-O 3.36Å; Y255-V467 WeakPolarHBondContact CB-O 3.26Å; Y255-F544 AromaticContact CE1-CE1 3.94Å; Y255-F544 HydrophobicContact CE1-CE1 3.94Å; Y255-F544 HydrophobicContact CE1-CZ 4.39Å; Y255-G708 CarbonylContact O-C 3.39Å; Y255-G708 WeakPolarHBondContact O-CA 3.22Å; Y255-G709 VanDerWaalsContact CD1-O 3.22Å; Y255-G709 WeakPolarHBondContact CD1-O 3.41Å; Y255-G709 VanDerWaalsContact CE1-C 3.47Å; Y255-G709 WeakPolarHBondContact CE1-O 3.43Å; Y255-G709 PolarHBondContact N-O 2.94Å; Y255-G709 PolarHBondContact O-N 3.42Å; Y255-G709 VanDerWaalsContact O-N 3.14Å; Y255-H733 PolarHBondContact OH-ND1 2.8Å; Y255-H733 VanDerWaalsContact OH-ND1 3.14Å
256	I	97.6	Very high	96.3	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.046	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132	172.6	-55.3	176.6	0	0	0	108.7	F254 G466 V467 I469 V479 W483	F254-I256 HydrophobicContact CE2-CD1 4.35Å; F254-I256 HydrophobicContact CE2-CG1 4.43Å; I256-G466 WeakPolarHBondContact O-CA 3.44Å; I256-V467 PolarHBondContact N-O 3.39Å; I256-V467 PolarHBondContact O-N 3.2Å; I256-I469 HydrophobicContact CD1-CD1 4.22Å; I256-I469 HydrophobicContact CG1-CD1 4Å; I256-V479 HydrophobicContact CD1-CB 3.99Å; I256-V479 HydrophobicContact CD1-CG1 3.83Å; I256-W483 VanDerWaalsContact CG2-CD1 3.43Å; I256-W483 HydrophobicContact CG2-CG 4.13Å
257	M	97	Very high	96.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	161.2	178.8	-71.6	-178.3	173.8	0	0	112.7	Y255 L434 Y437 A438 L441 W483 A706 G707 H733	Y255-M257 HydrophobicContact CD2-CG 4.29Å; Y255-M257 HydrophobicContact CE2-CE 3.91Å; Y255-M257 HydrophobicContact CE2-CG 4.13Å; M257-L434 HydrophobicContact CE-CD2 4.48Å; M257-L434 WeakPolarHBondContact CE-O 3.31Å; M257-L434 HydrophobicContact SD-CD2 4.14Å; M257-Y437 HydrophobicContact CB-CE1 3.8Å; M257-Y437 HydrophobicContact CE-CD1 3.62Å; M257-Y437 HydrophobicContact CE-CE1 4.23Å; M257-Y437 HydrophobicContact CE-CG 3.93Å; M257-Y437 HydrophobicContact CG-CD1 3.95Å; M257-Y437 HydrophobicContact CG-CE1 3.55Å; M257-Y437 HydrophobicContact SD-CD1 3.6Å; M257-Y437 VanDerWaalsContact SD-CD1 3.6Å; M257-Y437 HydrophobicContact SD-CE1 3.68Å; M257-Y437 HydrophobicContact SD-CG 4.44Å; M257-A438 HydrophobicContact CE-CB 3.75Å; M257-L441 HydrophobicContact CB-CD1 4.34Å; M257-L441 HydrophobicContact CG-CD1 3.61Å; M257-W483 PolarHBondContact O-NE1 2.78Å; M257-A706 HydrophobicContact CB-CB 3.83Å; M257-A706 HydrophobicContact CG-CB 4.49Å; M257-A706 HydrophobicContact SD-CB 3.84Å; M257-G707 PolarHBondContact N-O 3.46Å; M257-H733 VanDerWaalsContact SD-CE1 3.53Å
258	D	96.4	Very high	96.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.136	C	C	.	.			trans	-70.9	-173.5	173.2	-159.7	-4.9	0	0	0	112.1	L260 Y437 M465 L487 A706	D258-L260 PolarHBondContact O-N 3.25Å; D258-Y437 WeakPolarHBondContact CB-OH 3.3Å; D258-Y437 PolarHBondContact N-OH 3.16Å; D258-M465 WeakPolarHBondContact CB-O 3.46Å; D258-M465 PolarHBondContact OD2-N 3Å; D258-L487 WeakPolarHBondContact OD1-CD2 3.44Å; D258-A706 PolarHBondContact O-N 2.83Å
259	L	95.1	Very high	96.5	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-54.8	135.1	167.5	-63.3	176.4	0	0	0	110.8	V262 K464 L487 Y703 V704	L259-V262 HydrophobicContact CB-CB 4.38Å; L259-V262 HydrophobicContact CD1-CB 4.1Å; L259-V262 HydrophobicContact CD1-CG1 4.35Å; L259-K464 PolarHBondContact O-NZ 3.39Å; L259-L487 HydrophobicContact CD2-CD1 3.99Å; L259-L487 HydrophobicContact CG-CD1 4.15Å; L259-L487 HydrophobicContact CG-CD2 4.4Å; L259-Y703 HydrophobicContact CD1-CD1 4Å; L259-V704 CarbonylContact C-O 3.39Å; L259-V704 WeakPolarHBondContact CA-O 3.27Å
260	L	93.1	Very high	96.6	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	14%	0.136	C	C	.	.	S	Bend	trans	-68.1	-55.9	-175.7	-170.7	64.9	0	0	0	110.7	D258 Y426 L434 K464 L548 V704 A706 L729	D258-L260 PolarHBondContact O-N 3.25Å; L260-Y426 HydrophobicContact CD1-CD1 3.93Å; L260-Y426 HydrophobicContact CD1-CD2 4.09Å; L260-Y426 HydrophobicContact CD1-CG 3.58Å; L260-Y426 HydrophobicContact CG-CD1 4.01Å; L260-Y426 HydrophobicContact CG-CG 4.18Å; L260-L434 HydrophobicContact CD1-CD2 4.26Å; L260-K464 PolarHBondContact O-NZ 3.28Å; L260-L548 HydrophobicContact CD1-CD1 4.21Å; L260-L548 HydrophobicContact CD1-CD2 4.06Å; L260-L548 HydrophobicContact CD2-CD1 3.96Å; L260-L548 HydrophobicContact CD2-CD2 3.76Å; L260-V704 HydrophobicContact CB-CG2 4.31Å; L260-V704 PolarHBondContact N-O 2.93Å; L260-A706 HydrophobicContact CB-CB 4.31Å; L260-A706 HydrophobicContact CD1-CB 3.66Å; L260-L729 HydrophobicContact CD2-CD2 4.26Å
261	Y	94.1	Very high	96.7	Very high	94 Å²	94	27.5 Å²	27.5	37%	0.369	14%	0.135	S	C	.	.	S	Bend	trans	-103.3	-8.4	-169.6	-52.1	-63.9	0	0	0	115.3	Y426 V704	Y261-Y426 HydrophobicContact CD1-CD1 4.03Å; Y261-Y426 AromaticContact CD1-CE1 3.92Å; Y261-Y426 HydrophobicContact CD1-CE1 3.92Å; Y261-Y426 HydrophobicContact CE1-CD1 4.05Å; Y261-Y426 AromaticContact CE1-CE1 3.61Å; Y261-Y426 HydrophobicContact CE1-CE1 3.61Å; Y261-V704 HydrophobicContact CD2-CG2 3.87Å; Y261-V704 HydrophobicContact CE2-CG2 3.81Å
262	V	94.4	Very high	96.8	Very high	20 Å²	20	23.8 Å²	23.8	12%	0.121	12%	0.115	C	C	.	.			trans	-116.7	135.9	-174.9	178.8	0	0	0	0	109.4	L259 P264 K464 K702 Y703	L259-V262 HydrophobicContact CB-CB 4.38Å; L259-V262 HydrophobicContact CD1-CB 4.1Å; L259-V262 HydrophobicContact CD1-CG1 4.35Å; V262-P264 HydrophobicContact CG1-CG 4.04Å; V262-K464 PolarHBondContact O-NZ 2.83Å; V262-K702 HydrophobicContact CG2-CB 3.77Å; V262-K702 WeakPolarHBondContact CG2-O 3.21Å; V262-Y703 HydrophobicContact CB-CE1 4.43Å; V262-Y703 HydrophobicContact CG1-CD1 4.32Å; V262-Y703 HydrophobicContact CG1-CE1 3.81Å; V262-Y703 HydrophobicContact CG2-CD1 4.3Å; V262-Y703 HydrophobicContact CG2-CD2 4.1Å; V262-Y703 HydrophobicContact CG2-CE1 4.26Å; V262-Y703 HydrophobicContact CG2-CE2 4.07Å; V262-Y703 HydrophobicContact CG2-CG 4.23Å
263	T	95.1	Very high	96.9	Very high	56 Å²	56	22.8 Å²	22.8	34%	0.344	11%	0.108	S	C	.	.			trans	-129.4	99.8	168.9	-53	0	0	0	0	106.7	T265 N462 K464	T263-T265 VanDerWaalsContact C-N 3.25Å; T263-T265 WeakPolarHBondContact CG2-O 3.45Å; T263-T265 PolarHBondContact O-N 2.94Å; T263-N462 WeakPolarHBondContact CG2-O 3.46Å; T263-K464 HydrophobicContact CG2-CD 4.37Å; T263-K464 WeakPolarHBondContact OG1-CD 3.37Å; T263-K464 WeakPolarHBondContact OG1-CE 3.45Å; T263-K464 PolarHBondContact OG1-NZ 3.35Å; T263-K464 VanDerWaalsContact OG1-NZ 3.12Å
264	P	95.6	Very high	96.9	Very high	38 Å²	38	22.8 Å²	22.8	25%	0.247	11%	0.109	C	C	.	.	S	Bend	trans	-64.8	-23.2	-168.2	-30	39.7	0	0	0	115.8	V262 R271 C491 Y496	V262-P264 HydrophobicContact CG1-CG 4.04Å; P264-R271 VanDerWaalsContact CB-NH1 3.29Å; P264-R271 VanDerWaalsContact CD-CZ 3.46Å; P264-C491 WeakPolarHBondContact CG-SG 3.46Å; P264-Y496 HydrophobicContact CB-CD2 3.92Å; P264-Y496 HydrophobicContact CB-CE2 3.47Å; P264-Y496 VanDerWaalsContact CB-CE2 3.47Å
265	T	97.4	Very high	97	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.043	11%	0.107	C	C	.	.			trans	-149	149.2	171.6	-179.9	0	0	0	0	109.5	T263 R267 A270 R271 Y496 G500	T263-T265 VanDerWaalsContact C-N 3.25Å; T263-T265 WeakPolarHBondContact CG2-O 3.45Å; T263-T265 PolarHBondContact O-N 2.94Å; T265-R267 VanDerWaalsContact C-N 3.3Å; T265-R267 PolarHBondContact OG1-N 3.36Å; T265-R267 VanDerWaalsContact OG1-N 3.15Å; T265-A270 HydrophobicContact CG2-CB 4.26Å; T265-R271 HydrophobicContact CG2-CB 3.84Å; T265-Y496 HydrophobicContact CG2-CD1 3.83Å; T265-Y496 HydrophobicContact CG2-CD2 4.46Å; T265-Y496 HydrophobicContact CG2-CE1 3.4Å; T265-Y496 VanDerWaalsContact CG2-CE1 3.4Å; T265-Y496 HydrophobicContact CG2-CE2 4.11Å; T265-Y496 HydrophobicContact CG2-CG 4.33Å; T265-G500 WeakPolarHBondContact OG1-CA 3.38Å; T265-G500 PolarHBondContact OG1-O 2.73Å
266	H	95.5	Very high	97	Very high	125 Å²	125	22.3 Å²	22.3	58%	0.579	11%	0.106	S	C	*	.	S	Bend	trans	-84.3	-5.3	172.8	63.4	-83.7	0	0	0	112.5
267	R	97.9	Very high	97	Very high	87 Å²	87	22.8 Å²	22.8	33%	0.328	11%	0.108	S	C	.	.			trans	-91	112.4	-178.1	-65.8	-175.1	178.4	-90.9	6.3	111.2	T265 A269 A270 R271 E499 H501	T265-R267 VanDerWaalsContact C-N 3.3Å; T265-R267 PolarHBondContact OG1-N 3.36Å; T265-R267 VanDerWaalsContact OG1-N 3.15Å; R267-A269 PolarHBondContact O-N 3.34Å; R267-A270 HydrophobicContact CB-CB 3.78Å; R267-A270 PolarHBondContact O-N 2.84Å; R267-R271 WeakPolarHBondContact O-CB 3.24Å; R267-R271 PolarHBondContact O-N 3.4Å; R267-E499 PolarHBondContact NE-O 2.82Å; R267-H501 PolarHBondContact NE-CE1 3.05Å; R267-H501 PolarHBondContact NE-NE2 3.23Å; R267-H501 PolarHBondContact NH1-CE1 3Å; R267-H501 PolarHBondContact NH2-NE2 3.26Å
268	Q	98.3	Very high	97.1	Very high	21 Å²	21	22.7 Å²	22.7	10%	0.098	11%	0.108	C	C	.	.	H	α-helix	trans	-54.6	-47.9	179.7	-173.6	-179.8	27.9	0	0	113.8	R271 A272 D420 S459 Y460	Q268-R271 PolarHBondContact O-N 3.2Å; Q268-A272 WeakPolarHBondContact O-CB 3.36Å; Q268-A272 PolarHBondContact O-N 2.77Å; Q268-D420 PolarHBondContact NE2-O 3.44Å; Q268-S459 WeakPolarHBondContact CG-OG 3.45Å; Q268-S459 PolarHBondContact NE2-O 3.47Å; Q268-S459 PolarHBondContact O-OG 3.43Å; Q268-Y460 WeakPolarHBondContact CG-O 3.4Å
269	A	98.6	Very high	97.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-65.8	-42.2	-179.2	0	0	0	0	0	112	R267 A272 G273 E359 F362 Q363 L366	R267-A269 PolarHBondContact O-N 3.34Å; A269-A272 PolarHBondContact O-N 2.91Å; A269-G273 PolarHBondContact O-N 2.84Å; A269-E359 HydrophobicContact CB-CG 4.06Å; A269-F362 HydrophobicContact CB-CB 4.13Å; A269-Q363 HydrophobicContact CB-CB 4.16Å; A269-L366 HydrophobicContact CB-CD1 3.99Å
270	A	98.6	Very high	97.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.5	-46.1	176.5	0	0	0	0	0	111.2	T265 R267 A272 G273 N274 E359 Y496 G500 C502	T265-A270 HydrophobicContact CG2-CB 4.26Å; R267-A270 HydrophobicContact CB-CB 3.78Å; R267-A270 PolarHBondContact O-N 2.84Å; A270-A272 PolarHBondContact O-N 2.91Å; A270-G273 PolarHBondContact O-N 2.88Å; A270-N274 PolarHBondContact O-N 2.79Å; A270-N274 VanDerWaalsContact O-N 3.08Å; A270-E359 HydrophobicContact CB-CG 4.28Å; A270-E359 WeakPolarHBondContact CB-OE1 3.28Å; A270-Y496 HydrophobicContact CB-CD1 4.29Å; A270-Y496 HydrophobicContact CB-CE1 4.08Å; A270-G500 VanDerWaalsContact CB-O 3.28Å; A270-G500 WeakPolarHBondContact CB-O 3.35Å; A270-C502 PolarHBondContact O-SG 2.85Å
271	R	98.4	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.4	-52.4	175.6	-169.7	83.8	-168.5	136.3	-2.3	111.3	P264 T265 R267 Q268 G273 N274 I275 G463 M465 D490 Y496	P264-R271 VanDerWaalsContact CB-NH1 3.29Å; P264-R271 VanDerWaalsContact CD-CZ 3.46Å; T265-R271 HydrophobicContact CG2-CB 3.84Å; R267-R271 WeakPolarHBondContact O-CB 3.24Å; R267-R271 PolarHBondContact O-N 3.4Å; Q268-R271 PolarHBondContact O-N 3.2Å; R271-G273 VanDerWaalsContact C-N 3.3Å; R271-G273 PolarHBondContact O-N 3.24Å; R271-N274 PolarHBondContact O-N 3.42Å; R271-I275 WeakPolarHBondContact O-CB 3.32Å; R271-I275 WeakPolarHBondContact O-CG1 3.35Å; R271-I275 PolarHBondContact O-N 3.03Å; R271-I275 VanDerWaalsContact O-N 3.08Å; R271-G463 WeakPolarHBondContact CD-O 3.22Å; R271-G463 WeakPolarHBondContact CG-O 3.42Å; R271-G463 PolarHBondContact NE-O 3.16Å; R271-M465 HydrophobicContact CG-CG 3.64Å; R271-M465 HydrophobicContact CG-SD 3.62Å; R271-D490 IonicContact CZ-OD1 3.78Å; R271-D490 IonicContact CZ-OD2 2.75Å; R271-D490 IonicContact NH1-OD1 3.05Å; R271-D490 PolarHBondContact NH1-OD1 3.32Å; R271-D490 IonicContact NH1-OD2 3.51Å; R271-D490 PolarHBondContact NH1-OD2 3.42Å; R271-D490 IonicContact NH2-OD2 3.36Å; R271-D490 PolarHBondContact NH2-OD2 3.07Å; R271-Y496 WeakPolarHBondContact CA-OH 3.5Å; R271-Y496 PolarHBondContact NH1-OH 2.98Å
272	A	98.8	Very high	97.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-40.5	178	0	0	0	0	0	111.9	Q268 A269 A270 I275 V276 F362 L417 L419 M465	Q268-A272 WeakPolarHBondContact O-CB 3.36Å; Q268-A272 PolarHBondContact O-N 2.77Å; A269-A272 PolarHBondContact O-N 2.91Å; A270-A272 PolarHBondContact O-N 2.91Å; A272-I275 PolarHBondContact O-N 2.77Å; A272-V276 VanDerWaalsContact O-CB 3.27Å; A272-V276 WeakPolarHBondContact O-CB 3.36Å; A272-V276 WeakPolarHBondContact O-CG2 3.44Å; A272-V276 PolarHBondContact O-N 2.78Å; A272-F362 HydrophobicContact CB-CD2 3.6Å; A272-F362 HydrophobicContact CB-CE2 3.85Å; A272-F362 HydrophobicContact CB-CG 4.41Å; A272-L417 HydrophobicContact CB-CD2 4.45Å; A272-L419 HydrophobicContact CB-CD2 4.26Å; A272-M465 HydrophobicContact CB-CE 4.27Å
273	G	98.6	Very high	97.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.6	-53.5	177.9	0	0	0	0	0	113.3	A269 A270 R271 H277 L358	A269-G273 PolarHBondContact O-N 2.84Å; A270-G273 PolarHBondContact O-N 2.88Å; R271-G273 VanDerWaalsContact C-N 3.3Å; R271-G273 PolarHBondContact O-N 3.24Å; G273-H277 WeakPolarHBondContact O-CB 3.47Å; G273-H277 PolarHBondContact O-N 3.49Å; G273-L358 WeakPolarHBondContact O-CD1 3.5Å
274	N	98.6	Very high	97.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-46.2	177	-92.9	8.2	0	0	0	112.3	A270 R271 H277 A278 P355 D490 L494 G495 Y496 C502	A270-N274 PolarHBondContact O-N 2.79Å; A270-N274 VanDerWaalsContact O-N 3.08Å; R271-N274 PolarHBondContact O-N 3.42Å; N274-H277 PolarHBondContact O-N 3.4Å; N274-A278 WeakPolarHBondContact O-CB 3.32Å; N274-A278 PolarHBondContact O-N 3.37Å; N274-P355 WeakPolarHBondContact OD1-CB 3.47Å; N274-D490 WeakPolarHBondContact CB-OD1 3.26Å; N274-D490 PolarHBondContact ND2-OD1 3.36Å; N274-L494 HydrophobicContact CB-CD1 4.03Å; N274-L494 WeakPolarHBondContact O-CD1 3.28Å; N274-G495 PolarHBondContact ND2-O 2.85Å; N274-Y496 HydrophobicContact CB-CE1 4.25Å; N274-Y496 WeakPolarHBondContact CB-OH 3.21Å; N274-Y496 VanDerWaalsContact ND2-CE1 3.32Å; N274-Y496 WeakPolarHBondContact ND2-CE1 3.33Å; N274-Y496 PolarHBondContact ND2-OH 3.34Å; N274-C502 PolarHBondContact OD1-SG 2.77Å; N274-C502 VanDerWaalsContact OD1-SG 3.38Å
275	I	98.6	Very high	97.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.5	-43	-174.9	-70.3	-77	0	0	0	111.1	R271 A272 H277 A278 M279 L457 M465 V486 L487 D490	R271-I275 WeakPolarHBondContact O-CB 3.32Å; R271-I275 WeakPolarHBondContact O-CG1 3.35Å; R271-I275 PolarHBondContact O-N 3.03Å; R271-I275 VanDerWaalsContact O-N 3.08Å; A272-I275 PolarHBondContact O-N 2.77Å; I275-H277 VanDerWaalsContact C-N 3.34Å; I275-H277 PolarHBondContact O-N 3.5Å; I275-A278 PolarHBondContact O-N 2.97Å; I275-M279 HydrophobicContact CG2-CE 4.18Å; I275-M279 WeakPolarHBondContact O-CG 3.45Å; I275-M279 PolarHBondContact O-N 2.84Å; I275-L457 HydrophobicContact CG2-CD1 4.07Å; I275-L457 HydrophobicContact CG2-CD2 3.81Å; I275-M465 HydrophobicContact CB-SD 3.67Å; I275-M465 HydrophobicContact CD1-SD 4.42Å; I275-M465 HydrophobicContact CG1-SD 3.49Å; I275-M465 WeakPolarHBondContact CG1-SD 3.24Å; I275-M465 HydrophobicContact CG2-CE 4.38Å; I275-M465 HydrophobicContact CG2-SD 3.73Å; I275-V486 HydrophobicContact CB-CG1 4.41Å; I275-V486 HydrophobicContact CD1-CG1 3.53Å; I275-V486 HydrophobicContact CG2-CG1 3.77Å; I275-L487 HydrophobicContact CD1-CD2 4.38Å; I275-D490 HydrophobicContact CD1-CB 3.69Å; I275-D490 HydrophobicContact CG1-CB 4.45Å
276	V	98.8	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.9	-42.6	173	168.5	0	0	0	0	110.6	A272 A278 M279 L280 L333 L346 L358 F362 F415 L417 L457	A272-V276 VanDerWaalsContact O-CB 3.27Å; A272-V276 WeakPolarHBondContact O-CB 3.36Å; A272-V276 WeakPolarHBondContact O-CG2 3.44Å; A272-V276 PolarHBondContact O-N 2.78Å; V276-A278 PolarHBondContact O-N 3.22Å; V276-M279 PolarHBondContact O-N 2.98Å; V276-L280 HydrophobicContact CG1-CD1 4.43Å; V276-L280 WeakPolarHBondContact O-CG 3.35Å; V276-L280 PolarHBondContact O-N 2.9Å; V276-L333 HydrophobicContact CG1-CD2 3.82Å; V276-L333 HydrophobicContact CG2-CD2 4.17Å; V276-L346 HydrophobicContact CG1-CD2 3.87Å; V276-L358 HydrophobicContact CB-CD1 4.22Å; V276-L358 HydrophobicContact CG1-CD1 3.87Å; V276-L358 HydrophobicContact CG1-CD2 4.1Å; V276-F362 HydrophobicContact CB-CE2 4.35Å; V276-F362 HydrophobicContact CB-CZ 4.34Å; V276-F362 HydrophobicContact CG1-CZ 4.39Å; V276-F362 HydrophobicContact CG2-CE2 4.05Å; V276-F362 HydrophobicContact CG2-CZ 3.91Å; V276-F415 HydrophobicContact CB-CZ 4.44Å; V276-F415 HydrophobicContact CG1-CZ 4.08Å; V276-F415 HydrophobicContact CG2-CE2 4.13Å; V276-F415 HydrophobicContact CG2-CZ 4Å; V276-L417 HydrophobicContact CG2-CD2 4.43Å; V276-L457 HydrophobicContact CG2-CD2 3.96Å
277	H	98.6	Very high	97.4	Very high	19 Å²	19	19.5 Å²	19.5	9%	0.088	8%	0.083	C	C	.	.	H	α-helix	trans	-61.9	-43.4	175.9	-171.3	86.9	0	0	0	112.3	G273 N274 I275 L280 Q281 L353 P355 L358 L494	G273-H277 WeakPolarHBondContact O-CB 3.47Å; G273-H277 PolarHBondContact O-N 3.49Å; N274-H277 PolarHBondContact O-N 3.4Å; I275-H277 VanDerWaalsContact C-N 3.34Å; I275-H277 PolarHBondContact O-N 3.5Å; H277-L280 WeakPolarHBondContact O-CB 3.46Å; H277-L280 PolarHBondContact O-N 3.48Å; H277-Q281 PolarHBondContact CD2-NE2 3.26Å; H277-Q281 PolarHBondContact NE2-NE2 3.29Å; H277-Q281 VanDerWaalsContact NE2-NE2 3.11Å; H277-Q281 WeakPolarHBondContact O-CG 3.36Å; H277-Q281 PolarHBondContact O-N 2.83Å; H277-L353 PolarHBondContact CE1-O 3.13Å; H277-L353 PolarHBondContact ND1-O 2.9Å; H277-P355 HydrophobicContact CB-CB 4.45Å; H277-P355 HydrophobicContact CB-CG 3.88Å; H277-L358 HydrophobicContact CB-CD1 3.94Å; H277-L494 HydrophobicContact CB-CD1 4.44Å
278	A	98.6	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.7	-41.6	176.3	0	0	0	0	0	111.9	N274 I275 V276 L280 Q281 Y282 V486 T489 L494	N274-A278 WeakPolarHBondContact O-CB 3.32Å; N274-A278 PolarHBondContact O-N 3.37Å; I275-A278 PolarHBondContact O-N 2.97Å; V276-A278 PolarHBondContact O-N 3.22Å; A278-L280 VanDerWaalsContact C-N 3.32Å; A278-L280 PolarHBondContact O-N 3.04Å; A278-Q281 WeakPolarHBondContact O-CB 3.23Å; A278-Q281 PolarHBondContact O-N 3.38Å; A278-Y282 PolarHBondContact O-N 3.04Å; A278-V486 HydrophobicContact CB-CB 4.48Å; A278-V486 HydrophobicContact CB-CG1 4.2Å; A278-V486 HydrophobicContact CB-CG2 4.41Å; A278-T489 HydrophobicContact CB-CG2 4Å; A278-L494 HydrophobicContact CB-CD1 4.25Å
279	M	98.6	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.8	-40.5	172.2	-75.1	-177	176.3	0	0	111.9	I275 V276 Y282 R283 F311 F415 F455 L457 M482 W483 V486	I275-M279 HydrophobicContact CG2-CE 4.18Å; I275-M279 WeakPolarHBondContact O-CG 3.45Å; I275-M279 PolarHBondContact O-N 2.84Å; V276-M279 PolarHBondContact O-N 2.98Å; M279-Y282 PolarHBondContact O-N 2.87Å; M279-R283 VanDerWaalsContact O-CB 3.28Å; M279-R283 WeakPolarHBondContact O-CB 3.43Å; M279-R283 PolarHBondContact O-N 3.24Å; M279-F311 HydrophobicContact CB-CE1 4.3Å; M279-F311 HydrophobicContact CB-CZ 4.48Å; M279-F415 HydrophobicContact SD-CD2 4.49Å; M279-F415 HydrophobicContact SD-CE1 4.26Å; M279-F415 HydrophobicContact SD-CE2 4Å; M279-F415 HydrophobicContact SD-CZ 3.86Å; M279-F455 HydrophobicContact CE-CE2 4Å; M279-F455 HydrophobicContact SD-CE2 3.9Å; M279-F455 HydrophobicContact SD-CZ 4.21Å; M279-L457 HydrophobicContact CE-CB 4.49Å; M279-L457 HydrophobicContact CE-CD1 3.93Å; M279-L457 HydrophobicContact CE-CD2 4Å; M279-L457 HydrophobicContact CE-CG 4.37Å; M279-L457 HydrophobicContact SD-CD2 4.07Å; M279-M482 HydrophobicContact CE-CE 4.1Å; M279-W483 HydrophobicContact CE-CE3 4.25Å; M279-W483 HydrophobicContact CE-CZ3 3.76Å; M279-V486 HydrophobicContact CB-CG2 4.42Å; M279-V486 HydrophobicContact CG-CG1 4.31Å; M279-V486 HydrophobicContact CG-CG2 3.62Å
280	L	97.3	Very high	96.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-64.6	-39.3	175.3	-69.5	174.4	0	0	0	112.1	V276 H277 A278 R283 R284 L346 H352	V276-L280 HydrophobicContact CG1-CD1 4.43Å; V276-L280 WeakPolarHBondContact O-CG 3.35Å; V276-L280 PolarHBondContact O-N 2.9Å; H277-L280 WeakPolarHBondContact O-CB 3.46Å; H277-L280 PolarHBondContact O-N 3.48Å; A278-L280 VanDerWaalsContact C-N 3.32Å; A278-L280 PolarHBondContact O-N 3.04Å; L280-R283 PolarHBondContact O-N 3.44Å; L280-R284 WeakPolarHBondContact O-CB 3.25Å; L280-R284 PolarHBondContact O-N 2.72Å; L280-L346 HydrophobicContact CD1-CB 4.01Å; L280-L346 HydrophobicContact CD1-CD2 4.3Å; L280-L346 HydrophobicContact CD2-CB 4.16Å; L280-L346 HydrophobicContact CD2-CD1 3.96Å; L280-H352 WeakPolarHBondContact CB-ND1 3.47Å; L280-H352 HydrophobicContact CD1-CB 4.08Å; L280-H352 PolarHBondContact O-CE1 2.62Å
281	Q	97.3	Very high	96.5	Very high	54 Å²	54	21.3 Å²	21.3	25%	0.252	9%	0.094	S	C	.	.	H	α-helix	trans	-62.6	-44.9	174	-67.8	-174.3	-0.3	0	0	111.7	H277 A278 R284 K285 Y485	H277-Q281 PolarHBondContact CD2-NE2 3.26Å; H277-Q281 PolarHBondContact NE2-NE2 3.29Å; H277-Q281 VanDerWaalsContact NE2-NE2 3.11Å; H277-Q281 WeakPolarHBondContact O-CG 3.36Å; H277-Q281 PolarHBondContact O-N 2.83Å; A278-Q281 WeakPolarHBondContact O-CB 3.23Å; A278-Q281 PolarHBondContact O-N 3.38Å; Q281-R284 PolarHBondContact O-N 3.01Å; Q281-K285 PolarHBondContact O-N 2.9Å; Q281-Y485 HydrophobicContact CB-CE1 4.34Å
282	Y	97.6	Very high	96.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-50.7	174.9	-177.6	-89.6	0	0	0	111.3	A278 M279 R284 K285 L286 L291 M307 M310 F311 H481 M482 Y485	A278-Y282 PolarHBondContact O-N 3.04Å; M279-Y282 PolarHBondContact O-N 2.87Å; Y282-R284 VanDerWaalsContact C-N 3.28Å; Y282-R284 PolarHBondContact O-N 2.98Å; Y282-K285 WeakPolarHBondContact O-CB 3.1Å; Y282-K285 PolarHBondContact O-N 2.82Å; Y282-L286 HydrophobicContact CE1-CB 4.41Å; Y282-L286 HydrophobicContact CE1-CD2 4.23Å; Y282-L286 PolarHBondContact O-N 3.33Å; Y282-L291 HydrophobicContact CD2-CD2 4.34Å; Y282-L291 HydrophobicContact CE1-CD1 4.17Å; Y282-L291 HydrophobicContact CE2-CD1 3.8Å; Y282-L291 HydrophobicContact CE2-CD2 4.09Å; Y282-M307 WeakPolarHBondContact OH-CE 3.27Å; Y282-M310 HydrophobicContact CD1-SD 4.24Å; Y282-M310 HydrophobicContact CE1-CE 4.29Å; Y282-M310 HydrophobicContact CE1-SD 3.5Å; Y282-M310 WeakPolarHBondContact CE1-SD 3.23Å; Y282-F311 AromaticContact CD1-CE2 3.88Å; Y282-F311 HydrophobicContact CD1-CE2 3.88Å; Y282-F311 HydrophobicContact CD1-CZ 4.17Å; Y282-F311 HydrophobicContact CE1-CE2 4.28Å; Y282-H481 AromaticContact CE2-CE1 3.73Å; Y282-H481 AromaticContact CE2-ND1 3.46Å; Y282-H481 WeakPolarHBondContact CE2-ND1 3.4Å; Y282-H481 AromaticContact CZ-ND1 3.56Å; Y282-H481 PolarHBondContact OH-CE1 3.32Å; Y282-H481 PolarHBondContact OH-ND1 3.47Å; Y282-M482 HydrophobicContact CD1-CB 4.21Å; Y282-M482 HydrophobicContact CD1-CG 3.73Å; Y282-M482 HydrophobicContact CD2-CG 4.48Å; Y282-M482 HydrophobicContact CE1-CB 3.82Å; Y282-M482 HydrophobicContact CE1-CG 3.86Å; Y282-M482 HydrophobicContact CE2-CB 4.25Å; Y282-M482 HydrophobicContact CG-CG 4.05Å; Y282-Y485 AromaticContact CD2-CD1 3.71Å; Y282-Y485 HydrophobicContact CD2-CD1 3.71Å; Y282-Y485 HydrophobicContact CD2-CD2 4.07Å; Y282-Y485 HydrophobicContact CD2-CE1 4.37Å; Y282-Y485 AromaticContact CD2-CG 3.56Å; Y282-Y485 HydrophobicContact CD2-CG 3.56Å; Y282-Y485 HydrophobicContact CE2-CG 4.36Å; Y282-Y485 HydrophobicContact CG-CD1 4.14Å; Y282-Y485 HydrophobicContact CG-CG 4.43Å
283	R	95.8	Very high	96	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-55.4	-42.2	177.5	-178.9	-179.8	166.2	-173.2	-5	111.9	M279 L280 K285 L286 E287 F311 N312 R330 S414	M279-R283 VanDerWaalsContact O-CB 3.28Å; M279-R283 WeakPolarHBondContact O-CB 3.43Å; M279-R283 PolarHBondContact O-N 3.24Å; L280-R283 PolarHBondContact O-N 3.44Å; R283-K285 VanDerWaalsContact C-N 3.35Å; R283-K285 PolarHBondContact O-N 3.13Å; R283-L286 PolarHBondContact O-N 2.8Å; R283-E287 HydrophobicContact CG-CG 4.26Å; R283-E287 IonicContact CZ-OE1 3.09Å; R283-E287 VanDerWaalsContact CZ-OE1 3.28Å; R283-E287 IonicContact NE-OE1 3.63Å; R283-E287 PolarHBondContact NE-OE1 3.43Å; R283-E287 IonicContact NH2-OE1 2.85Å; R283-E287 PolarHBondContact NH2-OE1 3.14Å; R283-E287 WeakPolarHBondContact O-CB 3.44Å; R283-E287 WeakPolarHBondContact O-CG 3.48Å; R283-E287 PolarHBondContact O-N 2.91Å; R283-F311 HydrophobicContact CB-CD1 4.45Å; R283-F311 HydrophobicContact CB-CD2 3.91Å; R283-F311 HydrophobicContact CB-CE1 4.25Å; R283-F311 HydrophobicContact CB-CE2 3.7Å; R283-F311 HydrophobicContact CB-CG 4.28Å; R283-F311 HydrophobicContact CB-CZ 3.88Å; R283-F311 HydrophobicContact CG-CB 4.38Å; R283-F311 HydrophobicContact CG-CD1 4.41Å; R283-F311 HydrophobicContact CG-CD2 3.76Å; R283-F311 HydrophobicContact CG-CE2 4.1Å; R283-F311 HydrophobicContact CG-CG 3.93Å; R283-N312 VanDerWaalsContact CZ-OD1 3.32Å; R283-N312 PolarHBondContact NH1-OD1 2.92Å; R283-N312 PolarHBondContact NH2-ND2 2.98Å; R283-N312 PolarHBondContact NH2-OD1 2.89Å; R283-R330 VanDerWaalsContact CZ-O 3.32Å; R283-R330 PolarHBondContact NH1-O 3.43Å; R283-R330 PolarHBondContact NH2-O 3.16Å; R283-S414 VanDerWaalsContact NH1-CB 3.29Å; R283-S414 PolarHBondContact NH1-OG 3.13Å
284	R	93.5	Very high	95.7	Very high	91 Å²	91	26.2 Å²	26.2	34%	0.343	13%	0.13	S	C	.	.	H	α-helix	trans	-60.8	-43	176.5	-178.4	-171.9	-66.4	176.7	-0.5	111.8	L280 Q281 Y282 R288 H352	L280-R284 WeakPolarHBondContact O-CB 3.25Å; L280-R284 PolarHBondContact O-N 2.72Å; Q281-R284 PolarHBondContact O-N 3.01Å; Y282-R284 VanDerWaalsContact C-N 3.28Å; Y282-R284 PolarHBondContact O-N 2.98Å; R284-R288 WeakPolarHBondContact O-CB 3.33Å; R284-R288 WeakPolarHBondContact O-CD 3.43Å; R284-R288 VanDerWaalsContact O-CG 3.24Å; R284-R288 WeakPolarHBondContact O-CG 3.43Å; R284-R288 PolarHBondContact O-N 3.27Å; R284-H352 VanDerWaalsContact CZ-CE1 3.44Å; R284-H352 PolarHBondContact NE-CE1 3.49Å; R284-H352 PolarHBondContact NE-NE2 2.87Å; R284-H352 PolarHBondContact NH2-CD2 3.27Å; R284-H352 PolarHBondContact NH2-CE1 2.9Å; R284-H352 VanDerWaalsContact NH2-CG 3.27Å; R284-H352 PolarHBondContact NH2-ND1 2.79Å; R284-H352 VanDerWaalsContact NH2-ND1 3.17Å; R284-H352 PolarHBondContact NH2-NE2 3.23Å
285	K	95.2	Very high	95.4	Very high	77 Å²	77	30.1 Å²	30.1	34%	0.335	15%	0.145	S	C	.	.	H	α-helix	trans	-65.1	-43.3	176.5	-69.8	171.9	175.6	-75.3	0	111	Q281 Y282 R283 R288 G289 E290 L291 Y485	Q281-K285 PolarHBondContact O-N 2.9Å; Y282-K285 WeakPolarHBondContact O-CB 3.1Å; Y282-K285 PolarHBondContact O-N 2.82Å; R283-K285 VanDerWaalsContact C-N 3.35Å; R283-K285 PolarHBondContact O-N 3.13Å; K285-R288 CarbonylContact O-C 3.47Å; K285-R288 PolarHBondContact O-N 2.96Å; K285-G289 PolarHBondContact O-N 3.48Å; K285-E290 HydrophobicContact CB-CB 4.37Å; K285-E290 PolarHBondContact O-N 2.88Å; K285-L291 HydrophobicContact CB-CD2 3.73Å; K285-L291 HydrophobicContact CB-CG 3.97Å; K285-L291 HydrophobicContact CD-CD2 4.08Å; K285-Y485 HydrophobicContact CD-CE2 4.12Å; K285-Y485 WeakPolarHBondContact CE-OH 3.36Å
286	L	94.9	Very high	94.8	Very high	9 Å²	9	31 Å²	31	5%	0.047	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-52.2	177.1	175.1	62.8	0	0	0	112.1	L164 Y282 R283 R288 G289 L291 M307 M310 F311	L164-L286 HydrophobicContact CD2-CD1 3.56Å; Y282-L286 HydrophobicContact CE1-CB 4.41Å; Y282-L286 HydrophobicContact CE1-CD2 4.23Å; Y282-L286 PolarHBondContact O-N 3.33Å; R283-L286 PolarHBondContact O-N 2.8Å; L286-R288 PolarHBondContact O-N 2.79Å; L286-R288 VanDerWaalsContact O-N 3.15Å; L286-G289 PolarHBondContact O-N 3.34Å; L286-L291 HydrophobicContact CB-CD1 3.97Å; L286-L291 HydrophobicContact CD1-CD1 4.15Å; L286-M307 HydrophobicContact CD1-CB 3.73Å; L286-M307 VanDerWaalsContact CD2-O 3.26Å; L286-M307 WeakPolarHBondContact CD2-O 3.3Å; L286-M310 HydrophobicContact CD2-CB 4.19Å; L286-M310 HydrophobicContact CD2-SD 4.48Å; L286-F311 HydrophobicContact CD2-CD2 3.99Å; L286-F311 HydrophobicContact CD2-CE2 4.12Å
287	E	91.9	Very high	93.9	Very high	47 Å²	47	36.4 Å²	36.4	22%	0.22	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-22.8	179.4	-74.7	-174.4	-178.6	0	0	113.2	K41 K45 R283	K41-E287 WeakPolarHBondContact CE-OE2 3.38Å; K41-E287 IonicContact NZ-OE2 3.71Å; K41-E287 PolarHBondContact NZ-OE2 2.95Å; K45-E287 VanDerWaalsContact CE-O 3.28Å; K45-E287 WeakPolarHBondContact CE-O 3.36Å; R283-E287 HydrophobicContact CG-CG 4.26Å; R283-E287 IonicContact CZ-OE1 3.09Å; R283-E287 VanDerWaalsContact CZ-OE1 3.28Å; R283-E287 IonicContact NE-OE1 3.63Å; R283-E287 PolarHBondContact NE-OE1 3.43Å; R283-E287 IonicContact NH2-OE1 2.85Å; R283-E287 PolarHBondContact NH2-OE1 3.14Å; R283-E287 WeakPolarHBondContact O-CB 3.44Å; R283-E287 WeakPolarHBondContact O-CG 3.48Å; R283-E287 PolarHBondContact O-N 2.91Å
288	R	92.3	Very high	93.2	Very high	51 Å²	51	38 Å²	38	19%	0.192	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.9	175.4	-67	174.8	177	-171.1	-0.5	112.8	I44 N48 R284 K285 L286 E290	I44-R288 HydrophobicContact CG2-CB 4.26Å; I44-R288 HydrophobicContact CG2-CG 3.96Å; N48-R288 WeakPolarHBondContact CB-O 3.42Å; N48-R288 PolarHBondContact ND2-O 3.43Å; R284-R288 WeakPolarHBondContact O-CB 3.33Å; R284-R288 WeakPolarHBondContact O-CD 3.43Å; R284-R288 VanDerWaalsContact O-CG 3.24Å; R284-R288 WeakPolarHBondContact O-CG 3.43Å; R284-R288 PolarHBondContact O-N 3.27Å; K285-R288 CarbonylContact O-C 3.47Å; K285-R288 PolarHBondContact O-N 2.96Å; L286-R288 PolarHBondContact O-N 2.79Å; L286-R288 VanDerWaalsContact O-N 3.15Å; R288-E290 HydrophobicContact CB-CB 4.45Å; R288-E290 HydrophobicContact CB-CG 3.7Å; R288-E290 WeakPolarHBondContact CD-OE1 3.48Å; R288-E290 IonicContact NH1-OE1 3.35Å; R288-E290 PolarHBondContact O-N 3.32Å
289	G	93.7	Very high	92.7	Very high	4 Å²	4	38.8 Å²	38.8	4%	0.041	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	20.6	-173.4	0	0	0	0	0	114	L163 L164 K285 L286 L291	L163-G289 VanDerWaalsContact CB-O 3.32Å; L163-G289 WeakPolarHBondContact CB-O 3.48Å; L164-G289 PolarHBondContact N-O 2.77Å; K285-G289 PolarHBondContact O-N 3.48Å; L286-G289 PolarHBondContact O-N 3.34Å; G289-L291 VanDerWaalsContact C-N 3.33Å
290	E	94.8	Very high	92.4	Very high	78 Å²	78	39.1 Å²	39.1	36%	0.364	21%	0.209	S	C	.	.			trans	-83	-7.5	-175	-70.8	172	172.7	0	0	113.6	K285 R288	K285-E290 HydrophobicContact CB-CB 4.37Å; K285-E290 PolarHBondContact O-N 2.88Å; R288-E290 HydrophobicContact CB-CB 4.45Å; R288-E290 HydrophobicContact CB-CG 3.7Å; R288-E290 WeakPolarHBondContact CD-OE1 3.48Å; R288-E290 IonicContact NH1-OE1 3.35Å; R288-E290 PolarHBondContact O-N 3.32Å
291	L	94.5	Very high	92.3	Very high	13 Å²	13	39 Å²	39	7%	0.068	21%	0.208	C	C	.	.	S	Bend	trans	-67.9	145	172	-63.4	174.3	0	0	0	110	L164 Y282 K285 L286 G289	L164-L291 WeakPolarHBondContact CA-O 3.43Å; L164-L291 HydrophobicContact CB-CB 4.35Å; L164-L291 VanDerWaalsContact CB-O 3.31Å; L164-L291 WeakPolarHBondContact CB-O 3.45Å; L164-L291 HydrophobicContact CD1-CB 4.1Å; L164-L291 HydrophobicContact CD2-CB 4.2Å; L164-L291 HydrophobicContact CD2-CD1 4.31Å; L164-L291 HydrophobicContact CG-CB 4.45Å; L164-L291 PolarHBondContact N-O 3.39Å; Y282-L291 HydrophobicContact CD2-CD2 4.34Å; Y282-L291 HydrophobicContact CE1-CD1 4.17Å; Y282-L291 HydrophobicContact CE2-CD1 3.8Å; Y282-L291 HydrophobicContact CE2-CD2 4.09Å; K285-L291 HydrophobicContact CB-CD2 3.73Å; K285-L291 HydrophobicContact CB-CG 3.97Å; K285-L291 HydrophobicContact CD-CD2 4.08Å; L286-L291 HydrophobicContact CB-CD1 3.97Å; L286-L291 HydrophobicContact CD1-CD1 4.15Å; G289-L291 VanDerWaalsContact C-N 3.33Å
292	A	92.8	Very high	92.2	Very high	70 Å²	70	37.3 Å²	37.3	58%	0.579	20%	0.2	S	C	*	.	P	Polyproline II helix	trans	-71.3	138.8	174	0	0	0	0	0	109.9
293	P	93.2	Very high	92.2	Very high	11 Å²	11	37.5 Å²	37.5	7%	0.071	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-67.3	138.2	172.7	29.4	-34.8	0	0	0	110.3	P162 F167	P162-P293 HydrophobicContact CB-CG 3.69Å; P162-P293 HydrophobicContact CG-CG 3.59Å; F167-P293 HydrophobicContact CD2-CB 4.31Å; F167-P293 HydrophobicContact CD2-CG 4.03Å; F167-P293 HydrophobicContact CE2-CG 4.02Å
294	L	92.9	Very high	92.2	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.115	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-67.9	143.8	172.8	-68.8	176.3	0	0	0	110.6	M302 Q691	L294-M302 HydrophobicContact CB-CE 3.5Å; L294-M302 HydrophobicContact CD1-CE 4.3Å; L294-M302 PolarHBondContact O-N 3.46Å; L294-Q691 HydrophobicContact CD2-CB 4.35Å
295	R	91.9	Very high	92.2	Very high	83 Å²	83	34.8 Å²	34.8	31%	0.313	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.2	-179.2	-65.7	176.6	174.8	174.2	-8.7	111.9	F167 G298 V300	F167-R295 VanDerWaalsContact CZ-NH2 3.31Å; R295-G298 VanDerWaalsContact CD-O 3.3Å; R295-G298 WeakPolarHBondContact CD-O 3.26Å; R295-G298 PolarHBondContact O-N 3.43Å; R295-V300 CarbonylContact C-O 3.48Å; R295-V300 WeakPolarHBondContact CA-O 3.09Å
296	A	87.6	Confident	92.2	Very high	18 Å²	18	32 Å²	32	15%	0.149	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	133.4	168	0	0	0	0	0	109.8	W135 G298 T299 V300	W135-A296 HydrophobicContact CH2-CB 4.49Å; A296-G298 PolarHBondContact O-N 3.17Å; A296-T299 PolarHBondContact O-N 3.25Å; A296-V300 HydrophobicContact CB-CB 4.3Å; A296-V300 PolarHBondContact N-O 3.06Å; A296-V300 PolarHBondContact O-N 3.36Å
297	L	79	Confident	92.3	Very high	115 Å²	115	31.6 Å²	31.6	60%	0.602	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	29.2	-173.1	-56.1	179.2	0	0	0	113.5	W135 T299	W135-L297 HydrophobicContact CE3-CD1 3.88Å; W135-L297 HydrophobicContact CZ3-CD1 3.5Å; W135-L297 HydrophobicContact CZ3-CG 4.22Å; L297-T299 PolarHBondContact O-N 2.91Å; L297-T299 PolarHBondContact O-OG1 3.3Å
298	G	83.9	Confident	92.3	Very high	52 Å²	52	33.7 Å²	33.7	54%	0.536	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	2.4	-177.6	0	0	0	0	0	115.7	R295 A296	R295-G298 VanDerWaalsContact CD-O 3.3Å; R295-G298 WeakPolarHBondContact CD-O 3.26Å; R295-G298 PolarHBondContact O-N 3.43Å; A296-G298 PolarHBondContact O-N 3.17Å
299	T	87.8	Confident	92.4	Very high	16 Å²	16	35.1 Å²	35.1	10%	0.098	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-48	-173	-52.7	0	0	0	0	113.1	L151 V154 K155 A296 L297 P301	L151-T299 HydrophobicContact CD2-CG2 3.9Å; V154-T299 HydrophobicContact CG1-CG2 3.96Å; K155-T299 WeakPolarHBondContact CE-OG1 3.45Å; K155-T299 HydrophobicContact CG-CG2 3.88Å; A296-T299 PolarHBondContact O-N 3.25Å; L297-T299 PolarHBondContact O-N 2.91Å; L297-T299 PolarHBondContact O-OG1 3.3Å; T299-P301 WeakPolarHBondContact O-CD 2.88Å
300	V	93.1	Very high	92.5	Very high	7 Å²	7	35 Å²	35	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	113.6	-173.8	178.7	0	0	0	0	109.6	L130 W135 W150 R295 A296 M594	L130-V300 HydrophobicContact CD2-CG1 4.26Å; W135-V300 HydrophobicContact CH2-CG2 4.21Å; W135-V300 HydrophobicContact CZ2-CB 4.27Å; W135-V300 HydrophobicContact CZ2-CG1 4.24Å; W135-V300 HydrophobicContact CZ2-CG2 3.71Å; W150-V300 HydrophobicContact CH2-CG2 3.62Å; W150-V300 HydrophobicContact CZ2-CG2 4.27Å; R295-V300 CarbonylContact C-O 3.48Å; R295-V300 WeakPolarHBondContact CA-O 3.09Å; A296-V300 HydrophobicContact CB-CB 4.3Å; A296-V300 PolarHBondContact N-O 3.06Å; A296-V300 PolarHBondContact O-N 3.36Å; V300-M594 HydrophobicContact CG1-CG 4.31Å; V300-M594 HydrophobicContact CG1-SD 4.22Å
301	P	94.9	Very high	92.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	148.6	-178.1	30.1	-36.2	0	0	0	112.1	L130 F167 L171 T299	L130-P301 HydrophobicContact CD1-CG 3.86Å; L130-P301 HydrophobicContact CD2-CG 4.2Å; F167-P301 HydrophobicContact CB-CB 3.7Å; F167-P301 HydrophobicContact CB-CG 3.94Å; F167-P301 HydrophobicContact CD1-CB 4Å; F167-P301 HydrophobicContact CD1-CG 3.71Å; F167-P301 HydrophobicContact CD2-CB 3.6Å; F167-P301 HydrophobicContact CD2-CG 4.25Å; F167-P301 HydrophobicContact CE1-CG 4.27Å; F167-P301 HydrophobicContact CE2-CB 4.21Å; F167-P301 HydrophobicContact CG-CB 3.48Å; F167-P301 VanDerWaalsContact CG-CB 3.48Å; F167-P301 HydrophobicContact CG-CG 3.7Å; L171-P301 HydrophobicContact CD2-CB 4.44Å; L171-P301 HydrophobicContact CD2-CG 4.06Å; T299-P301 WeakPolarHBondContact O-CD 2.88Å
302	M	95.4	Very high	92.8	Very high	17 Å²	17	31.1 Å²	31.1	8%	0.084	18%	0.177	C	C	.	.			trans	-111.9	153.6	173.1	-66.5	-168.4	-66	0	0	111.1	L294 M591 R593	L294-M302 HydrophobicContact CB-CE 3.5Å; L294-M302 HydrophobicContact CD1-CE 4.3Å; L294-M302 PolarHBondContact O-N 3.46Å; M302-M591 HydrophobicContact SD-CE 4.21Å; M302-M591 HydrophobicContact SD-SD 3.89Å; M302-R593 CarbonylContact C-O 3.51Å; M302-R593 VanDerWaalsContact CA-O 3.23Å; M302-R593 WeakPolarHBondContact CA-O 3.37Å; M302-R593 HydrophobicContact CB-CB 4.02Å; M302-R593 HydrophobicContact CG-CB 4.38Å; M302-R593 HydrophobicContact SD-CB 4.36Å
303	C	96.8	Very high	93	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.027	15%	0.15	C	C	.	.			trans	-63.8	142.1	176.6	-175	0	0	0	0	111.3	Q168 L171 T305 R593 F595 D597	Q168-C303 PolarHBondContact OE1-SG 3.4Å; L171-C303 HydrophobicContact CD1-CB 3.77Å; C303-T305 PolarHBondContact SG-OG1 3.23Å; C303-R593 HydrophobicContact CB-CB 4.48Å; C303-R593 PolarHBondContact N-O 3.18Å; C303-R593 PolarHBondContact O-NE 3.44Å; C303-R593 PolarHBondContact O-NH2 2.98Å; C303-F595 WeakPolarHBondContact CB-O 3.48Å; C303-D597 PolarHBondContact SG-N 2.96Å
304	S	95.9	Very high	93.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.			trans	-120.9	1.5	-175.1	-51	0	0	0	0	112.2	L164 Q168 Q306 M307	L164-S304 WeakPolarHBondContact CD1-OG 3.15Å; L164-S304 PolarHBondContact O-OG 3.24Å; L164-S304 VanDerWaalsContact O-OG 3.12Å; Q168-S304 PolarHBondContact NE2-OG 2.94Å; S304-Q306 VanDerWaalsContact C-N 3.26Å; S304-Q306 PolarHBondContact O-N 3.08Å; S304-M307 VanDerWaalsContact O-CB 3.28Å; S304-M307 WeakPolarHBondContact O-CB 2.89Å; S304-M307 WeakPolarHBondContact O-CG 2.95Å; S304-M307 PolarHBondContact O-N 3.41Å
305	T	94.1	Very high	93.6	Very high	37 Å²	37	26.3 Å²	26.3	23%	0.227	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-54.5	-40.6	-174.5	-52.1	0	0	0	0	112.4	C303 M307 E308 D597	C303-T305 PolarHBondContact SG-OG1 3.23Å; T305-M307 PolarHBondContact O-N 3.03Å; T305-M307 VanDerWaalsContact O-N 3.11Å; T305-E308 WeakPolarHBondContact O-CB 3.32Å; T305-E308 PolarHBondContact O-N 3.22Å; T305-E308 VanDerWaalsContact O-N 3.15Å; T305-D597 WeakPolarHBondContact CB-OD1 3.49Å; T305-D597 WeakPolarHBondContact CG2-OD1 3.46Å; T305-D597 PolarHBondContact OG1-OD1 2.9Å
306	Q	95.6	Very high	93.9	Very high	17 Å²	17	22.5 Å²	22.5	8%	0.079	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-58.4	-27.7	178.1	-62.9	-174.5	46	0	0	113.1	S304 E308 R309 W473 A474 D475 I478 G598	S304-Q306 VanDerWaalsContact C-N 3.26Å; S304-Q306 PolarHBondContact O-N 3.08Å; Q306-E308 VanDerWaalsContact C-N 3.26Å; Q306-E308 PolarHBondContact O-N 3.25Å; Q306-R309 PolarHBondContact O-N 3.27Å; Q306-W473 WeakPolarHBondContact O-CZ3 3.42Å; Q306-A474 HydrophobicContact CB-CB 4.19Å; Q306-D475 PolarHBondContact NE2-OD2 2.81Å; Q306-D475 PolarHBondContact OE1-OD2 3.12Å; Q306-I478 HydrophobicContact CB-CD1 3.97Å; Q306-I478 HydrophobicContact CB-CG1 3.78Å; Q306-I478 HydrophobicContact CB-CG2 4.25Å; Q306-I478 HydrophobicContact CG-CG1 4.44Å; Q306-G598 PolarHBondContact NE2-O 2.97Å
307	M	95.6	Very high	94.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-67.6	-26.5	-178.3	-56.4	-172.7	111.5	0	0	112.5	L164 Y282 L286 S304 T305 R309 M310 I478 H481	L164-M307 HydrophobicContact CD1-SD 3.68Å; L164-M307 HydrophobicContact CD2-SD 4.11Å; L164-M307 HydrophobicContact CG-SD 4.43Å; Y282-M307 WeakPolarHBondContact OH-CE 3.27Å; L286-M307 HydrophobicContact CD1-CB 3.73Å; L286-M307 VanDerWaalsContact CD2-O 3.26Å; L286-M307 WeakPolarHBondContact CD2-O 3.3Å; S304-M307 VanDerWaalsContact O-CB 3.28Å; S304-M307 WeakPolarHBondContact O-CB 2.89Å; S304-M307 WeakPolarHBondContact O-CG 2.95Å; S304-M307 PolarHBondContact O-N 3.41Å; T305-M307 PolarHBondContact O-N 3.03Å; T305-M307 VanDerWaalsContact O-N 3.11Å; M307-R309 VanDerWaalsContact C-N 3.25Å; M307-R309 PolarHBondContact O-N 3.02Å; M307-M310 WeakPolarHBondContact O-CB 3.35Å; M307-M310 PolarHBondContact O-N 3.01Å; M307-I478 HydrophobicContact CG-CD1 4.38Å; M307-I478 HydrophobicContact CG-CG2 4.1Å; M307-H481 HydrophobicContact CE-CB 4.13Å; M307-H481 WeakPolarHBondContact CE-ND1 3.24Å
308	E	92.7	Very high	95.3	Very high	91 Å²	91	17.2 Å²	17.2	43%	0.425	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-60.7	-36.9	-178.5	-67.9	177.1	-175.6	0	0	112.1	Y165 T305 Q306 M310 H326	Y165-E308 HydrophobicContact CE1-CG 3.82Å; Y165-E308 WeakPolarHBondContact CE1-OE1 3.46Å; Y165-E308 WeakPolarHBondContact OH-CG 3.3Å; T305-E308 WeakPolarHBondContact O-CB 3.32Å; T305-E308 PolarHBondContact O-N 3.22Å; T305-E308 VanDerWaalsContact O-N 3.15Å; Q306-E308 VanDerWaalsContact C-N 3.26Å; Q306-E308 PolarHBondContact O-N 3.25Å; E308-M310 VanDerWaalsContact C-N 3.29Å; E308-M310 PolarHBondContact O-N 3.02Å; E308-H326 PolarHBondContact O-CE1 3.27Å
309	R	94.8	Very high	95.9	Very high	82 Å²	82	18 Å²	18	31%	0.309	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-87.8	10.9	-174.3	-59.7	-179.4	-174.6	-176.4	-1.7	113.7	E237 Q306 M307 T313 W473	E237-R309 VanDerWaalsContact CD-NH1 3.27Å; E237-R309 IonicContact OE1-CZ 3.28Å; E237-R309 IonicContact OE1-NH1 2.88Å; E237-R309 PolarHBondContact OE1-NH1 3.34Å; E237-R309 IonicContact OE2-CZ 2.8Å; E237-R309 IonicContact OE2-NH1 3.76Å; E237-R309 PolarHBondContact OE2-NH1 3.14Å; Q306-R309 PolarHBondContact O-N 3.27Å; M307-R309 VanDerWaalsContact C-N 3.25Å; M307-R309 PolarHBondContact O-N 3.02Å; R309-T313 VanDerWaalsContact C-OG1 3.32Å; R309-T313 HydrophobicContact CB-CG2 4.43Å; R309-T313 WeakPolarHBondContact O-CB 3.44Å; R309-T313 PolarHBondContact O-OG1 3.31Å; R309-W473 HydrophobicContact CB-CB 4.27Å; R309-W473 HydrophobicContact CB-CD2 4.43Å; R309-W473 HydrophobicContact CB-CE3 3.84Å
310	M	96.3	Very high	96.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-67.8	-40.7	-174.5	-175.7	175.5	-70.3	0	0	114.2	Y282 L286 M307 E308 S454 F455 W473 I478 M482	Y282-M310 HydrophobicContact CD1-SD 4.24Å; Y282-M310 HydrophobicContact CE1-CE 4.29Å; Y282-M310 HydrophobicContact CE1-SD 3.5Å; Y282-M310 WeakPolarHBondContact CE1-SD 3.23Å; L286-M310 HydrophobicContact CD2-CB 4.19Å; L286-M310 HydrophobicContact CD2-SD 4.48Å; M307-M310 WeakPolarHBondContact O-CB 3.35Å; M307-M310 PolarHBondContact O-N 3.01Å; E308-M310 VanDerWaalsContact C-N 3.29Å; E308-M310 PolarHBondContact O-N 3.02Å; M310-S454 PolarHBondContact O-OG 2.45Å; M310-F455 HydrophobicContact CG-CE1 4.39Å; M310-F455 WeakPolarHBondContact O-CD1 3.43Å; M310-F455 WeakPolarHBondContact O-CE1 3.31Å; M310-W473 VanDerWaalsContact CA-CZ3 3.43Å; M310-W473 HydrophobicContact CB-CH2 3.84Å; M310-W473 HydrophobicContact CB-CZ3 3.85Å; M310-W473 HydrophobicContact CE-CH2 4.42Å; M310-W473 HydrophobicContact CG-CH2 3.88Å; M310-W473 HydrophobicContact CG-CZ3 4.39Å; M310-I478 HydrophobicContact CE-CG2 3.72Å; M310-I478 VanDerWaalsContact CE-O 3.24Å; M310-I478 WeakPolarHBondContact CE-O 3.36Å; M310-M482 HydrophobicContact CE-CB 4.01Å; M310-M482 HydrophobicContact CG-SD 4.19Å; M310-M482 HydrophobicContact SD-CB 3.63Å; M310-M482 HydrophobicContact SD-CG 3.88Å; M310-M482 HydrophobicContact SD-SD 3.53Å
311	F	97.4	Very high	96.6	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.026	13%	0.134	C	C	.	.	S	Bend	trans	-114	158.5	179.5	-62	-89.4	0	0	0	110.3	M279 Y282 R283 L286 T313 H326 S414 F415 F455 M482	M279-F311 HydrophobicContact CB-CE1 4.3Å; M279-F311 HydrophobicContact CB-CZ 4.48Å; Y282-F311 AromaticContact CD1-CE2 3.88Å; Y282-F311 HydrophobicContact CD1-CE2 3.88Å; Y282-F311 HydrophobicContact CD1-CZ 4.17Å; Y282-F311 HydrophobicContact CE1-CE2 4.28Å; R283-F311 HydrophobicContact CB-CD1 4.45Å; R283-F311 HydrophobicContact CB-CD2 3.91Å; R283-F311 HydrophobicContact CB-CE1 4.25Å; R283-F311 HydrophobicContact CB-CE2 3.7Å; R283-F311 HydrophobicContact CB-CG 4.28Å; R283-F311 HydrophobicContact CB-CZ 3.88Å; R283-F311 HydrophobicContact CG-CB 4.38Å; R283-F311 HydrophobicContact CG-CD1 4.41Å; R283-F311 HydrophobicContact CG-CD2 3.76Å; R283-F311 HydrophobicContact CG-CE2 4.1Å; R283-F311 HydrophobicContact CG-CG 3.93Å; L286-F311 HydrophobicContact CD2-CD2 3.99Å; L286-F311 HydrophobicContact CD2-CE2 4.12Å; F311-T313 PolarHBondContact O-N 3.31Å; F311-T313 PolarHBondContact O-OG1 3.48Å; F311-H326 PolarHBondContact O-CE1 2.86Å; F311-H326 PolarHBondContact O-ND1 2.87Å; F311-S414 WeakPolarHBondContact CA-O 3.04Å; F311-F415 AromaticContact CD1-CD1 3.92Å; F311-F415 HydrophobicContact CD1-CD1 3.92Å; F311-F415 HydrophobicContact CD1-CE1 4.49Å; F311-F415 HydrophobicContact CE1-CD1 4.07Å; F311-F415 HydrophobicContact CE1-CE1 4.33Å; F311-F455 AromaticContact CD1-CE1 3.93Å; F311-F455 HydrophobicContact CD1-CE1 3.93Å; F311-F455 AromaticContact CD1-CZ 3.89Å; F311-F455 HydrophobicContact CD1-CZ 3.89Å; F311-F455 AromaticContact CE1-CE1 3.98Å; F311-F455 HydrophobicContact CE1-CE1 3.98Å; F311-F455 AromaticContact CE1-CZ 3.62Å; F311-F455 HydrophobicContact CE1-CZ 3.62Å; F311-F455 HydrophobicContact CZ-CZ 4.4Å; F311-M482 HydrophobicContact CE1-SD 4.27Å; F311-M482 HydrophobicContact CE2-SD 4.21Å; F311-M482 HydrophobicContact CZ-SD 3.58Å; F311-M482 VanDerWaalsContact CZ-SD 3.58Å
312	N	96.6	Very high	96.7	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	58.1	30.4	179.2	-43.7	-33.2	0	0	0	113.2	R283 L327 R330 A413 S414	R283-N312 VanDerWaalsContact CZ-OD1 3.32Å; R283-N312 PolarHBondContact NH1-OD1 2.92Å; R283-N312 PolarHBondContact NH2-ND2 2.98Å; R283-N312 PolarHBondContact NH2-OD1 2.89Å; N312-L327 HydrophobicContact CB-CB 4.34Å; N312-L327 WeakPolarHBondContact CB-O 3.31Å; N312-L327 PolarHBondContact ND2-O 3.22Å; N312-L327 PolarHBondContact O-N 3.47Å; N312-R330 HydrophobicContact CB-CB 4.41Å; N312-R330 HydrophobicContact CB-CG 4.33Å; N312-A413 WeakPolarHBondContact CA-O 3.36Å; N312-S414 PolarHBondContact N-O 3.06Å; N312-S414 VanDerWaalsContact OD1-CA 3.26Å; N312-S414 WeakPolarHBondContact OD1-CA 3.31Å
313	T	98.2	Very high	96.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.4	-176.8	-59.4	0	0	0	0	110.1	R309 F311 V324 L325 H326 S454 W473	R309-T313 VanDerWaalsContact C-OG1 3.32Å; R309-T313 HydrophobicContact CB-CG2 4.43Å; R309-T313 WeakPolarHBondContact O-CB 3.44Å; R309-T313 PolarHBondContact O-OG1 3.31Å; F311-T313 PolarHBondContact O-N 3.31Å; F311-T313 PolarHBondContact O-OG1 3.48Å; T313-V324 HydrophobicContact CG2-CG1 3.38Å; T313-L325 CarbonylContact C-O 3.57Å; T313-L325 VanDerWaalsContact CA-O 3.26Å; T313-L325 WeakPolarHBondContact CA-O 3.27Å; T313-H326 PolarHBondContact OG1-ND1 2.82Å; T313-S454 VanDerWaalsContact O-CB 3.31Å; T313-S454 WeakPolarHBondContact O-CB 3.33Å; T313-S454 PolarHBondContact O-N 3.48Å; T313-S454 PolarHBondContact O-OG 2.84Å; T313-W473 HydrophobicContact CG2-CB 4.49Å; T313-W473 HydrophobicContact CG2-CG 4.48Å
314	T	98.5	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	137.1	177.3	-48.7	0	0	0	0	109.1	I316 L325 E411 D452 K453	T314-I316 HydrophobicContact CG2-CD1 4.25Å; T314-L325 PolarHBondContact N-O 3.32Å; T314-L325 WeakPolarHBondContact O-CB 3.44Å; T314-L325 PolarHBondContact O-N 3.41Å; T314-E411 HydrophobicContact CG2-CB 4.45Å; T314-E411 HydrophobicContact CG2-CG 4.23Å; T314-E411 PolarHBondContact OG1-O 2.97Å; T314-D452 CarbonylContact C-O 3.52Å; T314-D452 WeakPolarHBondContact CA-O 3.45Å; T314-D452 HydrophobicContact CG2-CB 4.04Å; T314-K453 PolarHBondContact OG1-NZ 3.1Å
315	R	98.6	Very high	96.9	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127	168.8	179.6	173.2	171.4	161.5	-0.8	109.5	Y241 L242 D322 F323 D452 E470	Y241-R315 PolarHBondContact O-NH1 2.96Å; Y241-R315 PolarHBondContact O-NH2 2.88Å; L242-R315 HydrophobicContact CD2-CG 4.3Å; R315-D322 HydrophobicContact CG-CB 4.09Å; R315-D322 IonicContact CZ-OD2 2.59Å; R315-D322 VanDerWaalsContact CZ-OD2 3.26Å; R315-D322 IonicContact NE-OD2 3.76Å; R315-D322 PolarHBondContact NE-OD2 3.2Å; R315-D322 IonicContact NH2-OD2 2.74Å; R315-D322 PolarHBondContact NH2-OD2 2.93Å; R315-F323 CarbonylContact C-O 3.53Å; R315-F323 WeakPolarHBondContact CA-O 3.15Å; R315-D452 HydrophobicContact CB-CB 4.47Å; R315-D452 PolarHBondContact N-O 2.87Å; R315-D452 VanDerWaalsContact O-CB 3.27Å; R315-D452 WeakPolarHBondContact O-CB 3.45Å; R315-E470 HydrophobicContact CB-CG 4.22Å; R315-E470 WeakPolarHBondContact CD-OE1 3.35Å; R315-E470 IonicContact NH1-OE1 3.75Å; R315-E470 PolarHBondContact NH1-OE1 3.43Å
316	I	98.4	Very high	97	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.5	179.3	-52.6	-57.7	0	0	0	108.4	T314 D322 F323 L325 E411	T314-I316 HydrophobicContact CG2-CD1 4.25Å; I316-D322 VanDerWaalsContact O-CA 3.29Å; I316-D322 WeakPolarHBondContact O-CA 3.36Å; I316-D322 VanDerWaalsContact O-CB 3.29Å; I316-D322 WeakPolarHBondContact O-CB 3.46Å; I316-F323 HydrophobicContact CB-CD1 4.02Å; I316-F323 HydrophobicContact CB-CD2 4.16Å; I316-F323 HydrophobicContact CB-CE1 3.57Å; I316-F323 HydrophobicContact CB-CE2 3.73Å; I316-F323 HydrophobicContact CB-CG 4.31Å; I316-F323 HydrophobicContact CB-CZ 3.42Å; I316-F323 VanDerWaalsContact CB-CZ 3.42Å; I316-F323 HydrophobicContact CG1-CD2 4.18Å; I316-F323 HydrophobicContact CG1-CE1 4.31Å; I316-F323 HydrophobicContact CG1-CE2 3.56Å; I316-F323 HydrophobicContact CG1-CZ 3.65Å; I316-F323 HydrophobicContact CG2-CD1 4.39Å; I316-F323 HydrophobicContact CG2-CE1 3.55Å; I316-F323 HydrophobicContact CG2-CE2 4.29Å; I316-F323 HydrophobicContact CG2-CZ 3.49Å; I316-F323 VanDerWaalsContact CG2-CZ 3.49Å; I316-F323 PolarHBondContact N-O 3.02Å; I316-F323 PolarHBondContact O-N 3.41Å; I316-L325 HydrophobicContact CD1-CB 4.31Å; I316-L325 HydrophobicContact CD1-CD2 4.28Å; I316-L325 HydrophobicContact CG1-CB 3.81Å; I316-L325 HydrophobicContact CG1-CD2 4.35Å; I316-E411 HydrophobicContact CD1-CB 4.45Å; I316-E411 HydrophobicContact CD1-CG 4.08Å
317	P	98.4	Very high	96.9	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.058	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-68.1	134.4	179.6	33.9	-42.1	0	0	0	110.9	D322 W390 A391 R394	P317-D322 WeakPolarHBondContact CA-OD1 3.09Å; P317-W390 HydrophobicContact CB-CB 4.38Å; P317-W390 HydrophobicContact CB-CG 3.97Å; P317-W390 VanDerWaalsContact CG-CD1 3.46Å; P317-W390 HydrophobicContact CG-CD2 4.01Å; P317-W390 HydrophobicContact CG-CG 3.82Å; P317-W390 HydrophobicContact CG-CZ2 4.45Å; P317-A391 HydrophobicContact CB-CB 3.99Å; P317-A391 HydrophobicContact CG-CB 4.5Å; P317-R394 HydrophobicContact CG-CB 4.49Å
318	G	97.9	Very high	96.4	Very high	14 Å²	14	42.1 Å²	42.1	14%	0.144	21%	0.212	C	C	.	.			trans	-118.6	165.1	169.6	0	0	0	0	0	111.5	R245 T321 D322 A391	R245-G318 PolarHBondContact NH1-O 3.3Å; G318-T321 WeakPolarHBondContact CA-O 3.37Å; G318-D322 PolarHBondContact N-OD1 3.5Å; G318-A391 VanDerWaalsContact C-CB 3.45Å; G318-A391 WeakPolarHBondContact O-CB 3.29Å
319	I	97.6	Very high	95.7	Very high	69 Å²	69	41.6 Å²	41.6	35%	0.354	21%	0.212	S	C	.	.	S	Bend	trans	-67	-52.5	178.7	-58.8	-65.2	0	0	0	109.9	V388 A391 R392	I319-V388 HydrophobicContact CD1-CG1 4.45Å; I319-V388 WeakPolarHBondContact O-CG2 3.47Å; I319-A391 HydrophobicContact CD1-CB 3.82Å; I319-A391 HydrophobicContact CG1-CB 4.46Å; I319-R392 HydrophobicContact CD1-CB 4.48Å; I319-R392 HydrophobicContact CD1-CG 3.39Å
320	E	96.4	Very high	95.3	Very high	160 Å²	160	42.3 Å²	42.3	75%	0.748	22%	0.215	S	C	*	.	S	Bend	trans	-95.6	-44.1	179.6	-62.3	-178.7	175.4	0	0	111.9	R245	R245-E320 PolarHBondContact NE-O 3.18Å
321	T	97.8	Very high	95.1	Very high	44 Å²	44	46.4 Å²	46.4	27%	0.27	23%	0.233	S	C	.	.			trans	-139.7	129	-173.7	-52.5	0	0	0	0	109.4	E238 L242 R243 G318	E238-T321 HydrophobicContact CG-CG2 4.32Å; L242-T321 HydrophobicContact CB-CG2 4.11Å; R243-T321 HydrophobicContact CG-CG2 3.74Å; R243-T321 WeakPolarHBondContact CG-OG1 3.44Å; G318-T321 WeakPolarHBondContact CA-O 3.37Å
322	D	98.6	Very high	95.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.011	23%	0.233	C	C	.	.			trans	-74.9	168.7	170.8	-65.8	7.5	0	0	0	110.1	L242 R245 R315 I316 P317 G318 R387	L242-D322 HydrophobicContact CB-CB 4.38Å; L242-D322 WeakPolarHBondContact CB-O 3.37Å; L242-D322 HydrophobicContact CD2-CB 4.04Å; L242-D322 PolarHBondContact O-N 3.03Å; R245-D322 IonicContact CZ-OD1 3.68Å; R245-D322 IonicContact NH1-OD1 3.27Å; R245-D322 PolarHBondContact NH1-OD1 2.91Å; R245-D322 IonicContact NH2-OD1 2.89Å; R245-D322 PolarHBondContact NH2-OD1 2.87Å; R245-D322 IonicContact NH2-OD2 2.7Å; R315-D322 HydrophobicContact CG-CB 4.09Å; R315-D322 IonicContact CZ-OD2 2.59Å; R315-D322 VanDerWaalsContact CZ-OD2 3.26Å; R315-D322 IonicContact NE-OD2 3.76Å; R315-D322 PolarHBondContact NE-OD2 3.2Å; R315-D322 IonicContact NH2-OD2 2.74Å; R315-D322 PolarHBondContact NH2-OD2 2.93Å; I316-D322 VanDerWaalsContact O-CA 3.29Å; I316-D322 WeakPolarHBondContact O-CA 3.36Å; I316-D322 VanDerWaalsContact O-CB 3.29Å; I316-D322 WeakPolarHBondContact O-CB 3.46Å; P317-D322 WeakPolarHBondContact CA-OD1 3.09Å; G318-D322 PolarHBondContact N-OD1 3.5Å; D322-R387 IonicContact OD2-CZ 3.07Å; D322-R387 IonicContact OD2-NE 2.73Å; D322-R387 PolarHBondContact OD2-NE 3.45Å; D322-R387 IonicContact OD2-NH2 2.79Å; D322-R387 PolarHBondContact OD2-NH2 3.39Å
323	F	97.3	Very high	95.1	Very high	108 Å²	108	46.2 Å²	46.2	47%	0.474	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	152.6	170.8	64.9	-87.9	0	0	0	112.1	R315 I316 L325	R315-F323 CarbonylContact C-O 3.53Å; R315-F323 WeakPolarHBondContact CA-O 3.15Å; I316-F323 HydrophobicContact CB-CD1 4.02Å; I316-F323 HydrophobicContact CB-CD2 4.16Å; I316-F323 HydrophobicContact CB-CE1 3.57Å; I316-F323 HydrophobicContact CB-CE2 3.73Å; I316-F323 HydrophobicContact CB-CG 4.31Å; I316-F323 HydrophobicContact CB-CZ 3.42Å; I316-F323 VanDerWaalsContact CB-CZ 3.42Å; I316-F323 HydrophobicContact CG1-CD2 4.18Å; I316-F323 HydrophobicContact CG1-CE1 4.31Å; I316-F323 HydrophobicContact CG1-CE2 3.56Å; I316-F323 HydrophobicContact CG1-CZ 3.65Å; I316-F323 HydrophobicContact CG2-CD1 4.39Å; I316-F323 HydrophobicContact CG2-CE1 3.55Å; I316-F323 HydrophobicContact CG2-CE2 4.29Å; I316-F323 HydrophobicContact CG2-CZ 3.49Å; I316-F323 VanDerWaalsContact CG2-CZ 3.49Å; I316-F323 PolarHBondContact N-O 3.02Å; I316-F323 PolarHBondContact O-N 3.41Å; F323-L325 HydrophobicContact CD2-CB 4.45Å; F323-L325 HydrophobicContact CE2-CB 4.13Å
324	V	97.5	Very high	95.1	Very high	27 Å²	27	46.2 Å²	46.2	16%	0.164	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.7	176.6	-177.7	0	0	0	0	109.3	L242 T313 S472 W473	L242-V324 HydrophobicContact CD1-CG2 4.45Å; L242-V324 HydrophobicContact CD2-CG2 3.96Å; T313-V324 HydrophobicContact CG2-CG1 3.38Å; V324-S472 WeakPolarHBondContact CG2-OG 3.3Å; V324-W473 HydrophobicContact CG1-CB 4.26Å
325	L	97.2	Very high	95.2	Very high	55 Å²	55	46.2 Å²	46.2	29%	0.288	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115.2	172.9	179.3	64.4	0	0	0	109.6	T313 T314 I316 F323 L327	T313-L325 CarbonylContact C-O 3.57Å; T313-L325 VanDerWaalsContact CA-O 3.26Å; T313-L325 WeakPolarHBondContact CA-O 3.27Å; T314-L325 PolarHBondContact N-O 3.32Å; T314-L325 WeakPolarHBondContact O-CB 3.44Å; T314-L325 PolarHBondContact O-N 3.41Å; I316-L325 HydrophobicContact CD1-CB 4.31Å; I316-L325 HydrophobicContact CD1-CD2 4.28Å; I316-L325 HydrophobicContact CG1-CB 3.81Å; I316-L325 HydrophobicContact CG1-CD2 4.35Å; F323-L325 HydrophobicContact CD2-CB 4.45Å; F323-L325 HydrophobicContact CE2-CB 4.13Å; L325-L327 HydrophobicContact CD1-CD2 3.92Å; L325-L327 HydrophobicContact CD1-CG 4.33Å; L325-L327 HydrophobicContact CD2-CD1 4.18Å; L325-L327 HydrophobicContact CD2-CD2 4.45Å; L325-L327 HydrophobicContact CD2-CG 4.32Å; L325-L327 HydrophobicContact CG-CD1 4.45Å; L325-L327 HydrophobicContact CG-CD2 4.18Å; L325-L327 HydrophobicContact CG-CG 4.06Å
326	H	96.6	Very high	95.2	Very high	72 Å²	72	46.5 Å²	46.5	33%	0.333	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.1	170.4	178.5	65.4	0	0	0	110.5	E308 F311 T313	E308-H326 PolarHBondContact O-CE1 3.27Å; F311-H326 PolarHBondContact O-CE1 2.86Å; F311-H326 PolarHBondContact O-ND1 2.87Å; T313-H326 PolarHBondContact OG1-ND1 2.82Å
327	L	93.6	Very high	95.2	Very high	37 Å²	37	46.7 Å²	46.7	19%	0.194	23%	0.234	C	C	.	.			trans	-117	145.3	-177.5	-63.5	173.3	0	0	0	112.1	N312 L325 R330	N312-L327 HydrophobicContact CB-CB 4.34Å; N312-L327 WeakPolarHBondContact CB-O 3.31Å; N312-L327 PolarHBondContact ND2-O 3.22Å; N312-L327 PolarHBondContact O-N 3.47Å; L325-L327 HydrophobicContact CD1-CD2 3.92Å; L325-L327 HydrophobicContact CD1-CG 4.33Å; L325-L327 HydrophobicContact CD2-CD1 4.18Å; L325-L327 HydrophobicContact CD2-CD2 4.45Å; L325-L327 HydrophobicContact CD2-CG 4.32Å; L325-L327 HydrophobicContact CG-CD1 4.45Å; L325-L327 HydrophobicContact CG-CD2 4.18Å; L325-L327 HydrophobicContact CG-CG 4.06Å; L327-R330 HydrophobicContact CB-CG 4Å
328	T	84.7	Confident	95.1	Very high	100 Å²	100	52.4 Å²	52.4	61%	0.613	25%	0.254	S	S	*	.	S	Bend	trans	-93.7	151.4	175.8	55.3	0	0	0	0	112.1	R330	T328-R330 VanDerWaalsContact C-N 3.33Å; T328-R330 PolarHBondContact O-N 3.3Å
329	D	77.6	Confident	95	Very high	79 Å²	79	51.8 Å²	51.8	42%	0.422	25%	0.248	S	C	.	.	S	Bend	trans	60.8	25.7	166.5	-62.6	-45.4	0	0	0	117.2	K41 K45	K41-D329 IonicContact NZ-OD1 2.61Å; K41-D329 PolarHBondContact NZ-OD1 3.03Å; K45-D329 IonicContact NZ-OD1 3.49Å
330	R	86.9	Confident	95.1	Very high	97 Å²	97	48.7 Å²	48.7	37%	0.366	23%	0.232	S	C	.	.			trans	-76.2	142.8	172.2	-55.7	-64.2	-178.7	174	1.7	112.1	R283 N312 L327 T328 S412	R283-R330 VanDerWaalsContact CZ-O 3.32Å; R283-R330 PolarHBondContact NH1-O 3.43Å; R283-R330 PolarHBondContact NH2-O 3.16Å; N312-R330 HydrophobicContact CB-CB 4.41Å; N312-R330 HydrophobicContact CB-CG 4.33Å; L327-R330 HydrophobicContact CB-CG 4Å; T328-R330 VanDerWaalsContact C-N 3.33Å; T328-R330 PolarHBondContact O-N 3.3Å; R330-S412 VanDerWaalsContact CB-O 3.22Å; R330-S412 WeakPolarHBondContact CB-O 3.38Å; R330-S412 WeakPolarHBondContact CG-O 3.49Å
331	K	90.9	Very high	95.2	Very high	87 Å²	87	41.1 Å²	41.1	38%	0.378	20%	0.196	S	C	.	.			trans	-127.9	11.7	-164.4	-68.1	-178.3	-170.7	169.1	0	114.8	W345 L346 Y347	K331-W345 HydrophobicContact CB-CE3 4.06Å; K331-W345 HydrophobicContact CB-CZ3 4Å; K331-L346 WeakPolarHBondContact O-CB 3.01Å; K331-L346 PolarHBondContact O-N 3.39Å; K331-Y347 HydrophobicContact CB-CD2 3.52Å; K331-Y347 HydrophobicContact CB-CE2 3.88Å; K331-Y347 HydrophobicContact CB-CG 4.35Å; K331-Y347 HydrophobicContact CD-CD2 4.23Å; K331-Y347 HydrophobicContact CD-CG 4.31Å; K331-Y347 HydrophobicContact CG-CD2 3.74Å; K331-Y347 HydrophobicContact CG-CE2 3.88Å; K331-Y347 HydrophobicContact CG-CG 4.3Å; K331-Y347 WeakPolarHBondContact O-CD2 3.18Å
332	H	97.1	Very high	95.2	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.032	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	165.8	177.5	66.6	-70	0	0	0	111	Q343 V344 W345 A409 S412 S414	H332-Q343 HydrophobicContact CB-CG 4.06Å; H332-V344 CarbonylContact C-O 3.59Å; H332-V344 WeakPolarHBondContact CA-O 3.31Å; H332-V344 WeakPolarHBondContact CB-O 3.39Å; H332-W345 HydrophobicContact CB-CD2 4.22Å; H332-W345 HydrophobicContact CB-CE3 3.86Å; H332-W345 HydrophobicContact CB-CZ3 4.18Å; H332-A409 PolarHBondContact NE2-O 3.5Å; H332-S412 PolarHBondContact CE1-OG 2.92Å; H332-S412 VanDerWaalsContact CE1-OG 3.28Å; H332-S414 WeakPolarHBondContact O-CB 3.4Å; H332-S414 PolarHBondContact O-N 3Å; H332-S414 PolarHBondContact O-OG 2.92Å
333	L	97.8	Very high	95.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	165.5	160.1	65.4	83.4	0	0	0	109.2	V276 V335 V344 L346 F362 F415 L417	V276-L333 HydrophobicContact CG1-CD2 3.82Å; V276-L333 HydrophobicContact CG2-CD2 4.17Å; L333-V335 HydrophobicContact CD1-CB 4.45Å; L333-V335 HydrophobicContact CD1-CG2 3.25Å; L333-V344 HydrophobicContact CD1-CB 4.24Å; L333-V344 HydrophobicContact CG-CB 4.45Å; L333-V344 PolarHBondContact N-O 2.88Å; L333-V344 PolarHBondContact O-N 3.49Å; L333-L346 HydrophobicContact CB-CD1 4.08Å; L333-L346 HydrophobicContact CD2-CD1 4.17Å; L333-L346 HydrophobicContact CD2-CD2 3.5Å; L333-L346 HydrophobicContact CD2-CG 4.34Å; L333-L346 HydrophobicContact CG-CD1 4.27Å; L333-L346 HydrophobicContact CG-CD2 3.91Å; L333-L346 HydrophobicContact CG-CG 4.39Å; L333-F362 HydrophobicContact CD1-CE1 4.49Å; L333-F362 HydrophobicContact CD2-CZ 4.48Å; L333-F415 WeakPolarHBondContact CB-O 3.3Å; L333-F415 HydrophobicContact CD2-CE1 4.38Å; L333-F415 HydrophobicContact CD2-CE2 3.81Å; L333-F415 HydrophobicContact CD2-CZ 3.66Å; L333-L417 HydrophobicContact CD1-CB 4.08Å
334	V	98.8	Very high	95.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.6	168.6	174.4	0	0	0	0	109.2	Y341 F342 I410 A413 F416 L417 L516	V334-Y341 HydrophobicContact CG1-CD1 4.19Å; V334-F342 CarbonylContact C-O 3.56Å; V334-F342 WeakPolarHBondContact CA-O 3.16Å; V334-I410 HydrophobicContact CB-CG1 4.38Å; V334-I410 HydrophobicContact CG1-CG1 4.05Å; V334-I410 HydrophobicContact CG2-CG1 4.09Å; V334-A413 HydrophobicContact CB-CB 4.45Å; V334-A413 HydrophobicContact CG2-CB 4.09Å; V334-F416 HydrophobicContact CB-CD2 4.13Å; V334-F416 HydrophobicContact CB-CE2 4.23Å; V334-F416 HydrophobicContact CG1-CD2 4.19Å; V334-F416 HydrophobicContact CG1-CE2 3.78Å; V334-L417 PolarHBondContact O-N 2.82Å; V334-L516 HydrophobicContact CG1-CD1 4.27Å; V334-L516 HydrophobicContact CG2-CD1 4.43Å
335	V	98.9	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.7	176.8	-171.8	0	0	0	0	109.4	L333 Y341 F342 V344 F362 I365 L417 L419	L333-V335 HydrophobicContact CD1-CB 4.45Å; L333-V335 HydrophobicContact CD1-CG2 3.25Å; V335-Y341 CarbonylContact O-C 3.49Å; V335-Y341 WeakPolarHBondContact O-CA 3.41Å; V335-F342 HydrophobicContact CB-CB 4.44Å; V335-F342 PolarHBondContact N-O 2.76Å; V335-F342 PolarHBondContact O-N 2.95Å; V335-V344 HydrophobicContact CG2-CB 4.45Å; V335-V344 HydrophobicContact CG2-CG2 3.7Å; V335-F362 HydrophobicContact CG2-CD1 4.2Å; V335-F362 HydrophobicContact CG2-CE1 3.92Å; V335-I365 HydrophobicContact CB-CD1 3.83Å; V335-I365 HydrophobicContact CG1-CD1 3.97Å; V335-I365 HydrophobicContact CG1-CG2 4.28Å; V335-I365 HydrophobicContact CG2-CD1 3.83Å; V335-L417 CarbonylContact C-O 3.58Å; V335-L417 VanDerWaalsContact CA-O 3.25Å; V335-L417 WeakPolarHBondContact CA-O 3.42Å; V335-L417 HydrophobicContact CG1-CD2 4.33Å; V335-L417 HydrophobicContact CG1-CG 4.28Å; V335-L417 HydrophobicContact CG2-CB 4.36Å; V335-L417 HydrophobicContact CG2-CD2 4.11Å; V335-L419 HydrophobicContact CG1-CD1 3.75Å; V335-L419 HydrophobicContact CG1-CG 3.75Å
336	F	98.8	Very high	95.1	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.035	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.1	166.8	179.7	-88.9	0	0	0	110.6	G339 R340 Y341 F416 L417 T418 L419 Y447 D448	F336-G339 VanDerWaalsContact CE2-CA 3.5Å; F336-G339 VanDerWaalsContact CZ-CA 3.41Å; F336-G339 VanDerWaalsContact CZ-N 3.33Å; F336-R340 VanDerWaalsContact CA-O 3.3Å; F336-R340 WeakPolarHBondContact CA-O 3.3Å; F336-Y341 HydrophobicContact CD2-CD1 4.2Å; F336-Y341 HydrophobicContact CD2-CD2 4.48Å; F336-Y341 AromaticContact CD2-CE1 3.8Å; F336-Y341 HydrophobicContact CD2-CE1 3.8Å; F336-Y341 HydrophobicContact CD2-CE2 4.07Å; F336-Y341 AromaticContact CD2-CZ 3.7Å; F336-Y341 HydrophobicContact CE2-CE1 4.49Å; F336-Y341 HydrophobicContact CE2-CE2 4.17Å; F336-Y341 AromaticContact CE2-CZ 3.95Å; F336-F416 HydrophobicContact CB-CE1 3.58Å; F336-F416 HydrophobicContact CB-CZ 3.62Å; F336-F416 HydrophobicContact CG-CZ 4.48Å; F336-L417 PolarHBondContact N-O 2.68Å; F336-T418 HydrophobicContact CD1-CG2 3.9Å; F336-L419 PolarHBondContact O-N 3.03Å; F336-Y447 HydrophobicContact CZ-CD2 4.28Å; F336-D448 HydrophobicContact CD1-CB 3.93Å; F336-D448 HydrophobicContact CE1-CB 3.35Å; F336-D448 HydrophobicContact CZ-CB 3.86Å
337	H	98.6	Very high	94.8	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	129.3	170.1	-175.7	55	0	0	0	110.6	G339 R340 I365 L419	H337-G339 VanDerWaalsContact C-N 3.29Å; H337-G339 PolarHBondContact O-N 3.01Å; H337-R340 PolarHBondContact N-O 3.22Å; H337-R340 WeakPolarHBondContact O-CB 3.28Å; H337-R340 PolarHBondContact O-N 3.44Å; H337-R340 VanDerWaalsContact O-N 3.11Å; H337-R340 PolarHBondContact O-NE 2.66Å; H337-I365 HydrophobicContact CB-CG2 3.74Å; H337-I365 PolarHBondContact CD2-O 3.42Å; H337-L419 HydrophobicContact CB-CB 4.19Å; H337-L419 PolarHBondContact ND1-O 2.9Å
338	R	96.7	Very high	94.4	Very high	129 Å²	129	33.9 Å²	33.9	49%	0.487	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	42.6	177.3	-75.5	177.1	168.9	174.4	1.1	114.3	E421	R338-E421 HydrophobicContact CG-CG 4.16Å; R338-E421 WeakPolarHBondContact CG-OE1 3.02Å; R338-E421 VanDerWaalsContact CG-OE2 3.31Å; R338-E421 WeakPolarHBondContact CG-OE2 3.27Å; R338-E421 IonicContact CZ-OE1 2.7Å; R338-E421 IonicContact NE-OE1 3.66Å; R338-E421 PolarHBondContact NE-OE1 3.19Å; R338-E421 IonicContact NH2-OE1 3.69Å
339	G	97	Very high	94.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	14.2	178.3	0	0	0	0	0	115.8	F336 H337 P372 E376	F336-G339 VanDerWaalsContact CE2-CA 3.5Å; F336-G339 VanDerWaalsContact CZ-CA 3.41Å; F336-G339 VanDerWaalsContact CZ-N 3.33Å; H337-G339 VanDerWaalsContact C-N 3.29Å; H337-G339 PolarHBondContact O-N 3.01Å; G339-P372 WeakPolarHBondContact O-CB 3.41Å; G339-E376 WeakPolarHBondContact O-CG 3.37Å
340	R	98	Very high	94.2	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.015	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.6	-170.1	-60.8	172.7	-66.3	164.7	3	110.3	F336 H337 F342 D368 S370 P372 R515	F336-R340 VanDerWaalsContact CA-O 3.3Å; F336-R340 WeakPolarHBondContact CA-O 3.3Å; H337-R340 PolarHBondContact N-O 3.22Å; H337-R340 WeakPolarHBondContact O-CB 3.28Å; H337-R340 PolarHBondContact O-N 3.44Å; H337-R340 VanDerWaalsContact O-N 3.11Å; H337-R340 PolarHBondContact O-NE 2.66Å; R340-F342 HydrophobicContact CB-CD2 4.48Å; R340-F342 HydrophobicContact CB-CE2 3.59Å; R340-F342 HydrophobicContact CB-CZ 4.04Å; R340-D368 VanDerWaalsContact CZ-O 3.28Å; R340-D368 PolarHBondContact NH1-O 2.68Å; R340-D368 IonicContact NH1-OD1 3.98Å; R340-D368 PolarHBondContact NH1-OD1 3.22Å; R340-D368 PolarHBondContact NH2-O 2.98Å; R340-S370 WeakPolarHBondContact CD-O 3.31Å; R340-S370 PolarHBondContact NE-O 2.9Å; R340-S370 PolarHBondContact NH1-O 3.04Å; R340-S370 PolarHBondContact NH1-OG 3.3Å; R340-P372 HydrophobicContact CG-CB 4.09Å; R340-R515 VanDerWaalsContact CB-CZ 3.43Å; R340-R515 VanDerWaalsContact CG-NH2 3.31Å
341	Y	98.8	Very high	94.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.9	-177	-56	-103.4	0	0	0	111.3	V334 V335 F336 E376 L379 A380 I410 F416 W450 R515 L516 W518	V334-Y341 HydrophobicContact CG1-CD1 4.19Å; V335-Y341 CarbonylContact O-C 3.49Å; V335-Y341 WeakPolarHBondContact O-CA 3.41Å; F336-Y341 HydrophobicContact CD2-CD1 4.2Å; F336-Y341 HydrophobicContact CD2-CD2 4.48Å; F336-Y341 AromaticContact CD2-CE1 3.8Å; F336-Y341 HydrophobicContact CD2-CE1 3.8Å; F336-Y341 HydrophobicContact CD2-CE2 4.07Å; F336-Y341 AromaticContact CD2-CZ 3.7Å; F336-Y341 HydrophobicContact CE2-CE1 4.49Å; F336-Y341 HydrophobicContact CE2-CE2 4.17Å; F336-Y341 AromaticContact CE2-CZ 3.95Å; Y341-E376 HydrophobicContact CD2-CG 3.91Å; Y341-E376 WeakPolarHBondContact CD2-OE1 3.32Å; Y341-E376 HydrophobicContact CE2-CG 3.87Å; Y341-L379 HydrophobicContact CE2-CB 4.39Å; Y341-L379 HydrophobicContact CE2-CD2 4.37Å; Y341-A380 WeakPolarHBondContact OH-CB 3.42Å; Y341-A380 PolarHBondContact OH-N 3.22Å; Y341-I410 HydrophobicContact CD1-CD1 3.84Å; Y341-I410 HydrophobicContact CE1-CD1 4.1Å; Y341-F416 HydrophobicContact CD1-CE2 4.01Å; Y341-F416 AromaticContact CD1-CZ 3.94Å; Y341-F416 HydrophobicContact CD1-CZ 3.94Å; Y341-F416 HydrophobicContact CE1-CE2 4.08Å; Y341-F416 AromaticContact CE1-CZ 3.75Å; Y341-F416 HydrophobicContact CE1-CZ 3.75Å; Y341-W450 HydrophobicContact CE1-CE3 4.25Å; Y341-W450 HydrophobicContact CE1-CZ3 4.34Å; Y341-R515 PolarHBondContact O-NH1 3.29Å; Y341-L516 PolarHBondContact O-N 3.46Å; Y341-W518 HydrophobicContact CD2-CZ2 4.35Å; Y341-W518 AromaticContact CD2-NE1 3.82Å; Y341-W518 HydrophobicContact CG-CZ2 4.43Å
342	F	98.8	Very high	94.4	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.013	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.7	-178.6	-57.5	-99.2	0	0	0	110.1	V334 V335 R340 I365 D368 P513 T514 R515	V334-F342 CarbonylContact C-O 3.56Å; V334-F342 WeakPolarHBondContact CA-O 3.16Å; V335-F342 HydrophobicContact CB-CB 4.44Å; V335-F342 PolarHBondContact N-O 2.76Å; V335-F342 PolarHBondContact O-N 2.95Å; R340-F342 HydrophobicContact CB-CD2 4.48Å; R340-F342 HydrophobicContact CB-CE2 3.59Å; R340-F342 HydrophobicContact CB-CZ 4.04Å; F342-I365 HydrophobicContact CB-CD1 3.84Å; F342-I365 HydrophobicContact CB-CG1 4.2Å; F342-I365 HydrophobicContact CD1-CG1 4.18Å; F342-I365 HydrophobicContact CD2-CG1 4.33Å; F342-I365 HydrophobicContact CD2-CG2 3.67Å; F342-I365 HydrophobicContact CE2-CG2 3.71Å; F342-I365 HydrophobicContact CG-CD1 4.15Å; F342-I365 HydrophobicContact CG-CG1 4Å; F342-I365 HydrophobicContact CG-CG2 4.21Å; F342-I365 HydrophobicContact CZ-CG2 4.26Å; F342-D368 HydrophobicContact CE1-CB 4.48Å; F342-D368 HydrophobicContact CZ-CB 4.29Å; F342-P513 HydrophobicContact CB-CB 4.28Å; F342-P513 HydrophobicContact CD1-CB 4.42Å; F342-T514 CarbonylContact C-O 3.47Å; F342-T514 WeakPolarHBondContact CA-O 3.38Å; F342-R515 HydrophobicContact CD1-CB 4.44Å; F342-R515 HydrophobicContact CE1-CB 4.48Å; F342-R515 HydrophobicContact CE1-CG 4.48Å
343	Q	98.4	Very high	94.3	Very high	28 Å²	28	23.1 Å²	23.1	13%	0.131	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.5	169.3	176.8	174.2	-6.2	0	0	109.7	H332 W345 T514 L516	H332-Q343 HydrophobicContact CB-CG 4.06Å; Q343-W345 VanDerWaalsContact NE2-CZ2 3.32Å; Q343-T514 PolarHBondContact N-O 3.05Å; Q343-T514 PolarHBondContact O-N 2.85Å; Q343-L516 HydrophobicContact CB-CD2 4.01Å
344	V	98.3	Very high	94.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.7	176.5	-180	0	0	0	0	109.2	H332 L333 V335 Q361 F362 I365 P513	H332-V344 CarbonylContact C-O 3.59Å; H332-V344 WeakPolarHBondContact CA-O 3.31Å; H332-V344 WeakPolarHBondContact CB-O 3.39Å; L333-V344 HydrophobicContact CD1-CB 4.24Å; L333-V344 HydrophobicContact CG-CB 4.45Å; L333-V344 PolarHBondContact N-O 2.88Å; L333-V344 PolarHBondContact O-N 3.49Å; V335-V344 HydrophobicContact CG2-CB 4.45Å; V335-V344 HydrophobicContact CG2-CG2 3.7Å; V344-Q361 HydrophobicContact CG1-CB 4.24Å; V344-F362 HydrophobicContact CG1-CE1 4.48Å; V344-I365 HydrophobicContact CG2-CD1 3.77Å; V344-P513 HydrophobicContact CG2-CB 4Å; V344-P513 HydrophobicContact CG2-CG 4.2Å
345	W	95.9	Very high	94.2	Very high	80 Å²	80	26.6 Å²	26.6	30%	0.303	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	139.9	172.3	-69.4	106.6	0	0	0	110.9	K331 H332 Q343 L353	K331-W345 HydrophobicContact CB-CE3 4.06Å; K331-W345 HydrophobicContact CB-CZ3 4Å; H332-W345 HydrophobicContact CB-CD2 4.22Å; H332-W345 HydrophobicContact CB-CE3 3.86Å; H332-W345 HydrophobicContact CB-CZ3 4.18Å; Q343-W345 VanDerWaalsContact NE2-CZ2 3.32Å; W345-L353 WeakPolarHBondContact O-CD1 3.43Å
346	L	95.2	Very high	94.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.			trans	-104	0.7	-173.4	-60.7	168.2	0	0	0	113.2	V276 L280 K331 L333 H352 L353 L358	V276-L346 HydrophobicContact CG1-CD2 3.87Å; L280-L346 HydrophobicContact CD1-CB 4.01Å; L280-L346 HydrophobicContact CD1-CD2 4.3Å; L280-L346 HydrophobicContact CD2-CB 4.16Å; L280-L346 HydrophobicContact CD2-CD1 3.96Å; K331-L346 WeakPolarHBondContact O-CB 3.01Å; K331-L346 PolarHBondContact O-N 3.39Å; L333-L346 HydrophobicContact CB-CD1 4.08Å; L333-L346 HydrophobicContact CD2-CD1 4.17Å; L333-L346 HydrophobicContact CD2-CD2 3.5Å; L333-L346 HydrophobicContact CD2-CG 4.34Å; L333-L346 HydrophobicContact CG-CD1 4.27Å; L333-L346 HydrophobicContact CG-CD2 3.91Å; L333-L346 HydrophobicContact CG-CG 4.39Å; L346-H352 WeakPolarHBondContact O-CA 3.26Å; L346-L353 PolarHBondContact O-N 3.05Å; L346-L358 HydrophobicContact CD2-CD2 4Å
347	Y	90.3	Very high	94	Very high	53 Å²	53	26.6 Å²	26.6	21%	0.208	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.4	-173.2	-62.4	-105.3	0	0	0	110.9	K331 R351 H352	K331-Y347 HydrophobicContact CB-CD2 3.52Å; K331-Y347 HydrophobicContact CB-CE2 3.88Å; K331-Y347 HydrophobicContact CB-CG 4.35Å; K331-Y347 HydrophobicContact CD-CD2 4.23Å; K331-Y347 HydrophobicContact CD-CG 4.31Å; K331-Y347 HydrophobicContact CG-CD2 3.74Å; K331-Y347 HydrophobicContact CG-CE2 3.88Å; K331-Y347 HydrophobicContact CG-CG 4.3Å; K331-Y347 WeakPolarHBondContact O-CD2 3.18Å; Y347-R351 CarbonylContact C-O 3.52Å; Y347-R351 WeakPolarHBondContact CA-O 3.48Å; Y347-R351 WeakPolarHBondContact CB-O 3.11Å; Y347-H352 AromaticContact CD1-CD2 3.69Å; Y347-H352 AromaticContact CE1-CD2 3.15Å; Y347-H352 WeakPolarHBondContact CE1-CD2 3.48Å; Y347-H352 AromaticContact CE1-NE2 3.49Å; Y347-H352 WeakPolarHBondContact CE1-NE2 3.36Å; Y347-H352 AromaticContact CZ-CD2 3.68Å; Y347-H352 AromaticContact CZ-NE2 3.85Å
348	T	85.5	Confident	94	Very high	30 Å²	30	26.3 Å²	26.3	18%	0.184	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.9	169.5	-172.5	0	0	0	0	109	G350 R351 L353 L510	T348-G350 PolarHBondContact O-N 2.7Å; T348-R351 HydrophobicContact CG2-CG 4.28Å; T348-R351 VanDerWaalsContact CG2-CZ 3.49Å; T348-R351 PolarHBondContact N-O 3Å; T348-R351 WeakPolarHBondContact O-CG 3.5Å; T348-R351 PolarHBondContact O-N 2.76Å; T348-L353 HydrophobicContact CG2-CD2 3.56Å; T348-L510 HydrophobicContact CG2-CD2 4.06Å
349	G	78.2	Confident	94.1	Very high	22 Å²	22	20.9 Å²	20.9	23%	0.227	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	31	178.8	0	0	0	0	0	115.2	R351	G349-R351 VanDerWaalsContact C-N 3.3Å; G349-R351 PolarHBondContact O-N 2.61Å
350	G	79.6	Confident	94.1	Very high	18 Å²	18	23.8 Å²	23.8	19%	0.186	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-7.1	-177.2	0	0	0	0	0	116	T37 T348	T37-G350 VanDerWaalsContact CG2-O 3.26Å; T37-G350 WeakPolarHBondContact CG2-O 3.37Å; T348-G350 PolarHBondContact O-N 2.7Å
351	R	87.9	Confident	94.1	Very high	89 Å²	89	24 Å²	24	34%	0.336	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	164.8	174.4	62.6	164.8	-179.1	84.7	-6.1	111.9	Y347 T348 G349 E357	Y347-R351 CarbonylContact C-O 3.52Å; Y347-R351 WeakPolarHBondContact CA-O 3.48Å; Y347-R351 WeakPolarHBondContact CB-O 3.11Å; T348-R351 HydrophobicContact CG2-CG 4.28Å; T348-R351 VanDerWaalsContact CG2-CZ 3.49Å; T348-R351 PolarHBondContact N-O 3Å; T348-R351 WeakPolarHBondContact O-CG 3.5Å; T348-R351 PolarHBondContact O-N 2.76Å; G349-R351 VanDerWaalsContact C-N 3.3Å; G349-R351 PolarHBondContact O-N 2.61Å; R351-E357 IonicContact CZ-OE1 3.82Å; R351-E357 IonicContact CZ-OE2 2.79Å; R351-E357 IonicContact NH1-OE1 2.64Å; R351-E357 IonicContact NH1-OE2 3.59Å; R351-E357 PolarHBondContact NH1-OE2 2.83Å; R351-E357 IonicContact NH2-OE1 2.83Å; R351-E357 PolarHBondContact NH2-OE1 2.73Å; R351-E357 IonicContact NH2-OE2 3.13Å; R351-E357 PolarHBondContact NH2-OE2 3.23Å
352	H	93.1	Very high	94.1	Very high	11 Å²	11	24 Å²	24	5%	0.051	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	150.5	166.1	-58.6	169.7	0	0	0	109	L280 R284 L346 Y347	L280-H352 WeakPolarHBondContact CB-ND1 3.47Å; L280-H352 HydrophobicContact CD1-CB 4.08Å; L280-H352 PolarHBondContact O-CE1 2.62Å; R284-H352 VanDerWaalsContact CZ-CE1 3.44Å; R284-H352 PolarHBondContact NE-CE1 3.49Å; R284-H352 PolarHBondContact NE-NE2 2.87Å; R284-H352 PolarHBondContact NH2-CD2 3.27Å; R284-H352 PolarHBondContact NH2-CE1 2.9Å; R284-H352 VanDerWaalsContact NH2-CG 3.27Å; R284-H352 PolarHBondContact NH2-ND1 2.79Å; R284-H352 VanDerWaalsContact NH2-ND1 3.17Å; R284-H352 PolarHBondContact NH2-NE2 3.23Å; L346-H352 WeakPolarHBondContact O-CA 3.26Å; Y347-H352 AromaticContact CD1-CD2 3.69Å; Y347-H352 AromaticContact CE1-CD2 3.15Å; Y347-H352 WeakPolarHBondContact CE1-CD2 3.48Å; Y347-H352 AromaticContact CE1-NE2 3.49Å; Y347-H352 WeakPolarHBondContact CE1-NE2 3.36Å; Y347-H352 AromaticContact CZ-CD2 3.68Å; Y347-H352 AromaticContact CZ-NE2 3.85Å
353	L	95	Very high	94.1	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-58.7	141.8	164.1	-65.2	-170.1	0	0	0	110	H277 W345 L346 T348 E357 L358 Q361 L510	H277-L353 PolarHBondContact CE1-O 3.13Å; H277-L353 PolarHBondContact ND1-O 2.9Å; W345-L353 WeakPolarHBondContact O-CD1 3.43Å; L346-L353 PolarHBondContact O-N 3.05Å; T348-L353 HydrophobicContact CG2-CD2 3.56Å; L353-E357 WeakPolarHBondContact CA-OE2 3.3Å; L353-E357 HydrophobicContact CB-CB 4.33Å; L353-L358 HydrophobicContact CB-CD1 4.39Å; L353-L358 HydrophobicContact CB-CD2 3.93Å; L353-L358 HydrophobicContact CB-CG 3.77Å; L353-L358 HydrophobicContact CD1-CD2 3.91Å; L353-L358 HydrophobicContact CD1-CG 4.47Å; L353-L358 HydrophobicContact CG-CD2 4.49Å; L353-Q361 HydrophobicContact CD1-CG 4.49Å; L353-L510 HydrophobicContact CD2-CD1 4.07Å; L353-L510 HydrophobicContact CD2-CD2 3.9Å
354	L	96.6	Very high	94.1	Very high	63 Å²	63	28.4 Å²	28.4	33%	0.33	14%	0.142	S	C	.	.	P	Polyproline II helix	trans	-72.3	159.1	174.6	-62.1	178.2	0	0	0	110.1	S356 E357 L358	L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 2.79Å; L354-E357 HydrophobicContact CB-CB 4.41Å; L354-E357 HydrophobicContact CB-CG 4.1Å; L354-E357 PolarHBondContact N-OE2 3.08Å; L354-E357 WeakPolarHBondContact O-CB 3.36Å; L354-E357 PolarHBondContact O-N 3.49Å; L354-L358 PolarHBondContact O-N 3.13Å
355	P	98	Very high	94.1	Very high	10 Å²	10	28.5 Å²	28.5	7%	0.065	14%	0.142	C	C	.	.	H	α-helix	trans	-58.2	-39.7	179.2	-24	33.2	0	0	0	114.3	N274 H277 L358 E359 L494 C502	N274-P355 WeakPolarHBondContact OD1-CB 3.47Å; H277-P355 HydrophobicContact CB-CB 4.45Å; H277-P355 HydrophobicContact CB-CG 3.88Å; P355-L358 PolarHBondContact O-N 3.49Å; P355-E359 WeakPolarHBondContact O-CB 3.43Å; P355-E359 PolarHBondContact O-N 3.16Å; P355-L494 HydrophobicContact CG-CD1 4.43Å; P355-L494 HydrophobicContact CG-CD2 4.35Å; P355-C502 VanDerWaalsContact C-CB 3.5Å; P355-C502 HydrophobicContact CB-CB 3.81Å; P355-C502 PolarHBondContact O-SG 3.18Å; P355-C502 VanDerWaalsContact O-SG 3.38Å
356	S	97.6	Very high	94.2	Very high	5 Å²	5	26 Å²	26	4%	0.035	14%	0.135	C	C	.	.	H	α-helix	trans	-68.4	-34.8	177	56.6	0	0	0	0	112.9	L354 N360 G504 D505	L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 2.79Å; S356-N360 WeakPolarHBondContact O-CB 3.44Å; S356-N360 PolarHBondContact O-N 2.59Å; S356-G504 WeakPolarHBondContact CB-O 3.49Å; S356-G504 PolarHBondContact OG-O 3.28Å; S356-D505 PolarHBondContact OG-O 3.33Å
357	E	97.3	Very high	94.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-44.5	172.1	-67	174.6	149.6	0	0	111.2	R351 L353 L354 N360 Q361 N507 L510	R351-E357 IonicContact CZ-OE1 3.82Å; R351-E357 IonicContact CZ-OE2 2.79Å; R351-E357 IonicContact NH1-OE1 2.64Å; R351-E357 IonicContact NH1-OE2 3.59Å; R351-E357 PolarHBondContact NH1-OE2 2.83Å; R351-E357 IonicContact NH2-OE1 2.83Å; R351-E357 PolarHBondContact NH2-OE1 2.73Å; R351-E357 IonicContact NH2-OE2 3.13Å; R351-E357 PolarHBondContact NH2-OE2 3.23Å; L353-E357 WeakPolarHBondContact CA-OE2 3.3Å; L353-E357 HydrophobicContact CB-CB 4.33Å; L354-E357 HydrophobicContact CB-CB 4.41Å; L354-E357 HydrophobicContact CB-CG 4.1Å; L354-E357 PolarHBondContact N-OE2 3.08Å; L354-E357 WeakPolarHBondContact O-CB 3.36Å; L354-E357 PolarHBondContact O-N 3.49Å; E357-N360 PolarHBondContact O-N 2.61Å; E357-Q361 VanDerWaalsContact O-CG 3.31Å; E357-Q361 WeakPolarHBondContact O-CG 3.44Å; E357-Q361 PolarHBondContact O-N 2.96Å; E357-N507 WeakPolarHBondContact OE1-CB 3.14Å; E357-L510 HydrophobicContact CB-CD1 3.6Å; E357-L510 HydrophobicContact CG-CD1 3.67Å
358	L	98.3	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-43	176.2	-72.5	165.3	0	0	0	111.9	G273 V276 H277 L346 L353 L354 P355 N360 Q361 F362	G273-L358 WeakPolarHBondContact O-CD1 3.5Å; V276-L358 HydrophobicContact CB-CD1 4.22Å; V276-L358 HydrophobicContact CG1-CD1 3.87Å; V276-L358 HydrophobicContact CG1-CD2 4.1Å; H277-L358 HydrophobicContact CB-CD1 3.94Å; L346-L358 HydrophobicContact CD2-CD2 4Å; L353-L358 HydrophobicContact CB-CD1 4.39Å; L353-L358 HydrophobicContact CB-CD2 3.93Å; L353-L358 HydrophobicContact CB-CG 3.77Å; L353-L358 HydrophobicContact CD1-CD2 3.91Å; L353-L358 HydrophobicContact CD1-CG 4.47Å; L353-L358 HydrophobicContact CG-CD2 4.49Å; L354-L358 PolarHBondContact O-N 3.13Å; P355-L358 PolarHBondContact O-N 3.49Å; L358-N360 VanDerWaalsContact C-N 3.31Å; L358-N360 PolarHBondContact O-N 3.4Å; L358-Q361 PolarHBondContact O-N 2.87Å; L358-Q361 VanDerWaalsContact O-N 3.17Å; L358-F362 HydrophobicContact CB-CE2 3.98Å; L358-F362 HydrophobicContact CB-CZ 4.47Å; L358-F362 HydrophobicContact CD2-CZ 4.23Å; L358-F362 WeakPolarHBondContact O-CD2 3.23Å; L358-F362 VanDerWaalsContact O-CG 3.28Å; L358-F362 WeakPolarHBondContact O-CG 3.48Å; L358-F362 PolarHBondContact O-N 2.79Å
359	E	98.4	Very high	95.2	Very high	16 Å²	16	36 Å²	36	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-54	-48.9	172.6	172.2	176.1	-169.1	0	0	110.9	A269 A270 P355 Q361 F362 Q363 H501 C502	A269-E359 HydrophobicContact CB-CG 4.06Å; A270-E359 HydrophobicContact CB-CG 4.28Å; A270-E359 WeakPolarHBondContact CB-OE1 3.28Å; P355-E359 WeakPolarHBondContact O-CB 3.43Å; P355-E359 PolarHBondContact O-N 3.16Å; E359-Q361 VanDerWaalsContact C-N 3.32Å; E359-Q361 PolarHBondContact O-N 3.49Å; E359-F362 PolarHBondContact O-N 2.89Å; E359-Q363 WeakPolarHBondContact O-CB 3.39Å; E359-Q363 PolarHBondContact O-N 2.86Å; E359-H501 IonicContact OE1-CE1 2.71Å; E359-H501 IonicContact OE1-CG 2.64Å; E359-H501 IonicContact OE1-ND1 3.69Å; E359-H501 PolarHBondContact OE1-ND1 2.93Å; E359-H501 IonicContact OE2-ND1 3.54Å; E359-C502 HydrophobicContact CB-CB 4.36Å; E359-C502 WeakPolarHBondContact OE2-CB 3.38Å; E359-C502 PolarHBondContact OE2-N 2.84Å
360	N	97.8	Very high	96	Very high	62 Å²	62	37.3 Å²	37.3	33%	0.332	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-38.7	178.2	-177.3	70.5	0	0	0	112.6	S356 E357 L358 Q363 Q364 V506	S356-N360 WeakPolarHBondContact O-CB 3.44Å; S356-N360 PolarHBondContact O-N 2.59Å; E357-N360 PolarHBondContact O-N 2.61Å; L358-N360 VanDerWaalsContact C-N 3.31Å; L358-N360 PolarHBondContact O-N 3.4Å; N360-Q363 PolarHBondContact O-N 3.4Å; N360-Q364 PolarHBondContact ND2-NE2 3.1Å; N360-Q364 WeakPolarHBondContact O-CG 3.17Å; N360-Q364 PolarHBondContact O-N 3.48Å; N360-Q364 PolarHBondContact O-NE2 3.07Å; N360-V506 HydrophobicContact CB-CG1 4.01Å
361	Q	98.1	Very high	96.8	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-41.7	175.5	-64	-67.2	82.2	0	0	111.8	V344 L353 E357 L358 E359 Q364 I365 P511 P513	V344-Q361 HydrophobicContact CG1-CB 4.24Å; L353-Q361 HydrophobicContact CD1-CG 4.49Å; E357-Q361 VanDerWaalsContact O-CG 3.31Å; E357-Q361 WeakPolarHBondContact O-CG 3.44Å; E357-Q361 PolarHBondContact O-N 2.96Å; L358-Q361 PolarHBondContact O-N 2.87Å; L358-Q361 VanDerWaalsContact O-N 3.17Å; E359-Q361 VanDerWaalsContact C-N 3.32Å; E359-Q361 PolarHBondContact O-N 3.49Å; Q361-Q364 PolarHBondContact O-N 3.19Å; Q361-I365 PolarHBondContact O-N 3.44Å; Q361-P511 PolarHBondContact NE2-O 3.37Å; Q361-P513 HydrophobicContact CB-CG 4.23Å; Q361-P513 WeakPolarHBondContact O-CG 3.41Å
362	F	98.7	Very high	97.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.1	-36.2	177.8	-58.9	-36.5	0	0	0	112	A269 A272 V276 L333 V335 V344 L358 E359 Q364 I365 L366 L417 L419	A269-F362 HydrophobicContact CB-CB 4.13Å; A272-F362 HydrophobicContact CB-CD2 3.6Å; A272-F362 HydrophobicContact CB-CE2 3.85Å; A272-F362 HydrophobicContact CB-CG 4.41Å; V276-F362 HydrophobicContact CB-CE2 4.35Å; V276-F362 HydrophobicContact CB-CZ 4.34Å; V276-F362 HydrophobicContact CG1-CZ 4.39Å; V276-F362 HydrophobicContact CG2-CE2 4.05Å; V276-F362 HydrophobicContact CG2-CZ 3.91Å; L333-F362 HydrophobicContact CD1-CE1 4.49Å; L333-F362 HydrophobicContact CD2-CZ 4.48Å; V335-F362 HydrophobicContact CG2-CD1 4.2Å; V335-F362 HydrophobicContact CG2-CE1 3.92Å; V344-F362 HydrophobicContact CG1-CE1 4.48Å; L358-F362 HydrophobicContact CB-CE2 3.98Å; L358-F362 HydrophobicContact CB-CZ 4.47Å; L358-F362 HydrophobicContact CD2-CZ 4.23Å; L358-F362 WeakPolarHBondContact O-CD2 3.23Å; L358-F362 VanDerWaalsContact O-CG 3.28Å; L358-F362 WeakPolarHBondContact O-CG 3.48Å; L358-F362 PolarHBondContact O-N 2.79Å; E359-F362 PolarHBondContact O-N 2.89Å; F362-Q364 VanDerWaalsContact C-N 3.33Å; F362-Q364 PolarHBondContact O-N 3.27Å; F362-I365 HydrophobicContact CD1-CD1 4.48Å; F362-I365 WeakPolarHBondContact O-CB 3.49Å; F362-I365 PolarHBondContact O-N 3.03Å; F362-I365 VanDerWaalsContact O-N 3.13Å; F362-L366 WeakPolarHBondContact O-CG 3.3Å; F362-L366 PolarHBondContact O-N 3.1Å; F362-L417 HydrophobicContact CD1-CD2 4.02Å; F362-L417 HydrophobicContact CE1-CD2 3.58Å; F362-L417 HydrophobicContact CE2-CD2 4.16Å; F362-L417 HydrophobicContact CZ-CD2 3.67Å; F362-L419 HydrophobicContact CB-CD1 4.23Å
363	Q	98.2	Very high	97.5	Very high	66 Å²	66	45.6 Å²	45.6	31%	0.308	24%	0.24	S	C	.	.	H	α-helix	trans	-65.2	-37.2	175.4	-168.2	61.9	58.5	0	0	111.8	A269 E359 N360 I365 L366 N367	A269-Q363 HydrophobicContact CB-CB 4.16Å; E359-Q363 WeakPolarHBondContact O-CB 3.39Å; E359-Q363 PolarHBondContact O-N 2.86Å; N360-Q363 PolarHBondContact O-N 3.4Å; Q363-I365 VanDerWaalsContact C-N 3.29Å; Q363-I365 PolarHBondContact O-N 3.12Å; Q363-L366 PolarHBondContact O-N 3.03Å; Q363-N367 PolarHBondContact NE2-OD1 3.05Å; Q363-N367 WeakPolarHBondContact O-CB 3.33Å; Q363-N367 PolarHBondContact O-N 2.83Å; Q363-N367 PolarHBondContact O-ND2 3.49Å; Q363-N367 PolarHBondContact O-OD1 3.14Å
364	Q	98	Very high	97.6	Very high	58 Å²	58	49.9 Å²	49.9	27%	0.271	27%	0.268	S	S	.	.	H	α-helix	trans	-58	-41.6	171	-78.4	172.1	65.8	0	0	111.8	N360 Q361 F362 N367 D368 S512	N360-Q364 PolarHBondContact ND2-NE2 3.1Å; N360-Q364 WeakPolarHBondContact O-CG 3.17Å; N360-Q364 PolarHBondContact O-N 3.48Å; N360-Q364 PolarHBondContact O-NE2 3.07Å; Q361-Q364 PolarHBondContact O-N 3.19Å; F362-Q364 VanDerWaalsContact C-N 3.33Å; F362-Q364 PolarHBondContact O-N 3.27Å; Q364-N367 PolarHBondContact O-N 3.27Å; Q364-D368 PolarHBondContact O-N 3.05Å; Q364-S512 PolarHBondContact OE1-OG 2.78Å
365	I	98.7	Very high	97.6	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-67.9	-42.9	177.9	-65	167.6	0	0	0	111.6	V335 H337 F342 V344 Q361 F362 Q363 N367 D368 L419 P513	V335-I365 HydrophobicContact CB-CD1 3.83Å; V335-I365 HydrophobicContact CG1-CD1 3.97Å; V335-I365 HydrophobicContact CG1-CG2 4.28Å; V335-I365 HydrophobicContact CG2-CD1 3.83Å; H337-I365 HydrophobicContact CB-CG2 3.74Å; H337-I365 PolarHBondContact CD2-O 3.42Å; F342-I365 HydrophobicContact CB-CD1 3.84Å; F342-I365 HydrophobicContact CB-CG1 4.2Å; F342-I365 HydrophobicContact CD1-CG1 4.18Å; F342-I365 HydrophobicContact CD2-CG1 4.33Å; F342-I365 HydrophobicContact CD2-CG2 3.67Å; F342-I365 HydrophobicContact CE2-CG2 3.71Å; F342-I365 HydrophobicContact CG-CD1 4.15Å; F342-I365 HydrophobicContact CG-CG1 4Å; F342-I365 HydrophobicContact CG-CG2 4.21Å; F342-I365 HydrophobicContact CZ-CG2 4.26Å; V344-I365 HydrophobicContact CG2-CD1 3.77Å; Q361-I365 PolarHBondContact O-N 3.44Å; F362-I365 HydrophobicContact CD1-CD1 4.48Å; F362-I365 WeakPolarHBondContact O-CB 3.49Å; F362-I365 PolarHBondContact O-N 3.03Å; F362-I365 VanDerWaalsContact O-N 3.13Å; Q363-I365 VanDerWaalsContact C-N 3.29Å; Q363-I365 PolarHBondContact O-N 3.12Å; I365-N367 VanDerWaalsContact C-N 3.26Å; I365-N367 PolarHBondContact O-N 3.23Å; I365-D368 WeakPolarHBondContact O-CB 3.36Å; I365-D368 PolarHBondContact O-N 2.73Å; I365-L419 HydrophobicContact CB-CD1 4.39Å; I365-L419 HydrophobicContact CG2-CD1 4.15Å; I365-P513 HydrophobicContact CD1-CB 3.91Å; I365-P513 HydrophobicContact CD1-CG 3.97Å; I365-P513 HydrophobicContact CG1-CB 3.85Å; I365-P513 HydrophobicContact CG1-CG 3.82Å
366	L	98.6	Very high	97.6	Very high	28 Å²	28	47.2 Å²	47.2	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-36.8	176.2	-69.4	174.9	0	0	0	111.9	A269 F362 Q363 D368 L419	A269-L366 HydrophobicContact CB-CD1 3.99Å; F362-L366 WeakPolarHBondContact O-CG 3.3Å; F362-L366 PolarHBondContact O-N 3.1Å; Q363-L366 PolarHBondContact O-N 3.03Å; L366-D368 VanDerWaalsContact C-N 3.34Å; L366-L419 HydrophobicContact CD2-CB 3.97Å; L366-L419 HydrophobicContact CD2-CD1 3.89Å; L366-L419 HydrophobicContact CD2-CG 4.5Å; L366-L419 HydrophobicContact CG-CD1 4.01Å
367	N	97.9	Very high	97.6	Very high	107 Å²	107	50.2 Å²	50.2	57%	0.572	27%	0.274	S	S	*	.	H	α-helix	trans	-81.4	-12.2	179.8	-67.1	-7.3	0	0	0	113.3	Q363 Q364 I365 T369	Q363-N367 PolarHBondContact NE2-OD1 3.05Å; Q363-N367 WeakPolarHBondContact O-CB 3.33Å; Q363-N367 PolarHBondContact O-N 2.83Å; Q363-N367 PolarHBondContact O-ND2 3.49Å; Q363-N367 PolarHBondContact O-OD1 3.14Å; Q364-N367 PolarHBondContact O-N 3.27Å; I365-N367 VanDerWaalsContact C-N 3.26Å; I365-N367 PolarHBondContact O-N 3.23Å; N367-T369 PolarHBondContact O-N 3.06Å
368	D	97.4	Very high	97.6	Very high	51 Å²	51	53.1 Å²	53.1	27%	0.273	29%	0.286	S	S	.	.			trans	-68.4	123.7	-179	-171.1	-49.2	0	0	0	110.3	R340 F342 Q364 I365 L366 S370	R340-D368 VanDerWaalsContact CZ-O 3.28Å; R340-D368 PolarHBondContact NH1-O 2.68Å; R340-D368 IonicContact NH1-OD1 3.98Å; R340-D368 PolarHBondContact NH1-OD1 3.22Å; R340-D368 PolarHBondContact NH2-O 2.98Å; F342-D368 HydrophobicContact CE1-CB 4.48Å; F342-D368 HydrophobicContact CZ-CB 4.29Å; Q364-D368 PolarHBondContact O-N 3.05Å; I365-D368 WeakPolarHBondContact O-CB 3.36Å; I365-D368 PolarHBondContact O-N 2.73Å; L366-D368 VanDerWaalsContact C-N 3.34Å; D368-S370 WeakPolarHBondContact OD1-CB 3.49Å; D368-S370 PolarHBondContact OD1-N 2.84Å; D368-S370 PolarHBondContact OD1-OG 2.81Å
369	T	95.8	Very high	97.7	Very high	134 Å²	134	53.1 Å²	53.1	82%	0.822	29%	0.286	S	S	*	.			trans	-102.5	5.1	-177.4	56.4	0	0	0	0	114.2	N367	N367-T369 PolarHBondContact O-N 3.06Å
370	S	95.8	Very high	97.6	Very high	51 Å²	51	52.4 Å²	52.4	36%	0.357	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-57.6	146.9	176.2	63.7	0	0	0	0	111.8	R340 D368	R340-S370 WeakPolarHBondContact CD-O 3.31Å; R340-S370 PolarHBondContact NE-O 2.9Å; R340-S370 PolarHBondContact NH1-O 3.04Å; R340-S370 PolarHBondContact NH1-OG 3.3Å; D368-S370 WeakPolarHBondContact OD1-CB 3.49Å; D368-S370 PolarHBondContact OD1-N 2.84Å; D368-S370 PolarHBondContact OD1-OG 2.81Å
371	K	96.6	Very high	97.7	Very high	184 Å²	184	49.4 Å²	49.4	80%	0.8	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-83	149.9	175.5	-66.7	-176.6	179.5	179.7	0	110.8
372	P	97.3	Very high	97.7	Very high	49 Å²	49	49.1 Å²	49.1	32%	0.318	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-61.7	147	169	28	-34.5	0	0	0	110.6	G339 R340 E376 L377	G339-P372 WeakPolarHBondContact O-CB 3.41Å; R340-P372 HydrophobicContact CG-CB 4.09Å; P372-E376 WeakPolarHBondContact CA-OE2 3.49Å; P372-E376 HydrophobicContact CB-CB 4.37Å; P372-L377 HydrophobicContact CB-CB 4.23Å; P372-L377 HydrophobicContact CG-CB 4.22Å
373	Q	97.2	Very high	97.7	Very high	58 Å²	58	49.1 Å²	49.1	27%	0.271	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-70.6	159.4	173.1	-65.5	169.4	20	0	0	110	G375 E376 W518	Q373-G375 PolarHBondContact O-N 2.77Å; Q373-E376 HydrophobicContact CB-CB 4.19Å; Q373-E376 PolarHBondContact N-OE2 3Å; Q373-E376 WeakPolarHBondContact O-CB 3.31Å; Q373-E376 PolarHBondContact O-N 3.21Å; Q373-W518 PolarHBondContact OE1-O 3.04Å
374	P	97.2	Very high	97.7	Very high	94 Å²	94	46 Å²	46	61%	0.61	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	131.9	177.2	-27.2	35.9	0	0	0	112.1	E376	P374-E376 PolarHBondContact O-N 2.66Å; P374-E376 VanDerWaalsContact O-N 3.15Å
375	G	96.6	Very high	97.6	Very high	18 Å²	18	43.2 Å²	43.2	19%	0.186	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-17.8	-175.8	0	0	0	0	0	116.4	Q373 L379	Q373-G375 PolarHBondContact O-N 2.77Å; G375-L379 PolarHBondContact O-N 2.81Å
376	E	98.1	Very high	97.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-68.6	-41.9	-169.7	-174.6	-175.9	-167	0	0	113.6	G339 Y341 P372 Q373 P374 K378 L379 R515 W518	G339-E376 WeakPolarHBondContact O-CG 3.37Å; Y341-E376 HydrophobicContact CD2-CG 3.91Å; Y341-E376 WeakPolarHBondContact CD2-OE1 3.32Å; Y341-E376 HydrophobicContact CE2-CG 3.87Å; P372-E376 WeakPolarHBondContact CA-OE2 3.49Å; P372-E376 HydrophobicContact CB-CB 4.37Å; Q373-E376 HydrophobicContact CB-CB 4.19Å; Q373-E376 PolarHBondContact N-OE2 3Å; Q373-E376 WeakPolarHBondContact O-CB 3.31Å; Q373-E376 PolarHBondContact O-N 3.21Å; P374-E376 PolarHBondContact O-N 2.66Å; P374-E376 VanDerWaalsContact O-N 3.15Å; E376-K378 PolarHBondContact O-N 3.03Å; E376-L379 WeakPolarHBondContact O-CB 3.45Å; E376-L379 PolarHBondContact O-N 3.24Å; E376-R515 IonicContact OE1-CZ 2.75Å; E376-R515 IonicContact OE1-NH1 3.07Å; E376-R515 PolarHBondContact OE1-NH1 3.22Å; E376-R515 IonicContact OE1-NH2 3.61Å; E376-R515 PolarHBondContact OE1-NH2 2.94Å; E376-R515 IonicContact OE2-CZ 3.97Å; E376-R515 IonicContact OE2-NH1 3.24Å; E376-R515 IonicContact OE2-NH2 2.9Å; E376-R515 PolarHBondContact OE2-NH2 3.19Å; E376-W518 HydrophobicContact CG-CG 4.39Å; E376-W518 PolarHBondContact OE1-NE1 2.77Å; E376-W518 VanDerWaalsContact OE1-NE1 3.13Å
377	L	97.9	Very high	97.6	Very high	68 Å²	68	44.4 Å²	44.4	36%	0.356	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-49.1	-42.1	-175.6	170.6	64.4	0	0	0	112	P372 Y447	P372-L377 HydrophobicContact CB-CB 4.23Å; P372-L377 HydrophobicContact CG-CB 4.22Å; L377-Y447 HydrophobicContact CD1-CE2 4.13Å; L377-Y447 WeakPolarHBondContact O-CD2 3.06Å
378	K	98.2	Very high	97.6	Very high	63 Å²	63	40.9 Å²	40.9	27%	0.274	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-103.9	6.4	-176.2	-65	-176.6	-179	177.1	0	113.5	E376 A380 A381 Y447 I528 Y532	E376-K378 PolarHBondContact O-N 3.03Å; K378-A380 VanDerWaalsContact C-N 3.29Å; K378-A380 PolarHBondContact O-N 2.97Å; K378-A380 VanDerWaalsContact O-N 3.14Å; K378-A381 WeakPolarHBondContact O-CB 3.35Å; K378-A381 PolarHBondContact O-N 2.87Å; K378-Y447 HydrophobicContact CB-CG 4.45Å; K378-Y447 HydrophobicContact CG-CD1 4.07Å; K378-Y447 HydrophobicContact CG-CE1 4.49Å; K378-Y447 HydrophobicContact CG-CG 4.14Å; K378-I528 HydrophobicContact CB-CG2 3.7Å; K378-I528 WeakPolarHBondContact O-CG2 3.39Å; K378-Y532 HydrophobicContact CD-CD1 4.21Å; K378-Y532 HydrophobicContact CD-CD2 4.43Å; K378-Y532 HydrophobicContact CD-CG 4.12Å
379	L	98.6	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-44.1	-170.6	173.8	61	0	0	0	113.4	Y341 G375 E376 A381 L382 F398 W518 I520 I528	Y341-L379 HydrophobicContact CE2-CB 4.39Å; Y341-L379 HydrophobicContact CE2-CD2 4.37Å; G375-L379 PolarHBondContact O-N 2.81Å; E376-L379 WeakPolarHBondContact O-CB 3.45Å; E376-L379 PolarHBondContact O-N 3.24Å; L379-A381 PolarHBondContact O-N 2.7Å; L379-A381 VanDerWaalsContact O-N 3.12Å; L379-L382 HydrophobicContact CD1-CD1 3.88Å; L379-L382 WeakPolarHBondContact O-CG 3.3Å; L379-L382 PolarHBondContact O-N 3Å; L379-F398 HydrophobicContact CD1-CE1 3.86Å; L379-F398 HydrophobicContact CD1-CE2 4.44Å; L379-F398 HydrophobicContact CD1-CZ 3.43Å; L379-F398 VanDerWaalsContact CD1-CZ 3.43Å; L379-F398 HydrophobicContact CD2-CE1 4.37Å; L379-W518 HydrophobicContact CD2-CD2 3.78Å; L379-W518 HydrophobicContact CD2-CE3 3.83Å; L379-W518 HydrophobicContact CD2-CH2 3.59Å; L379-W518 HydrophobicContact CD2-CZ2 3.52Å; L379-W518 HydrophobicContact CD2-CZ3 3.75Å; L379-I520 HydrophobicContact CD1-CD1 4.13Å; L379-I520 HydrophobicContact CD2-CD1 4.32Å; L379-I528 HydrophobicContact CD1-CD1 3.86Å; L379-I528 HydrophobicContact CD1-CG1 4.47Å
380	A	98.3	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.1	-177.9	0	0	0	0	0	114.1	Y341 K378 L382 T383 A384 Y447 R449 W450	Y341-A380 WeakPolarHBondContact OH-CB 3.42Å; Y341-A380 PolarHBondContact OH-N 3.22Å; K378-A380 VanDerWaalsContact C-N 3.29Å; K378-A380 PolarHBondContact O-N 2.97Å; K378-A380 VanDerWaalsContact O-N 3.14Å; A380-L382 PolarHBondContact O-N 2.96Å; A380-L382 VanDerWaalsContact O-N 3.16Å; A380-T383 WeakPolarHBondContact O-CB 3.44Å; A380-T383 PolarHBondContact O-N 3.27Å; A380-T383 PolarHBondContact O-OG1 2.94Å; A380-A384 PolarHBondContact O-N 2.7Å; A380-Y447 WeakPolarHBondContact CB-O 3.3Å; A380-R449 WeakPolarHBondContact CB-O 3.17Å; A380-W450 HydrophobicContact CB-CE3 3.61Å; A380-W450 HydrophobicContact CB-CZ3 3.91Å
381	A	98.6	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.6	-25.7	169.3	0	0	0	0	0	112.4	K378 L379 T383 A384 G385 C446 S531	K378-A381 WeakPolarHBondContact O-CB 3.35Å; K378-A381 PolarHBondContact O-N 2.87Å; L379-A381 PolarHBondContact O-N 2.7Å; L379-A381 VanDerWaalsContact O-N 3.12Å; A381-T383 PolarHBondContact O-N 3.18Å; A381-A384 WeakPolarHBondContact O-CB 3.11Å; A381-A384 PolarHBondContact O-N 3.24Å; A381-G385 PolarHBondContact O-N 3.34Å; A381-C446 WeakPolarHBondContact CA-O 3.34Å; A381-S531 WeakPolarHBondContact O-CB 3.49Å
382	L	98.7	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.5	-36.6	171.1	-66.8	171.7	0	0	0	112.1	L379 A380 A384 W390 T393 F398 V527 I528	L379-L382 HydrophobicContact CD1-CD1 3.88Å; L379-L382 WeakPolarHBondContact O-CG 3.3Å; L379-L382 PolarHBondContact O-N 3Å; A380-L382 PolarHBondContact O-N 2.96Å; A380-L382 VanDerWaalsContact O-N 3.16Å; L382-A384 VanDerWaalsContact C-N 3.32Å; L382-W390 HydrophobicContact CB-CD2 3.83Å; L382-W390 HydrophobicContact CB-CE3 3.53Å; L382-W390 HydrophobicContact CB-CG 4.31Å; L382-W390 HydrophobicContact CB-CZ3 4.02Å; L382-W390 HydrophobicContact CD1-CE3 3.76Å; L382-W390 HydrophobicContact CD1-CZ3 3.59Å; L382-W390 HydrophobicContact CD2-CE3 4.45Å; L382-W390 HydrophobicContact CG-CE3 4.11Å; L382-W390 HydrophobicContact CG-CZ3 4.4Å; L382-W390 WeakPolarHBondContact O-CB 3.35Å; L382-T393 HydrophobicContact CD1-CG2 3.72Å; L382-T393 HydrophobicContact CD2-CG2 3.97Å; L382-F398 HydrophobicContact CD1-CE2 4.2Å; L382-F398 HydrophobicContact CD1-CZ 4.43Å; L382-V527 HydrophobicContact CD2-CG1 4.05Å; L382-I528 HydrophobicContact CD1-CD1 4.4Å; L382-I528 HydrophobicContact CD1-CG1 3.74Å; L382-I528 HydrophobicContact CD2-CG1 3.96Å; L382-I528 HydrophobicContact CG-CG1 3.75Å
383	T	98.7	Very high	98	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-77.5	-19.9	177.3	73.3	0	0	0	0	113	A380 A381 R387 W390 W450 F451	A380-T383 WeakPolarHBondContact O-CB 3.44Å; A380-T383 PolarHBondContact O-N 3.27Å; A380-T383 PolarHBondContact O-OG1 2.94Å; A381-T383 PolarHBondContact O-N 3.18Å; T383-R387 PolarHBondContact O-NH1 2.93Å; T383-W390 HydrophobicContact CG2-CZ2 4.29Å; T383-W450 HydrophobicContact CG2-CD2 3.8Å; T383-W450 HydrophobicContact CG2-CE3 4.19Å; T383-W450 HydrophobicContact CG2-CG 4.27Å; T383-W450 HydrophobicContact CG2-CH2 4.22Å; T383-W450 HydrophobicContact CG2-CZ2 3.81Å; T383-W450 HydrophobicContact CG2-CZ3 4.39Å; T383-F451 PolarHBondContact OG1-N 2.93Å; T383-F451 VanDerWaalsContact OG1-N 3.08Å
384	A	98.1	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-86.3	-28.5	-178.8	0	0	0	0	0	113.3	P247 M249 A380 A381 L382 C446 F451 A535	P247-A384 WeakPolarHBondContact CB-O 3.02Å; M249-A384 HydrophobicContact SD-CB 3.93Å; A380-A384 PolarHBondContact O-N 2.7Å; A381-A384 WeakPolarHBondContact O-CB 3.11Å; A381-A384 PolarHBondContact O-N 3.24Å; L382-A384 VanDerWaalsContact C-N 3.32Å; A384-C446 WeakPolarHBondContact CB-O 3.49Å; A384-F451 HydrophobicContact CB-CD2 3.59Å; A384-F451 HydrophobicContact CB-CE2 3.53Å; A384-A535 HydrophobicContact CB-CB 3.69Å
385	G	96.3	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-85.6	-160.3	180	0	0	0	0	0	114.3	A381	A381-G385 PolarHBondContact O-N 3.34Å
386	D	97.3	Very high	98.2	Very high	55 Å²	55	35.3 Å²	35.3	29%	0.294	17%	0.166	S	C	.	.			trans	-64.4	148.1	-179.8	-75.2	-19.3	0	0	0	113.1	P247 P389 W390	P247-D386 WeakPolarHBondContact CD-OD1 3.45Å; P247-D386 WeakPolarHBondContact CG-OD1 3.44Å; D386-P389 HydrophobicContact CB-CG 3.98Å; D386-P389 WeakPolarHBondContact O-CD 3.37Å; D386-W390 PolarHBondContact O-N 2.9Å
387	R	98.3	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71.6	-36.8	-171.8	-50.7	-49.7	-65.2	171.5	-2	113	R245 G246 D322 T383 W390 A391 D452	R245-R387 WeakPolarHBondContact O-CG 3.3Å; R245-R387 PolarHBondContact O-N 3.46Å; R245-R387 VanDerWaalsContact O-N 3.08Å; G246-R387 WeakPolarHBondContact O-CG 3.5Å; D322-R387 IonicContact OD2-CZ 3.07Å; D322-R387 IonicContact OD2-NE 2.73Å; D322-R387 PolarHBondContact OD2-NE 3.45Å; D322-R387 IonicContact OD2-NH2 2.79Å; D322-R387 PolarHBondContact OD2-NH2 3.39Å; T383-R387 PolarHBondContact O-NH1 2.93Å; R387-W390 PolarHBondContact O-N 3.3Å; R387-A391 WeakPolarHBondContact O-CB 3.37Å; R387-A391 PolarHBondContact O-N 2.96Å; R387-D452 IonicContact CZ-OD1 2.83Å; R387-D452 IonicContact NH1-OD1 2.68Å; R387-D452 PolarHBondContact NH1-OD1 3.47Å; R387-D452 IonicContact NH2-OD1 2.73Å; R387-D452 PolarHBondContact NH2-OD1 2.93Å; R387-D452 IonicContact NH2-OD2 3.1Å
388	V	98.4	Very high	98.2	Very high	34 Å²	34	34 Å²	34	21%	0.206	16%	0.157	C	C	.	.	H	α-helix	trans	-71.1	-48.4	-176.4	-179.2	0	0	0	0	112.4	R245 I319 W390 A391 R392	R245-V388 HydrophobicContact CB-CG2 4.44Å; R245-V388 HydrophobicContact CG-CG2 4.4Å; I319-V388 HydrophobicContact CD1-CG1 4.45Å; I319-V388 WeakPolarHBondContact O-CG2 3.47Å; V388-W390 VanDerWaalsContact C-N 3.26Å; V388-W390 PolarHBondContact O-N 3.46Å; V388-A391 PolarHBondContact O-N 2.65Å; V388-R392 WeakPolarHBondContact O-CG 3.48Å; V388-R392 PolarHBondContact O-N 2.98Å
389	P	98.2	Very high	98.1	Very high	48 Å²	48	33.2 Å²	33.2	31%	0.312	16%	0.16	S	C	.	.	H	α-helix	trans	-55.4	-42.7	171.4	-27.1	36.6	0	0	0	112.1	D386 R392 T393	D386-P389 HydrophobicContact CB-CG 3.98Å; D386-P389 WeakPolarHBondContact O-CD 3.37Å; P389-R392 PolarHBondContact O-N 3.42Å; P389-T393 VanDerWaalsContact O-CB 3.32Å; P389-T393 WeakPolarHBondContact O-CB 3.27Å; P389-T393 PolarHBondContact O-N 3.08Å; P389-T393 PolarHBondContact O-OG1 2.89Å
390	W	98.4	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-49.9	176.5	-179.6	-156.3	0	0	0	112.2	P317 L382 T383 D386 R387 V388 R392 T393 R394 F398 L407 W450 D452	P317-W390 HydrophobicContact CB-CB 4.38Å; P317-W390 HydrophobicContact CB-CG 3.97Å; P317-W390 VanDerWaalsContact CG-CD1 3.46Å; P317-W390 HydrophobicContact CG-CD2 4.01Å; P317-W390 HydrophobicContact CG-CG 3.82Å; P317-W390 HydrophobicContact CG-CZ2 4.45Å; L382-W390 HydrophobicContact CB-CD2 3.83Å; L382-W390 HydrophobicContact CB-CE3 3.53Å; L382-W390 HydrophobicContact CB-CG 4.31Å; L382-W390 HydrophobicContact CB-CZ3 4.02Å; L382-W390 HydrophobicContact CD1-CE3 3.76Å; L382-W390 HydrophobicContact CD1-CZ3 3.59Å; L382-W390 HydrophobicContact CD2-CE3 4.45Å; L382-W390 HydrophobicContact CG-CE3 4.11Å; L382-W390 HydrophobicContact CG-CZ3 4.4Å; L382-W390 WeakPolarHBondContact O-CB 3.35Å; T383-W390 HydrophobicContact CG2-CZ2 4.29Å; D386-W390 PolarHBondContact O-N 2.9Å; R387-W390 PolarHBondContact O-N 3.3Å; V388-W390 VanDerWaalsContact C-N 3.26Å; V388-W390 PolarHBondContact O-N 3.46Å; W390-R392 VanDerWaalsContact C-N 3.33Å; W390-R392 PolarHBondContact O-N 3.35Å; W390-T393 PolarHBondContact O-N 2.59Å; W390-R394 HydrophobicContact CD2-CB 4.46Å; W390-R394 HydrophobicContact CE3-CB 3.97Å; W390-R394 HydrophobicContact CH2-CB 3.92Å; W390-R394 HydrophobicContact CH2-CG 4.03Å; W390-R394 HydrophobicContact CZ2-CB 4.4Å; W390-R394 HydrophobicContact CZ2-CG 4.41Å; W390-R394 HydrophobicContact CZ3-CB 3.68Å; W390-R394 HydrophobicContact CZ3-CG 4.3Å; W390-R394 WeakPolarHBondContact O-CB 3.39Å; W390-R394 PolarHBondContact O-N 3.49Å; W390-F398 HydrophobicContact CZ3-CD2 4.24Å; W390-F398 HydrophobicContact CZ3-CE2 4.33Å; W390-L407 HydrophobicContact CH2-CD1 4.32Å; W390-L407 HydrophobicContact CH2-CD2 4.39Å; W390-W450 HydrophobicContact CH2-CZ2 4.4Å; W390-W450 HydrophobicContact CZ2-CH2 4.45Å; W390-W450 AromaticContact CZ2-CZ2 3.96Å; W390-W450 HydrophobicContact CZ2-CZ2 3.96Å; W390-D452 PolarHBondContact NE1-OD2 3.23Å
391	A	98.7	Very high	97.8	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-55.6	-45.5	177.8	0	0	0	0	0	112.7	P317 G318 I319 R387 V388 L395	P317-A391 HydrophobicContact CB-CB 3.99Å; P317-A391 HydrophobicContact CG-CB 4.5Å; G318-A391 VanDerWaalsContact C-CB 3.45Å; G318-A391 WeakPolarHBondContact O-CB 3.29Å; I319-A391 HydrophobicContact CD1-CB 3.82Å; I319-A391 HydrophobicContact CG1-CB 4.46Å; R387-A391 WeakPolarHBondContact O-CB 3.37Å; R387-A391 PolarHBondContact O-N 2.96Å; V388-A391 PolarHBondContact O-N 2.65Å; A391-L395 WeakPolarHBondContact O-CG 3.34Å; A391-L395 PolarHBondContact O-N 3.29Å; A391-L395 VanDerWaalsContact O-N 3.09Å
392	R	98.6	Very high	97.7	Very high	158 Å²	158	44.5 Å²	44.5	60%	0.596	23%	0.227	S	C	*	.	H	α-helix	trans	-65.1	-44.6	178.3	-69.5	179.2	178.6	165.6	-0	112	I319 V388 P389 W390 L395 K396	I319-R392 HydrophobicContact CD1-CB 4.48Å; I319-R392 HydrophobicContact CD1-CG 3.39Å; V388-R392 WeakPolarHBondContact O-CG 3.48Å; V388-R392 PolarHBondContact O-N 2.98Å; P389-R392 PolarHBondContact O-N 3.42Å; W390-R392 VanDerWaalsContact C-N 3.33Å; W390-R392 PolarHBondContact O-N 3.35Å; R392-L395 PolarHBondContact O-N 3.22Å; R392-K396 WeakPolarHBondContact O-CB 3.27Å; R392-K396 PolarHBondContact O-N 3.02Å
393	T	98.4	Very high	97.7	Very high	7 Å²	7	45 Å²	45	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-43.9	178.9	-65.8	0	0	0	0	111.3	L382 P389 W390 L395 K396 Y397 F398 V527	L382-T393 HydrophobicContact CD1-CG2 3.72Å; L382-T393 HydrophobicContact CD2-CG2 3.97Å; P389-T393 VanDerWaalsContact O-CB 3.32Å; P389-T393 WeakPolarHBondContact O-CB 3.27Å; P389-T393 PolarHBondContact O-N 3.08Å; P389-T393 PolarHBondContact O-OG1 2.89Å; W390-T393 PolarHBondContact O-N 2.59Å; T393-L395 PolarHBondContact O-N 3.33Å; T393-K396 PolarHBondContact O-N 3.12Å; T393-Y397 HydrophobicContact CG2-CD2 3.95Å; T393-Y397 PolarHBondContact O-N 3.24Å; T393-F398 HydrophobicContact CG2-CD2 4.47Å; T393-F398 HydrophobicContact CG2-CE2 3.97Å; T393-V527 VanDerWaalsContact OG1-CG1 3.31Å; T393-V527 WeakPolarHBondContact OG1-CG1 3.36Å
394	R	98.1	Very high	97.7	Very high	49 Å²	49	48.8 Å²	48.8	19%	0.185	25%	0.246	C	C	.	.	H	α-helix	trans	-55.2	-51.4	174.3	-171.6	179	177.1	-73.6	-3.6	111.1	P317 W390 K396 F398 S399 L407 E411	P317-R394 HydrophobicContact CG-CB 4.49Å; W390-R394 HydrophobicContact CD2-CB 4.46Å; W390-R394 HydrophobicContact CE3-CB 3.97Å; W390-R394 HydrophobicContact CH2-CB 3.92Å; W390-R394 HydrophobicContact CH2-CG 4.03Å; W390-R394 HydrophobicContact CZ2-CB 4.4Å; W390-R394 HydrophobicContact CZ2-CG 4.41Å; W390-R394 HydrophobicContact CZ3-CB 3.68Å; W390-R394 HydrophobicContact CZ3-CG 4.3Å; W390-R394 WeakPolarHBondContact O-CB 3.39Å; W390-R394 PolarHBondContact O-N 3.49Å; R394-K396 PolarHBondContact O-N 3.36Å; R394-F398 HydrophobicContact CG-CB 4.49Å; R394-F398 CarbonylContact O-C 3.53Å; R394-F398 WeakPolarHBondContact O-CA 3.41Å; R394-F398 WeakPolarHBondContact O-CB 3.48Å; R394-F398 PolarHBondContact O-N 2.94Å; R394-S399 PolarHBondContact O-OG 3.33Å; R394-L407 HydrophobicContact CG-CD2 3.79Å; R394-E411 IonicContact CZ-OE1 2.92Å; R394-E411 IonicContact CZ-OE2 3.19Å; R394-E411 IonicContact NE-OE1 3.93Å; R394-E411 PolarHBondContact NE-OE1 3.13Å; R394-E411 IonicContact NE-OE2 2.68Å; R394-E411 VanDerWaalsContact NH2-CD 3.32Å; R394-E411 IonicContact NH2-OE1 3.94Å; R394-E411 PolarHBondContact NH2-OE1 3Å; R394-E411 VanDerWaalsContact NH2-OE1 3.09Å; R394-E411 IonicContact NH2-OE2 2.72Å; R394-E411 PolarHBondContact NH2-OE2 3.43Å
395	L	98	Very high	97.7	Very high	103 Å²	103	55.6 Å²	55.6	54%	0.539	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-44.7	178.8	-72.2	170.1	0	0	0	112.4	A391 R392 T393 S399	A391-L395 WeakPolarHBondContact O-CG 3.34Å; A391-L395 PolarHBondContact O-N 3.29Å; A391-L395 VanDerWaalsContact O-N 3.09Å; R392-L395 PolarHBondContact O-N 3.22Å; T393-L395 PolarHBondContact O-N 3.33Å; L395-S399 WeakPolarHBondContact CA-OG 3.44Å; L395-S399 WeakPolarHBondContact O-CB 3.15Å; L395-S399 PolarHBondContact O-OG 3.3Å
396	K	98.3	Very high	97.8	Very high	154 Å²	154	56 Å²	56	67%	0.67	28%	0.28	S	S	*	.	H	α-helix	trans	-74.8	-42.3	-174.3	-173.3	173.6	177.3	-167.3	0	113.7	R392 T393 R394	R392-K396 WeakPolarHBondContact O-CB 3.27Å; R392-K396 PolarHBondContact O-N 3.02Å; T393-K396 PolarHBondContact O-N 3.12Å; R394-K396 PolarHBondContact O-N 3.36Å
397	Y	98.3	Very high	97.9	Very high	35 Å²	35	53.4 Å²	53.4	14%	0.137	27%	0.266	C	S	.	.	H	α-helix	trans	-113.8	-15	-167.1	-60.4	-73.3	0	0	0	114.6	T393 N403 P521 Q523 C524	T393-Y397 HydrophobicContact CG2-CD2 3.95Å; T393-Y397 PolarHBondContact O-N 3.24Å; Y397-N403 WeakPolarHBondContact O-CB 3.44Å; Y397-N403 PolarHBondContact O-ND2 3.12Å; Y397-P521 HydrophobicContact CD1-CG 3.54Å; Y397-P521 HydrophobicContact CE1-CG 3.5Å; Y397-Q523 WeakPolarHBondContact OH-CB 3.11Å; Y397-C524 HydrophobicContact CD1-CB 3.97Å; Y397-C524 HydrophobicContact CD2-CB 3.79Å; Y397-C524 HydrophobicContact CE1-CB 4.07Å; Y397-C524 HydrophobicContact CE2-CB 3.89Å; Y397-C524 HydrophobicContact CG-CB 3.82Å
398	F	98.2	Very high	97.8	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.022	28%	0.282	C	S	.	.	S	Bend	trans	-119.5	14.6	-174.2	-60.7	-94.4	0	0	0	113.7	L379 L382 W390 T393 R394 N403 K404 L407 W518	L379-F398 HydrophobicContact CD1-CE1 3.86Å; L379-F398 HydrophobicContact CD1-CE2 4.44Å; L379-F398 HydrophobicContact CD1-CZ 3.43Å; L379-F398 VanDerWaalsContact CD1-CZ 3.43Å; L379-F398 HydrophobicContact CD2-CE1 4.37Å; L382-F398 HydrophobicContact CD1-CE2 4.2Å; L382-F398 HydrophobicContact CD1-CZ 4.43Å; W390-F398 HydrophobicContact CZ3-CD2 4.24Å; W390-F398 HydrophobicContact CZ3-CE2 4.33Å; T393-F398 HydrophobicContact CG2-CD2 4.47Å; T393-F398 HydrophobicContact CG2-CE2 3.97Å; R394-F398 HydrophobicContact CG-CB 4.49Å; R394-F398 CarbonylContact O-C 3.53Å; R394-F398 WeakPolarHBondContact O-CA 3.41Å; R394-F398 WeakPolarHBondContact O-CB 3.48Å; R394-F398 PolarHBondContact O-N 2.94Å; F398-N403 HydrophobicContact CD1-CB 3.74Å; F398-N403 HydrophobicContact CE1-CB 4.21Å; F398-N403 HydrophobicContact CG-CB 4.34Å; F398-K404 VanDerWaalsContact O-CA 3.32Å; F398-K404 WeakPolarHBondContact O-CA 3.46Å; F398-K404 WeakPolarHBondContact O-CB 3.38Å; F398-L407 HydrophobicContact CB-CB 4.46Å; F398-L407 HydrophobicContact CB-CD2 3.47Å; F398-L407 VanDerWaalsContact CB-CD2 3.47Å; F398-L407 HydrophobicContact CD1-CB 4.27Å; F398-L407 HydrophobicContact CD1-CD2 4.3Å; F398-L407 HydrophobicContact CG-CD2 4.08Å; F398-W518 HydrophobicContact CD1-CE3 4.37Å; F398-W518 AromaticContact CD1-CZ3 3.84Å; F398-W518 HydrophobicContact CD1-CZ3 3.84Å; F398-W518 AromaticContact CE1-CE3 3.83Å; F398-W518 HydrophobicContact CE1-CE3 3.83Å; F398-W518 AromaticContact CE1-CZ3 3.57Å; F398-W518 HydrophobicContact CE1-CZ3 3.57Å
399	S	96.3	Very high	97.8	Very high	48 Å²	48	55 Å²	55	34%	0.336	28%	0.275	S	S	.	.	S	Bend	trans	-92.7	-9.5	-178.8	-60	0	0	0	0	114.2	R394 L395 K404	R394-S399 PolarHBondContact O-OG 3.33Å; L395-S399 WeakPolarHBondContact CA-OG 3.44Å; L395-S399 WeakPolarHBondContact O-CB 3.15Å; L395-S399 PolarHBondContact O-OG 3.3Å; S399-K404 VanDerWaalsContact O-CD 3.31Å; S399-K404 WeakPolarHBondContact O-CD 3.27Å
400	Q	94.5	Very high	97.9	Very high	163 Å²	163	52.8 Å²	52.8	76%	0.762	26%	0.26	S	S	*	.	S	Bend	trans	-146.5	168.3	-179	-59.2	-176.5	13.5	0	0	111.7	K404	Q400-K404 PolarHBondContact O-N 3.31Å
401	G	96.5	Very high	97.8	Very high	44 Å²	44	53.1 Å²	53.1	45%	0.454	26%	0.262	S	S	.	.	H	α-helix	trans	64.1	-158.9	172.8	0	0	0	0	0	114.5	N403 K404 E405	G401-N403 VanDerWaalsContact C-N 3.27Å; G401-N403 PolarHBondContact O-N 3.14Å; G401-K404 WeakPolarHBondContact O-CB 3.47Å; G401-K404 PolarHBondContact O-N 2.87Å; G401-E405 PolarHBondContact O-N 2.82Å
402	P	96.4	Very high	97.8	Very high	29 Å²	29	53.7 Å²	53.7	19%	0.188	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-30.2	-176.4	23.8	-32.4	0	0	0	113.2	K404 E405 S406 K517 E519	P402-K404 VanDerWaalsContact C-N 3.33Å; P402-K404 PolarHBondContact O-N 3.05Å; P402-E405 PolarHBondContact O-N 3.47Å; P402-S406 WeakPolarHBondContact O-CB 3.29Å; P402-S406 PolarHBondContact O-N 2.68Å; P402-S406 PolarHBondContact O-OG 2.98Å; P402-K517 HydrophobicContact CB-CB 4.41Å; P402-E519 HydrophobicContact CG-CB 4.13Å; P402-E519 HydrophobicContact CG-CG 3.61Å
403	N	98.2	Very high	97.8	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.053	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-42.3	175	-71.4	-15.1	0	0	0	112.1	Y397 F398 G401 L407 W518 E519	Y397-N403 WeakPolarHBondContact O-CB 3.44Å; Y397-N403 PolarHBondContact O-ND2 3.12Å; F398-N403 HydrophobicContact CD1-CB 3.74Å; F398-N403 HydrophobicContact CE1-CB 4.21Å; F398-N403 HydrophobicContact CG-CB 4.34Å; G401-N403 VanDerWaalsContact C-N 3.27Å; G401-N403 PolarHBondContact O-N 3.14Å; N403-L407 WeakPolarHBondContact O-CB 3.45Å; N403-L407 PolarHBondContact O-N 3.32Å; N403-W518 HydrophobicContact CB-CE3 4.44Å; N403-W518 WeakPolarHBondContact OD1-CA 3.45Å; N403-E519 PolarHBondContact ND2-O 2.93Å; N403-E519 PolarHBondContact OD1-N 3.15Å
404	K	98.2	Very high	97.7	Very high	81 Å²	81	45.9 Å²	45.9	35%	0.352	24%	0.236	S	C	.	.	H	α-helix	trans	-64.7	-46.7	177.3	-171.9	-160.9	-177.5	-68.9	0	111	F398 S399 Q400 G401 P402 S406 L407 D408	F398-K404 VanDerWaalsContact O-CA 3.32Å; F398-K404 WeakPolarHBondContact O-CA 3.46Å; F398-K404 WeakPolarHBondContact O-CB 3.38Å; S399-K404 VanDerWaalsContact O-CD 3.31Å; S399-K404 WeakPolarHBondContact O-CD 3.27Å; Q400-K404 PolarHBondContact O-N 3.31Å; G401-K404 WeakPolarHBondContact O-CB 3.47Å; G401-K404 PolarHBondContact O-N 2.87Å; P402-K404 VanDerWaalsContact C-N 3.33Å; P402-K404 PolarHBondContact O-N 3.05Å; K404-S406 VanDerWaalsContact C-N 3.34Å; K404-S406 PolarHBondContact O-N 2.92Å; K404-L407 PolarHBondContact O-N 3.01Å; K404-D408 IonicContact NZ-OD1 3.94Å; K404-D408 IonicContact NZ-OD2 2.63Å; K404-D408 PolarHBondContact NZ-OD2 3.31Å; K404-D408 VanDerWaalsContact O-CB 3.27Å; K404-D408 WeakPolarHBondContact O-CB 3.46Å; K404-D408 PolarHBondContact O-N 3.09Å
405	E	98	Very high	97.7	Very high	143 Å²	143	43.5 Å²	43.5	67%	0.668	23%	0.227	S	C	*	.	H	α-helix	trans	-60.6	-44.6	179.7	-65.3	-176.8	170.1	0	0	111.7	G401 P402 A409	G401-E405 PolarHBondContact O-N 2.82Å; P402-E405 PolarHBondContact O-N 3.47Å; E405-A409 PolarHBondContact O-N 2.89Å
406	S	98.6	Very high	97.8	Very high	7 Å²	7	38.6 Å²	38.6	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-68.5	-40.3	177.3	-67.2	0	0	0	0	112.7	P402 K404 A409 I410 K517 W518	P402-S406 WeakPolarHBondContact O-CB 3.29Å; P402-S406 PolarHBondContact O-N 2.68Å; P402-S406 PolarHBondContact O-OG 2.98Å; K404-S406 VanDerWaalsContact C-N 3.34Å; K404-S406 PolarHBondContact O-N 2.92Å; S406-A409 WeakPolarHBondContact O-CB 3.05Å; S406-A409 PolarHBondContact O-N 2.84Å; S406-I410 PolarHBondContact O-N 2.81Å; S406-I410 VanDerWaalsContact O-N 3.17Å; S406-K517 WeakPolarHBondContact CB-O 3.16Å; S406-K517 PolarHBondContact OG-N 3.11Å; S406-K517 VanDerWaalsContact OG-N 3.09Å; S406-K517 PolarHBondContact OG-O 3.2Å; S406-W518 VanDerWaalsContact CB-CH2 3.41Å
407	L	98.6	Very high	97.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-43.9	174.9	-178.7	62.9	0	0	0	111.3	W390 R394 F398 N403 K404 A409 I410 E411 W450	W390-L407 HydrophobicContact CH2-CD1 4.32Å; W390-L407 HydrophobicContact CH2-CD2 4.39Å; R394-L407 HydrophobicContact CG-CD2 3.79Å; F398-L407 HydrophobicContact CB-CB 4.46Å; F398-L407 HydrophobicContact CB-CD2 3.47Å; F398-L407 VanDerWaalsContact CB-CD2 3.47Å; F398-L407 HydrophobicContact CD1-CB 4.27Å; F398-L407 HydrophobicContact CD1-CD2 4.3Å; F398-L407 HydrophobicContact CG-CD2 4.08Å; N403-L407 WeakPolarHBondContact O-CB 3.45Å; N403-L407 PolarHBondContact O-N 3.32Å; K404-L407 PolarHBondContact O-N 3.01Å; L407-A409 PolarHBondContact O-N 3.11Å; L407-I410 PolarHBondContact O-N 3.4Å; L407-E411 HydrophobicContact CD1-CG 3.98Å; L407-E411 HydrophobicContact CG-CG 4.12Å; L407-E411 WeakPolarHBondContact O-CG 3.29Å; L407-E411 PolarHBondContact O-N 3.41Å; L407-W450 HydrophobicContact CD1-CH2 3.78Å; L407-W450 HydrophobicContact CD1-CZ2 3.42Å; L407-W450 VanDerWaalsContact CD1-CZ2 3.42Å
408	D	98	Very high	97.8	Very high	61 Å²	61	29.7 Å²	29.7	33%	0.326	16%	0.163	S	C	.	.	H	α-helix	trans	-58.2	-38.1	174.6	-76	-17.9	0	0	0	110.7	K404 S412	K404-D408 IonicContact NZ-OD1 3.94Å; K404-D408 IonicContact NZ-OD2 2.63Å; K404-D408 PolarHBondContact NZ-OD2 3.31Å; K404-D408 VanDerWaalsContact O-CB 3.27Å; K404-D408 WeakPolarHBondContact O-CB 3.46Å; K404-D408 PolarHBondContact O-N 3.09Å; D408-S412 WeakPolarHBondContact O-CB 3.35Å; D408-S412 PolarHBondContact O-N 2.78Å; D408-S412 PolarHBondContact O-OG 3.33Å
409	A	98.4	Very high	97.9	Very high	8 Å²	8	29.5 Å²	29.5	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-41.5	174.8	0	0	0	0	0	111.7	H332 E405 S406 L407 A413 L516	H332-A409 PolarHBondContact NE2-O 3.5Å; E405-A409 PolarHBondContact O-N 2.89Å; S406-A409 WeakPolarHBondContact O-CB 3.05Å; S406-A409 PolarHBondContact O-N 2.84Å; L407-A409 PolarHBondContact O-N 3.11Å; A409-A413 WeakPolarHBondContact O-CB 3.27Å; A409-A413 PolarHBondContact O-N 3.39Å; A409-A413 VanDerWaalsContact O-N 3.13Å; A409-L516 HydrophobicContact CB-CD1 4.37Å; A409-L516 HydrophobicContact CB-CD2 4.06Å
410	I	98.6	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.4	-51.5	175.9	-64.9	172.5	0	0	0	111.4	V334 Y341 S406 L407 S412 A413 F416 W450 K453 L516 W518	V334-I410 HydrophobicContact CB-CG1 4.38Å; V334-I410 HydrophobicContact CG1-CG1 4.05Å; V334-I410 HydrophobicContact CG2-CG1 4.09Å; Y341-I410 HydrophobicContact CD1-CD1 3.84Å; Y341-I410 HydrophobicContact CE1-CD1 4.1Å; S406-I410 PolarHBondContact O-N 2.81Å; S406-I410 VanDerWaalsContact O-N 3.17Å; L407-I410 PolarHBondContact O-N 3.4Å; I410-S412 VanDerWaalsContact C-N 3.28Å; I410-S412 PolarHBondContact O-N 3.44Å; I410-A413 VanDerWaalsContact O-CB 3.24Å; I410-A413 WeakPolarHBondContact O-CB 3.2Å; I410-A413 PolarHBondContact O-N 3.06Å; I410-A413 VanDerWaalsContact O-N 3.15Å; I410-F416 HydrophobicContact CG2-CD2 4.26Å; I410-F416 HydrophobicContact CG2-CE2 4.28Å; I410-W450 HydrophobicContact CD1-CE3 4.05Å; I410-W450 HydrophobicContact CD1-CH2 4.04Å; I410-W450 HydrophobicContact CD1-CZ3 3.77Å; I410-W450 HydrophobicContact CG2-CD2 3.51Å; I410-W450 HydrophobicContact CG2-CE3 4.06Å; I410-W450 HydrophobicContact CG2-CG 3.7Å; I410-W450 HydrophobicContact CG2-CZ2 4.09Å; I410-K453 PolarHBondContact O-NZ 3.33Å; I410-L516 HydrophobicContact CD1-CD1 4.3Å; I410-L516 HydrophobicContact CG1-CD1 3.99Å; I410-W518 HydrophobicContact CD1-CH2 3.85Å; I410-W518 HydrophobicContact CD1-CZ2 3.86Å
411	E	97.9	Very high	98.1	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-33.5	-175.5	-68.4	-178.2	166.7	0	0	111.5	T314 I316 R394 L407 K453	T314-E411 HydrophobicContact CG2-CB 4.45Å; T314-E411 HydrophobicContact CG2-CG 4.23Å; T314-E411 PolarHBondContact OG1-O 2.97Å; I316-E411 HydrophobicContact CD1-CB 4.45Å; I316-E411 HydrophobicContact CD1-CG 4.08Å; R394-E411 IonicContact CZ-OE1 2.92Å; R394-E411 IonicContact CZ-OE2 3.19Å; R394-E411 IonicContact NE-OE1 3.93Å; R394-E411 PolarHBondContact NE-OE1 3.13Å; R394-E411 IonicContact NE-OE2 2.68Å; R394-E411 VanDerWaalsContact NH2-CD 3.32Å; R394-E411 IonicContact NH2-OE1 3.94Å; R394-E411 PolarHBondContact NH2-OE1 3Å; R394-E411 VanDerWaalsContact NH2-OE1 3.09Å; R394-E411 IonicContact NH2-OE2 2.72Å; R394-E411 PolarHBondContact NH2-OE2 3.43Å; L407-E411 HydrophobicContact CD1-CG 3.98Å; L407-E411 HydrophobicContact CG-CG 4.12Å; L407-E411 WeakPolarHBondContact O-CG 3.29Å; L407-E411 PolarHBondContact O-N 3.41Å; E411-K453 PolarHBondContact O-NZ 3.01Å
412	S	97.6	Very high	98.1	Very high	14 Å²	14	26 Å²	26	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-89	-5.7	176.3	71.5	0	0	0	0	115.3	R330 H332 D408 I410	R330-S412 VanDerWaalsContact CB-O 3.22Å; R330-S412 WeakPolarHBondContact CB-O 3.38Å; R330-S412 WeakPolarHBondContact CG-O 3.49Å; H332-S412 PolarHBondContact CE1-OG 2.92Å; H332-S412 VanDerWaalsContact CE1-OG 3.28Å; D408-S412 WeakPolarHBondContact O-CB 3.35Å; D408-S412 PolarHBondContact O-N 2.78Å; D408-S412 PolarHBondContact O-OG 3.33Å; I410-S412 VanDerWaalsContact C-N 3.28Å; I410-S412 PolarHBondContact O-N 3.44Å
413	A	98.2	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-56.2	153.1	177.2	0	0	0	0	0	112.2	N312 V334 A409 I410 F415 K453	N312-A413 WeakPolarHBondContact CA-O 3.36Å; V334-A413 HydrophobicContact CB-CB 4.45Å; V334-A413 HydrophobicContact CG2-CB 4.09Å; A409-A413 WeakPolarHBondContact O-CB 3.27Å; A409-A413 PolarHBondContact O-N 3.39Å; A409-A413 VanDerWaalsContact O-N 3.13Å; I410-A413 VanDerWaalsContact O-CB 3.24Å; I410-A413 WeakPolarHBondContact O-CB 3.2Å; I410-A413 PolarHBondContact O-N 3.06Å; I410-A413 VanDerWaalsContact O-N 3.15Å; A413-F415 VanDerWaalsContact C-N 3.29Å; A413-F415 PolarHBondContact O-N 2.64Å; A413-K453 WeakPolarHBondContact O-CE 3.36Å; A413-K453 PolarHBondContact O-NZ 3.28Å
414	S	97.5	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-63.4	-39.8	176.9	-51.8	0	0	0	0	112.1	R283 F311 N312 H332	R283-S414 VanDerWaalsContact NH1-CB 3.29Å; R283-S414 PolarHBondContact NH1-OG 3.13Å; F311-S414 WeakPolarHBondContact CA-O 3.04Å; N312-S414 PolarHBondContact N-O 3.06Å; N312-S414 VanDerWaalsContact OD1-CA 3.26Å; N312-S414 WeakPolarHBondContact OD1-CA 3.31Å; H332-S414 WeakPolarHBondContact O-CB 3.4Å; H332-S414 PolarHBondContact O-N 3Å; H332-S414 PolarHBondContact O-OG 2.92Å
415	F	98.4	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-167	174.8	172.4	54.9	-86.7	0	0	0	107.3	V276 M279 F311 L333 A413 F455 L457	V276-F415 HydrophobicContact CB-CZ 4.44Å; V276-F415 HydrophobicContact CG1-CZ 4.08Å; V276-F415 HydrophobicContact CG2-CE2 4.13Å; V276-F415 HydrophobicContact CG2-CZ 4Å; M279-F415 HydrophobicContact SD-CD2 4.49Å; M279-F415 HydrophobicContact SD-CE1 4.26Å; M279-F415 HydrophobicContact SD-CE2 4Å; M279-F415 HydrophobicContact SD-CZ 3.86Å; F311-F415 AromaticContact CD1-CD1 3.92Å; F311-F415 HydrophobicContact CD1-CD1 3.92Å; F311-F415 HydrophobicContact CD1-CE1 4.49Å; F311-F415 HydrophobicContact CE1-CD1 4.07Å; F311-F415 HydrophobicContact CE1-CE1 4.33Å; L333-F415 WeakPolarHBondContact CB-O 3.3Å; L333-F415 HydrophobicContact CD2-CE1 4.38Å; L333-F415 HydrophobicContact CD2-CE2 3.81Å; L333-F415 HydrophobicContact CD2-CZ 3.66Å; A413-F415 VanDerWaalsContact C-N 3.29Å; A413-F415 PolarHBondContact O-N 2.64Å; F415-F455 HydrophobicContact CB-CD1 4.29Å; F415-F455 HydrophobicContact CB-CD2 3.98Å; F415-F455 HydrophobicContact CB-CE1 3.76Å; F415-F455 HydrophobicContact CB-CE2 3.41Å; F415-F455 VanDerWaalsContact CB-CE2 3.41Å; F415-F455 HydrophobicContact CB-CG 4.4Å; F415-F455 HydrophobicContact CB-CZ 3.3Å; F415-F455 HydrophobicContact CD1-CE2 4.2Å; F415-F455 AromaticContact CD1-CZ 3.77Å; F415-F455 HydrophobicContact CD1-CZ 3.77Å; F415-F455 AromaticContact CD2-CE2 3.78Å; F415-F455 HydrophobicContact CD2-CE2 3.78Å; F415-F455 HydrophobicContact CD2-CZ 4.19Å; F415-F455 HydrophobicContact CG-CD2 4.49Å; F415-F455 HydrophobicContact CG-CE1 4.41Å; F415-F455 AromaticContact CG-CE2 3.55Å; F415-F455 HydrophobicContact CG-CE2 3.55Å; F415-F455 AromaticContact CG-CZ 3.51Å; F415-F455 HydrophobicContact CG-CZ 3.51Å; F415-L457 HydrophobicContact CD2-CB 4.34Å; F415-L457 HydrophobicContact CE2-CB 4.39Å; F415-L457 HydrophobicContact CE2-CD2 4.14Å
416	F	98.8	Very high	97.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.2	179.2	-163.3	-94.9	0	0	0	109.9	V334 F336 Y341 I410 W450 K453 F455 N456 L457	V334-F416 HydrophobicContact CB-CD2 4.13Å; V334-F416 HydrophobicContact CB-CE2 4.23Å; V334-F416 HydrophobicContact CG1-CD2 4.19Å; V334-F416 HydrophobicContact CG1-CE2 3.78Å; F336-F416 HydrophobicContact CB-CE1 3.58Å; F336-F416 HydrophobicContact CB-CZ 3.62Å; F336-F416 HydrophobicContact CG-CZ 4.48Å; Y341-F416 HydrophobicContact CD1-CE2 4.01Å; Y341-F416 AromaticContact CD1-CZ 3.94Å; Y341-F416 HydrophobicContact CD1-CZ 3.94Å; Y341-F416 HydrophobicContact CE1-CE2 4.08Å; Y341-F416 AromaticContact CE1-CZ 3.75Å; Y341-F416 HydrophobicContact CE1-CZ 3.75Å; I410-F416 HydrophobicContact CG2-CD2 4.26Å; I410-F416 HydrophobicContact CG2-CE2 4.28Å; F416-W450 HydrophobicContact CB-CB 4.5Å; F416-W450 HydrophobicContact CD1-CB 4.21Å; F416-W450 HydrophobicContact CD2-CB 3.77Å; F416-W450 HydrophobicContact CD2-CG 4.49Å; F416-W450 HydrophobicContact CE1-CB 4.32Å; F416-W450 HydrophobicContact CE2-CB 3.89Å; F416-W450 HydrophobicContact CG-CB 3.92Å; F416-W450 HydrophobicContact CZ-CB 4.15Å; F416-K453 HydrophobicContact CB-CB 4.24Å; F416-K453 HydrophobicContact CB-CG 4.01Å; F416-F455 PolarHBondContact N-O 2.88Å; F416-N456 WeakPolarHBondContact CB-OD1 3.16Å; F416-N456 WeakPolarHBondContact CD1-OD1 3.42Å; F416-N456 CarbonylContact O-C 3.56Å; F416-N456 WeakPolarHBondContact O-CA 3.21Å; F416-L457 PolarHBondContact O-N 2.91Å
417	L	98.9	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130	175.9	171.3	60.4	0	0	0	109.4	A272 V276 L333 V334 V335 F336 F362 L419 L457	A272-L417 HydrophobicContact CB-CD2 4.45Å; V276-L417 HydrophobicContact CG2-CD2 4.43Å; L333-L417 HydrophobicContact CD1-CB 4.08Å; V334-L417 PolarHBondContact O-N 2.82Å; V335-L417 CarbonylContact C-O 3.58Å; V335-L417 VanDerWaalsContact CA-O 3.25Å; V335-L417 WeakPolarHBondContact CA-O 3.42Å; V335-L417 HydrophobicContact CG1-CD2 4.33Å; V335-L417 HydrophobicContact CG1-CG 4.28Å; V335-L417 HydrophobicContact CG2-CB 4.36Å; V335-L417 HydrophobicContact CG2-CD2 4.11Å; F336-L417 PolarHBondContact N-O 2.68Å; F362-L417 HydrophobicContact CD1-CD2 4.02Å; F362-L417 HydrophobicContact CE1-CD2 3.58Å; F362-L417 HydrophobicContact CE2-CD2 4.16Å; F362-L417 HydrophobicContact CZ-CD2 3.67Å; L417-L419 HydrophobicContact CD1-CD2 4.29Å; L417-L419 HydrophobicContact CD2-CD2 4.1Å; L417-L419 HydrophobicContact CG-CD2 4.2Å; L417-L457 CarbonylContact C-O 3.57Å; L417-L457 WeakPolarHBondContact CA-O 3.2Å; L417-L457 HydrophobicContact CD1-CB 4.13Å; L417-L457 HydrophobicContact CD1-CD2 3.94Å; L417-L457 HydrophobicContact CD1-CG 3.81Å; L417-L457 WeakPolarHBondContact CD1-O 3.36Å
418	T	98.8	Very high	97.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123	167.3	-52.4	0	0	0	0	109.9	F336 D448 L457 S459	F336-T418 HydrophobicContact CD1-CG2 3.9Å; T418-D448 WeakPolarHBondContact CG2-O 3.48Å; T418-D448 PolarHBondContact OG1-O 3.47Å; T418-L457 PolarHBondContact N-O 3.46Å; T418-S459 PolarHBondContact O-N 2.9Å
419	L	98.8	Very high	96.9	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	93.7	164.8	-58.4	178.9	0	0	0	107.3	A272 V335 F336 H337 F362 I365 L366 L417	A272-L419 HydrophobicContact CB-CD2 4.26Å; V335-L419 HydrophobicContact CG1-CD1 3.75Å; V335-L419 HydrophobicContact CG1-CG 3.75Å; F336-L419 PolarHBondContact O-N 3.03Å; H337-L419 HydrophobicContact CB-CB 4.19Å; H337-L419 PolarHBondContact ND1-O 2.9Å; F362-L419 HydrophobicContact CB-CD1 4.23Å; I365-L419 HydrophobicContact CB-CD1 4.39Å; I365-L419 HydrophobicContact CG2-CD1 4.15Å; L366-L419 HydrophobicContact CD2-CB 3.97Å; L366-L419 HydrophobicContact CD2-CD1 3.89Å; L366-L419 HydrophobicContact CD2-CG 4.5Å; L366-L419 HydrophobicContact CG-CD1 4.01Å; L417-L419 HydrophobicContact CD1-CD2 4.29Å; L417-L419 HydrophobicContact CD2-CD2 4.1Å; L417-L419 HydrophobicContact CG-CD2 4.2Å
420	D	98.3	Very high	96.7	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	20%	0.2	C	C	.	.			trans	-72.7	163.6	-177.3	-147.5	-59.2	0	0	0	111.1	Q268 E422 R449 I458 S459 Y460	Q268-D420 PolarHBondContact NE2-O 3.44Å; D420-E422 PolarHBondContact OD1-N 3.49Å; D420-R449 IonicContact OD2-CZ 3.62Å; D420-R449 IonicContact OD2-NH1 3.61Å; D420-R449 PolarHBondContact OD2-NH1 3.35Å; D420-R449 IonicContact OD2-NH2 3.82Å; D420-R449 PolarHBondContact OD2-NH2 3.45Å; D420-I458 HydrophobicContact CB-CG2 4.22Å; D420-S459 WeakPolarHBondContact CB-O 3.36Å; D420-S459 PolarHBondContact N-O 3.19Å; D420-Y460 HydrophobicContact CB-CD1 3.75Å; D420-Y460 HydrophobicContact CB-CE1 4Å
421	E	96.4	Very high	96.1	Very high	80 Å²	80	43.5 Å²	43.5	37%	0.374	23%	0.233	S	C	.	.	S	Bend	trans	-110	-15.2	-175.6	-62.3	177.5	81.1	0	0	112.3	R338	R338-E421 HydrophobicContact CG-CG 4.16Å; R338-E421 WeakPolarHBondContact CG-OE1 3.02Å; R338-E421 VanDerWaalsContact CG-OE2 3.31Å; R338-E421 WeakPolarHBondContact CG-OE2 3.27Å; R338-E421 IonicContact CZ-OE1 2.7Å; R338-E421 IonicContact NE-OE1 3.66Å; R338-E421 PolarHBondContact NE-OE1 3.19Å; R338-E421 IonicContact NH2-OE1 3.69Å
422	E	96.9	Very high	96	Very high	94 Å²	94	49.7 Å²	49.7	44%	0.439	26%	0.256	S	S	.	.	S	Bend	trans	-110.1	123.8	-175.3	-72.2	163.5	-143.7	0	0	109.9	D420 K445 Y460	D420-E422 PolarHBondContact OD1-N 3.49Å; E422-K445 WeakPolarHBondContact OE1-CE 3.12Å; E422-K445 IonicContact OE1-NZ 3.33Å; E422-K445 PolarHBondContact OE1-NZ 2.79Å; E422-Y460 WeakPolarHBondContact O-CD1 3.3Å
423	P	97.1	Very high	95.9	Very high	81 Å²	81	49.3 Å²	49.3	53%	0.526	25%	0.254	S	S	.	.			trans	-64.1	139.7	178.9	27.7	-33.7	0	0	0	110.5	P461 N462	P423-P461 HydrophobicContact CB-CG 4.09Å; P423-N462 HydrophobicContact CB-CB 4.03Å
424	Q	97.1	Very high	95.9	Very high	26 Å²	26	49.6 Å²	49.6	12%	0.121	26%	0.255	C	S	.	.			trans	-136.3	162	174.2	-62.4	-64.3	-22	0	0	109.5	T436 Y437 Y460 N462 K464	Q424-T436 PolarHBondContact OE1-OG1 2.82Å; Q424-Y437 HydrophobicContact CB-CD2 3.57Å; Q424-Y437 HydrophobicContact CB-CE2 4.28Å; Q424-Y437 HydrophobicContact CB-CG 4.11Å; Q424-Y437 HydrophobicContact CG-CD2 4.49Å; Q424-Y460 HydrophobicContact CB-CD1 3.88Å; Q424-Y460 HydrophobicContact CB-CD2 4.18Å; Q424-Y460 HydrophobicContact CB-CE1 3.73Å; Q424-Y460 HydrophobicContact CB-CE2 4.1Å; Q424-Y460 HydrophobicContact CB-CG 4.06Å; Q424-Y460 HydrophobicContact CG-CD1 3.74Å; Q424-Y460 HydrophobicContact CG-CE1 3.36Å; Q424-Y460 HydrophobicContact CG-CG 4.42Å; Q424-N462 PolarHBondContact O-ND2 2.64Å; Q424-N462 PolarHBondContact O-OD1 3.21Å; Q424-K464 VanDerWaalsContact O-CB 3.26Å; Q424-K464 WeakPolarHBondContact O-CB 3.43Å; Q424-K464 VanDerWaalsContact O-CG 3.24Å; Q424-K464 WeakPolarHBondContact O-CG 3.28Å
425	G	95.4	Very high	95.8	Very high	9 Å²	9	50 Å²	50	9%	0.093	26%	0.258	C	S	.	.	S	Bend	trans	150.7	175.4	176.7	0	0	0	0	0	113	D427 S433	G425-D427 PolarHBondContact O-N 2.81Å; G425-S433 VanDerWaalsContact O-CB 3.32Å; G425-S433 WeakPolarHBondContact O-CB 3.13Å; G425-S433 PolarHBondContact O-OG 2.98Å
426	Y	95.1	Very high	95.8	Very high	67 Å²	67	53 Å²	53	26%	0.263	28%	0.276	S	S	.	.			trans	-71.5	127.3	168.7	179.8	-116.4	0	0	0	110.7	L260 Y261 P428 S433 L434 L548	L260-Y426 HydrophobicContact CD1-CD1 3.93Å; L260-Y426 HydrophobicContact CD1-CD2 4.09Å; L260-Y426 HydrophobicContact CD1-CG 3.58Å; L260-Y426 HydrophobicContact CG-CD1 4.01Å; L260-Y426 HydrophobicContact CG-CG 4.18Å; Y261-Y426 HydrophobicContact CD1-CD1 4.03Å; Y261-Y426 AromaticContact CD1-CE1 3.92Å; Y261-Y426 HydrophobicContact CD1-CE1 3.92Å; Y261-Y426 HydrophobicContact CE1-CD1 4.05Å; Y261-Y426 AromaticContact CE1-CE1 3.61Å; Y261-Y426 HydrophobicContact CE1-CE1 3.61Å; Y426-P428 HydrophobicContact CE1-CB 4.27Å; Y426-S433 WeakPolarHBondContact CA-OG 3.49Å; Y426-L434 HydrophobicContact CD2-CD1 3.98Å; Y426-L434 HydrophobicContact CD2-CD2 3.84Å; Y426-L434 HydrophobicContact CD2-CG 3.79Å; Y426-L434 HydrophobicContact CE2-CD1 4.35Å; Y426-L434 HydrophobicContact CG-CD2 4.29Å; Y426-L548 HydrophobicContact CD2-CD1 4.01Å; Y426-L548 HydrophobicContact CE1-CD1 4.17Å; Y426-L548 HydrophobicContact CE2-CD1 3.36Å; Y426-L548 HydrophobicContact CE2-CG 4.48Å; Y426-L548 VanDerWaalsContact CZ-CD1 3.45Å
427	D	94	Very high	95.8	Very high	66 Å²	66	53.2 Å²	53.2	35%	0.353	28%	0.277	S	S	.	.			trans	-131.7	113.3	174.7	178.7	-0.2	0	0	0	107.6	G425 E429 N430 S433	G425-D427 PolarHBondContact O-N 2.81Å; D427-E429 PolarHBondContact O-N 3.07Å; D427-E429 WeakPolarHBondContact OD1-CB 3.31Å; D427-E429 PolarHBondContact OD1-N 3.24Å; D427-N430 HydrophobicContact CB-CB 4.3Å; D427-N430 CarbonylContact O-C 3.56Å; D427-N430 PolarHBondContact O-N 2.9Å; D427-S433 PolarHBondContact N-OG 3.2Å
428	P	90	Very high	95.7	Very high	98 Å²	98	53.3 Å²	53.3	64%	0.636	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.3	-179.6	28.5	-35.4	0	0	0	113.5	Y426	Y426-P428 HydrophobicContact CE1-CB 4.27Å
429	E	92.9	Very high	95.7	Very high	180 Å²	180	55.8 Å²	55.8	84%	0.841	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-19.4	178.3	-58.6	-172.4	159.9	0	0	112.2	D427	D427-E429 PolarHBondContact O-N 3.07Å; D427-E429 WeakPolarHBondContact OD1-CB 3.31Å; D427-E429 PolarHBondContact OD1-N 3.24Å
430	N	93.6	Very high	95.6	Very high	68 Å²	68	56.3 Å²	56.3	36%	0.364	29%	0.292	S	S	.	.			trans	-116.7	103.5	177.9	178.7	4	0	0	0	111.2	D427 Y432 S433	D427-N430 HydrophobicContact CB-CB 4.3Å; D427-N430 CarbonylContact O-C 3.56Å; D427-N430 PolarHBondContact O-N 2.9Å; N430-Y432 PolarHBondContact O-N 2.8Å; N430-Y432 PolarHBondContact OD1-N 2.91Å; N430-S433 VanDerWaalsContact O-CB 3.3Å; N430-S433 WeakPolarHBondContact O-CB 3.31Å; N430-S433 PolarHBondContact O-N 2.88Å
431	V	87.3	Confident	95.6	Very high	113 Å²	113	56 Å²	56	69%	0.685	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24	-177.9	-165.9	0	0	0	0	113.1
432	Y	94.1	Very high	95.7	Very high	137 Å²	137	52.2 Å²	52.2	54%	0.537	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	3.8	179.9	-61.8	-74.1	0	0	0	113.7	N430 L434 D435 T436	N430-Y432 PolarHBondContact O-N 2.8Å; N430-Y432 PolarHBondContact OD1-N 2.91Å; Y432-L434 VanDerWaalsContact C-N 3.28Å; Y432-L434 PolarHBondContact O-N 3.15Å; Y432-D435 WeakPolarHBondContact CD1-OD2 3.41Å; Y432-D435 WeakPolarHBondContact O-CA 3.36Å; Y432-D435 WeakPolarHBondContact O-CB 3.21Å; Y432-D435 PolarHBondContact O-N 2.65Å; Y432-T436 PolarHBondContact O-N 3.21Å
433	S	96.7	Very high	95.8	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-33	-173.8	94.9	0	0	0	0	112.7	G425 Y426 D427 N430 D435 T436 Y437	G425-S433 VanDerWaalsContact O-CB 3.32Å; G425-S433 WeakPolarHBondContact O-CB 3.13Å; G425-S433 PolarHBondContact O-OG 2.98Å; Y426-S433 WeakPolarHBondContact CA-OG 3.49Å; D427-S433 PolarHBondContact N-OG 3.2Å; N430-S433 VanDerWaalsContact O-CB 3.3Å; N430-S433 WeakPolarHBondContact O-CB 3.31Å; N430-S433 PolarHBondContact O-N 2.88Å; S433-D435 VanDerWaalsContact C-N 3.28Å; S433-T436 PolarHBondContact O-OG1 2.86Å; S433-T436 VanDerWaalsContact O-OG1 3.1Å; S433-Y437 WeakPolarHBondContact O-CB 3.41Å; S433-Y437 PolarHBondContact O-N 3Å; S433-Y437 VanDerWaalsContact O-N 3.08Å
434	L	96.9	Very high	95.8	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-69.7	-29.2	173.8	-68.2	178.7	0	0	0	111.9	M257 L260 Y426 Y432 Y437 A438 L548	M257-L434 HydrophobicContact CE-CD2 4.48Å; M257-L434 WeakPolarHBondContact CE-O 3.31Å; M257-L434 HydrophobicContact SD-CD2 4.14Å; L260-L434 HydrophobicContact CD1-CD2 4.26Å; Y426-L434 HydrophobicContact CD2-CD1 3.98Å; Y426-L434 HydrophobicContact CD2-CD2 3.84Å; Y426-L434 HydrophobicContact CD2-CG 3.79Å; Y426-L434 HydrophobicContact CE2-CD1 4.35Å; Y426-L434 HydrophobicContact CG-CD2 4.29Å; Y432-L434 VanDerWaalsContact C-N 3.28Å; Y432-L434 PolarHBondContact O-N 3.15Å; L434-Y437 HydrophobicContact CD2-CD1 4.46Å; L434-A438 WeakPolarHBondContact O-CB 3.46Å; L434-A438 PolarHBondContact O-N 3.42Å; L434-L548 HydrophobicContact CD1-CD1 4.27Å; L434-L548 HydrophobicContact CD1-CD2 4.02Å; L434-L548 HydrophobicContact CD1-CG 3.86Å
435	D	97.3	Very high	95.8	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-73.8	-47.1	-177.4	-55.9	1.7	0	0	0	109.1	Y432 S433 Y437 A438 K439 F544 H545 G546	Y432-D435 WeakPolarHBondContact CD1-OD2 3.41Å; Y432-D435 WeakPolarHBondContact O-CA 3.36Å; Y432-D435 WeakPolarHBondContact O-CB 3.21Å; Y432-D435 PolarHBondContact O-N 2.65Å; S433-D435 VanDerWaalsContact C-N 3.28Å; D435-Y437 VanDerWaalsContact C-N 3.32Å; D435-Y437 PolarHBondContact O-N 3.35Å; D435-A438 PolarHBondContact O-N 2.91Å; D435-K439 WeakPolarHBondContact O-CB 3.47Å; D435-K439 WeakPolarHBondContact O-CG 3.03Å; D435-K439 PolarHBondContact O-N 3.43Å; D435-F544 WeakPolarHBondContact CB-O 3.23Å; D435-H545 VanDerWaalsContact OD1-CA 3.25Å; D435-H545 WeakPolarHBondContact OD1-CA 3.33Å; D435-H545 IonicContact OD1-ND1 3.99Å; D435-H545 IonicContact OD2-CE1 2.88Å; D435-H545 IonicContact OD2-CG 2.7Å; D435-H545 IonicContact OD2-ND1 3.05Å; D435-H545 PolarHBondContact OD2-ND1 3.49Å; D435-G546 PolarHBondContact OD1-N 2.7Å
436	T	97.4	Very high	96	Very high	63 Å²	63	45.4 Å²	45.4	39%	0.387	24%	0.235	S	C	.	.	H	α-helix	trans	-64.6	-38.5	174.7	62.4	0	0	0	0	111.7	Q424 Y432 S433 K439 S440	Q424-T436 PolarHBondContact OE1-OG1 2.82Å; Y432-T436 PolarHBondContact O-N 3.21Å; S433-T436 PolarHBondContact O-OG1 2.86Å; S433-T436 VanDerWaalsContact O-OG1 3.1Å; T436-K439 PolarHBondContact O-N 3.16Å; T436-S440 WeakPolarHBondContact O-CB 3.28Å; T436-S440 PolarHBondContact O-N 3.2Å
437	Y	98.1	Very high	96.1	Very high	5 Å²	5	44 Å²	44	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-42.5	177.5	-177.6	-155.1	0	0	0	112.1	M257 D258 Q424 S433 L434 D435 S440 L441 Y460 M465	M257-Y437 HydrophobicContact CB-CE1 3.8Å; M257-Y437 HydrophobicContact CE-CD1 3.62Å; M257-Y437 HydrophobicContact CE-CE1 4.23Å; M257-Y437 HydrophobicContact CE-CG 3.93Å; M257-Y437 HydrophobicContact CG-CD1 3.95Å; M257-Y437 HydrophobicContact CG-CE1 3.55Å; M257-Y437 HydrophobicContact SD-CD1 3.6Å; M257-Y437 VanDerWaalsContact SD-CD1 3.6Å; M257-Y437 HydrophobicContact SD-CE1 3.68Å; M257-Y437 HydrophobicContact SD-CG 4.44Å; D258-Y437 WeakPolarHBondContact CB-OH 3.3Å; D258-Y437 PolarHBondContact N-OH 3.16Å; Q424-Y437 HydrophobicContact CB-CD2 3.57Å; Q424-Y437 HydrophobicContact CB-CE2 4.28Å; Q424-Y437 HydrophobicContact CB-CG 4.11Å; Q424-Y437 HydrophobicContact CG-CD2 4.49Å; S433-Y437 WeakPolarHBondContact O-CB 3.41Å; S433-Y437 PolarHBondContact O-N 3Å; S433-Y437 VanDerWaalsContact O-N 3.08Å; L434-Y437 HydrophobicContact CD2-CD1 4.46Å; D435-Y437 VanDerWaalsContact C-N 3.32Å; D435-Y437 PolarHBondContact O-N 3.35Å; Y437-S440 PolarHBondContact O-N 2.88Å; Y437-L441 HydrophobicContact CD2-CD1 3.9Å; Y437-L441 HydrophobicContact CD2-CG 3.94Å; Y437-L441 HydrophobicContact CE2-CD1 3.49Å; Y437-L441 VanDerWaalsContact CE2-CD1 3.49Å; Y437-L441 HydrophobicContact CE2-CD2 4.16Å; Y437-L441 HydrophobicContact CE2-CG 3.77Å; Y437-L441 WeakPolarHBondContact O-CG 3.32Å; Y437-L441 PolarHBondContact O-N 3.18Å; Y437-Y460 HydrophobicContact CD2-CE2 4.1Å; Y437-Y460 HydrophobicContact CE2-CD2 4.3Å; Y437-Y460 AromaticContact CE2-CE2 3.59Å; Y437-Y460 HydrophobicContact CE2-CE2 3.59Å; Y437-M465 PolarHBondContact OH-O 3.13Å
438	A	98.1	Very high	96.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-49.2	173	0	0	0	0	0	111.5	Y255 M257 L434 D435 S440 L441 M442 F544	Y255-A438 HydrophobicContact CE1-CB 4.18Å; Y255-A438 HydrophobicContact CE2-CB 4.06Å; Y255-A438 VanDerWaalsContact OH-CB 3.25Å; Y255-A438 WeakPolarHBondContact OH-CB 3.44Å; M257-A438 HydrophobicContact CE-CB 3.75Å; L434-A438 WeakPolarHBondContact O-CB 3.46Å; L434-A438 PolarHBondContact O-N 3.42Å; D435-A438 PolarHBondContact O-N 2.91Å; A438-S440 PolarHBondContact O-N 2.93Å; A438-L441 PolarHBondContact O-N 2.83Å; A438-M442 VanDerWaalsContact O-CB 3.26Å; A438-M442 WeakPolarHBondContact O-CB 3.26Å; A438-M442 PolarHBondContact O-N 3.08Å; A438-F544 HydrophobicContact CB-CB 4.33Å; A438-F544 HydrophobicContact CB-CD1 4.22Å; A438-F544 HydrophobicContact CB-CG 4.25Å
439	K	97.8	Very high	96.6	Very high	54 Å²	54	36.4 Å²	36.4	24%	0.235	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-45.9	176.3	-75.9	179.9	179.2	-170.1	0	112.1	D435 T436 L441 M442 H443 G444 V542 F544	D435-K439 WeakPolarHBondContact O-CB 3.47Å; D435-K439 WeakPolarHBondContact O-CG 3.03Å; D435-K439 PolarHBondContact O-N 3.43Å; T436-K439 PolarHBondContact O-N 3.16Å; K439-L441 PolarHBondContact O-N 2.75Å; K439-M442 PolarHBondContact O-N 3.12Å; K439-H443 WeakPolarHBondContact CB-NE2 3.38Å; K439-H443 PolarHBondContact O-CE1 3.28Å; K439-H443 PolarHBondContact O-N 2.83Å; K439-H443 PolarHBondContact O-ND1 2.71Å; K439-G444 PolarHBondContact O-N 3.36Å; K439-V542 VanDerWaalsContact CE-O 3.25Å; K439-V542 WeakPolarHBondContact CE-O 3.43Å; K439-V542 PolarHBondContact NZ-O 2.77Å; K439-F544 HydrophobicContact CD-CD2 4.48Å; K439-F544 HydrophobicContact CG-CB 4.27Å; K439-F544 HydrophobicContact CG-CD2 3.55Å; K439-F544 HydrophobicContact CG-CE2 4.31Å; K439-F544 HydrophobicContact CG-CG 4.29Å
440	S	98.1	Very high	96.9	Very high	13 Å²	13	27.9 Å²	27.9	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-38.4	178.1	-179.6	0	0	0	0	113.3	T436 Y437 A438 G444 R449 Y460	T436-S440 WeakPolarHBondContact O-CB 3.28Å; T436-S440 PolarHBondContact O-N 3.2Å; Y437-S440 PolarHBondContact O-N 2.88Å; A438-S440 PolarHBondContact O-N 2.93Å; S440-G444 VanDerWaalsContact O-CA 3.25Å; S440-G444 WeakPolarHBondContact O-CA 3.43Å; S440-G444 PolarHBondContact O-N 3.1Å; S440-R449 PolarHBondContact O-NH2 3.06Å; S440-R449 VanDerWaalsContact O-NH2 3.13Å; S440-Y460 WeakPolarHBondContact CB-OH 3.25Å; S440-Y460 VanDerWaalsContact OG-CE1 3.28Å; S440-Y460 WeakPolarHBondContact OG-CE1 3.3Å; S440-Y460 PolarHBondContact OG-OH 2.93Å
441	L	98.4	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-76.9	-32.5	175.8	-69.1	177.1	0	0	0	113	Y255 M257 Y437 A438 K439 I458 Y460 N468	Y255-L441 HydrophobicContact CD2-CB 4.02Å; Y255-L441 HydrophobicContact CD2-CD1 3.91Å; Y255-L441 HydrophobicContact CG-CB 3.94Å; M257-L441 HydrophobicContact CB-CD1 4.34Å; M257-L441 HydrophobicContact CG-CD1 3.61Å; Y437-L441 HydrophobicContact CD2-CD1 3.9Å; Y437-L441 HydrophobicContact CD2-CG 3.94Å; Y437-L441 HydrophobicContact CE2-CD1 3.49Å; Y437-L441 VanDerWaalsContact CE2-CD1 3.49Å; Y437-L441 HydrophobicContact CE2-CD2 4.16Å; Y437-L441 HydrophobicContact CE2-CG 3.77Å; Y437-L441 WeakPolarHBondContact O-CG 3.32Å; Y437-L441 PolarHBondContact O-N 3.18Å; A438-L441 PolarHBondContact O-N 2.83Å; K439-L441 PolarHBondContact O-N 2.75Å; L441-I458 HydrophobicContact CD2-CB 3.99Å; L441-I458 HydrophobicContact CD2-CD1 3.93Å; L441-I458 HydrophobicContact CD2-CG1 4.08Å; L441-Y460 HydrophobicContact CD2-CE2 4.04Å; L441-Y460 VanDerWaalsContact CD2-OH 3.31Å; L441-Y460 WeakPolarHBondContact CD2-OH 3.44Å; L441-N468 WeakPolarHBondContact O-CB 3.4Å; L441-N468 PolarHBondContact O-ND2 3.49Å
442	M	97.9	Very high	97.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-73.9	-56.4	-178.1	-175.6	59.2	130.9	0	0	112.1	V250 N253 Y255 A438 K439 F451 N468 F544 F710	V250-M442 HydrophobicContact CG2-CG 4.46Å; N253-M442 WeakPolarHBondContact O-CE 3.29Å; Y255-M442 HydrophobicContact CD1-CB 3.93Å; Y255-M442 HydrophobicContact CD1-CG 4.48Å; Y255-M442 HydrophobicContact CD1-SD 4Å; Y255-M442 HydrophobicContact CE1-CB 4.36Å; A438-M442 VanDerWaalsContact O-CB 3.26Å; A438-M442 WeakPolarHBondContact O-CB 3.26Å; A438-M442 PolarHBondContact O-N 3.08Å; K439-M442 PolarHBondContact O-N 3.12Å; M442-F451 WeakPolarHBondContact O-CE1 3.47Å; M442-N468 PolarHBondContact O-ND2 2.78Å; M442-F544 HydrophobicContact CB-CE2 4.24Å; M442-F544 HydrophobicContact CB-CZ 4.13Å; M442-F544 HydrophobicContact CE-CZ 4.02Å; M442-F544 HydrophobicContact CG-CE2 4.16Å; M442-F544 HydrophobicContact CG-CZ 3.86Å; M442-F710 VanDerWaalsContact CE-C 3.43Å; M442-F710 VanDerWaalsContact CE-CA 3.46Å; M442-F710 HydrophobicContact CE-CB 4.42Å
443	H	97.9	Very high	97.9	Very high	14 Å²	14	12.8 Å²	12.8	7%	0.065	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-13.5	-172.7	55	71.2	0	0	0	113.8	M249 V250 K439 K445 C446 A539	M249-H443 HydrophobicContact CE-CB 3.7Å; M249-H443 HydrophobicContact CG-CB 3.71Å; M249-H443 HydrophobicContact SD-CB 3.41Å; M249-H443 WeakPolarHBondContact SD-CB 3.49Å; V250-H443 HydrophobicContact CG2-CB 4.47Å; K439-H443 WeakPolarHBondContact CB-NE2 3.38Å; K439-H443 PolarHBondContact O-CE1 3.28Å; K439-H443 PolarHBondContact O-N 2.83Å; K439-H443 PolarHBondContact O-ND1 2.71Å; H443-K445 PolarHBondContact O-N 3.15Å; H443-C446 WeakPolarHBondContact O-CA 3.37Å; H443-C446 PolarHBondContact O-N 3.26Å; H443-A539 HydrophobicContact CB-CB 4.11Å
444	G	97.4	Very high	98	Very high	15 Å²	15	12.5 Å²	12.5	16%	0.155	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-133.4	-179.9	0	0	0	0	0	111.5	K439 S440 C446	K439-G444 PolarHBondContact O-N 3.36Å; S440-G444 VanDerWaalsContact O-CA 3.25Å; S440-G444 WeakPolarHBondContact O-CA 3.43Å; S440-G444 PolarHBondContact O-N 3.1Å; G444-C446 VanDerWaalsContact C-N 3.29Å
445	K	97.7	Very high	98.1	Very high	38 Å²	38	12.2 Å²	12.2	17%	0.165	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	10	174.4	-58	-179.9	-178.6	-172.1	0	112.9	E422 H443 Y447 D448	E422-K445 WeakPolarHBondContact OE1-CE 3.12Å; E422-K445 IonicContact OE1-NZ 3.33Å; E422-K445 PolarHBondContact OE1-NZ 2.79Å; H443-K445 PolarHBondContact O-N 3.15Å; K445-Y447 HydrophobicContact CB-CD1 4.15Å; K445-Y447 HydrophobicContact CB-CE1 3.68Å; K445-Y447 HydrophobicContact CB-CE2 4.12Å; K445-Y447 HydrophobicContact CD-CE2 4.48Å; K445-Y447 WeakPolarHBondContact O-CD1 3.3Å; K445-Y447 VanDerWaalsContact O-CE1 3.24Å; K445-Y447 WeakPolarHBondContact O-CE1 3.44Å; K445-Y447 PolarHBondContact O-N 2.95Å; K445-D448 HydrophobicContact CB-CB 4.42Å; K445-D448 PolarHBondContact N-OD1 3.4Å; K445-D448 PolarHBondContact N-OD2 3.31Å
446	C	98.4	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	66.7	4.7	-175.2	-53.5	0	0	0	0	115.2	M249 A381 A384 H443 G444 Y532 A535 A539	M249-C446 HydrophobicContact SD-CB 4.3Å; A381-C446 WeakPolarHBondContact CA-O 3.34Å; A384-C446 WeakPolarHBondContact CB-O 3.49Å; H443-C446 WeakPolarHBondContact O-CA 3.37Å; H443-C446 PolarHBondContact O-N 3.26Å; G444-C446 VanDerWaalsContact C-N 3.29Å; C446-Y532 HydrophobicContact CB-CD2 4.39Å; C446-Y532 HydrophobicContact CB-CE2 4.48Å; C446-A535 HydrophobicContact CB-CB 3.84Å; C446-A539 VanDerWaalsContact SG-CB 3.53Å
447	Y	97.8	Very high	98.2	Very high	39 Å²	39	8.8 Å²	8.8	15%	0.153	4%	0.044	C	C	.	.	S	Bend	trans	-145.2	-0.3	179.3	60.6	-105	0	0	0	114.3	F336 L377 K378 A380 K445 Y532	F336-Y447 HydrophobicContact CZ-CD2 4.28Å; L377-Y447 HydrophobicContact CD1-CE2 4.13Å; L377-Y447 WeakPolarHBondContact O-CD2 3.06Å; K378-Y447 HydrophobicContact CB-CG 4.45Å; K378-Y447 HydrophobicContact CG-CD1 4.07Å; K378-Y447 HydrophobicContact CG-CE1 4.49Å; K378-Y447 HydrophobicContact CG-CG 4.14Å; A380-Y447 WeakPolarHBondContact CB-O 3.3Å; K445-Y447 HydrophobicContact CB-CD1 4.15Å; K445-Y447 HydrophobicContact CB-CE1 3.68Å; K445-Y447 HydrophobicContact CB-CE2 4.12Å; K445-Y447 HydrophobicContact CD-CE2 4.48Å; K445-Y447 WeakPolarHBondContact O-CD1 3.3Å; K445-Y447 VanDerWaalsContact O-CE1 3.24Å; K445-Y447 WeakPolarHBondContact O-CE1 3.44Å; K445-Y447 PolarHBondContact O-N 2.95Å; Y447-Y532 AromaticContact CD1-CD2 3.71Å; Y447-Y532 HydrophobicContact CD1-CD2 3.71Å; Y447-Y532 AromaticContact CD1-CE2 3.5Å; Y447-Y532 HydrophobicContact CD1-CE2 3.5Å; Y447-Y532 HydrophobicContact CE1-CD2 4.42Å; Y447-Y532 AromaticContact CE1-CE2 3.79Å; Y447-Y532 HydrophobicContact CE1-CE2 3.79Å
448	D	97.8	Very high	98.2	Very high	4 Å²	4	8.5 Å²	8.5	2%	0.021	4%	0.043	C	C	.	.	S	Bend	trans	-104.9	13	-175.2	61.2	-22.4	0	0	0	112.2	F336 T418 K445	F336-D448 HydrophobicContact CD1-CB 3.93Å; F336-D448 HydrophobicContact CE1-CB 3.35Å; F336-D448 HydrophobicContact CZ-CB 3.86Å; T418-D448 WeakPolarHBondContact CG2-O 3.48Å; T418-D448 PolarHBondContact OG1-O 3.47Å; K445-D448 HydrophobicContact CB-CB 4.42Å; K445-D448 PolarHBondContact N-OD1 3.4Å; K445-D448 PolarHBondContact N-OD2 3.31Å
449	R	97.9	Very high	98.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-133.3	150.2	174.4	-50.9	-67.8	179.8	-92.7	-2.9	108.6	A380 D420 S440 F451	A380-R449 WeakPolarHBondContact CB-O 3.17Å; D420-R449 IonicContact OD2-CZ 3.62Å; D420-R449 IonicContact OD2-NH1 3.61Å; D420-R449 PolarHBondContact OD2-NH1 3.35Å; D420-R449 IonicContact OD2-NH2 3.82Å; D420-R449 PolarHBondContact OD2-NH2 3.45Å; S440-R449 PolarHBondContact O-NH2 3.06Å; S440-R449 VanDerWaalsContact O-NH2 3.13Å; R449-F451 HydrophobicContact CB-CD1 4.2Å; R449-F451 HydrophobicContact CB-CD2 4.34Å; R449-F451 HydrophobicContact CB-CE1 3.74Å; R449-F451 HydrophobicContact CB-CE2 3.92Å; R449-F451 HydrophobicContact CB-CG 4.48Å; R449-F451 HydrophobicContact CB-CZ 3.6Å; R449-F451 HydrophobicContact CG-CE1 4.01Å; R449-F451 HydrophobicContact CG-CZ 3.85Å
450	W	98.7	Very high	98.3	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.			trans	-99.6	88.4	169.3	-158.1	-90.6	0	0	0	108.9	Y341 A380 T383 W390 L407 I410 F416 D452 K453 N456	Y341-W450 HydrophobicContact CE1-CE3 4.25Å; Y341-W450 HydrophobicContact CE1-CZ3 4.34Å; A380-W450 HydrophobicContact CB-CE3 3.61Å; A380-W450 HydrophobicContact CB-CZ3 3.91Å; T383-W450 HydrophobicContact CG2-CD2 3.8Å; T383-W450 HydrophobicContact CG2-CE3 4.19Å; T383-W450 HydrophobicContact CG2-CG 4.27Å; T383-W450 HydrophobicContact CG2-CH2 4.22Å; T383-W450 HydrophobicContact CG2-CZ2 3.81Å; T383-W450 HydrophobicContact CG2-CZ3 4.39Å; W390-W450 HydrophobicContact CH2-CZ2 4.4Å; W390-W450 HydrophobicContact CZ2-CH2 4.45Å; W390-W450 AromaticContact CZ2-CZ2 3.96Å; W390-W450 HydrophobicContact CZ2-CZ2 3.96Å; L407-W450 HydrophobicContact CD1-CH2 3.78Å; L407-W450 HydrophobicContact CD1-CZ2 3.42Å; L407-W450 VanDerWaalsContact CD1-CZ2 3.42Å; I410-W450 HydrophobicContact CD1-CE3 4.05Å; I410-W450 HydrophobicContact CD1-CH2 4.04Å; I410-W450 HydrophobicContact CD1-CZ3 3.77Å; I410-W450 HydrophobicContact CG2-CD2 3.51Å; I410-W450 HydrophobicContact CG2-CE3 4.06Å; I410-W450 HydrophobicContact CG2-CG 3.7Å; I410-W450 HydrophobicContact CG2-CZ2 4.09Å; F416-W450 HydrophobicContact CB-CB 4.5Å; F416-W450 HydrophobicContact CD1-CB 4.21Å; F416-W450 HydrophobicContact CD2-CB 3.77Å; F416-W450 HydrophobicContact CD2-CG 4.49Å; F416-W450 HydrophobicContact CE1-CB 4.32Å; F416-W450 HydrophobicContact CE2-CB 3.89Å; F416-W450 HydrophobicContact CG-CB 3.92Å; F416-W450 HydrophobicContact CZ-CB 4.15Å; W450-D452 PolarHBondContact O-N 3.28Å; W450-D452 VanDerWaalsContact O-N 3.07Å; W450-K453 HydrophobicContact CB-CB 4.42Å; W450-K453 VanDerWaalsContact O-CB 3.29Å; W450-K453 WeakPolarHBondContact O-CB 3.5Å; W450-K453 PolarHBondContact O-N 3.03Å; W450-N456 PolarHBondContact N-OD1 3.26Å; W450-N456 PolarHBondContact O-ND2 3.34Å; W450-N456 PolarHBondContact O-OD1 2.94Å
451	F	98.7	Very high	98.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.5	-168.4	-67	-72.3	0	0	0	114.2	I248 M249 N253 T383 A384 M442 R449 K453	I248-F451 HydrophobicContact CD1-CB 4.45Å; I248-F451 HydrophobicContact CG1-CB 4.45Å; M249-F451 HydrophobicContact CB-CD1 4.05Å; M249-F451 HydrophobicContact CB-CD2 4.29Å; M249-F451 HydrophobicContact CB-CE1 4.12Å; M249-F451 HydrophobicContact CB-CE2 4.35Å; M249-F451 HydrophobicContact CB-CG 4.14Å; M249-F451 HydrophobicContact CB-CZ 4.26Å; M249-F451 HydrophobicContact CG-CD1 3.92Å; M249-F451 HydrophobicContact CG-CD2 4.37Å; M249-F451 HydrophobicContact CG-CE1 3.48Å; M249-F451 VanDerWaalsContact CG-CE1 3.48Å; M249-F451 HydrophobicContact CG-CE2 3.96Å; M249-F451 HydrophobicContact CG-CG 4.35Å; M249-F451 HydrophobicContact CG-CZ 3.48Å; M249-F451 VanDerWaalsContact CG-CZ 3.48Å; M249-F451 HydrophobicContact SD-CD2 4.47Å; M249-F451 HydrophobicContact SD-CE1 4.12Å; M249-F451 HydrophobicContact SD-CE2 3.67Å; M249-F451 HydrophobicContact SD-CZ 3.45Å; M249-F451 WeakPolarHBondContact SD-CZ 3.24Å; N253-F451 PolarHBondContact ND2-O 3.36Å; T383-F451 PolarHBondContact OG1-N 2.93Å; T383-F451 VanDerWaalsContact OG1-N 3.08Å; A384-F451 HydrophobicContact CB-CD2 3.59Å; A384-F451 HydrophobicContact CB-CE2 3.53Å; M442-F451 WeakPolarHBondContact O-CE1 3.47Å; R449-F451 HydrophobicContact CB-CD1 4.2Å; R449-F451 HydrophobicContact CB-CD2 4.34Å; R449-F451 HydrophobicContact CB-CE1 3.74Å; R449-F451 HydrophobicContact CB-CE2 3.92Å; R449-F451 HydrophobicContact CB-CG 4.48Å; R449-F451 HydrophobicContact CB-CZ 3.6Å; R449-F451 HydrophobicContact CG-CE1 4.01Å; R449-F451 HydrophobicContact CG-CZ 3.85Å; F451-K453 VanDerWaalsContact C-N 3.33Å
452	D	98.8	Very high	98.2	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.7	173.5	-75.2	-16.2	0	0	0	113.7	I248 T314 R315 R387 W390 W450	I248-D452 WeakPolarHBondContact CD1-OD1 3.48Å; T314-D452 CarbonylContact C-O 3.52Å; T314-D452 WeakPolarHBondContact CA-O 3.45Å; T314-D452 HydrophobicContact CG2-CB 4.04Å; R315-D452 HydrophobicContact CB-CB 4.47Å; R315-D452 PolarHBondContact N-O 2.87Å; R315-D452 VanDerWaalsContact O-CB 3.27Å; R315-D452 WeakPolarHBondContact O-CB 3.45Å; R387-D452 IonicContact CZ-OD1 2.83Å; R387-D452 IonicContact NH1-OD1 2.68Å; R387-D452 PolarHBondContact NH1-OD1 3.47Å; R387-D452 IonicContact NH2-OD1 2.73Å; R387-D452 PolarHBondContact NH2-OD1 2.93Å; R387-D452 IonicContact NH2-OD2 3.1Å; W390-D452 PolarHBondContact NE1-OD2 3.23Å; W450-D452 PolarHBondContact O-N 3.28Å; W450-D452 VanDerWaalsContact O-N 3.07Å
453	K	98.7	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-70.3	139.3	-179.8	-160.6	75	-166.7	171.6	0	109.5	T314 I410 E411 A413 F416 W450 F451 F455 E470	T314-K453 PolarHBondContact OG1-NZ 3.1Å; I410-K453 PolarHBondContact O-NZ 3.33Å; E411-K453 PolarHBondContact O-NZ 3.01Å; A413-K453 WeakPolarHBondContact O-CE 3.36Å; A413-K453 PolarHBondContact O-NZ 3.28Å; F416-K453 HydrophobicContact CB-CB 4.24Å; F416-K453 HydrophobicContact CB-CG 4.01Å; W450-K453 HydrophobicContact CB-CB 4.42Å; W450-K453 VanDerWaalsContact O-CB 3.29Å; W450-K453 WeakPolarHBondContact O-CB 3.5Å; W450-K453 PolarHBondContact O-N 3.03Å; F451-K453 VanDerWaalsContact C-N 3.33Å; K453-F455 WeakPolarHBondContact CG-O 3.48Å; K453-F455 PolarHBondContact O-N 2.92Å; K453-E470 WeakPolarHBondContact O-CB 3.32Å
454	S	98.1	Very high	98.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-41.8	-44.9	173.8	37.4	0	0	0	0	112.9	M310 T313 I469 E470 W473	M310-S454 PolarHBondContact O-OG 2.45Å; T313-S454 VanDerWaalsContact O-CB 3.31Å; T313-S454 WeakPolarHBondContact O-CB 3.33Å; T313-S454 PolarHBondContact O-N 3.48Å; T313-S454 PolarHBondContact O-OG 2.84Å; S454-I469 WeakPolarHBondContact O-CG2 3.38Å; S454-E470 PolarHBondContact O-N 2.67Å; S454-E470 VanDerWaalsContact O-N 3.17Å; S454-W473 PolarHBondContact O-NE1 2.58Å
455	F	98.7	Very high	98.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.9	162	67.2	-85.4	0	0	0	112.9	M279 M310 F311 F415 F416 K453 V467 N468 I469 M482	M279-F455 HydrophobicContact CE-CE2 4Å; M279-F455 HydrophobicContact SD-CE2 3.9Å; M279-F455 HydrophobicContact SD-CZ 4.21Å; M310-F455 HydrophobicContact CG-CE1 4.39Å; M310-F455 WeakPolarHBondContact O-CD1 3.43Å; M310-F455 WeakPolarHBondContact O-CE1 3.31Å; F311-F455 AromaticContact CD1-CE1 3.93Å; F311-F455 HydrophobicContact CD1-CE1 3.93Å; F311-F455 AromaticContact CD1-CZ 3.89Å; F311-F455 HydrophobicContact CD1-CZ 3.89Å; F311-F455 AromaticContact CE1-CE1 3.98Å; F311-F455 HydrophobicContact CE1-CE1 3.98Å; F311-F455 AromaticContact CE1-CZ 3.62Å; F311-F455 HydrophobicContact CE1-CZ 3.62Å; F311-F455 HydrophobicContact CZ-CZ 4.4Å; F415-F455 HydrophobicContact CB-CD1 4.29Å; F415-F455 HydrophobicContact CB-CD2 3.98Å; F415-F455 HydrophobicContact CB-CE1 3.76Å; F415-F455 HydrophobicContact CB-CE2 3.41Å; F415-F455 VanDerWaalsContact CB-CE2 3.41Å; F415-F455 HydrophobicContact CB-CG 4.4Å; F415-F455 HydrophobicContact CB-CZ 3.3Å; F415-F455 HydrophobicContact CD1-CE2 4.2Å; F415-F455 AromaticContact CD1-CZ 3.77Å; F415-F455 HydrophobicContact CD1-CZ 3.77Å; F415-F455 AromaticContact CD2-CE2 3.78Å; F415-F455 HydrophobicContact CD2-CE2 3.78Å; F415-F455 HydrophobicContact CD2-CZ 4.19Å; F415-F455 HydrophobicContact CG-CD2 4.49Å; F415-F455 HydrophobicContact CG-CE1 4.41Å; F415-F455 AromaticContact CG-CE2 3.55Å; F415-F455 HydrophobicContact CG-CE2 3.55Å; F415-F455 AromaticContact CG-CZ 3.51Å; F415-F455 HydrophobicContact CG-CZ 3.51Å; F416-F455 PolarHBondContact N-O 2.88Å; K453-F455 WeakPolarHBondContact CG-O 3.48Å; K453-F455 PolarHBondContact O-N 2.92Å; F455-V467 HydrophobicContact CB-CG1 3.74Å; F455-V467 HydrophobicContact CD2-CG1 3.93Å; F455-V467 HydrophobicContact CG-CG1 4.21Å; F455-N468 CarbonylContact C-O 3.59Å; F455-N468 WeakPolarHBondContact CA-O 3.43Å; F455-N468 WeakPolarHBondContact CB-O 3.38Å; F455-I469 HydrophobicContact CB-CG1 4.19Å; F455-M482 HydrophobicContact CE2-CE 4.42Å; F455-M482 HydrophobicContact CZ-CE 4.36Å; F455-M482 HydrophobicContact CZ-SD 4.32Å
456	N	98.7	Very high	98.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128	167.9	-60.1	-98.2	0	0	0	108.1	F416 W450 I458 V467 N468	F416-N456 WeakPolarHBondContact CB-OD1 3.16Å; F416-N456 WeakPolarHBondContact CD1-OD1 3.42Å; F416-N456 CarbonylContact O-C 3.56Å; F416-N456 WeakPolarHBondContact O-CA 3.21Å; W450-N456 PolarHBondContact N-OD1 3.26Å; W450-N456 PolarHBondContact O-ND2 3.34Å; W450-N456 PolarHBondContact O-OD1 2.94Å; N456-I458 HydrophobicContact CB-CD1 4.26Å; N456-I458 WeakPolarHBondContact O-CD1 3.35Å; N456-V467 CarbonylContact O-C 3.5Å; N456-V467 VanDerWaalsContact O-CA 3.27Å; N456-V467 WeakPolarHBondContact O-CA 3.45Å; N456-V467 WeakPolarHBondContact O-CG1 3.45Å; N456-N468 HydrophobicContact CB-CB 4.2Å; N456-N468 PolarHBondContact N-O 2.8Å; N456-N468 PolarHBondContact O-N 2.75Å
457	L	98.9	Very high	98.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.1	167	175.6	60.6	0	0	0	108.4	I275 V276 M279 F415 F416 L417 T418 M465 V467 W483	I275-L457 HydrophobicContact CG2-CD1 4.07Å; I275-L457 HydrophobicContact CG2-CD2 3.81Å; V276-L457 HydrophobicContact CG2-CD2 3.96Å; M279-L457 HydrophobicContact CE-CB 4.49Å; M279-L457 HydrophobicContact CE-CD1 3.93Å; M279-L457 HydrophobicContact CE-CD2 4Å; M279-L457 HydrophobicContact CE-CG 4.37Å; M279-L457 HydrophobicContact SD-CD2 4.07Å; F415-L457 HydrophobicContact CD2-CB 4.34Å; F415-L457 HydrophobicContact CE2-CB 4.39Å; F415-L457 HydrophobicContact CE2-CD2 4.14Å; F416-L457 PolarHBondContact O-N 2.91Å; L417-L457 CarbonylContact C-O 3.57Å; L417-L457 WeakPolarHBondContact CA-O 3.2Å; L417-L457 HydrophobicContact CD1-CB 4.13Å; L417-L457 HydrophobicContact CD1-CD2 3.94Å; L417-L457 HydrophobicContact CD1-CG 3.81Å; L417-L457 WeakPolarHBondContact CD1-O 3.36Å; T418-L457 PolarHBondContact N-O 3.46Å; L457-M465 HydrophobicContact CD1-CE 3.76Å; L457-M465 HydrophobicContact CD1-SD 4.3Å; L457-M465 HydrophobicContact CD2-CE 3.99Å; L457-M465 HydrophobicContact CG-CE 3.84Å; L457-V467 HydrophobicContact CD1-CG2 4.46Å; L457-W483 HydrophobicContact CD1-CH2 4Å; L457-W483 HydrophobicContact CD1-CZ3 4.03Å
458	I	98.8	Very high	98.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.7	178	-57.1	77.8	0	0	0	108.2	D420 L441 N456 Y460 M465 G466 N468	D420-I458 HydrophobicContact CB-CG2 4.22Å; L441-I458 HydrophobicContact CD2-CB 3.99Å; L441-I458 HydrophobicContact CD2-CD1 3.93Å; L441-I458 HydrophobicContact CD2-CG1 4.08Å; N456-I458 HydrophobicContact CB-CD1 4.26Å; N456-I458 WeakPolarHBondContact O-CD1 3.35Å; I458-Y460 HydrophobicContact CB-CE2 4.29Å; I458-Y460 HydrophobicContact CG2-CD1 4.31Å; I458-Y460 HydrophobicContact CG2-CD2 4.32Å; I458-Y460 HydrophobicContact CG2-CE1 3.74Å; I458-Y460 HydrophobicContact CG2-CE2 3.68Å; I458-Y460 VanDerWaalsContact CG2-CZ 3.42Å; I458-M465 CarbonylContact O-C 3.54Å; I458-M465 WeakPolarHBondContact O-CA 3.32Å; I458-M465 WeakPolarHBondContact O-CB 3.41Å; I458-G466 PolarHBondContact N-O 3.11Å; I458-G466 PolarHBondContact O-N 3.38Å; I458-N468 HydrophobicContact CD1-CB 4.15Å
459	S	98.6	Very high	98.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124	175.4	-167.7	0	0	0	0	109.5	Q268 T418 D420 M465	Q268-S459 WeakPolarHBondContact CG-OG 3.45Å; Q268-S459 PolarHBondContact NE2-O 3.47Å; Q268-S459 PolarHBondContact O-OG 3.43Å; T418-S459 PolarHBondContact O-N 2.9Å; D420-S459 WeakPolarHBondContact CB-O 3.36Å; D420-S459 PolarHBondContact N-O 3.19Å; S459-M465 VanDerWaalsContact CB-CE 3.43Å
460	Y	98.6	Very high	98.3	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.03	C	C	.	.			trans	-98.5	153.8	-179.6	-62.9	-72.9	0	0	0	111.7	Q268 D420 E422 Q424 Y437 S440 L441 I458 N462 G463 K464	Q268-Y460 WeakPolarHBondContact CG-O 3.4Å; D420-Y460 HydrophobicContact CB-CD1 3.75Å; D420-Y460 HydrophobicContact CB-CE1 4Å; E422-Y460 WeakPolarHBondContact O-CD1 3.3Å; Q424-Y460 HydrophobicContact CB-CD1 3.88Å; Q424-Y460 HydrophobicContact CB-CD2 4.18Å; Q424-Y460 HydrophobicContact CB-CE1 3.73Å; Q424-Y460 HydrophobicContact CB-CE2 4.1Å; Q424-Y460 HydrophobicContact CB-CG 4.06Å; Q424-Y460 HydrophobicContact CG-CD1 3.74Å; Q424-Y460 HydrophobicContact CG-CE1 3.36Å; Q424-Y460 HydrophobicContact CG-CG 4.42Å; Y437-Y460 HydrophobicContact CD2-CE2 4.1Å; Y437-Y460 HydrophobicContact CE2-CD2 4.3Å; Y437-Y460 AromaticContact CE2-CE2 3.59Å; Y437-Y460 HydrophobicContact CE2-CE2 3.59Å; S440-Y460 WeakPolarHBondContact CB-OH 3.25Å; S440-Y460 VanDerWaalsContact OG-CE1 3.28Å; S440-Y460 WeakPolarHBondContact OG-CE1 3.3Å; S440-Y460 PolarHBondContact OG-OH 2.93Å; L441-Y460 HydrophobicContact CD2-CE2 4.04Å; L441-Y460 VanDerWaalsContact CD2-OH 3.31Å; L441-Y460 WeakPolarHBondContact CD2-OH 3.44Å; I458-Y460 HydrophobicContact CB-CE2 4.29Å; I458-Y460 HydrophobicContact CG2-CD1 4.31Å; I458-Y460 HydrophobicContact CG2-CD2 4.32Å; I458-Y460 HydrophobicContact CG2-CE1 3.74Å; I458-Y460 HydrophobicContact CG2-CE2 3.68Å; I458-Y460 VanDerWaalsContact CG2-CZ 3.42Å; Y460-N462 VanDerWaalsContact CB-OD1 3.28Å; Y460-N462 WeakPolarHBondContact CB-OD1 3.28Å; Y460-N462 PolarHBondContact O-N 3.09Å; Y460-N462 VanDerWaalsContact O-N 3.12Å; Y460-G463 PolarHBondContact O-N 3.24Å; Y460-K464 WeakPolarHBondContact CB-O 3.25Å; Y460-K464 HydrophobicContact CD2-CB 4.13Å; Y460-K464 WeakPolarHBondContact CD2-O 3.47Å; Y460-K464 PolarHBondContact N-O 3.22Å
461	P	98.2	Very high	98.2	Very high	44 Å²	44	7.3 Å²	7.3	29%	0.286	4%	0.04	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.1	-175.7	23.7	-35.9	0	0	0	114	P423 G463	P423-P461 HydrophobicContact CB-CG 4.09Å; P461-G463 VanDerWaalsContact C-N 3.28Å; P461-G463 PolarHBondContact O-N 3.32Å
462	N	96.6	Very high	98.1	Very high	57 Å²	57	7.3 Å²	7.3	31%	0.305	4%	0.04	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	4.2	176.3	66.3	-11	0	0	0	114	T263 P423 Q424 Y460 K464	T263-N462 WeakPolarHBondContact CG2-O 3.46Å; P423-N462 HydrophobicContact CB-CB 4.03Å; Q424-N462 PolarHBondContact O-ND2 2.64Å; Q424-N462 PolarHBondContact O-OD1 3.21Å; Y460-N462 VanDerWaalsContact CB-OD1 3.28Å; Y460-N462 WeakPolarHBondContact CB-OD1 3.28Å; Y460-N462 PolarHBondContact O-N 3.09Å; Y460-N462 VanDerWaalsContact O-N 3.12Å; N462-K464 VanDerWaalsContact C-N 3.34Å; N462-K464 PolarHBondContact O-N 2.96Å; N462-K464 WeakPolarHBondContact OD1-CB 2.97Å; N462-K464 PolarHBondContact OD1-N 3.09Å; N462-K464 VanDerWaalsContact OD1-N 3.15Å
463	G	96.9	Very high	98	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	81.6	3.6	-178.9	0	0	0	0	0	115.2	R271 Y460 P461	R271-G463 WeakPolarHBondContact CD-O 3.22Å; R271-G463 WeakPolarHBondContact CG-O 3.42Å; R271-G463 PolarHBondContact NE-O 3.16Å; Y460-G463 PolarHBondContact O-N 3.24Å; P461-G463 VanDerWaalsContact C-N 3.28Å; P461-G463 PolarHBondContact O-N 3.32Å
464	K	97.2	Very high	97.8	Very high	8 Å²	8	7.4 Å²	7.4	4%	0.035	4%	0.04	C	C	.	.			trans	-71.4	155.7	164.7	-72.1	-64.1	-163.5	-172.7	0	110.4	L259 L260 V262 T263 Q424 Y460 N462	L259-K464 PolarHBondContact O-NZ 3.39Å; L260-K464 PolarHBondContact O-NZ 3.28Å; V262-K464 PolarHBondContact O-NZ 2.83Å; T263-K464 HydrophobicContact CG2-CD 4.37Å; T263-K464 WeakPolarHBondContact OG1-CD 3.37Å; T263-K464 WeakPolarHBondContact OG1-CE 3.45Å; T263-K464 PolarHBondContact OG1-NZ 3.35Å; T263-K464 VanDerWaalsContact OG1-NZ 3.12Å; Q424-K464 VanDerWaalsContact O-CB 3.26Å; Q424-K464 WeakPolarHBondContact O-CB 3.43Å; Q424-K464 VanDerWaalsContact O-CG 3.24Å; Q424-K464 WeakPolarHBondContact O-CG 3.28Å; Y460-K464 WeakPolarHBondContact CB-O 3.25Å; Y460-K464 HydrophobicContact CD2-CB 4.13Å; Y460-K464 WeakPolarHBondContact CD2-O 3.47Å; Y460-K464 PolarHBondContact N-O 3.22Å; N462-K464 VanDerWaalsContact C-N 3.34Å; N462-K464 PolarHBondContact O-N 2.96Å; N462-K464 WeakPolarHBondContact OD1-CB 2.97Å; N462-K464 PolarHBondContact OD1-N 3.09Å; N462-K464 VanDerWaalsContact OD1-N 3.15Å
465	M	97.4	Very high	97.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	-175.4	177.4	-59.1	-154	88.7	0	0	112.9	D258 R271 A272 I275 Y437 L457 I458 S459 W483	D258-M465 WeakPolarHBondContact CB-O 3.46Å; D258-M465 PolarHBondContact OD2-N 3Å; R271-M465 HydrophobicContact CG-CG 3.64Å; R271-M465 HydrophobicContact CG-SD 3.62Å; A272-M465 HydrophobicContact CB-CE 4.27Å; I275-M465 HydrophobicContact CB-SD 3.67Å; I275-M465 HydrophobicContact CD1-SD 4.42Å; I275-M465 HydrophobicContact CG1-SD 3.49Å; I275-M465 WeakPolarHBondContact CG1-SD 3.24Å; I275-M465 HydrophobicContact CG2-CE 4.38Å; I275-M465 HydrophobicContact CG2-SD 3.73Å; Y437-M465 PolarHBondContact OH-O 3.13Å; L457-M465 HydrophobicContact CD1-CE 3.76Å; L457-M465 HydrophobicContact CD1-SD 4.3Å; L457-M465 HydrophobicContact CD2-CE 3.99Å; L457-M465 HydrophobicContact CG-CE 3.84Å; I458-M465 CarbonylContact O-C 3.54Å; I458-M465 WeakPolarHBondContact O-CA 3.32Å; I458-M465 WeakPolarHBondContact O-CB 3.41Å; S459-M465 VanDerWaalsContact CB-CE 3.43Å; M465-W483 HydrophobicContact CB-CH2 4.26Å
466	G	98.1	Very high	97.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-179.8	164.5	0	0	0	0	0	110.5	I256 I458	I256-G466 WeakPolarHBondContact O-CA 3.44Å; I458-G466 PolarHBondContact N-O 3.11Å; I458-G466 PolarHBondContact O-N 3.38Å
467	V	98.4	Very high	97.3	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.4	-174.5	-168.6	0	0	0	0	110.1	Y255 I256 F455 N456 L457 I469 W483	Y255-V467 CarbonylContact C-O 3.59Å; Y255-V467 WeakPolarHBondContact CA-O 3.36Å; Y255-V467 WeakPolarHBondContact CB-O 3.26Å; I256-V467 PolarHBondContact N-O 3.39Å; I256-V467 PolarHBondContact O-N 3.2Å; F455-V467 HydrophobicContact CB-CG1 3.74Å; F455-V467 HydrophobicContact CD2-CG1 3.93Å; F455-V467 HydrophobicContact CG-CG1 4.21Å; N456-V467 CarbonylContact O-C 3.5Å; N456-V467 VanDerWaalsContact O-CA 3.27Å; N456-V467 WeakPolarHBondContact O-CA 3.45Å; N456-V467 WeakPolarHBondContact O-CG1 3.45Å; L457-V467 HydrophobicContact CD1-CG2 4.46Å; V467-I469 HydrophobicContact CB-CD1 3.93Å; V467-I469 HydrophobicContact CG1-CD1 3.64Å; V467-I469 HydrophobicContact CG1-CG1 3.82Å; V467-I469 WeakPolarHBondContact O-CD1 3.18Å; V467-W483 HydrophobicContact CG2-CD2 3.98Å; V467-W483 HydrophobicContact CG2-CE3 3.5Å; V467-W483 HydrophobicContact CG2-CH2 3.62Å; V467-W483 HydrophobicContact CG2-CZ2 4.06Å; V467-W483 HydrophobicContact CG2-CZ3 3.31Å
468	N	98.7	Very high	97.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.1	163.8	-178.5	-86.1	0	0	0	108.9	N253 L441 M442 F455 N456 I458	N253-N468 PolarHBondContact ND2-OD1 3.02Å; L441-N468 WeakPolarHBondContact O-CB 3.4Å; L441-N468 PolarHBondContact O-ND2 3.49Å; M442-N468 PolarHBondContact O-ND2 2.78Å; F455-N468 CarbonylContact C-O 3.59Å; F455-N468 WeakPolarHBondContact CA-O 3.43Å; F455-N468 WeakPolarHBondContact CB-O 3.38Å; N456-N468 HydrophobicContact CB-CB 4.2Å; N456-N468 PolarHBondContact N-O 2.8Å; N456-N468 PolarHBondContact O-N 2.75Å; I458-N468 HydrophobicContact CD1-CB 4.15Å
469	I	98.7	Very high	97	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.1	-169.6	-56.6	87.9	0	0	0	110.6	N253 F254 I256 S454 F455 V467 W473 V479	N253-I469 WeakPolarHBondContact CA-O 3.47Å; N253-I469 VanDerWaalsContact CB-O 3.24Å; N253-I469 WeakPolarHBondContact CB-O 3.46Å; F254-I469 HydrophobicContact CD1-CB 4.19Å; F254-I469 HydrophobicContact CD1-CG2 4.42Å; F254-I469 HydrophobicContact CD2-CB 4.19Å; F254-I469 HydrophobicContact CD2-CD1 3.92Å; F254-I469 HydrophobicContact CD2-CG1 4.41Å; F254-I469 HydrophobicContact CE1-CB 3.82Å; F254-I469 HydrophobicContact CE1-CG2 3.61Å; F254-I469 HydrophobicContact CE2-CB 3.81Å; F254-I469 HydrophobicContact CE2-CD1 3.72Å; F254-I469 HydrophobicContact CE2-CG1 3.88Å; F254-I469 HydrophobicContact CE2-CG2 4.13Å; F254-I469 HydrophobicContact CG-CB 4.38Å; F254-I469 HydrophobicContact CZ-CB 3.62Å; F254-I469 HydrophobicContact CZ-CD1 4.4Å; F254-I469 HydrophobicContact CZ-CG1 4.06Å; F254-I469 HydrophobicContact CZ-CG2 3.44Å; F254-I469 VanDerWaalsContact CZ-CG2 3.44Å; F254-I469 PolarHBondContact N-O 2.88Å; F254-I469 VanDerWaalsContact N-O 3.12Å; F254-I469 WeakPolarHBondContact O-CD1 3.27Å; F254-I469 PolarHBondContact O-N 3.19Å; I256-I469 HydrophobicContact CD1-CD1 4.22Å; I256-I469 HydrophobicContact CG1-CD1 4Å; S454-I469 WeakPolarHBondContact O-CG2 3.38Å; F455-I469 HydrophobicContact CB-CG1 4.19Å; V467-I469 HydrophobicContact CB-CD1 3.93Å; V467-I469 HydrophobicContact CG1-CD1 3.64Å; V467-I469 HydrophobicContact CG1-CG1 3.82Å; V467-I469 WeakPolarHBondContact O-CD1 3.18Å; I469-W473 HydrophobicContact CG2-CZ2 4.12Å; I469-V479 HydrophobicContact CD1-CG1 4.36Å; I469-V479 HydrophobicContact CG1-CB 4.47Å; I469-V479 HydrophobicContact CG1-CG1 3.98Å; I469-V479 HydrophobicContact CG1-CG2 4.19Å; I469-V479 HydrophobicContact CG2-CG2 3.99Å
470	E	98.3	Very high	96.9	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	6%	0.061	C	C	.	.			trans	-76	128.5	167.8	-165	-71.1	135.5	0	0	109.9	I248 R315 K453 S454 S472 W473	I248-E470 HydrophobicContact CD1-CG 4.27Å; R315-E470 HydrophobicContact CB-CG 4.22Å; R315-E470 WeakPolarHBondContact CD-OE1 3.35Å; R315-E470 IonicContact NH1-OE1 3.75Å; R315-E470 PolarHBondContact NH1-OE1 3.43Å; K453-E470 WeakPolarHBondContact O-CB 3.32Å; S454-E470 PolarHBondContact O-N 2.67Å; S454-E470 VanDerWaalsContact O-N 3.17Å; E470-S472 WeakPolarHBondContact OE1-CB 3.25Å; E470-S472 PolarHBondContact OE1-N 3.45Å; E470-S472 PolarHBondContact OE1-OG 3.09Å; E470-S472 WeakPolarHBondContact OE2-CB 3.44Å; E470-S472 PolarHBondContact OE2-N 3.31Å; E470-S472 VanDerWaalsContact OE2-N 3.13Å; E470-S472 PolarHBondContact OE2-OG 3.04Å; E470-W473 PolarHBondContact O-NE1 2.88Å
471	H	97.6	Very high	96.7	Very high	43 Å²	43	10.8 Å²	10.8	20%	0.199	6%	0.063	C	C	.	.	S	Bend	trans	-88.1	-17.3	-162.7	-160.4	-4.8	0	0	0	115.1	Y241 S252 F254 W473 A474 D475 R599	Y241-H471 HydrophobicContact CD1-CB 4.31Å; Y241-H471 HydrophobicContact CE1-CB 3.95Å; Y241-H471 AromaticContact CE1-CD2 3.97Å; Y241-H471 AromaticContact CE1-CG 3.77Å; S252-H471 VanDerWaalsContact O-CB 3.28Å; S252-H471 WeakPolarHBondContact O-CB 3.49Å; S252-H471 PolarHBondContact O-CD2 3.32Å; F254-H471 HydrophobicContact CD1-CB 4.09Å; F254-H471 AromaticContact CD1-CD2 3.98Å; F254-H471 AromaticContact CD1-CG 3.83Å; F254-H471 HydrophobicContact CE1-CB 4.21Å; F254-H471 AromaticContact CE1-CG 3.89Å; F254-H471 AromaticContact CE1-ND1 3.75Å; H471-W473 VanDerWaalsContact C-N 3.28Å; H471-W473 PolarHBondContact O-N 3.19Å; H471-A474 PolarHBondContact ND1-O 2.87Å; H471-A474 PolarHBondContact O-N 2.75Å; H471-A474 VanDerWaalsContact O-O 3.07Å; H471-D475 IonicContact CE1-OD1 2.83Å; H471-R599 PolarHBondContact CE1-NH2 2.87Å; H471-R599 PolarHBondContact ND1-NH2 2.78Å; H471-R599 PolarHBondContact O-NH1 2.66Å; H471-R599 PolarHBondContact O-NH2 2.94Å
472	S	96.9	Very high	96.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-61.7	-34.6	-173.9	73.2	0	0	0	0	113.1	V324 E470 R599	V324-S472 WeakPolarHBondContact CG2-OG 3.3Å; E470-S472 WeakPolarHBondContact OE1-CB 3.25Å; E470-S472 PolarHBondContact OE1-N 3.45Å; E470-S472 PolarHBondContact OE1-OG 3.09Å; E470-S472 WeakPolarHBondContact OE2-CB 3.44Å; E470-S472 PolarHBondContact OE2-N 3.31Å; E470-S472 VanDerWaalsContact OE2-N 3.13Å; E470-S472 PolarHBondContact OE2-OG 3.04Å; S472-R599 PolarHBondContact O-NH1 2.84Å
473	W	95.3	Very high	96.7	Very high	3 Å²	3	6.3 Å²	6.3	1%	0.011	4%	0.036	C	C	.	.	S	Bend	trans	-86.9	-25.1	-175.7	72.3	-87.1	0	0	0	114.6	Q306 R309 M310 T313 V324 S454 I469 E470 H471 I478 V479	Q306-W473 WeakPolarHBondContact O-CZ3 3.42Å; R309-W473 HydrophobicContact CB-CB 4.27Å; R309-W473 HydrophobicContact CB-CD2 4.43Å; R309-W473 HydrophobicContact CB-CE3 3.84Å; M310-W473 VanDerWaalsContact CA-CZ3 3.43Å; M310-W473 HydrophobicContact CB-CH2 3.84Å; M310-W473 HydrophobicContact CB-CZ3 3.85Å; M310-W473 HydrophobicContact CE-CH2 4.42Å; M310-W473 HydrophobicContact CG-CH2 3.88Å; M310-W473 HydrophobicContact CG-CZ3 4.39Å; T313-W473 HydrophobicContact CG2-CB 4.49Å; T313-W473 HydrophobicContact CG2-CG 4.48Å; V324-W473 HydrophobicContact CG1-CB 4.26Å; S454-W473 PolarHBondContact O-NE1 2.58Å; I469-W473 HydrophobicContact CG2-CZ2 4.12Å; E470-W473 PolarHBondContact O-NE1 2.88Å; H471-W473 VanDerWaalsContact C-N 3.28Å; H471-W473 PolarHBondContact O-N 3.19Å; W473-I478 HydrophobicContact CH2-CG2 4.43Å; W473-I478 HydrophobicContact CZ3-CG2 4.13Å; W473-V479 HydrophobicContact CH2-CG2 3.82Å; W473-V479 HydrophobicContact CZ2-CG2 3.89Å
474	A	94.8	Very high	96.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.			trans	-157.7	162.9	-179.8	0	0	0	0	0	116.6	Q306 H471 I478 R599	Q306-A474 HydrophobicContact CB-CB 4.19Å; H471-A474 PolarHBondContact ND1-O 2.87Å; H471-A474 PolarHBondContact O-N 2.75Å; H471-A474 VanDerWaalsContact O-O 3.07Å; A474-I478 HydrophobicContact CB-CB 4.04Å; A474-I478 HydrophobicContact CB-CG1 4.24Å; A474-I478 HydrophobicContact CB-CG2 4.06Å; A474-R599 PolarHBondContact O-NH2 2.76Å
475	D	96.1	Very high	96.6	Very high	14 Å²	14	8.1 Å²	8.1	8%	0.075	4%	0.044	C	C	.	.			trans	-89	154.2	172	-58.3	-57.8	0	0	0	112.2	Q306 H471 P477 I478 R599 T600	Q306-D475 PolarHBondContact NE2-OD2 2.81Å; Q306-D475 PolarHBondContact OE1-OD2 3.12Å; H471-D475 IonicContact CE1-OD1 2.83Å; D475-P477 VanDerWaalsContact C-CD 3.41Å; D475-P477 VanDerWaalsContact O-N 3.16Å; D475-I478 VanDerWaalsContact O-CB 3.3Å; D475-I478 WeakPolarHBondContact O-CB 3.16Å; D475-I478 PolarHBondContact O-N 2.9Å; D475-R599 VanDerWaalsContact CG-NH2 3.3Å; D475-R599 IonicContact OD1-CZ 3.65Å; D475-R599 IonicContact OD1-NE 3.89Å; D475-R599 PolarHBondContact OD1-NE 3.01Å; D475-R599 IonicContact OD1-NH2 3.53Å; D475-R599 PolarHBondContact OD1-NH2 3.1Å; D475-R599 IonicContact OD2-CZ 3.89Å; D475-R599 IonicContact OD2-NE 2.66Å; D475-R599 PolarHBondContact OD2-NE 2.79Å; D475-R599 VanDerWaalsContact OD2-NE 3.07Å; D475-R599 IonicContact OD2-NH2 2.95Å; D475-T600 VanDerWaalsContact OD1-CG2 3.31Å; D475-T600 WeakPolarHBondContact OD1-CG2 3.4Å
476	A	95	Very high	96.6	Very high	18 Å²	18	8.1 Å²	8.1	15%	0.149	4%	0.044	C	C	.	.	H	α-helix	trans	-50.1	-40.3	-177.6	0	0	0	0	0	115.8	F254 I478 V479 G480 T687	F254-A476 HydrophobicContact CD2-CB 4.3Å; F254-A476 HydrophobicContact CE2-CB 3.79Å; F254-A476 HydrophobicContact CZ-CB 4.13Å; A476-I478 PolarHBondContact O-N 3.13Å; A476-I478 VanDerWaalsContact O-N 3.16Å; A476-V479 PolarHBondContact O-N 3.44Å; A476-G480 PolarHBondContact O-N 3.25Å; A476-T687 HydrophobicContact CB-CG2 4.34Å
477	P	94.4	Very high	96.5	Very high	22 Å²	22	8.5 Å²	8.5	14%	0.143	5%	0.046	C	C	.	.	H	α-helix	trans	-60.6	-27.3	178.3	-24.7	35	0	0	0	114.1	D475 H481 Q691	D475-P477 VanDerWaalsContact C-CD 3.41Å; D475-P477 VanDerWaalsContact O-N 3.16Å; P477-H481 PolarHBondContact O-N 2.91Å; P477-H481 VanDerWaalsContact O-N 3.13Å; P477-Q691 PolarHBondContact O-NE2 2.84Å; P477-Q691 PolarHBondContact O-OE1 3.02Å
478	I	95.6	Very high	96.4	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-66.9	-44.7	178.1	-58.7	-59	0	0	0	110.7	Q306 M307 M310 W473 A474 D475 A476	Q306-I478 HydrophobicContact CB-CD1 3.97Å; Q306-I478 HydrophobicContact CB-CG1 3.78Å; Q306-I478 HydrophobicContact CB-CG2 4.25Å; Q306-I478 HydrophobicContact CG-CG1 4.44Å; M307-I478 HydrophobicContact CG-CD1 4.38Å; M307-I478 HydrophobicContact CG-CG2 4.1Å; M310-I478 HydrophobicContact CE-CG2 3.72Å; M310-I478 VanDerWaalsContact CE-O 3.24Å; M310-I478 WeakPolarHBondContact CE-O 3.36Å; W473-I478 HydrophobicContact CH2-CG2 4.43Å; W473-I478 HydrophobicContact CZ3-CG2 4.13Å; A474-I478 HydrophobicContact CB-CB 4.04Å; A474-I478 HydrophobicContact CB-CG1 4.24Å; A474-I478 HydrophobicContact CB-CG2 4.06Å; D475-I478 VanDerWaalsContact O-CB 3.3Å; D475-I478 WeakPolarHBondContact O-CB 3.16Å; D475-I478 PolarHBondContact O-N 2.9Å; A476-I478 PolarHBondContact O-N 3.13Å; A476-I478 VanDerWaalsContact O-N 3.16Å
479	V	96.4	Very high	96.4	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-75.4	-37.8	177.7	-173	0	0	0	0	110.7	F254 I256 I469 W473 A476 H481 M482 W483	F254-V479 HydrophobicContact CZ-CG2 4.34Å; I256-V479 HydrophobicContact CD1-CB 3.99Å; I256-V479 HydrophobicContact CD1-CG1 3.83Å; I469-V479 HydrophobicContact CD1-CG1 4.36Å; I469-V479 HydrophobicContact CG1-CB 4.47Å; I469-V479 HydrophobicContact CG1-CG1 3.98Å; I469-V479 HydrophobicContact CG1-CG2 4.19Å; I469-V479 HydrophobicContact CG2-CG2 3.99Å; W473-V479 HydrophobicContact CH2-CG2 3.82Å; W473-V479 HydrophobicContact CZ2-CG2 3.89Å; A476-V479 PolarHBondContact O-N 3.44Å; V479-H481 PolarHBondContact O-N 2.77Å; V479-M482 HydrophobicContact CG1-CE 4.09Å; V479-M482 WeakPolarHBondContact O-CB 3.39Å; V479-M482 PolarHBondContact O-N 3.14Å; V479-W483 PolarHBondContact O-N 3.14Å
480	G	95.2	Very high	96.3	Very high	6 Å²	6	8.7 Å²	8.7	6%	0.062	5%	0.047	C	C	.	.	H	α-helix	trans	-54.3	-38.9	174.3	0	0	0	0	0	112.8	A476 M482 W483 E484	A476-G480 PolarHBondContact O-N 3.25Å; G480-M482 PolarHBondContact O-N 2.97Å; G480-W483 PolarHBondContact O-N 3.22Å; G480-E484 WeakPolarHBondContact O-CG 3.44Å; G480-E484 PolarHBondContact O-N 2.88Å
481	H	95.8	Very high	96.2	Very high	7 Å²	7	9.7 Å²	9.7	3%	0.032	5%	0.054	C	C	.	.	H	α-helix	trans	-60.9	-43.1	174.8	179.3	-77.1	0	0	0	113	Y282 M307 P477 V479 Y485 I692	Y282-H481 AromaticContact CE2-CE1 3.73Å; Y282-H481 AromaticContact CE2-ND1 3.46Å; Y282-H481 WeakPolarHBondContact CE2-ND1 3.4Å; Y282-H481 AromaticContact CZ-ND1 3.56Å; Y282-H481 PolarHBondContact OH-CE1 3.32Å; Y282-H481 PolarHBondContact OH-ND1 3.47Å; M307-H481 HydrophobicContact CE-CB 4.13Å; M307-H481 WeakPolarHBondContact CE-ND1 3.24Å; P477-H481 PolarHBondContact O-N 2.91Å; P477-H481 VanDerWaalsContact O-N 3.13Å; V479-H481 PolarHBondContact O-N 2.77Å; H481-Y485 PolarHBondContact O-N 3.34Å; H481-I692 WeakPolarHBondContact CD2-CG2 3.45Å; H481-I692 WeakPolarHBondContact NE2-CG2 3.39Å
482	M	96.9	Very high	96	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.1	-44.8	174	178.4	-164.9	68.7	0	0	110.8	M279 Y282 M310 F311 F455 V479 G480 E484 Y485 V486	M279-M482 HydrophobicContact CE-CE 4.1Å; Y282-M482 HydrophobicContact CD1-CB 4.21Å; Y282-M482 HydrophobicContact CD1-CG 3.73Å; Y282-M482 HydrophobicContact CD2-CG 4.48Å; Y282-M482 HydrophobicContact CE1-CB 3.82Å; Y282-M482 HydrophobicContact CE1-CG 3.86Å; Y282-M482 HydrophobicContact CE2-CB 4.25Å; Y282-M482 HydrophobicContact CG-CG 4.05Å; M310-M482 HydrophobicContact CE-CB 4.01Å; M310-M482 HydrophobicContact CG-SD 4.19Å; M310-M482 HydrophobicContact SD-CB 3.63Å; M310-M482 HydrophobicContact SD-CG 3.88Å; M310-M482 HydrophobicContact SD-SD 3.53Å; F311-M482 HydrophobicContact CE1-SD 4.27Å; F311-M482 HydrophobicContact CE2-SD 4.21Å; F311-M482 HydrophobicContact CZ-SD 3.58Å; F311-M482 VanDerWaalsContact CZ-SD 3.58Å; F455-M482 HydrophobicContact CE2-CE 4.42Å; F455-M482 HydrophobicContact CZ-CE 4.36Å; F455-M482 HydrophobicContact CZ-SD 4.32Å; V479-M482 HydrophobicContact CG1-CE 4.09Å; V479-M482 WeakPolarHBondContact O-CB 3.39Å; V479-M482 PolarHBondContact O-N 3.14Å; G480-M482 PolarHBondContact O-N 2.97Å; M482-E484 PolarHBondContact O-N 3.02Å; M482-Y485 WeakPolarHBondContact O-CB 3.33Å; M482-Y485 PolarHBondContact O-N 3.15Å; M482-Y485 VanDerWaalsContact O-N 3.13Å; M482-V486 HydrophobicContact CG-CG2 4.09Å; M482-V486 WeakPolarHBondContact O-CB 3.25Å; M482-V486 VanDerWaalsContact O-CG2 3.3Å; M482-V486 WeakPolarHBondContact O-CG2 3.39Å; M482-V486 PolarHBondContact O-N 3.11Å
483	W	96.9	Very high	96	Very high	7 Å²	7	17.5 Å²	17.5	3%	0.027	9%	0.089	C	C	.	.	H	α-helix	trans	-63.2	-43.6	-175.2	-162.5	-123.7	0	0	0	112	I256 M257 M279 L457 M465 V467 V479 G480 Y485 V486 L487	I256-W483 VanDerWaalsContact CG2-CD1 3.43Å; I256-W483 HydrophobicContact CG2-CG 4.13Å; M257-W483 PolarHBondContact O-NE1 2.78Å; M279-W483 HydrophobicContact CE-CE3 4.25Å; M279-W483 HydrophobicContact CE-CZ3 3.76Å; L457-W483 HydrophobicContact CD1-CH2 4Å; L457-W483 HydrophobicContact CD1-CZ3 4.03Å; M465-W483 HydrophobicContact CB-CH2 4.26Å; V467-W483 HydrophobicContact CG2-CD2 3.98Å; V467-W483 HydrophobicContact CG2-CE3 3.5Å; V467-W483 HydrophobicContact CG2-CH2 3.62Å; V467-W483 HydrophobicContact CG2-CZ2 4.06Å; V467-W483 HydrophobicContact CG2-CZ3 3.31Å; V479-W483 PolarHBondContact O-N 3.14Å; G480-W483 PolarHBondContact O-N 3.22Å; W483-Y485 VanDerWaalsContact C-N 3.31Å; W483-Y485 PolarHBondContact O-N 3.1Å; W483-V486 HydrophobicContact CE3-CG1 4.44Å; W483-V486 HydrophobicContact CZ3-CG1 4.34Å; W483-V486 PolarHBondContact O-N 3.41Å; W483-L487 HydrophobicContact CD2-CG 4.36Å; W483-L487 HydrophobicContact CG-CD1 4.33Å; W483-L487 HydrophobicContact CZ2-CD2 4.09Å; W483-L487 WeakPolarHBondContact O-CG 3.5Å; W483-L487 PolarHBondContact O-N 3.5Å
484	E	95.2	Very high	96.1	Very high	20 Å²	20	18.8 Å²	18.8	9%	0.093	10%	0.096	C	C	.	.	H	α-helix	trans	-56.7	-43.9	171.9	-74.2	178.1	-158.1	0	0	112.1	G480 M482 A488 Q689 Q690 Q691 I692	G480-E484 WeakPolarHBondContact O-CG 3.44Å; G480-E484 PolarHBondContact O-N 2.88Å; M482-E484 PolarHBondContact O-N 3.02Å; E484-A488 VanDerWaalsContact O-CB 3.25Å; E484-A488 WeakPolarHBondContact O-CB 3.29Å; E484-A488 PolarHBondContact O-N 3.24Å; E484-A488 VanDerWaalsContact O-N 3.07Å; E484-Q689 WeakPolarHBondContact OE1-CA 3.41Å; E484-Q690 VanDerWaalsContact CD-N 3.3Å; E484-Q690 PolarHBondContact OE1-N 3.18Å; E484-Q690 VanDerWaalsContact OE2-C 3.32Å; E484-Q690 VanDerWaalsContact OE2-CA 3.3Å; E484-Q690 WeakPolarHBondContact OE2-CA 3.43Å; E484-Q690 PolarHBondContact OE2-N 3.46Å; E484-Q691 PolarHBondContact OE1-N 2.91Å; E484-Q691 VanDerWaalsContact OE1-N 3.16Å; E484-Q691 PolarHBondContact OE2-N 3.17Å; E484-I692 HydrophobicContact CB-CD1 3.71Å; E484-I692 HydrophobicContact CB-CG1 3.92Å; E484-I692 WeakPolarHBondContact OE2-CG1 3.29Å; E484-I692 PolarHBondContact OE2-N 3.48Å
485	Y	97	Very high	96.2	Very high	27 Å²	27	19.4 Å²	19.4	11%	0.106	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-45.2	178.4	177	-81.6	0	0	0	111.4	Q281 Y282 K285 H481 M482 W483 T489 I692 L694	Q281-Y485 HydrophobicContact CB-CE1 4.34Å; Y282-Y485 AromaticContact CD2-CD1 3.71Å; Y282-Y485 HydrophobicContact CD2-CD1 3.71Å; Y282-Y485 HydrophobicContact CD2-CD2 4.07Å; Y282-Y485 HydrophobicContact CD2-CE1 4.37Å; Y282-Y485 AromaticContact CD2-CG 3.56Å; Y282-Y485 HydrophobicContact CD2-CG 3.56Å; Y282-Y485 HydrophobicContact CE2-CG 4.36Å; Y282-Y485 HydrophobicContact CG-CD1 4.14Å; Y282-Y485 HydrophobicContact CG-CG 4.43Å; K285-Y485 HydrophobicContact CD-CE2 4.12Å; K285-Y485 WeakPolarHBondContact CE-OH 3.36Å; H481-Y485 PolarHBondContact O-N 3.34Å; M482-Y485 WeakPolarHBondContact O-CB 3.33Å; M482-Y485 PolarHBondContact O-N 3.15Å; M482-Y485 VanDerWaalsContact O-N 3.13Å; W483-Y485 VanDerWaalsContact C-N 3.31Å; W483-Y485 PolarHBondContact O-N 3.1Å; Y485-T489 WeakPolarHBondContact CE1-OG1 3.38Å; Y485-T489 VanDerWaalsContact O-CB 3.27Å; Y485-T489 WeakPolarHBondContact O-CB 3.3Å; Y485-T489 PolarHBondContact O-N 3.24Å; Y485-T489 PolarHBondContact O-OG1 3.46Å; Y485-I692 VanDerWaalsContact N-CD1 3.31Å; Y485-L694 HydrophobicContact CD2-CD1 3.86Å; Y485-L694 HydrophobicContact CG-CD1 4.44Å
486	V	97.6	Very high	96.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.8	-50.6	-175.8	166.2	0	0	0	0	110.4	I275 A278 M279 M482 W483 A488 T489 D490	I275-V486 HydrophobicContact CB-CG1 4.41Å; I275-V486 HydrophobicContact CD1-CG1 3.53Å; I275-V486 HydrophobicContact CG2-CG1 3.77Å; A278-V486 HydrophobicContact CB-CB 4.48Å; A278-V486 HydrophobicContact CB-CG1 4.2Å; A278-V486 HydrophobicContact CB-CG2 4.41Å; M279-V486 HydrophobicContact CB-CG2 4.42Å; M279-V486 HydrophobicContact CG-CG1 4.31Å; M279-V486 HydrophobicContact CG-CG2 3.62Å; M482-V486 HydrophobicContact CG-CG2 4.09Å; M482-V486 WeakPolarHBondContact O-CB 3.25Å; M482-V486 VanDerWaalsContact O-CG2 3.3Å; M482-V486 WeakPolarHBondContact O-CG2 3.39Å; M482-V486 PolarHBondContact O-N 3.11Å; W483-V486 HydrophobicContact CE3-CG1 4.44Å; W483-V486 HydrophobicContact CZ3-CG1 4.34Å; W483-V486 PolarHBondContact O-N 3.41Å; V486-A488 PolarHBondContact O-N 3.06Å; V486-T489 PolarHBondContact O-N 2.82Å; V486-D490 VanDerWaalsContact O-CB 3.23Å; V486-D490 WeakPolarHBondContact O-CB 3.5Å; V486-D490 PolarHBondContact O-N 3.38Å
487	L	96.5	Very high	96.4	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-42.7	178.4	-66.2	-179.9	0	0	0	111.9	D258 L259 I275 W483 C491	D258-L487 WeakPolarHBondContact OD1-CD2 3.44Å; L259-L487 HydrophobicContact CD2-CD1 3.99Å; L259-L487 HydrophobicContact CG-CD1 4.15Å; L259-L487 HydrophobicContact CG-CD2 4.4Å; I275-L487 HydrophobicContact CD1-CD2 4.38Å; W483-L487 HydrophobicContact CD2-CG 4.36Å; W483-L487 HydrophobicContact CG-CD1 4.33Å; W483-L487 HydrophobicContact CZ2-CD2 4.09Å; W483-L487 WeakPolarHBondContact O-CG 3.5Å; W483-L487 PolarHBondContact O-N 3.5Å; L487-C491 WeakPolarHBondContact O-CB 3.45Å; L487-C491 PolarHBondContact O-N 3.49Å; L487-C491 VanDerWaalsContact O-N 3.1Å; L487-C491 PolarHBondContact O-SG 2.92Å; L487-C491 VanDerWaalsContact O-SG 3.4Å
488	A	96.1	Very high	96.4	Very high	3 Å²	3	31 Å²	31	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-46.3	177.6	0	0	0	0	0	112.2	E484 V486 D490 C491 F492 L694 I695	E484-A488 VanDerWaalsContact O-CB 3.25Å; E484-A488 WeakPolarHBondContact O-CB 3.29Å; E484-A488 PolarHBondContact O-N 3.24Å; E484-A488 VanDerWaalsContact O-N 3.07Å; V486-A488 PolarHBondContact O-N 3.06Å; A488-D490 VanDerWaalsContact C-N 3.34Å; A488-D490 PolarHBondContact O-N 2.78Å; A488-C491 PolarHBondContact O-N 3.31Å; A488-F492 WeakPolarHBondContact O-CB 3.35Å; A488-F492 WeakPolarHBondContact O-CD2 3.24Å; A488-F492 PolarHBondContact O-N 2.81Å; A488-L694 HydrophobicContact CB-CB 3.71Å; A488-L694 HydrophobicContact CB-CD1 4.14Å; A488-I695 HydrophobicContact CB-CD1 3.99Å; A488-I695 HydrophobicContact CB-CG1 3.68Å
489	T	97.6	Very high	96.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-44	-179.2	-58.6	0	0	0	0	111	A278 Y485 V486 H493 L494	A278-T489 HydrophobicContact CB-CG2 4Å; Y485-T489 WeakPolarHBondContact CE1-OG1 3.38Å; Y485-T489 VanDerWaalsContact O-CB 3.27Å; Y485-T489 WeakPolarHBondContact O-CB 3.3Å; Y485-T489 PolarHBondContact O-N 3.24Å; Y485-T489 PolarHBondContact O-OG1 3.46Å; V486-T489 PolarHBondContact O-N 2.82Å; T489-H493 HydrophobicContact CG2-CB 4.18Å; T489-H493 CarbonylContact O-C 3.47Å; T489-H493 WeakPolarHBondContact O-CA 3.48Å; T489-H493 VanDerWaalsContact O-CB 3.29Å; T489-H493 WeakPolarHBondContact O-CB 3.47Å; T489-H493 PolarHBondContact O-N 2.91Å; T489-L494 HydrophobicContact CG2-CD1 4.41Å; T489-L494 HydrophobicContact CG2-CG 4.22Å; T489-L494 PolarHBondContact O-N 3.07Å
490	D	97.4	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-59.4	-51.6	177.6	158	74.8	0	0	0	112.1	R271 N274 I275 V486 A488 G495 Y496	R271-D490 IonicContact CZ-OD1 3.78Å; R271-D490 IonicContact CZ-OD2 2.75Å; R271-D490 IonicContact NH1-OD1 3.05Å; R271-D490 PolarHBondContact NH1-OD1 3.32Å; R271-D490 IonicContact NH1-OD2 3.51Å; R271-D490 PolarHBondContact NH1-OD2 3.42Å; R271-D490 IonicContact NH2-OD2 3.36Å; R271-D490 PolarHBondContact NH2-OD2 3.07Å; N274-D490 WeakPolarHBondContact CB-OD1 3.26Å; N274-D490 PolarHBondContact ND2-OD1 3.36Å; I275-D490 HydrophobicContact CD1-CB 3.69Å; I275-D490 HydrophobicContact CG1-CB 4.45Å; V486-D490 VanDerWaalsContact O-CB 3.23Å; V486-D490 WeakPolarHBondContact O-CB 3.5Å; V486-D490 PolarHBondContact O-N 3.38Å; A488-D490 VanDerWaalsContact C-N 3.34Å; A488-D490 PolarHBondContact O-N 2.78Å; D490-G495 PolarHBondContact O-N 3.07Å; D490-Y496 PolarHBondContact OD1-OH 3Å
491	C	94.9	Very high	96.6	Very high	23 Å²	23	39.7 Å²	39.7	16%	0.155	20%	0.195	C	C	.	.	I	π-helix	trans	-72.3	-40.4	-175.9	-71.4	0	0	0	0	113.6	P264 L487 A488 Y703	P264-C491 WeakPolarHBondContact CG-SG 3.46Å; L487-C491 WeakPolarHBondContact O-CB 3.45Å; L487-C491 PolarHBondContact O-N 3.49Å; L487-C491 VanDerWaalsContact O-N 3.1Å; L487-C491 PolarHBondContact O-SG 2.92Å; L487-C491 VanDerWaalsContact O-SG 3.4Å; A488-C491 PolarHBondContact O-N 3.31Å; C491-Y703 HydrophobicContact CB-CD1 4.11Å; C491-Y703 HydrophobicContact CB-CE1 3.84Å
492	F	95.3	Very high	96.7	Very high	70 Å²	70	39.7 Å²	39.7	31%	0.307	20%	0.195	S	C	.	.	I	π-helix	trans	-109.1	-15.8	-167.3	-62.7	-75.2	0	0	0	114.5	A488 I695 F700 Y703	A488-F492 WeakPolarHBondContact O-CB 3.35Å; A488-F492 WeakPolarHBondContact O-CD2 3.24Å; A488-F492 PolarHBondContact O-N 2.81Å; F492-I695 HydrophobicContact CD2-CG1 4.37Å; F492-I695 HydrophobicContact CE2-CD1 4.11Å; F492-I695 HydrophobicContact CE2-CG1 3.9Å; F492-I695 HydrophobicContact CE2-CG2 4.07Å; F492-I695 HydrophobicContact CZ-CG2 4.34Å; F492-F700 HydrophobicContact CD1-CE2 4.49Å; F492-F700 HydrophobicContact CD1-CZ 4.4Å; F492-F700 AromaticContact CE1-CD1 3.83Å; F492-F700 HydrophobicContact CE1-CD1 3.83Å; F492-F700 AromaticContact CE1-CD2 3.87Å; F492-F700 HydrophobicContact CE1-CD2 3.87Å; F492-F700 AromaticContact CE1-CE1 3.76Å; F492-F700 HydrophobicContact CE1-CE1 3.76Å; F492-F700 AromaticContact CE1-CE2 3.78Å; F492-F700 HydrophobicContact CE1-CE2 3.78Å; F492-F700 AromaticContact CE1-CG 3.88Å; F492-F700 HydrophobicContact CE1-CG 3.88Å; F492-F700 AromaticContact CE1-CZ 3.72Å; F492-F700 HydrophobicContact CE1-CZ 3.72Å; F492-F700 HydrophobicContact CZ-CB 4.15Å; F492-F700 HydrophobicContact CZ-CD1 4.09Å; F492-F700 AromaticContact CZ-CD2 3.9Å; F492-F700 HydrophobicContact CZ-CD2 3.9Å; F492-F700 HydrophobicContact CZ-CE1 4.47Å; F492-F700 HydrophobicContact CZ-CE2 4.28Å; F492-F700 AromaticContact CZ-CG 3.78Å; F492-F700 HydrophobicContact CZ-CG 3.78Å; F492-Y703 AromaticContact CE2-CD1 3.89Å; F492-Y703 HydrophobicContact CE2-CD1 3.89Å; F492-Y703 HydrophobicContact CE2-CE1 4.32Å; F492-Y703 HydrophobicContact CE2-CG 4.28Å; F492-Y703 AromaticContact CZ-CD1 3.69Å; F492-Y703 HydrophobicContact CZ-CD1 3.69Å; F492-Y703 HydrophobicContact CZ-CD2 4.23Å; F492-Y703 AromaticContact CZ-CE1 3.91Å; F492-Y703 HydrophobicContact CZ-CE1 3.91Å; F492-Y703 HydrophobicContact CZ-CE2 4.41Å; F492-Y703 AromaticContact CZ-CG 3.85Å; F492-Y703 HydrophobicContact CZ-CG 3.85Å
493	H	96.4	Very high	96.7	Very high	136 Å²	136	45.2 Å²	45.2	63%	0.63	22%	0.219	S	C	*	.	I	π-helix	trans	-116.3	-42.9	-179.2	-56.8	154.4	0	0	0	113.6	T489	T489-H493 HydrophobicContact CG2-CB 4.18Å; T489-H493 CarbonylContact O-C 3.47Å; T489-H493 WeakPolarHBondContact O-CA 3.48Å; T489-H493 VanDerWaalsContact O-CB 3.29Å; T489-H493 WeakPolarHBondContact O-CB 3.47Å; T489-H493 PolarHBondContact O-N 2.91Å
494	L	97.4	Very high	96.5	Very high	31 Å²	31	47.3 Å²	47.3	16%	0.162	24%	0.243	C	C	.	.	I	π-helix	trans	-85.1	-58.3	-179.1	-59.6	179.2	0	0	0	110.7	N274 H277 A278 P355 T489	N274-L494 HydrophobicContact CB-CD1 4.03Å; N274-L494 WeakPolarHBondContact O-CD1 3.28Å; H277-L494 HydrophobicContact CB-CD1 4.44Å; A278-L494 HydrophobicContact CB-CD1 4.25Å; P355-L494 HydrophobicContact CG-CD1 4.43Å; P355-L494 HydrophobicContact CG-CD2 4.35Å; T489-L494 HydrophobicContact CG2-CD1 4.41Å; T489-L494 HydrophobicContact CG2-CG 4.22Å; T489-L494 PolarHBondContact O-N 3.07Å
495	G	96.1	Very high	96.2	Very high	13 Å²	13	53.2 Å²	53.2	13%	0.134	28%	0.276	C	S	.	.			trans	60.4	-169.7	-177.6	0	0	0	0	0	113.7	N274 D490	N274-G495 PolarHBondContact ND2-O 2.85Å; D490-G495 PolarHBondContact O-N 3.07Å
496	Y	98.1	Very high	95.8	Very high	30 Å²	30	54.7 Å²	54.7	12%	0.118	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-136.2	161.7	-174.7	-61.3	-84.6	0	0	0	111.1	P264 T265 A270 R271 N274 D490 G500 H501 K503	P264-Y496 HydrophobicContact CB-CD2 3.92Å; P264-Y496 HydrophobicContact CB-CE2 3.47Å; P264-Y496 VanDerWaalsContact CB-CE2 3.47Å; T265-Y496 HydrophobicContact CG2-CD1 3.83Å; T265-Y496 HydrophobicContact CG2-CD2 4.46Å; T265-Y496 HydrophobicContact CG2-CE1 3.4Å; T265-Y496 VanDerWaalsContact CG2-CE1 3.4Å; T265-Y496 HydrophobicContact CG2-CE2 4.11Å; T265-Y496 HydrophobicContact CG2-CG 4.33Å; A270-Y496 HydrophobicContact CB-CD1 4.29Å; A270-Y496 HydrophobicContact CB-CE1 4.08Å; R271-Y496 WeakPolarHBondContact CA-OH 3.5Å; R271-Y496 PolarHBondContact NH1-OH 2.98Å; N274-Y496 HydrophobicContact CB-CE1 4.25Å; N274-Y496 WeakPolarHBondContact CB-OH 3.21Å; N274-Y496 VanDerWaalsContact ND2-CE1 3.32Å; N274-Y496 WeakPolarHBondContact ND2-CE1 3.33Å; N274-Y496 PolarHBondContact ND2-OH 3.34Å; D490-Y496 PolarHBondContact OD1-OH 3Å; Y496-G500 WeakPolarHBondContact CD1-O 3.39Å; Y496-H501 CarbonylContact C-O 3.43Å; Y496-H501 VanDerWaalsContact CA-O 3.27Å; Y496-H501 WeakPolarHBondContact CA-O 3.42Å; Y496-K503 VanDerWaalsContact C-CE 3.48Å; Y496-K503 WeakPolarHBondContact O-CE 3.18Å
497	T	97.4	Very high	95.2	Very high	60 Å²	60	57.3 Å²	57.3	37%	0.368	30%	0.301	S	S	.	.			trans	-70.7	170.6	166.8	67.6	0	0	0	0	110.5	E499 G500 H501 K503	T497-E499 PolarHBondContact O-N 2.76Å; T497-G500 PolarHBondContact O-N 3.44Å; T497-H501 HydrophobicContact CG2-CB 4.44Å; T497-H501 PolarHBondContact N-O 3.08Å; T497-H501 WeakPolarHBondContact OG1-CB 3.36Å; T497-H501 PolarHBondContact OG1-N 3.1Å; T497-H501 VanDerWaalsContact OG1-N 3.09Å; T497-K503 HydrophobicContact CG2-CG 4.29Å
498	E	95.3	Very high	94.3	Very high	206 Å²	206	68 Å²	68	96%	0.963	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.8	176.8	-64.7	-177.2	173.6	0	0	112.4	G500	E498-G500 PolarHBondContact O-N 3.02Å
499	E	95.9	Very high	93.6	Very high	132 Å²	132	72.7 Å²	72.7	62%	0.617	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-0.5	175.9	-62.8	176.8	-176.2	0	0	113.7	R267 T497 H501	R267-E499 PolarHBondContact NE-O 2.82Å; T497-E499 PolarHBondContact O-N 2.76Å; E499-H501 IonicContact OE2-CD2 2.67Å
500	G	97	Very high	93.1	Very high	6 Å²	6	73.7 Å²	73.7	6%	0.062	38%	0.378	C	S	.	.	S	Bend	trans	84.2	10.6	178.4	0	0	0	0	0	115.5	T265 A270 Y496 T497 E498	T265-G500 WeakPolarHBondContact OG1-CA 3.38Å; T265-G500 PolarHBondContact OG1-O 2.73Å; A270-G500 VanDerWaalsContact CB-O 3.28Å; A270-G500 WeakPolarHBondContact CB-O 3.35Å; Y496-G500 WeakPolarHBondContact CD1-O 3.39Å; T497-G500 PolarHBondContact O-N 3.44Å; E498-G500 PolarHBondContact O-N 3.02Å
501	H	98.2	Very high	92.6	Very high	55 Å²	55	77.7 Å²	77.7	26%	0.255	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-80.5	157.8	176.1	-69.7	-70.6	0	0	0	111.9	R267 E359 Y496 T497 E499	R267-H501 PolarHBondContact NE-CE1 3.05Å; R267-H501 PolarHBondContact NE-NE2 3.23Å; R267-H501 PolarHBondContact NH1-CE1 3Å; R267-H501 PolarHBondContact NH2-NE2 3.26Å; E359-H501 IonicContact OE1-CE1 2.71Å; E359-H501 IonicContact OE1-CG 2.64Å; E359-H501 IonicContact OE1-ND1 3.69Å; E359-H501 PolarHBondContact OE1-ND1 2.93Å; E359-H501 IonicContact OE2-ND1 3.54Å; Y496-H501 CarbonylContact C-O 3.43Å; Y496-H501 VanDerWaalsContact CA-O 3.27Å; Y496-H501 WeakPolarHBondContact CA-O 3.42Å; T497-H501 HydrophobicContact CG2-CB 4.44Å; T497-H501 PolarHBondContact N-O 3.08Å; T497-H501 WeakPolarHBondContact OG1-CB 3.36Å; T497-H501 PolarHBondContact OG1-N 3.1Å; T497-H501 VanDerWaalsContact OG1-N 3.09Å; E499-H501 IonicContact OE2-CD2 2.67Å
502	C	98.1	Very high	92.5	Very high	6 Å²	6	80.2 Å²	80.2	4%	0.041	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-60.9	141	169.2	-76.3	0	0	0	0	110.7	A270 N274 P355 E359	A270-C502 PolarHBondContact O-SG 2.85Å; N274-C502 PolarHBondContact OD1-SG 2.77Å; N274-C502 VanDerWaalsContact OD1-SG 3.38Å; P355-C502 VanDerWaalsContact C-CB 3.5Å; P355-C502 HydrophobicContact CB-CB 3.81Å; P355-C502 PolarHBondContact O-SG 3.18Å; P355-C502 VanDerWaalsContact O-SG 3.38Å; E359-C502 HydrophobicContact CB-CB 4.36Å; E359-C502 WeakPolarHBondContact OE2-CB 3.38Å; E359-C502 PolarHBondContact OE2-N 2.84Å
503	K	96.6	Very high	92.6	Very high	116 Å²	116	78 Å²	78	50%	0.504	41%	0.414	S	S	.	.	S	Bend	trans	-74.2	145.4	175	-61.7	-176.1	-176.2	175.5	0	111.6	Y496 T497	Y496-K503 VanDerWaalsContact C-CE 3.48Å; Y496-K503 WeakPolarHBondContact O-CE 3.18Å; T497-K503 HydrophobicContact CG2-CG 4.29Å
504	G	92.1	Very high	92.6	Very high	51 Å²	51	73.7 Å²	73.7	53%	0.526	40%	0.398	S	S	.	.	S	Bend	trans	106.4	160.7	172.4	0	0	0	0	0	114.1	S356	S356-G504 WeakPolarHBondContact CB-O 3.49Å; S356-G504 PolarHBondContact OG-O 3.28Å
505	D	89	Confident	92.7	Very high	145 Å²	145	74.6 Å²	74.6	78%	0.775	40%	0.399	S	S	*	.			trans	-75.4	147.5	-175	-57.2	-47.8	0	0	0	112.9	S356	S356-D505 PolarHBondContact OG-O 3.33Å
506	V	87.8	Confident	92.8	Very high	58 Å²	58	74.3 Å²	74.3	35%	0.352	39%	0.394	S	S	.	.			trans	-95.5	123.2	177.9	-178.4	0	0	0	0	110	N360 R508	N360-V506 HydrophobicContact CB-CG1 4.01Å; V506-R508 PolarHBondContact O-N 3.45Å
507	N	85.3	Confident	92.7	Very high	55 Å²	55	79.8 Å²	79.8	29%	0.294	42%	0.419	S	S	.	.			trans	-73.5	110.4	165.4	-176.7	-1.9	0	0	0	109.9	E357 C509 L510	E357-N507 WeakPolarHBondContact OE1-CB 3.14Å; N507-C509 PolarHBondContact O-N 3.39Å; N507-C509 WeakPolarHBondContact OD1-CB 3.49Å; N507-C509 PolarHBondContact OD1-N 2.86Å; N507-L510 HydrophobicContact CB-CD1 4.36Å; N507-L510 HydrophobicContact CB-CG 4.1Å; N507-L510 WeakPolarHBondContact O-CG 3.38Å
508	R	78.7	Confident	92.8	Very high	233 Å²	233	77.5 Å²	77.5	88%	0.879	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.8	-179.2	-62.9	-175.8	-179.2	-179.9	-0.2	113.9	V506 L510	V506-R508 PolarHBondContact O-N 3.45Å; R508-L510 VanDerWaalsContact C-N 3.29Å; R508-L510 PolarHBondContact O-N 2.99Å
509	C	81.4	Confident	92.8	Very high	101 Å²	101	74 Å²	74	68%	0.682	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	12.7	179.7	-57.2	0	0	0	0	113.2	N507	N507-C509 PolarHBondContact O-N 3.39Å; N507-C509 WeakPolarHBondContact OD1-CB 3.49Å; N507-C509 PolarHBondContact OD1-N 2.86Å
510	L	87.6	Confident	92.9	Very high	20 Å²	20	68.3 Å²	68.3	11%	0.105	36%	0.361	C	S	.	.	S	Bend	trans	-72	140.5	176.4	-69.3	174.6	0	0	0	110.9	T348 L353 E357 N507 R508 S512	T348-L510 HydrophobicContact CG2-CD2 4.06Å; L353-L510 HydrophobicContact CD2-CD1 4.07Å; L353-L510 HydrophobicContact CD2-CD2 3.9Å; E357-L510 HydrophobicContact CB-CD1 3.6Å; E357-L510 HydrophobicContact CG-CD1 3.67Å; N507-L510 HydrophobicContact CB-CD1 4.36Å; N507-L510 HydrophobicContact CB-CG 4.1Å; N507-L510 WeakPolarHBondContact O-CG 3.38Å; R508-L510 VanDerWaalsContact C-N 3.29Å; R508-L510 PolarHBondContact O-N 2.99Å; L510-S512 PolarHBondContact O-N 3.03Å
511	P	86.9	Confident	93	Very high	85 Å²	85	70.5 Å²	70.5	55%	0.552	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-64.7	137.1	174.6	27.6	-33.6	0	0	0	110	Q361	Q361-P511 PolarHBondContact NE2-O 3.37Å
512	S	92.3	Very high	92.9	Very high	76 Å²	76	74.5 Å²	74.5	53%	0.531	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-61.9	154.3	176	-69.6	0	0	0	0	112	Q364 L510 T514	Q364-S512 PolarHBondContact OE1-OG 2.78Å; L510-S512 PolarHBondContact O-N 3.03Å; S512-T514 PolarHBondContact O-N 2.93Å
513	P	97	Very high	92.9	Very high	22 Å²	22	79.6 Å²	79.6	14%	0.143	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-50.6	132.7	172	-28.5	37.4	0	0	0	112.2	F342 V344 Q361 I365	F342-P513 HydrophobicContact CB-CB 4.28Å; F342-P513 HydrophobicContact CD1-CB 4.42Å; V344-P513 HydrophobicContact CG2-CB 4Å; V344-P513 HydrophobicContact CG2-CG 4.2Å; Q361-P513 HydrophobicContact CB-CG 4.23Å; Q361-P513 WeakPolarHBondContact O-CG 3.41Å; I365-P513 HydrophobicContact CD1-CB 3.91Å; I365-P513 HydrophobicContact CD1-CG 3.97Å; I365-P513 HydrophobicContact CG1-CB 3.85Å; I365-P513 HydrophobicContact CG1-CG 3.82Å
514	T	97.4	Very high	93	Very high	47 Å²	47	74 Å²	74	29%	0.288	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.9	-178.2	-57.5	0	0	0	0	110.2	Q6 F342 Q343 S512 L516	Q6-T514 PolarHBondContact NE2-OG1 3.42Å; F342-T514 CarbonylContact C-O 3.47Å; F342-T514 WeakPolarHBondContact CA-O 3.38Å; Q343-T514 PolarHBondContact N-O 3.05Å; Q343-T514 PolarHBondContact O-N 2.85Å; S512-T514 PolarHBondContact O-N 2.93Å; T514-L516 PolarHBondContact O-N 2.83Å
515	R	97.9	Very high	93.3	Very high	49 Å²	49	74.6 Å²	74.6	19%	0.185	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124	175.1	-170.6	71.1	179.4	76.3	15.9	110.9	R340 Y341 F342 E376	R340-R515 VanDerWaalsContact CB-CZ 3.43Å; R340-R515 VanDerWaalsContact CG-NH2 3.31Å; Y341-R515 PolarHBondContact O-NH1 3.29Å; F342-R515 HydrophobicContact CD1-CB 4.44Å; F342-R515 HydrophobicContact CE1-CB 4.48Å; F342-R515 HydrophobicContact CE1-CG 4.48Å; E376-R515 IonicContact OE1-CZ 2.75Å; E376-R515 IonicContact OE1-NH1 3.07Å; E376-R515 PolarHBondContact OE1-NH1 3.22Å; E376-R515 IonicContact OE1-NH2 3.61Å; E376-R515 PolarHBondContact OE1-NH2 2.94Å; E376-R515 IonicContact OE2-CZ 3.97Å; E376-R515 IonicContact OE2-NH1 3.24Å; E376-R515 IonicContact OE2-NH2 2.9Å; E376-R515 PolarHBondContact OE2-NH2 3.19Å
516	L	98.3	Very high	93.8	Very high	7 Å²	7	72.5 Å²	72.5	4%	0.037	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-70	146.3	173.4	-60	-167.7	0	0	0	110.7	V334 Y341 Q343 A409 I410 T514 W518	V334-L516 HydrophobicContact CG1-CD1 4.27Å; V334-L516 HydrophobicContact CG2-CD1 4.43Å; Y341-L516 PolarHBondContact O-N 3.46Å; Q343-L516 HydrophobicContact CB-CD2 4.01Å; A409-L516 HydrophobicContact CB-CD1 4.37Å; A409-L516 HydrophobicContact CB-CD2 4.06Å; I410-L516 HydrophobicContact CD1-CD1 4.3Å; I410-L516 HydrophobicContact CG1-CD1 3.99Å; T514-L516 PolarHBondContact O-N 2.83Å; L516-W518 HydrophobicContact CB-CZ2 4.44Å; L516-W518 HydrophobicContact CD1-CZ2 4.26Å
517	K	97.4	Very high	94.3	Very high	145 Å²	145	71.7 Å²	71.7	63%	0.63	36%	0.364	S	S	*	.			trans	-115.4	141.6	-175.4	-62.9	-177.9	-179.3	-179.8	0	110.7	P402 S406	P402-K517 HydrophobicContact CB-CB 4.41Å; S406-K517 WeakPolarHBondContact CB-O 3.16Å; S406-K517 PolarHBondContact OG-N 3.11Å; S406-K517 VanDerWaalsContact OG-N 3.09Å; S406-K517 PolarHBondContact OG-O 3.2Å
518	W	97.8	Very high	94.9	Very high	13 Å²	13	69.2 Å²	69.2	5%	0.049	35%	0.351	C	S	.	.			trans	-137.6	140.9	-174.5	-54.5	101.8	0	0	0	111.1	Y341 Q373 E376 L379 F398 N403 S406 I410 L516 I520	Y341-W518 HydrophobicContact CD2-CZ2 4.35Å; Y341-W518 AromaticContact CD2-NE1 3.82Å; Y341-W518 HydrophobicContact CG-CZ2 4.43Å; Q373-W518 PolarHBondContact OE1-O 3.04Å; E376-W518 HydrophobicContact CG-CG 4.39Å; E376-W518 PolarHBondContact OE1-NE1 2.77Å; E376-W518 VanDerWaalsContact OE1-NE1 3.13Å; L379-W518 HydrophobicContact CD2-CD2 3.78Å; L379-W518 HydrophobicContact CD2-CE3 3.83Å; L379-W518 HydrophobicContact CD2-CH2 3.59Å; L379-W518 HydrophobicContact CD2-CZ2 3.52Å; L379-W518 HydrophobicContact CD2-CZ3 3.75Å; F398-W518 HydrophobicContact CD1-CE3 4.37Å; F398-W518 AromaticContact CD1-CZ3 3.84Å; F398-W518 HydrophobicContact CD1-CZ3 3.84Å; F398-W518 AromaticContact CE1-CE3 3.83Å; F398-W518 HydrophobicContact CE1-CE3 3.83Å; F398-W518 AromaticContact CE1-CZ3 3.57Å; F398-W518 HydrophobicContact CE1-CZ3 3.57Å; N403-W518 HydrophobicContact CB-CE3 4.44Å; N403-W518 WeakPolarHBondContact OD1-CA 3.45Å; S406-W518 VanDerWaalsContact CB-CH2 3.41Å; I410-W518 HydrophobicContact CD1-CH2 3.85Å; I410-W518 HydrophobicContact CD1-CZ2 3.86Å; L516-W518 HydrophobicContact CB-CZ2 4.44Å; L516-W518 HydrophobicContact CD1-CZ2 4.26Å; W518-I520 HydrophobicContact CB-CD1 3.94Å; W518-I520 HydrophobicContact CB-CG1 3.9Å; W518-I520 HydrophobicContact CG-CD1 4.35Å
519	E	96.9	Very high	95.9	Very high	133 Å²	133	62.4 Å²	62.4	62%	0.621	33%	0.329	S	S	*	.			trans	-122.2	82.3	170.8	-72.6	178.1	-179.8	0	0	107.2	P402 N403 P521	P402-E519 HydrophobicContact CG-CB 4.13Å; P402-E519 HydrophobicContact CG-CG 3.61Å; N403-E519 PolarHBondContact ND2-O 2.93Å; N403-E519 PolarHBondContact OD1-N 3.15Å; E519-P521 VanDerWaalsContact O-CD 3.24Å; E519-P521 WeakPolarHBondContact O-CD 3.41Å
520	I	97.6	Very high	96.7	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.062	32%	0.319	C	S	.	.			trans	-99.8	102.1	-173.8	-55.3	171.9	0	0	0	108.6	L379 W518 C524 Q525 I528	L379-I520 HydrophobicContact CD1-CD1 4.13Å; L379-I520 HydrophobicContact CD2-CD1 4.32Å; W518-I520 HydrophobicContact CB-CD1 3.94Å; W518-I520 HydrophobicContact CB-CG1 3.9Å; W518-I520 HydrophobicContact CG-CD1 4.35Å; I520-C524 HydrophobicContact CG2-CB 3.77Å; I520-Q525 HydrophobicContact CB-CG 4.47Å; I520-Q525 HydrophobicContact CG2-CG 3.66Å; I520-Q525 PolarHBondContact O-NE2 3Å; I520-I528 HydrophobicContact CD1-CD1 4.45Å; I520-I528 HydrophobicContact CG2-CD1 3.78Å
521	P	97.6	Very high	97.2	Very high	51 Å²	51	59.7 Å²	59.7	33%	0.331	32%	0.316	S	S	.	.			trans	-67.1	156.7	179.3	29.8	-35.8	0	0	0	110.9	Y397 E519 Q523 C524 Q525	Y397-P521 HydrophobicContact CD1-CG 3.54Å; Y397-P521 HydrophobicContact CE1-CG 3.5Å; E519-P521 VanDerWaalsContact O-CD 3.24Å; E519-P521 WeakPolarHBondContact O-CD 3.41Å; P521-Q523 VanDerWaalsContact C-N 3.27Å; P521-Q523 PolarHBondContact O-N 3Å; P521-C524 HydrophobicContact CG-CB 3.99Å; P521-C524 WeakPolarHBondContact O-CA 3.2Å; P521-C524 VanDerWaalsContact O-CB 3.3Å; P521-C524 WeakPolarHBondContact O-CB 3.39Å; P521-C524 PolarHBondContact O-N 3.17Å; P521-Q525 PolarHBondContact O-N 2.83Å; P521-Q525 VanDerWaalsContact O-N 3.14Å
522	E	97.9	Very high	97.8	Very high	140 Å²	140	57.5 Å²	57.5	65%	0.654	30%	0.297	S	S	*	.	H	α-helix	trans	-51.1	-42.8	-176.3	-169.9	175.4	-167.1	0	0	112.9	C524 Q525 D526	E522-C524 PolarHBondContact O-N 3.03Å; E522-Q525 WeakPolarHBondContact O-CA 3.3Å; E522-Q525 VanDerWaalsContact O-CB 3.3Å; E522-Q525 WeakPolarHBondContact O-CB 3.32Å; E522-Q525 PolarHBondContact O-N 3.31Å; E522-D526 PolarHBondContact O-N 3.45Å
523	Q	97.9	Very high	98.1	Very high	112 Å²	112	58.2 Å²	58.2	52%	0.523	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-27.3	178.7	-54	86.9	7.4	0	0	113.2	Y397 P521	Y397-Q523 WeakPolarHBondContact OH-CB 3.11Å; P521-Q523 VanDerWaalsContact C-N 3.27Å; P521-Q523 PolarHBondContact O-N 3Å
524	C	98.4	Very high	98.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-76	-35.9	172.5	-173.1	0	0	0	0	110.7	Y397 I520 P521 E522 D526 V527 I528	Y397-C524 HydrophobicContact CD1-CB 3.97Å; Y397-C524 HydrophobicContact CD2-CB 3.79Å; Y397-C524 HydrophobicContact CE1-CB 4.07Å; Y397-C524 HydrophobicContact CE2-CB 3.89Å; Y397-C524 HydrophobicContact CG-CB 3.82Å; I520-C524 HydrophobicContact CG2-CB 3.77Å; P521-C524 HydrophobicContact CG-CB 3.99Å; P521-C524 WeakPolarHBondContact O-CA 3.2Å; P521-C524 VanDerWaalsContact O-CB 3.3Å; P521-C524 WeakPolarHBondContact O-CB 3.39Å; P521-C524 PolarHBondContact O-N 3.17Å; E522-C524 PolarHBondContact O-N 3.03Å; C524-D526 VanDerWaalsContact C-N 3.3Å; C524-D526 PolarHBondContact O-N 2.99Å; C524-V527 PolarHBondContact O-N 3.4Å; C524-I528 WeakPolarHBondContact O-CG1 3.39Å; C524-I528 PolarHBondContact O-N 2.83Å
525	Q	98.5	Very high	98.2	Very high	63 Å²	63	58 Å²	58	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-36.7	175.5	-55.6	-176.4	38	0	0	111.8	I520 P521 E522 V527 I528 H529	I520-Q525 HydrophobicContact CB-CG 4.47Å; I520-Q525 HydrophobicContact CG2-CG 3.66Å; I520-Q525 PolarHBondContact O-NE2 3Å; P521-Q525 PolarHBondContact O-N 2.83Å; P521-Q525 VanDerWaalsContact O-N 3.14Å; E522-Q525 WeakPolarHBondContact O-CA 3.3Å; E522-Q525 VanDerWaalsContact O-CB 3.3Å; E522-Q525 WeakPolarHBondContact O-CB 3.32Å; E522-Q525 PolarHBondContact O-N 3.31Å; Q525-V527 PolarHBondContact O-N 3.07Å; Q525-I528 WeakPolarHBondContact O-CB 3.13Å; Q525-I528 PolarHBondContact O-N 2.99Å; Q525-H529 WeakPolarHBondContact O-CB 3.5Å; Q525-H529 PolarHBondContact O-N 3.25Å
526	D	98.4	Very high	98.2	Very high	100 Å²	100	60.1 Å²	60.1	54%	0.535	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-43.9	173.8	-64.7	-31.1	0	0	0	111.9	E522 C524 H529 A530	E522-D526 PolarHBondContact O-N 3.45Å; C524-D526 VanDerWaalsContact C-N 3.3Å; C524-D526 PolarHBondContact O-N 2.99Å; D526-H529 PolarHBondContact O-N 3.44Å; D526-A530 PolarHBondContact O-N 2.87Å
527	V	98.4	Very high	98.2	Very high	41 Å²	41	66.4 Å²	66.4	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-67.9	-40	177.5	-174.9	0	0	0	0	111.1	L382 T393 C524 Q525 H529 A530 S531	L382-V527 HydrophobicContact CD2-CG1 4.05Å; T393-V527 VanDerWaalsContact OG1-CG1 3.31Å; T393-V527 WeakPolarHBondContact OG1-CG1 3.36Å; C524-V527 PolarHBondContact O-N 3.4Å; Q525-V527 PolarHBondContact O-N 3.07Å; V527-H529 VanDerWaalsContact C-N 3.28Å; V527-H529 PolarHBondContact O-N 2.85Å; V527-A530 PolarHBondContact O-N 3.47Å; V527-S531 PolarHBondContact O-N 2.94Å; V527-S531 PolarHBondContact O-OG 3.08Å
528	I	98.8	Very high	98.2	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-57.6	-44.5	172.5	-69.9	164.1	0	0	0	110.2	K378 L379 L382 I520 C524 Q525 S531 Y532	K378-I528 HydrophobicContact CB-CG2 3.7Å; K378-I528 WeakPolarHBondContact O-CG2 3.39Å; L379-I528 HydrophobicContact CD1-CD1 3.86Å; L379-I528 HydrophobicContact CD1-CG1 4.47Å; L382-I528 HydrophobicContact CD1-CD1 4.4Å; L382-I528 HydrophobicContact CD1-CG1 3.74Å; L382-I528 HydrophobicContact CD2-CG1 3.96Å; L382-I528 HydrophobicContact CG-CG1 3.75Å; I520-I528 HydrophobicContact CD1-CD1 4.45Å; I520-I528 HydrophobicContact CG2-CD1 3.78Å; C524-I528 WeakPolarHBondContact O-CG1 3.39Å; C524-I528 PolarHBondContact O-N 2.83Å; Q525-I528 WeakPolarHBondContact O-CB 3.13Å; Q525-I528 PolarHBondContact O-N 2.99Å; I528-S531 PolarHBondContact O-N 3.02Å; I528-Y532 WeakPolarHBondContact O-CB 3.34Å; I528-Y532 PolarHBondContact O-N 2.62Å
529	H	98.6	Very high	98.2	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-65.9	-44.1	179.6	-171.8	56.3	0	0	0	112.2	Q525 D526 V527 Y532 L533	Q525-H529 WeakPolarHBondContact O-CB 3.5Å; Q525-H529 PolarHBondContact O-N 3.25Å; D526-H529 PolarHBondContact O-N 3.44Å; V527-H529 VanDerWaalsContact C-N 3.28Å; V527-H529 PolarHBondContact O-N 2.85Å; H529-Y532 WeakPolarHBondContact O-CB 3.14Å; H529-Y532 PolarHBondContact O-N 3Å; H529-L533 WeakPolarHBondContact O-CG 3.3Å; H529-L533 PolarHBondContact O-N 3.36Å
530	A	98.6	Very high	98.2	Very high	58 Å²	58	57.7 Å²	57.7	48%	0.479	29%	0.293	S	S	.	.	H	α-helix	trans	-60.3	-46.3	175.7	0	0	0	0	0	112	D526 V527 Y532 L533 L534	D526-A530 PolarHBondContact O-N 2.87Å; V527-A530 PolarHBondContact O-N 3.47Å; A530-Y532 VanDerWaalsContact C-N 3.3Å; A530-Y532 PolarHBondContact O-N 2.81Å; A530-L533 PolarHBondContact O-N 2.78Å; A530-L534 PolarHBondContact O-N 3.29Å
531	S	98.6	Very high	98.3	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-38.1	174.9	-66.9	0	0	0	0	112.2	A381 V527 I528 A535	A381-S531 WeakPolarHBondContact O-CB 3.49Å; V527-S531 PolarHBondContact O-N 2.94Å; V527-S531 PolarHBondContact O-OG 3.08Å; I528-S531 PolarHBondContact O-N 3.02Å; S531-A535 VanDerWaalsContact O-CB 3.28Å; S531-A535 WeakPolarHBondContact O-CB 3.42Å; S531-A535 PolarHBondContact O-N 3.39Å
532	Y	98.6	Very high	98.2	Very high	38 Å²	38	55.8 Å²	55.8	15%	0.149	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-46.9	174.8	168.6	-104.9	0	0	0	112.2	K378 C446 Y447 I528 H529 A530 L534 A535 R536	K378-Y532 HydrophobicContact CD-CD1 4.21Å; K378-Y532 HydrophobicContact CD-CD2 4.43Å; K378-Y532 HydrophobicContact CD-CG 4.12Å; C446-Y532 HydrophobicContact CB-CD2 4.39Å; C446-Y532 HydrophobicContact CB-CE2 4.48Å; Y447-Y532 AromaticContact CD1-CD2 3.71Å; Y447-Y532 HydrophobicContact CD1-CD2 3.71Å; Y447-Y532 AromaticContact CD1-CE2 3.5Å; Y447-Y532 HydrophobicContact CD1-CE2 3.5Å; Y447-Y532 HydrophobicContact CE1-CD2 4.42Å; Y447-Y532 AromaticContact CE1-CE2 3.79Å; Y447-Y532 HydrophobicContact CE1-CE2 3.79Å; I528-Y532 WeakPolarHBondContact O-CB 3.34Å; I528-Y532 PolarHBondContact O-N 2.62Å; H529-Y532 WeakPolarHBondContact O-CB 3.14Å; H529-Y532 PolarHBondContact O-N 3Å; A530-Y532 VanDerWaalsContact C-N 3.3Å; A530-Y532 PolarHBondContact O-N 2.81Å; Y532-L534 VanDerWaalsContact C-N 3.35Å; Y532-L534 PolarHBondContact O-N 2.83Å; Y532-A535 PolarHBondContact O-N 3.32Å; Y532-R536 HydrophobicContact CD2-CG 4.44Å; Y532-R536 HydrophobicContact CE1-CG 4.28Å; Y532-R536 HydrophobicContact CE2-CG 3.72Å; Y532-R536 WeakPolarHBondContact O-CB 3.46Å; Y532-R536 PolarHBondContact O-N 3.11Å
533	L	98.6	Very high	98.2	Very high	92 Å²	92	49.9 Å²	49.9	48%	0.482	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-42.9	179.3	-68.9	178	0	0	0	111.7	H529 A530 R536 H537	H529-L533 WeakPolarHBondContact O-CG 3.3Å; H529-L533 PolarHBondContact O-N 3.36Å; A530-L533 PolarHBondContact O-N 2.78Å; L533-R536 PolarHBondContact O-N 3.2Å; L533-H537 WeakPolarHBondContact O-CB 3.28Å; L533-H537 PolarHBondContact O-N 2.8Å
534	L	98.3	Very high	98.2	Very high	65 Å²	65	44.7 Å²	44.7	34%	0.34	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-48.2	175.8	-173.9	156.2	0	0	0	111.3	P247 A530 Y532 R536 H537 L538	P247-L534 HydrophobicContact CB-CD2 4.48Å; P247-L534 HydrophobicContact CG-CD2 3.47Å; P247-L534 VanDerWaalsContact CG-CD2 3.47Å; A530-L534 PolarHBondContact O-N 3.29Å; Y532-L534 VanDerWaalsContact C-N 3.35Å; Y532-L534 PolarHBondContact O-N 2.83Å; L534-R536 VanDerWaalsContact C-N 3.32Å; L534-R536 PolarHBondContact O-N 3.27Å; L534-H537 PolarHBondContact O-N 2.98Å; L534-L538 PolarHBondContact O-N 3.48Å
535	A	98.4	Very high	98.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-39.5	178	0	0	0	0	0	111.8	M249 A384 C446 S531 Y532 L538 A539	M249-A535 HydrophobicContact CE-CB 4.05Å; M249-A535 WeakPolarHBondContact CE-O 3.43Å; A384-A535 HydrophobicContact CB-CB 3.69Å; C446-A535 HydrophobicContact CB-CB 3.84Å; S531-A535 VanDerWaalsContact O-CB 3.28Å; S531-A535 WeakPolarHBondContact O-CB 3.42Å; S531-A535 PolarHBondContact O-N 3.39Å; Y532-A535 PolarHBondContact O-N 3.32Å; A535-L538 PolarHBondContact O-N 2.47Å; A535-A539 WeakPolarHBondContact O-CB 3.42Å; A535-A539 PolarHBondContact O-N 3.37Å
536	R	98.4	Very high	98.1	Very high	92 Å²	92	42.6 Å²	42.6	35%	0.347	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-47.7	175.7	-108.7	-66.8	-173	179	2.4	112.1	Y532 L533 L534 L538 A539 D540	Y532-R536 HydrophobicContact CD2-CG 4.44Å; Y532-R536 HydrophobicContact CE1-CG 4.28Å; Y532-R536 HydrophobicContact CE2-CG 3.72Å; Y532-R536 WeakPolarHBondContact O-CB 3.46Å; Y532-R536 PolarHBondContact O-N 3.11Å; L533-R536 PolarHBondContact O-N 3.2Å; L534-R536 VanDerWaalsContact C-N 3.32Å; L534-R536 PolarHBondContact O-N 3.27Å; R536-L538 VanDerWaalsContact C-N 3.26Å; R536-L538 PolarHBondContact O-N 3.03Å; R536-A539 PolarHBondContact O-N 3.04Å; R536-A539 VanDerWaalsContact O-N 3.13Å; R536-D540 IonicContact CZ-OD1 2.76Å; R536-D540 IonicContact NH1-OD1 2.74Å; R536-D540 PolarHBondContact NH1-OD1 2.96Å; R536-D540 IonicContact NH1-OD2 3.93Å; R536-D540 WeakPolarHBondContact O-CB 3.49Å; R536-D540 PolarHBondContact O-N 2.82Å
537	H	98.2	Very high	98	Very high	140 Å²	140	39.3 Å²	39.3	65%	0.648	20%	0.202	S	C	*	.	H	α-helix	trans	-56.8	-43.3	175.6	-179.6	-75.4	0	0	0	111.3	L533 L534 D541	L533-H537 WeakPolarHBondContact O-CB 3.28Å; L533-H537 PolarHBondContact O-N 2.8Å; L534-H537 PolarHBondContact O-N 2.98Å; H537-D541 WeakPolarHBondContact O-CB 3.36Å; H537-D541 PolarHBondContact O-N 2.88Å
538	L	97.8	Very high	97.9	Very high	17 Å²	17	38.7 Å²	38.7	9%	0.089	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-44.2	175.7	179.3	60.5	0	0	0	112.1	P247 V250 L534 A535 R536 D541 V542	P247-L538 HydrophobicContact CB-CD2 3.74Å; P247-L538 HydrophobicContact CG-CD2 4.1Å; V250-L538 HydrophobicContact CB-CD1 4.49Å; V250-L538 HydrophobicContact CB-CD2 4.01Å; V250-L538 HydrophobicContact CB-CG 4.12Å; V250-L538 HydrophobicContact CG2-CD2 4.25Å; V250-L538 HydrophobicContact CG2-CG 4.09Å; L534-L538 PolarHBondContact O-N 3.48Å; A535-L538 PolarHBondContact O-N 2.47Å; R536-L538 VanDerWaalsContact C-N 3.26Å; R536-L538 PolarHBondContact O-N 3.03Å; L538-D541 PolarHBondContact O-N 3.19Å; L538-V542 VanDerWaalsContact O-CG2 3.24Å; L538-V542 WeakPolarHBondContact O-CG2 3.47Å
539	A	98.1	Very high	97.7	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-41.2	179.7	0	0	0	0	0	112.8	M249 H443 C446 A535 R536 D541 V542	M249-A539 HydrophobicContact CE-CB 4.11Å; H443-A539 HydrophobicContact CB-CB 4.11Å; C446-A539 VanDerWaalsContact SG-CB 3.53Å; A535-A539 WeakPolarHBondContact O-CB 3.42Å; A535-A539 PolarHBondContact O-N 3.37Å; R536-A539 PolarHBondContact O-N 3.04Å; R536-A539 VanDerWaalsContact O-N 3.13Å; A539-D541 PolarHBondContact O-N 2.95Å; A539-V542 PolarHBondContact O-N 3.22Å
540	D	97.8	Very high	97.6	Very high	88 Å²	88	38.1 Å²	38.1	47%	0.471	20%	0.2	S	C	.	.	H	α-helix	trans	-68.5	-26	-179.9	-65.7	-19.8	0	0	0	111.7	R536 F738	R536-D540 IonicContact CZ-OD1 2.76Å; R536-D540 IonicContact NH1-OD1 2.74Å; R536-D540 PolarHBondContact NH1-OD1 2.96Å; R536-D540 IonicContact NH1-OD2 3.93Å; R536-D540 WeakPolarHBondContact O-CB 3.49Å; R536-D540 PolarHBondContact O-N 2.82Å; D540-F738 WeakPolarHBondContact O-CD2 3.42Å
541	D	97.8	Very high	97.4	Very high	24 Å²	24	39 Å²	39	13%	0.128	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.8	176.1	-166.7	34.4	0	0	0	113.5	H537 L538 A539 K737 F738 S739	H537-D541 WeakPolarHBondContact O-CB 3.36Å; H537-D541 PolarHBondContact O-N 2.88Å; L538-D541 PolarHBondContact O-N 3.19Å; A539-D541 PolarHBondContact O-N 2.95Å; D541-K737 CarbonylContact O-C 3.53Å; D541-K737 WeakPolarHBondContact O-CA 3.18Å; D541-F738 PolarHBondContact O-N 2.78Å; D541-F738 PolarHBondContact OD1-N 2.78Å; D541-S739 VanDerWaalsContact CG-OG 3.29Å; D541-S739 WeakPolarHBondContact OD1-CA 3.39Å; D541-S739 WeakPolarHBondContact OD1-CB 3.3Å; D541-S739 PolarHBondContact OD1-N 2.89Å; D541-S739 PolarHBondContact OD1-OG 2.99Å; D541-S739 PolarHBondContact OD2-OG 3.13Å
542	V	97.1	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.4	-176.8	-177.3	0	0	0	0	111.3	V250 K439 L538 A539 F544 F738	V250-V542 HydrophobicContact CB-CG2 4.41Å; V250-V542 HydrophobicContact CG1-CG2 3.5Å; V250-V542 HydrophobicContact CG2-CG2 4.11Å; K439-V542 VanDerWaalsContact CE-O 3.25Å; K439-V542 WeakPolarHBondContact CE-O 3.43Å; K439-V542 PolarHBondContact NZ-O 2.77Å; L538-V542 VanDerWaalsContact O-CG2 3.24Å; L538-V542 WeakPolarHBondContact O-CG2 3.47Å; A539-V542 PolarHBondContact O-N 3.22Å; V542-F544 HydrophobicContact CB-CE2 4.19Å; V542-F544 HydrophobicContact CG1-CD2 3.61Å; V542-F544 HydrophobicContact CG1-CE2 3.19Å; V542-F544 HydrophobicContact CG1-CZ 3.79Å; V542-F738 WeakPolarHBondContact O-CE2 3.47Å
543	D	97.4	Very high	97.1	Very high	16 Å²	16	37.2 Å²	37.2	9%	0.086	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.9	169.9	-174.2	32.8	0	0	0	110.7	S735 S736 F738 S745	D543-S735 WeakPolarHBondContact O-CA 3.27Å; D543-S736 PolarHBondContact N-O 3.18Å; D543-S736 PolarHBondContact O-N 2.92Å; D543-F738 HydrophobicContact CB-CD1 4.09Å; D543-F738 HydrophobicContact CB-CD2 4.18Å; D543-F738 HydrophobicContact CB-CE1 3.72Å; D543-F738 HydrophobicContact CB-CE2 3.83Å; D543-F738 HydrophobicContact CB-CG 4.31Å; D543-F738 HydrophobicContact CB-CZ 3.58Å; D543-F738 VanDerWaalsContact OD1-CZ 3.3Å; D543-F738 WeakPolarHBondContact OD1-CZ 3.3Å; D543-S745 VanDerWaalsContact CG-OG 3.24Å; D543-S745 WeakPolarHBondContact OD2-CB 3.38Å; D543-S745 PolarHBondContact OD2-N 2.63Å; D543-S745 PolarHBondContact OD2-OG 2.79Å
544	F	97.2	Very high	96.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.4	178.8	-83.7	-77.5	0	0	0	109.8	Y255 D435 A438 K439 M442 V542 I734	Y255-F544 AromaticContact CE1-CE1 3.94Å; Y255-F544 HydrophobicContact CE1-CE1 3.94Å; Y255-F544 HydrophobicContact CE1-CZ 4.39Å; D435-F544 WeakPolarHBondContact CB-O 3.23Å; A438-F544 HydrophobicContact CB-CB 4.33Å; A438-F544 HydrophobicContact CB-CD1 4.22Å; A438-F544 HydrophobicContact CB-CG 4.25Å; K439-F544 HydrophobicContact CD-CD2 4.48Å; K439-F544 HydrophobicContact CG-CB 4.27Å; K439-F544 HydrophobicContact CG-CD2 3.55Å; K439-F544 HydrophobicContact CG-CE2 4.31Å; K439-F544 HydrophobicContact CG-CG 4.29Å; M442-F544 HydrophobicContact CB-CE2 4.24Å; M442-F544 HydrophobicContact CB-CZ 4.13Å; M442-F544 HydrophobicContact CE-CZ 4.02Å; M442-F544 HydrophobicContact CG-CE2 4.16Å; M442-F544 HydrophobicContact CG-CZ 3.86Å; V542-F544 HydrophobicContact CB-CE2 4.19Å; V542-F544 HydrophobicContact CG1-CD2 3.61Å; V542-F544 HydrophobicContact CG1-CE2 3.19Å; V542-F544 HydrophobicContact CG1-CZ 3.79Å; F544-I734 CarbonylContact C-O 3.46Å; F544-I734 VanDerWaalsContact CA-O 3.32Å; F544-I734 WeakPolarHBondContact CA-O 3.45Å
545	H	97.9	Very high	96.5	Very high	15 Å²	15	32 Å²	32	7%	0.069	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	118.9	169.3	-167.9	65.2	0	0	0	112	D435 I734 A749	D435-H545 VanDerWaalsContact OD1-CA 3.25Å; D435-H545 WeakPolarHBondContact OD1-CA 3.33Å; D435-H545 IonicContact OD1-ND1 3.99Å; D435-H545 IonicContact OD2-CE1 2.88Å; D435-H545 IonicContact OD2-CG 2.7Å; D435-H545 IonicContact OD2-ND1 3.05Å; D435-H545 PolarHBondContact OD2-ND1 3.49Å; H545-I734 PolarHBondContact N-O 2.86Å; H545-I734 PolarHBondContact O-N 3.15Å; H545-A749 WeakPolarHBondContact CD2-CB 3.49Å
546	G	96.9	Very high	96.3	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.1	172.2	0	0	0	0	0	110.9	D435 F732	D435-G546 PolarHBondContact OD1-N 2.7Å; G546-F732 CarbonylContact C-O 3.37Å; G546-F732 WeakPolarHBondContact CA-O 3.27Å
547	H	96.3	Very high	96.2	Very high	30 Å²	30	30.2 Å²	30.2	14%	0.139	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.5	-176.5	-175.8	64	0	0	0	112.2	F732 A749	H547-F732 HydrophobicContact CB-CB 4.27Å; H547-F732 PolarHBondContact N-O 2.85Å; H547-F732 PolarHBondContact O-N 3.47Å; H547-A749 HydrophobicContact CB-CB 4.2Å
548	L	95.8	Very high	95.9	Very high	28 Å²	28	29.2 Å²	29.2	15%	0.147	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109.6	172.6	-57.3	-179.9	0	0	0	110	L260 Y426 L434 T731	L260-L548 HydrophobicContact CD1-CD1 4.21Å; L260-L548 HydrophobicContact CD1-CD2 4.06Å; L260-L548 HydrophobicContact CD2-CD1 3.96Å; L260-L548 HydrophobicContact CD2-CD2 3.76Å; Y426-L548 HydrophobicContact CD2-CD1 4.01Å; Y426-L548 HydrophobicContact CE1-CD1 4.17Å; Y426-L548 HydrophobicContact CE2-CD1 3.36Å; Y426-L548 HydrophobicContact CE2-CG 4.48Å; Y426-L548 VanDerWaalsContact CZ-CD1 3.45Å; L434-L548 HydrophobicContact CD1-CD1 4.27Å; L434-L548 HydrophobicContact CD1-CD2 4.02Å; L434-L548 HydrophobicContact CD1-CG 3.86Å; L548-T731 HydrophobicContact CD2-CG2 3.68Å
549	F	96.4	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.3	174.6	-173	-89.5	0	0	0	109.7	E551 F552 I730 F732 R753 M756 I757	F549-E551 VanDerWaalsContact CD2-OE2 3.3Å; F549-E551 WeakPolarHBondContact CD2-OE2 3.35Å; F549-E551 HydrophobicContact CE1-CB 4.03Å; F549-E551 HydrophobicContact CE2-CB 4.33Å; F549-E551 HydrophobicContact CE2-CG 4.49Å; F549-E551 WeakPolarHBondContact CE2-OE2 3.23Å; F549-E551 HydrophobicContact CZ-CB 3.82Å; F549-E551 HydrophobicContact CZ-CG 4.44Å; F549-F552 VanDerWaalsContact CD1-O 3.23Å; F549-F552 WeakPolarHBondContact CD1-O 3.44Å; F549-F552 AromaticContact CE1-CD1 3.68Å; F549-F552 HydrophobicContact CE1-CD1 3.68Å; F549-F552 AromaticContact CE1-CD2 3.95Å; F549-F552 HydrophobicContact CE1-CD2 3.95Å; F549-F552 AromaticContact CE1-CE1 3.67Å; F549-F552 HydrophobicContact CE1-CE1 3.67Å; F549-F552 AromaticContact CE1-CE2 3.92Å; F549-F552 HydrophobicContact CE1-CE2 3.92Å; F549-F552 AromaticContact CE1-CG 3.84Å; F549-F552 HydrophobicContact CE1-CG 3.84Å; F549-F552 AromaticContact CE1-CZ 3.79Å; F549-F552 HydrophobicContact CE1-CZ 3.79Å; F549-F552 VanDerWaalsContact CE1-O 3.25Å; F549-F552 WeakPolarHBondContact CE1-O 3.26Å; F549-F552 AromaticContact CZ-CD1 3.78Å; F549-F552 HydrophobicContact CZ-CD1 3.78Å; F549-F552 AromaticContact CZ-CE1 3.41Å; F549-F552 HydrophobicContact CZ-CE1 3.41Å; F549-F552 VanDerWaalsContact CZ-CE1 3.41Å; F549-F552 HydrophobicContact CZ-CE2 4.31Å; F549-F552 HydrophobicContact CZ-CG 4.39Å; F549-F552 AromaticContact CZ-CZ 3.7Å; F549-F552 HydrophobicContact CZ-CZ 3.7Å; F549-I730 WeakPolarHBondContact CA-O 3.48Å; F549-I730 HydrophobicContact CB-CB 4.29Å; F549-I730 WeakPolarHBondContact CB-O 3.24Å; F549-I730 HydrophobicContact CD1-CD1 4.35Å; F549-I730 PolarHBondContact N-O 2.84Å; F549-I730 PolarHBondContact O-N 2.87Å; F549-F732 HydrophobicContact CB-CD2 4.33Å; F549-F732 HydrophobicContact CB-CE2 3.96Å; F549-R753 HydrophobicContact CD2-CG 4.13Å; F549-R753 HydrophobicContact CE2-CG 4Å; F549-M756 HydrophobicContact CD1-CE 4.49Å; F549-M756 HydrophobicContact CE1-CE 4.19Å; F549-M756 HydrophobicContact CE2-CB 3.74Å; F549-M756 HydrophobicContact CE2-CG 4.34Å; F549-M756 HydrophobicContact CZ-CB 3.71Å; F549-M756 HydrophobicContact CZ-CE 4.47Å; F549-M756 HydrophobicContact CZ-CG 4.46Å; F549-I757 HydrophobicContact CE2-CG1 4.39Å; F549-I757 HydrophobicContact CZ-CG1 4.45Å
550	T	94.9	Very high	95.4	Very high	83 Å²	83	36.1 Å²	36.1	51%	0.509	18%	0.182	S	C	.	.			trans	-120.5	-4.3	-170.4	54.1	0	0	0	0	113.4	F552 L729	T550-F552 VanDerWaalsContact C-N 3.28Å; T550-F552 PolarHBondContact O-N 2.93Å; T550-L729 HydrophobicContact CG2-CD1 3.86Å
551	E	95.6	Very high	95.1	Very high	76 Å²	76	43.4 Å²	43.4	36%	0.355	20%	0.202	S	C	.	.	S	Bend	trans	-66.5	-33.6	-177.6	-67.8	79.3	173.6	0	0	111.6	F549 R753	F549-E551 VanDerWaalsContact CD2-OE2 3.3Å; F549-E551 WeakPolarHBondContact CD2-OE2 3.35Å; F549-E551 HydrophobicContact CE1-CB 4.03Å; F549-E551 HydrophobicContact CE2-CB 4.33Å; F549-E551 HydrophobicContact CE2-CG 4.49Å; F549-E551 WeakPolarHBondContact CE2-OE2 3.23Å; F549-E551 HydrophobicContact CZ-CB 3.82Å; F549-E551 HydrophobicContact CZ-CG 4.44Å; E551-R753 IonicContact OE1-CZ 3.19Å; E551-R753 IonicContact OE1-NE 3.79Å; E551-R753 PolarHBondContact OE1-NE 3.35Å; E551-R753 IonicContact OE1-NH2 2.69Å; E551-R753 PolarHBondContact OE1-NH2 2.8Å
552	F	95.4	Very high	94.9	Very high	6 Å²	6	43 Å²	43	3%	0.026	20%	0.201	C	C	.	.			trans	-167.4	170.3	169.9	60.6	-94.7	0	0	0	110.9	F549 T550 L556 I557 F567 N728 M756 Q760	F549-F552 VanDerWaalsContact CD1-O 3.23Å; F549-F552 WeakPolarHBondContact CD1-O 3.44Å; F549-F552 AromaticContact CE1-CD1 3.68Å; F549-F552 HydrophobicContact CE1-CD1 3.68Å; F549-F552 AromaticContact CE1-CD2 3.95Å; F549-F552 HydrophobicContact CE1-CD2 3.95Å; F549-F552 AromaticContact CE1-CE1 3.67Å; F549-F552 HydrophobicContact CE1-CE1 3.67Å; F549-F552 AromaticContact CE1-CE2 3.92Å; F549-F552 HydrophobicContact CE1-CE2 3.92Å; F549-F552 AromaticContact CE1-CG 3.84Å; F549-F552 HydrophobicContact CE1-CG 3.84Å; F549-F552 AromaticContact CE1-CZ 3.79Å; F549-F552 HydrophobicContact CE1-CZ 3.79Å; F549-F552 VanDerWaalsContact CE1-O 3.25Å; F549-F552 WeakPolarHBondContact CE1-O 3.26Å; F549-F552 AromaticContact CZ-CD1 3.78Å; F549-F552 HydrophobicContact CZ-CD1 3.78Å; F549-F552 AromaticContact CZ-CE1 3.41Å; F549-F552 HydrophobicContact CZ-CE1 3.41Å; F549-F552 VanDerWaalsContact CZ-CE1 3.41Å; F549-F552 HydrophobicContact CZ-CE2 4.31Å; F549-F552 HydrophobicContact CZ-CG 4.39Å; F549-F552 AromaticContact CZ-CZ 3.7Å; F549-F552 HydrophobicContact CZ-CZ 3.7Å; T550-F552 VanDerWaalsContact C-N 3.28Å; T550-F552 PolarHBondContact O-N 2.93Å; F552-L556 HydrophobicContact CB-CB 3.82Å; F552-L556 HydrophobicContact CB-CD2 3.55Å; F552-L556 HydrophobicContact CB-CG 4.32Å; F552-L556 HydrophobicContact CD1-CD2 3.92Å; F552-L556 HydrophobicContact CD2-CB 4.34Å; F552-L556 HydrophobicContact CD2-CD2 4.03Å; F552-L556 HydrophobicContact CG-CB 4.33Å; F552-L556 HydrophobicContact CG-CD2 3.57Å; F552-I557 HydrophobicContact CD2-CD1 4.33Å; F552-I557 HydrophobicContact CD2-CG1 4Å; F552-I557 HydrophobicContact CE2-CD1 4.07Å; F552-I557 HydrophobicContact CE2-CG1 3.84Å; F552-F567 AromaticContact CE2-CE1 3.9Å; F552-F567 HydrophobicContact CE2-CE1 3.9Å; F552-F567 HydrophobicContact CE2-CZ 4.09Å; F552-F567 AromaticContact CZ-CE1 3.93Å; F552-F567 HydrophobicContact CZ-CE1 3.93Å; F552-F567 HydrophobicContact CZ-CZ 4Å; F552-N728 CarbonylContact C-O 3.58Å; F552-M756 HydrophobicContact CE2-CE 3.78Å; F552-M756 HydrophobicContact CZ-CB 4.06Å; F552-M756 HydrophobicContact CZ-CE 4.03Å; F552-M756 WeakPolarHBondContact CZ-O 3.49Å; F552-Q760 HydrophobicContact CD1-CG 4.21Å; F552-Q760 HydrophobicContact CE1-CB 3.76Å; F552-Q760 HydrophobicContact CE1-CG 3.88Å; F552-Q760 HydrophobicContact CZ-CB 3.95Å; F552-Q760 HydrophobicContact CZ-CG 4.32Å
553	G	94.1	Very high	94.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.212	C	C	.	.			trans	-141.5	-149.9	173.1	0	0	0	0	0	112.4	G555 L556 I557 E727	G553-G555 PolarHBondContact O-N 3.22Å; G553-G555 VanDerWaalsContact O-N 3.08Å; G553-L556 PolarHBondContact O-N 3.13Å; G553-I557 WeakPolarHBondContact O-CG1 3.41Å; G553-I557 PolarHBondContact O-N 3.28Å; G553-E727 CarbonylContact C-O 3.59Å; G553-E727 WeakPolarHBondContact CA-O 3.41Å; G553-E727 PolarHBondContact N-O 3.37Å
554	K	92.6	Very high	94.7	Very high	39 Å²	39	44.9 Å²	44.9	17%	0.17	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-27.8	-177.2	76	-169.6	-173.4	-148.8	0	113.6	I557 K558 P564 I724 G726 E727	K554-I557 PolarHBondContact O-N 3.03Å; K554-K558 VanDerWaalsContact O-CB 3.29Å; K554-K558 WeakPolarHBondContact O-CB 3.35Å; K554-K558 VanDerWaalsContact O-CG 3.23Å; K554-K558 WeakPolarHBondContact O-CG 3.35Å; K554-K558 PolarHBondContact O-N 3.15Å; K554-P564 HydrophobicContact CB-CB 4.18Å; K554-P564 HydrophobicContact CB-CG 3.86Å; K554-I724 HydrophobicContact CB-CG2 3.7Å; K554-I724 HydrophobicContact CD-CG2 3.95Å; K554-I724 HydrophobicContact CG-CG2 4.2Å; K554-G726 WeakPolarHBondContact CD-O 3.41Å; K554-G726 WeakPolarHBondContact CE-O 3.46Å; K554-G726 VanDerWaalsContact CG-O 3.32Å; K554-G726 WeakPolarHBondContact CG-O 3.47Å; K554-G726 PolarHBondContact NZ-O 2.92Å; K554-E727 WeakPolarHBondContact CE-OE1 3.39Å; K554-E727 PolarHBondContact N-O 3Å; K554-E727 IonicContact NZ-OE1 3.21Å
555	G	93	Very high	94.7	Very high	10 Å²	10	45.4 Å²	45.4	10%	0.103	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-45.2	-178.4	0	0	0	0	0	112.1	G553 K559 E727	G553-G555 PolarHBondContact O-N 3.22Å; G553-G555 VanDerWaalsContact O-N 3.08Å; G555-K559 WeakPolarHBondContact O-CG 3.5Å; G555-K559 PolarHBondContact O-N 2.92Å; G555-E727 WeakPolarHBondContact CA-OE2 3.36Å; G555-E727 PolarHBondContact N-O 2.86Å; G555-E727 PolarHBondContact N-OE2 3.37Å
556	L	94.2	Very high	94.7	Very high	53 Å²	53	44.7 Å²	44.7	28%	0.277	21%	0.214	S	C	.	.	H	α-helix	trans	-72	-43.6	175.3	-169.7	77.4	0	0	0	111.5	F552 G553 K558 K559 C560 Q760	F552-L556 HydrophobicContact CB-CB 3.82Å; F552-L556 HydrophobicContact CB-CD2 3.55Å; F552-L556 HydrophobicContact CB-CG 4.32Å; F552-L556 HydrophobicContact CD1-CD2 3.92Å; F552-L556 HydrophobicContact CD2-CB 4.34Å; F552-L556 HydrophobicContact CD2-CD2 4.03Å; F552-L556 HydrophobicContact CG-CB 4.33Å; F552-L556 HydrophobicContact CG-CD2 3.57Å; G553-L556 PolarHBondContact O-N 3.13Å; L556-K558 VanDerWaalsContact C-N 3.29Å; L556-K558 PolarHBondContact O-N 2.81Å; L556-K559 WeakPolarHBondContact O-CA 3.41Å; L556-K559 WeakPolarHBondContact O-CB 3.41Å; L556-K559 PolarHBondContact O-N 3.47Å; L556-C560 PolarHBondContact O-N 3.46Å; L556-C560 VanDerWaalsContact O-N 3.16Å; L556-C560 PolarHBondContact O-SG 3.47Å; L556-Q760 HydrophobicContact CD2-CG 3.56Å; L556-Q760 VanDerWaalsContact CD2-NE2 3.3Å
557	I	95.6	Very high	94.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-40.7	-177.9	-61.4	164.8	0	0	0	110.9	F552 G553 K554 K559 C560 T562 P564 F567 I730	F552-I557 HydrophobicContact CD2-CD1 4.33Å; F552-I557 HydrophobicContact CD2-CG1 4Å; F552-I557 HydrophobicContact CE2-CD1 4.07Å; F552-I557 HydrophobicContact CE2-CG1 3.84Å; G553-I557 WeakPolarHBondContact O-CG1 3.41Å; G553-I557 PolarHBondContact O-N 3.28Å; K554-I557 PolarHBondContact O-N 3.03Å; I557-K559 VanDerWaalsContact C-N 3.31Å; I557-K559 PolarHBondContact O-N 2.9Å; I557-C560 CarbonylContact O-C 3.55Å; I557-C560 WeakPolarHBondContact O-CA 3.48Å; I557-C560 VanDerWaalsContact O-CB 3.24Å; I557-C560 WeakPolarHBondContact O-CB 3.28Å; I557-C560 PolarHBondContact O-N 2.85Å; I557-T562 PolarHBondContact O-N 3.31Å; I557-P564 HydrophobicContact CD1-CB 4.4Å; I557-P564 HydrophobicContact CG2-CB 4.42Å; I557-P564 HydrophobicContact CG2-CG 4.41Å; I557-F567 HydrophobicContact CD1-CB 4.35Å; I557-F567 HydrophobicContact CD1-CD1 4Å; I557-F567 HydrophobicContact CD1-CG 4.13Å; I557-F567 HydrophobicContact CG1-CD1 4.2Å; I557-F567 HydrophobicContact CG1-CD2 4.18Å; I557-F567 HydrophobicContact CG1-CE1 4.46Å; I557-F567 HydrophobicContact CG1-CE2 4.43Å; I557-F567 HydrophobicContact CG1-CG 4.07Å; I557-F567 HydrophobicContact CG2-CB 3.66Å; I557-F567 HydrophobicContact CG2-CD2 3.73Å; I557-F567 HydrophobicContact CG2-CG 3.81Å; I557-I730 HydrophobicContact CD1-CD1 4.22Å
558	K	93.1	Very high	94.9	Very high	119 Å²	119	43.1 Å²	43.1	52%	0.517	21%	0.205	S	C	.	.	H	α-helix	trans	-63.8	-33.9	174.6	-75.5	178.1	178.5	-178.2	0	112.9	K554 L556 C560 R561 P564	K554-K558 VanDerWaalsContact O-CB 3.29Å; K554-K558 WeakPolarHBondContact O-CB 3.35Å; K554-K558 VanDerWaalsContact O-CG 3.23Å; K554-K558 WeakPolarHBondContact O-CG 3.35Å; K554-K558 PolarHBondContact O-N 3.15Å; L556-K558 VanDerWaalsContact C-N 3.29Å; L556-K558 PolarHBondContact O-N 2.81Å; K558-C560 PolarHBondContact O-N 3.32Å; K558-R561 WeakPolarHBondContact O-CA 3.33Å; K558-R561 PolarHBondContact O-N 3.41Å; K558-P564 HydrophobicContact CG-CG 4.18Å
559	K	92.8	Very high	95	Very high	149 Å²	149	41.8 Å²	41.8	65%	0.648	20%	0.198	S	C	*	.	H	α-helix	trans	-66.1	-23.8	172.4	-68.9	173.1	-175.1	179.7	0	112.3	G555 L556 I557 R561	G555-K559 WeakPolarHBondContact O-CG 3.5Å; G555-K559 PolarHBondContact O-N 2.92Å; L556-K559 WeakPolarHBondContact O-CA 3.41Å; L556-K559 WeakPolarHBondContact O-CB 3.41Å; L556-K559 PolarHBondContact O-N 3.47Å; I557-K559 VanDerWaalsContact C-N 3.31Å; I557-K559 PolarHBondContact O-N 2.9Å; K559-R561 PolarHBondContact O-N 3.29Å
560	C	91.9	Very high	95.1	Very high	15 Å²	15	41.8 Å²	41.8	10%	0.101	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	7.5	170.2	-53.2	0	0	0	0	112.5	L556 I557 K558 T562 F763	L556-C560 PolarHBondContact O-N 3.46Å; L556-C560 VanDerWaalsContact O-N 3.16Å; L556-C560 PolarHBondContact O-SG 3.47Å; I557-C560 CarbonylContact O-C 3.55Å; I557-C560 WeakPolarHBondContact O-CA 3.48Å; I557-C560 VanDerWaalsContact O-CB 3.24Å; I557-C560 WeakPolarHBondContact O-CB 3.28Å; I557-C560 PolarHBondContact O-N 2.85Å; K558-C560 PolarHBondContact O-N 3.32Å; C560-T562 PolarHBondContact O-N 3.25Å; C560-T562 VanDerWaalsContact O-N 3.15Å; C560-T562 PolarHBondContact O-OG1 2.84Å; C560-T562 VanDerWaalsContact O-OG1 3.08Å; C560-F763 HydrophobicContact CB-CD1 3.63Å; C560-F763 HydrophobicContact CB-CD2 4.14Å; C560-F763 HydrophobicContact CB-CE1 3.65Å; C560-F763 HydrophobicContact CB-CE2 4.2Å; C560-F763 HydrophobicContact CB-CG 3.87Å; C560-F763 HydrophobicContact CB-CZ 3.95Å; C560-F763 WeakPolarHBondContact O-CE1 3.29Å
561	R	91.3	Very high	95.3	Very high	241 Å²	241	37.9 Å²	37.9	91%	0.909	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	30.6	-178.7	-59.5	-176.7	177.2	176.3	0.9	113.9	K558 K559	K558-R561 WeakPolarHBondContact O-CA 3.33Å; K558-R561 PolarHBondContact O-N 3.41Å; K559-R561 PolarHBondContact O-N 3.29Å
562	T	94	Very high	95.4	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.098	16%	0.158	C	C	.	.	S	Bend	trans	-116.7	147.6	-178	-56	0	0	0	0	110.2	I557 C560 F567 F631 A635	I557-T562 PolarHBondContact O-N 3.31Å; C560-T562 PolarHBondContact O-N 3.25Å; C560-T562 VanDerWaalsContact O-N 3.15Å; C560-T562 PolarHBondContact O-OG1 2.84Å; C560-T562 VanDerWaalsContact O-OG1 3.08Å; T562-F567 HydrophobicContact CG2-CB 4.18Å; T562-F567 HydrophobicContact CG2-CD2 4.45Å; T562-F631 HydrophobicContact CG2-CE1 3.88Å; T562-F631 HydrophobicContact CG2-CZ 3.95Å; T562-A635 HydrophobicContact CG2-CB 3.9Å
563	S	94.3	Very high	95.6	Very high	33 Å²	33	34 Å²	34	23%	0.231	16%	0.157	C	C	.	.			trans	-62.2	128.1	170	-179.4	0	0	0	0	109.7	D565 A566 F567	S563-D565 PolarHBondContact O-N 3.49Å; S563-A566 PolarHBondContact O-N 3.32Å; S563-F567 PolarHBondContact O-N 3.12Å
564	P	96.3	Very high	95.8	Very high	22 Å²	22	34 Å²	34	14%	0.143	16%	0.157	C	C	.	.	H	α-helix	trans	-54.6	-38	176.5	-27.8	36.1	0	0	0	113.6	K554 I557 K558 I568 I724	K554-P564 HydrophobicContact CB-CB 4.18Å; K554-P564 HydrophobicContact CB-CG 3.86Å; I557-P564 HydrophobicContact CD1-CB 4.4Å; I557-P564 HydrophobicContact CG2-CB 4.42Å; I557-P564 HydrophobicContact CG2-CG 4.41Å; K558-P564 HydrophobicContact CG-CG 4.18Å; P564-I568 WeakPolarHBondContact O-CG1 3.35Å; P564-I568 PolarHBondContact O-N 3.45Å; P564-I568 VanDerWaalsContact O-N 3.16Å; P564-I724 HydrophobicContact CB-CD1 3.63Å
565	D	95.9	Very high	96.1	Very high	13 Å²	13	32.1 Å²	32.1	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-67.6	-49.5	178.6	-177.9	69.1	0	0	0	112.2	S563 F567 I568 Q569 H638 Y722	S563-D565 PolarHBondContact O-N 3.49Å; D565-F567 VanDerWaalsContact C-N 3.28Å; D565-F567 PolarHBondContact O-N 2.99Å; D565-I568 PolarHBondContact O-N 3.1Å; D565-I568 VanDerWaalsContact O-N 3.13Å; D565-Q569 WeakPolarHBondContact O-CG 3.41Å; D565-Q569 PolarHBondContact O-N 3.4Å; D565-H638 IonicContact OD2-NE2 3.39Å; D565-Y722 PolarHBondContact OD1-OH 2.72Å
566	A	97.7	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61	-37.2	176.1	0	0	0	0	0	112.4	S563 Q569 L570 A635 H638	S563-A566 PolarHBondContact O-N 3.32Å; A566-Q569 PolarHBondContact O-N 2.94Å; A566-L570 WeakPolarHBondContact O-CB 3.27Å; A566-L570 VanDerWaalsContact O-CG 3.27Å; A566-L570 WeakPolarHBondContact O-CG 3.25Å; A566-L570 PolarHBondContact O-N 2.95Å; A566-A635 HydrophobicContact CB-CB 4.31Å; A566-H638 HydrophobicContact CB-CB 4.15Å
567	F	98.6	Very high	96.6	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-47.8	175.2	-172.1	-73.9	0	0	0	111.2	F552 I557 T562 S563 D565 A571 F631 M756 I759 F763	F552-F567 AromaticContact CE2-CE1 3.9Å; F552-F567 HydrophobicContact CE2-CE1 3.9Å; F552-F567 HydrophobicContact CE2-CZ 4.09Å; F552-F567 AromaticContact CZ-CE1 3.93Å; F552-F567 HydrophobicContact CZ-CE1 3.93Å; F552-F567 HydrophobicContact CZ-CZ 4Å; I557-F567 HydrophobicContact CD1-CB 4.35Å; I557-F567 HydrophobicContact CD1-CD1 4Å; I557-F567 HydrophobicContact CD1-CG 4.13Å; I557-F567 HydrophobicContact CG1-CD1 4.2Å; I557-F567 HydrophobicContact CG1-CD2 4.18Å; I557-F567 HydrophobicContact CG1-CE1 4.46Å; I557-F567 HydrophobicContact CG1-CE2 4.43Å; I557-F567 HydrophobicContact CG1-CG 4.07Å; I557-F567 HydrophobicContact CG2-CB 3.66Å; I557-F567 HydrophobicContact CG2-CD2 3.73Å; I557-F567 HydrophobicContact CG2-CG 3.81Å; T562-F567 HydrophobicContact CG2-CB 4.18Å; T562-F567 HydrophobicContact CG2-CD2 4.45Å; S563-F567 PolarHBondContact O-N 3.12Å; D565-F567 VanDerWaalsContact C-N 3.28Å; D565-F567 PolarHBondContact O-N 2.99Å; F567-A571 WeakPolarHBondContact O-CB 3.42Å; F567-A571 PolarHBondContact O-N 2.9Å; F567-F631 HydrophobicContact CB-CZ 4.49Å; F567-F631 HydrophobicContact CD2-CE1 4.38Å; F567-F631 HydrophobicContact CD2-CE2 4.44Å; F567-F631 AromaticContact CD2-CZ 3.62Å; F567-F631 HydrophobicContact CD2-CZ 3.62Å; F567-F631 HydrophobicContact CE2-CZ 4.15Å; F567-F631 HydrophobicContact CG-CZ 4.24Å; F567-M756 HydrophobicContact CD1-CE 3.92Å; F567-M756 HydrophobicContact CD1-SD 3.71Å; F567-M756 HydrophobicContact CE1-CE 3.78Å; F567-M756 HydrophobicContact CE1-SD 3.58Å; F567-M756 VanDerWaalsContact CE1-SD 3.58Å; F567-I759 HydrophobicContact CD2-CG2 4.04Å; F567-I759 HydrophobicContact CE1-CB 4.37Å; F567-I759 HydrophobicContact CE1-CG2 4.15Å; F567-I759 HydrophobicContact CE2-CB 4.26Å; F567-I759 HydrophobicContact CE2-CG2 3.32Å; F567-I759 HydrophobicContact CZ-CB 3.8Å; F567-I759 HydrophobicContact CZ-CG2 3.38Å; F567-F763 HydrophobicContact CE2-CE2 4.47Å
568	I	98.6	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-47.9	179.2	-68.3	166.8	0	0	0	110	P564 D565 L570 A571 L572 Y722 I724 I730 F732 M756	P564-I568 WeakPolarHBondContact O-CG1 3.35Å; P564-I568 PolarHBondContact O-N 3.45Å; P564-I568 VanDerWaalsContact O-N 3.16Å; D565-I568 PolarHBondContact O-N 3.1Å; D565-I568 VanDerWaalsContact O-N 3.13Å; I568-L570 VanDerWaalsContact C-N 3.32Å; I568-L570 PolarHBondContact O-N 3.2Å; I568-A571 CarbonylContact O-C 3.57Å; I568-A571 WeakPolarHBondContact O-CA 3.29Å; I568-A571 WeakPolarHBondContact O-CB 3.49Å; I568-A571 PolarHBondContact O-N 3.37Å; I568-L572 HydrophobicContact CG2-CD1 4.33Å; I568-L572 HydrophobicContact CG2-CG 4.32Å; I568-L572 WeakPolarHBondContact O-CG 3.26Å; I568-L572 PolarHBondContact O-N 3.36Å; I568-Y722 HydrophobicContact CB-CE2 4.3Å; I568-Y722 HydrophobicContact CD1-CD2 3.77Å; I568-Y722 HydrophobicContact CD1-CE2 3.91Å; I568-Y722 HydrophobicContact CG2-CD1 4.02Å; I568-Y722 HydrophobicContact CG2-CD2 4.02Å; I568-Y722 HydrophobicContact CG2-CE1 3.93Å; I568-Y722 HydrophobicContact CG2-CE2 3.94Å; I568-Y722 HydrophobicContact CG2-CG 4.06Å; I568-I724 HydrophobicContact CD1-CD1 3.74Å; I568-I724 HydrophobicContact CD1-CG1 3.92Å; I568-I730 HydrophobicContact CD1-CD1 4.04Å; I568-I730 HydrophobicContact CD1-CG2 4.08Å; I568-I730 HydrophobicContact CG1-CD1 4.4Å; I568-F732 HydrophobicContact CG2-CE1 3.71Å; I568-F732 HydrophobicContact CG2-CZ 4.12Å; I568-M756 HydrophobicContact CG1-CE 4.1Å; I568-M756 HydrophobicContact CG1-SD 4.27Å
569	Q	98.6	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-40.5	179.8	-74.3	-73.1	-19.3	0	0	112.5	D565 A566 L572 Q573 E588 S605 H638 T684 Y722	D565-Q569 WeakPolarHBondContact O-CG 3.41Å; D565-Q569 PolarHBondContact O-N 3.4Å; A566-Q569 PolarHBondContact O-N 2.94Å; Q569-L572 WeakPolarHBondContact O-CB 3.45Å; Q569-L572 PolarHBondContact O-N 3.34Å; Q569-Q573 WeakPolarHBondContact O-CG 3.35Å; Q569-Q573 PolarHBondContact O-N 2.93Å; Q569-E588 VanDerWaalsContact CG-OE1 3.28Å; Q569-E588 WeakPolarHBondContact CG-OE1 3.48Å; Q569-E588 VanDerWaalsContact NE2-CD 3.26Å; Q569-E588 PolarHBondContact NE2-OE1 2.71Å; Q569-S605 PolarHBondContact OE1-OG 2.84Å; Q569-H638 WeakPolarHBondContact CG-NE2 3.16Å; Q569-T684 PolarHBondContact NE2-OG1 2.8Å; Q569-Y722 PolarHBondContact NE2-OH 2.92Å
570	L	98.8	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-69.5	-34.4	173.8	-67.5	175.8	0	0	0	113.1	A566 I568 L572 Q573 L574 A610 F613 F631 A634 A635	A566-L570 WeakPolarHBondContact O-CB 3.27Å; A566-L570 VanDerWaalsContact O-CG 3.27Å; A566-L570 WeakPolarHBondContact O-CG 3.25Å; A566-L570 PolarHBondContact O-N 2.95Å; I568-L570 VanDerWaalsContact C-N 3.32Å; I568-L570 PolarHBondContact O-N 3.2Å; L570-L572 VanDerWaalsContact C-N 3.29Å; L570-Q573 PolarHBondContact O-N 2.86Å; L570-L574 PolarHBondContact O-N 3.45Å; L570-A610 HydrophobicContact CD2-CB 3.81Å; L570-F613 HydrophobicContact CB-CD1 4.47Å; L570-F613 HydrophobicContact CB-CE1 4.16Å; L570-F613 HydrophobicContact CD2-CD1 4.42Å; L570-F631 HydrophobicContact CB-CE2 4.07Å; L570-F631 HydrophobicContact CD1-CD2 3.76Å; L570-F631 HydrophobicContact CD1-CE2 3.54Å; L570-F631 HydrophobicContact CD1-CZ 4.19Å; L570-F631 HydrophobicContact CG-CE2 4.48Å; L570-A634 HydrophobicContact CD1-CB 3.88Å; L570-A634 HydrophobicContact CD2-CB 3.63Å; L570-A634 HydrophobicContact CG-CB 4.43Å; L570-A635 HydrophobicContact CD1-CB 3.8Å
571	A	98.8	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-37.4	171	0	0	0	0	0	111.4	F567 I568 L574 A575 A755 M756 I759	F567-A571 WeakPolarHBondContact O-CB 3.42Å; F567-A571 PolarHBondContact O-N 2.9Å; I568-A571 CarbonylContact O-C 3.57Å; I568-A571 WeakPolarHBondContact O-CA 3.29Å; I568-A571 WeakPolarHBondContact O-CB 3.49Å; I568-A571 PolarHBondContact O-N 3.37Å; A571-L574 PolarHBondContact O-N 3.48Å; A571-A575 VanDerWaalsContact O-CB 3.27Å; A571-A575 WeakPolarHBondContact O-CB 3.31Å; A571-A575 PolarHBondContact O-N 3.07Å; A571-A755 HydrophobicContact CB-CB 4.15Å; A571-A755 WeakPolarHBondContact O-CB 3.42Å; A571-M756 HydrophobicContact CB-CG 3.9Å; A571-M756 HydrophobicContact CB-SD 3.44Å; A571-M756 WeakPolarHBondContact CB-SD 3.31Å; A571-I759 HydrophobicContact CB-CD1 3.81Å
572	L	98.8	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-40.4	173.6	-64	180	0	0	0	111.6	I568 Q569 L570 A575 Q576 L682 T684 V720 Y722 I752	I568-L572 HydrophobicContact CG2-CD1 4.33Å; I568-L572 HydrophobicContact CG2-CG 4.32Å; I568-L572 WeakPolarHBondContact O-CG 3.26Å; I568-L572 PolarHBondContact O-N 3.36Å; Q569-L572 WeakPolarHBondContact O-CB 3.45Å; Q569-L572 PolarHBondContact O-N 3.34Å; L570-L572 VanDerWaalsContact C-N 3.29Å; L572-A575 PolarHBondContact O-N 3.38Å; L572-Q576 WeakPolarHBondContact O-CB 3.28Å; L572-Q576 PolarHBondContact O-N 3.28Å; L572-L682 HydrophobicContact CB-CD2 4.3Å; L572-T684 HydrophobicContact CD1-CG2 3.85Å; L572-V720 HydrophobicContact CD1-CG1 4.29Å; L572-V720 HydrophobicContact CD2-CG1 4.08Å; L572-Y722 HydrophobicContact CD1-CE1 4.25Å; L572-I752 HydrophobicContact CD2-CD1 3.54Å; L572-I752 HydrophobicContact CD2-CG1 3.73Å; L572-I752 HydrophobicContact CD2-CG2 4.31Å
573	Q	98.8	Very high	97.6	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-45.1	174.2	-65.7	-54.9	-66.4	0	0	111.8	Q569 L570 Q576 F577 T586 C606 A610 V614	Q569-Q573 WeakPolarHBondContact O-CG 3.35Å; Q569-Q573 PolarHBondContact O-N 2.93Å; L570-Q573 PolarHBondContact O-N 2.86Å; Q573-Q576 PolarHBondContact O-N 2.92Å; Q573-F577 PolarHBondContact O-N 2.89Å; Q573-T586 PolarHBondContact NE2-OG1 3.35Å; Q573-C606 VanDerWaalsContact OE1-CA 3.31Å; Q573-C606 PolarHBondContact OE1-SG 3.3Å; Q573-A610 HydrophobicContact CG-CB 4.25Å; Q573-V614 HydrophobicContact CB-CG2 3.99Å
574	L	98.9	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.5	-43.2	176.8	179.9	58	0	0	0	111.9	L570 A571 R578 F613 V614 M617 E618 A755 I759	L570-L574 PolarHBondContact O-N 3.45Å; A571-L574 PolarHBondContact O-N 3.48Å; L574-R578 HydrophobicContact CD1-CG 4.4Å; L574-R578 WeakPolarHBondContact O-CB 3.39Å; L574-R578 VanDerWaalsContact O-CG 3.3Å; L574-R578 WeakPolarHBondContact O-CG 3.35Å; L574-R578 PolarHBondContact O-N 3.49Å; L574-F613 HydrophobicContact CB-CE1 4.49Å; L574-F613 HydrophobicContact CD2-CZ 4.41Å; L574-V614 HydrophobicContact CB-CG2 4.13Å; L574-V614 HydrophobicContact CD1-CG1 4.05Å; L574-V614 HydrophobicContact CD1-CG2 4.46Å; L574-M617 HydrophobicContact CD1-CB 3.76Å; L574-M617 HydrophobicContact CD1-CG 4.36Å; L574-M617 HydrophobicContact CD2-CB 4.25Å; L574-M617 HydrophobicContact CD2-CE 4.01Å; L574-M617 HydrophobicContact CD2-CG 4.14Å; L574-E618 HydrophobicContact CD1-CG 4.48Å; L574-A755 HydrophobicContact CB-CB 4.06Å; L574-A755 HydrophobicContact CD2-CB 3.86Å; L574-A755 HydrophobicContact CG-CB 3.98Å; L574-I759 HydrophobicContact CD2-CD1 4.46Å; L574-I759 HydrophobicContact CD2-CG1 4.35Å
575	A	98.8	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-44.3	176.2	0	0	0	0	0	111.6	A571 L572 R578 D579 F748 H751 I752 A755	A571-A575 VanDerWaalsContact O-CB 3.27Å; A571-A575 WeakPolarHBondContact O-CB 3.31Å; A571-A575 PolarHBondContact O-N 3.07Å; L572-A575 PolarHBondContact O-N 3.38Å; A575-R578 PolarHBondContact O-N 3.03Å; A575-D579 VanDerWaalsContact O-CB 3.26Å; A575-D579 WeakPolarHBondContact O-CB 3.14Å; A575-D579 PolarHBondContact O-N 2.82Å; A575-F748 HydrophobicContact CB-CE2 3.84Å; A575-F748 HydrophobicContact CB-CZ 4.22Å; A575-H751 HydrophobicContact CB-CB 3.85Å; A575-I752 HydrophobicContact CB-CB 4.46Å; A575-I752 HydrophobicContact CB-CG1 3.79Å; A575-A755 HydrophobicContact CB-CB 4.34Å
576	Q	98.2	Very high	97.9	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-44.1	-179.6	-174.1	-79.4	-43.7	0	0	111.4	L572 Q573 D579 Q580 V582 L682 F748	L572-Q576 WeakPolarHBondContact O-CB 3.28Å; L572-Q576 PolarHBondContact O-N 3.28Å; Q573-Q576 PolarHBondContact O-N 2.92Å; Q576-D579 PolarHBondContact O-N 3.13Å; Q576-Q580 WeakPolarHBondContact O-CB 3.4Å; Q576-Q580 PolarHBondContact O-N 3.33Å; Q576-V582 PolarHBondContact NE2-O 3.37Å; Q576-V582 PolarHBondContact OE1-O 2.94Å; Q576-L682 HydrophobicContact CB-CD2 4.21Å; Q576-L682 HydrophobicContact CG-CD2 4.31Å; Q576-F748 HydrophobicContact CB-CE2 4.15Å; Q576-F748 HydrophobicContact CB-CZ 4.15Å
577	F	98.4	Very high	97.9	Very high	37 Å²	37	19 Å²	19	16%	0.162	11%	0.106	C	C	.	.	H	α-helix	trans	-66.2	-41.3	177.2	-173.1	-96.8	0	0	0	112.4	Q573 D579 G581 F583 V614 L615 E618	Q573-F577 PolarHBondContact O-N 2.89Å; F577-D579 VanDerWaalsContact C-N 3.25Å; F577-D579 PolarHBondContact O-N 3.38Å; F577-G581 WeakPolarHBondContact O-CA 3.39Å; F577-G581 PolarHBondContact O-N 3.45Å; F577-F583 HydrophobicContact CB-CE1 4.32Å; F577-F583 HydrophobicContact CD2-CD1 4.01Å; F577-F583 HydrophobicContact CD2-CD2 4.28Å; F577-F583 AromaticContact CD2-CE1 3.7Å; F577-F583 HydrophobicContact CD2-CE1 3.7Å; F577-F583 AromaticContact CD2-CE2 3.98Å; F577-F583 HydrophobicContact CD2-CE2 3.98Å; F577-F583 HydrophobicContact CD2-CG 4.28Å; F577-F583 AromaticContact CD2-CZ 3.67Å; F577-F583 HydrophobicContact CD2-CZ 3.67Å; F577-F583 HydrophobicContact CE2-CD2 4.26Å; F577-F583 HydrophobicContact CE2-CE1 4.36Å; F577-F583 AromaticContact CE2-CE2 3.82Å; F577-F583 HydrophobicContact CE2-CE2 3.82Å; F577-F583 AromaticContact CE2-CZ 3.87Å; F577-F583 HydrophobicContact CE2-CZ 3.87Å; F577-F583 HydrophobicContact CG-CE1 4.21Å; F577-F583 HydrophobicContact CG-CZ 4.33Å; F577-V614 HydrophobicContact CB-CG1 3.43Å; F577-V614 VanDerWaalsContact CB-CG1 3.43Å; F577-V614 HydrophobicContact CD1-CG1 3.62Å; F577-V614 HydrophobicContact CD2-CG1 4.27Å; F577-V614 HydrophobicContact CE1-CG1 4.46Å; F577-V614 HydrophobicContact CG-CG1 3.5Å; F577-L615 HydrophobicContact CE1-CD2 4.35Å; F577-L615 HydrophobicContact CE2-CD2 4.32Å; F577-L615 HydrophobicContact CZ-CD2 3.81Å; F577-E618 HydrophobicContact CD1-CG 4.1Å; F577-E618 HydrophobicContact CE1-CG 4.14Å
578	R	98	Very high	97.9	Very high	50 Å²	50	19 Å²	19	19%	0.189	11%	0.106	C	C	.	.	H	α-helix	trans	-63.6	-32.4	175.4	-75	170.9	172	-178.6	-5.8	113.3	L574 A575 E618 D758	L574-R578 HydrophobicContact CD1-CG 4.4Å; L574-R578 WeakPolarHBondContact O-CB 3.39Å; L574-R578 VanDerWaalsContact O-CG 3.3Å; L574-R578 WeakPolarHBondContact O-CG 3.35Å; L574-R578 PolarHBondContact O-N 3.49Å; A575-R578 PolarHBondContact O-N 3.03Å; R578-E618 IonicContact CZ-OE1 2.85Å; R578-E618 IonicContact NE-OE1 2.78Å; R578-E618 PolarHBondContact NE-OE1 2.86Å; R578-E618 IonicContact NE-OE2 3.26Å; R578-E618 IonicContact NH2-OE1 3.2Å; R578-E618 PolarHBondContact NH2-OE1 2.89Å; R578-D758 IonicContact CZ-OD2 3.83Å; R578-D758 VanDerWaalsContact CZ-OD2 3.24Å; R578-D758 IonicContact NH1-OD2 3.19Å; R578-D758 PolarHBondContact NH1-OD2 2.91Å; R578-D758 IonicContact NH2-OD2 3.89Å; R578-D758 PolarHBondContact NH2-OD2 3.15Å
579	D	97.3	Very high	97.8	Very high	20 Å²	20	20.4 Å²	20.4	11%	0.107	12%	0.116	C	C	.	.	H	α-helix	trans	-82.4	-38.9	-177.4	-168.9	78.1	0	0	0	112.3	A575 Q576 F577 Y718 R747 F748 H751	A575-D579 VanDerWaalsContact O-CB 3.26Å; A575-D579 WeakPolarHBondContact O-CB 3.14Å; A575-D579 PolarHBondContact O-N 2.82Å; Q576-D579 PolarHBondContact O-N 3.13Å; F577-D579 VanDerWaalsContact C-N 3.25Å; F577-D579 PolarHBondContact O-N 3.38Å; D579-Y718 PolarHBondContact OD2-OH 2.95Å; D579-R747 VanDerWaalsContact CG-NH2 3.26Å; D579-R747 IonicContact OD1-CZ 3.34Å; D579-R747 IonicContact OD1-NE 2.94Å; D579-R747 PolarHBondContact OD1-NE 3.44Å; D579-R747 IonicContact OD1-NH2 2.68Å; D579-R747 PolarHBondContact OD1-NH2 3.33Å; D579-R747 IonicContact OD2-CZ 2.82Å; D579-R747 IonicContact OD2-NE 3.82Å; D579-R747 IonicContact OD2-NH2 3.81Å; D579-R747 PolarHBondContact OD2-NH2 2.95Å; D579-F748 HydrophobicContact CB-CD2 3.91Å; D579-F748 HydrophobicContact CB-CE2 4.24Å; D579-H751 IonicContact OD1-CD2 2.82Å; D579-H751 PolarHBondContact OD1-CD2 3.34Å; D579-H751 VanDerWaalsContact OD1-CD2 3.27Å; D579-H751 IonicContact OD1-NE2 2.68Å
580	Q	95.6	Very high	97.7	Very high	49 Å²	49	20.4 Å²	20.4	23%	0.229	12%	0.116	C	C	.	.	H	α-helix	trans	-109.5	-17.2	-172.2	-60.3	-64.1	-55.1	0	0	114.4	Q576 V582 N742	Q576-Q580 WeakPolarHBondContact O-CB 3.4Å; Q576-Q580 PolarHBondContact O-N 3.33Å; Q580-V582 HydrophobicContact CB-CG2 4.31Å; Q580-V582 PolarHBondContact O-N 3.04Å; Q580-N742 PolarHBondContact NE2-O 3.31Å; Q580-N742 PolarHBondContact OE1-ND2 3.23Å
581	G	95.8	Very high	97.5	Very high	50 Å²	50	22.7 Å²	22.7	52%	0.515	13%	0.127	S	C	.	.	S	Bend	trans	70.6	0.7	-175.7	0	0	0	0	0	115.5	F577	F577-G581 WeakPolarHBondContact O-CA 3.39Å; F577-G581 PolarHBondContact O-N 3.45Å
582	V	95.5	Very high	97.4	Very high	90 Å²	90	22.9 Å²	22.9	55%	0.545	13%	0.128	S	C	.	.	S	Bend	trans	-139.6	149	-178.6	-63.8	0	0	0	0	110.7	Q576 Q580	Q576-V582 PolarHBondContact NE2-O 3.37Å; Q576-V582 PolarHBondContact OE1-O 2.94Å; Q580-V582 HydrophobicContact CB-CG2 4.31Å; Q580-V582 PolarHBondContact O-N 3.04Å
583	F	97.6	Very high	97.3	Very high	38 Å²	38	23.2 Å²	23.2	17%	0.167	13%	0.129	C	C	.	.			trans	-72.1	150.2	171.2	-66.1	-66	0	0	0	111.4	L193 F577 A611 V614 L615	L193-F583 HydrophobicContact CD2-CB 4.05Å; F577-F583 HydrophobicContact CB-CE1 4.32Å; F577-F583 HydrophobicContact CD2-CD1 4.01Å; F577-F583 HydrophobicContact CD2-CD2 4.28Å; F577-F583 AromaticContact CD2-CE1 3.7Å; F577-F583 HydrophobicContact CD2-CE1 3.7Å; F577-F583 AromaticContact CD2-CE2 3.98Å; F577-F583 HydrophobicContact CD2-CE2 3.98Å; F577-F583 HydrophobicContact CD2-CG 4.28Å; F577-F583 AromaticContact CD2-CZ 3.67Å; F577-F583 HydrophobicContact CD2-CZ 3.67Å; F577-F583 HydrophobicContact CE2-CD2 4.26Å; F577-F583 HydrophobicContact CE2-CE1 4.36Å; F577-F583 AromaticContact CE2-CE2 3.82Å; F577-F583 HydrophobicContact CE2-CE2 3.82Å; F577-F583 AromaticContact CE2-CZ 3.87Å; F577-F583 HydrophobicContact CE2-CZ 3.87Å; F577-F583 HydrophobicContact CG-CE1 4.21Å; F577-F583 HydrophobicContact CG-CZ 4.33Å; F583-A611 HydrophobicContact CD1-CB 4.37Å; F583-A611 HydrophobicContact CD2-CB 4.25Å; F583-A611 HydrophobicContact CE1-CB 3.91Å; F583-A611 HydrophobicContact CE2-CB 3.78Å; F583-A611 HydrophobicContact CZ-CB 3.6Å; F583-V614 HydrophobicContact CE1-CB 3.98Å; F583-V614 HydrophobicContact CE1-CG1 3.85Å; F583-V614 HydrophobicContact CE1-CG2 4.45Å; F583-V614 HydrophobicContact CZ-CB 4.15Å; F583-V614 HydrophobicContact CZ-CG1 4.03Å; F583-L615 HydrophobicContact CE2-CD1 4.35Å; F583-L615 HydrophobicContact CE2-CD2 4.25Å; F583-L615 HydrophobicContact CE2-CG 4.19Å; F583-L615 HydrophobicContact CZ-CD2 4.31Å; F583-L615 HydrophobicContact CZ-CG 4.06Å
584	C	96.9	Very high	97.1	Very high	10 Å²	10	23.4 Å²	23.4	7%	0.068	13%	0.13	C	C	.	.			trans	-140.1	158.4	179.3	77.2	0	0	0	0	112	T586 C606 K681	C584-T586 PolarHBondContact O-N 3.45Å; C584-T586 VanDerWaalsContact O-N 3.17Å; C584-T586 PolarHBondContact O-OG1 3.37Å; C584-C606 WeakPolarHBondContact O-CB 3.38Å; C584-K681 HydrophobicContact CB-CB 3.89Å; C584-K681 HydrophobicContact CB-CD 4.25Å; C584-K681 HydrophobicContact CB-CG 4.43Å
585	L	97.1	Very high	97.1	Very high	14 Å²	14	23.6 Å²	23.6	7%	0.073	13%	0.131	C	C	.	.			trans	-65.2	118.6	176.3	-170.7	68.6	0	0	0	109.4	L193 E678 W680 K681 L682	L193-L585 HydrophobicContact CD1-CB 4.02Å; L193-L585 HydrophobicContact CD1-CD1 3.63Å; L193-L585 HydrophobicContact CD1-CG 4.42Å; L585-E678 HydrophobicContact CD2-CB 3.98Å; L585-W680 HydrophobicContact CB-CE3 4.35Å; L585-W680 HydrophobicContact CD1-CE3 4.23Å; L585-W680 HydrophobicContact CD1-CH2 4.1Å; L585-W680 HydrophobicContact CD1-CZ3 3.68Å; L585-W680 HydrophobicContact CD2-CD2 3.66Å; L585-W680 HydrophobicContact CD2-CE3 3.48Å; L585-W680 VanDerWaalsContact CD2-CE3 3.48Å; L585-W680 HydrophobicContact CD2-CG 4.44Å; L585-W680 HydrophobicContact CD2-CH2 3.75Å; L585-W680 HydrophobicContact CD2-CZ2 3.91Å; L585-W680 HydrophobicContact CD2-CZ3 3.55Å; L585-W680 HydrophobicContact CG-CD2 4.06Å; L585-W680 HydrophobicContact CG-CE3 3.35Å; L585-W680 HydrophobicContact CG-CH2 3.97Å; L585-W680 HydrophobicContact CG-CZ3 3.32Å; L585-K681 PolarHBondContact O-N 3.06Å; L585-L682 PolarHBondContact O-N 2.82Å
586	T	98.5	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.3	-177.7	-58	0	0	0	0	110.8	Q573 C584 R604 S605 L682 T684	Q573-T586 PolarHBondContact NE2-OG1 3.35Å; C584-T586 PolarHBondContact O-N 3.45Å; C584-T586 VanDerWaalsContact O-N 3.17Å; C584-T586 PolarHBondContact O-OG1 3.37Å; T586-R604 WeakPolarHBondContact O-CA 3.38Å; T586-S605 PolarHBondContact O-N 2.87Å; T586-L682 CarbonylContact C-O 3.53Å; T586-L682 VanDerWaalsContact CA-O 3.29Å; T586-L682 WeakPolarHBondContact CA-O 3.27Å; T586-L682 HydrophobicContact CG2-CB 4.07Å; T586-L682 HydrophobicContact CG2-CD2 3.75Å; T586-L682 HydrophobicContact CG2-CG 3.84Å; T586-T684 HydrophobicContact CG2-CG2 4.26Å
587	Y	98.5	Very high	96.8	Very high	35 Å²	35	29.2 Å²	29.2	14%	0.137	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.5	173.4	179	-83.8	0	0	0	109.8	T602 R653 W680 L682 T684	Y587-T602 HydrophobicContact CD2-CG2 3.44Å; Y587-T602 VanDerWaalsContact CD2-CG2 3.44Å; Y587-T602 WeakPolarHBondContact CD2-OG1 3.07Å; Y587-T602 HydrophobicContact CE2-CG2 3.83Å; Y587-T602 WeakPolarHBondContact CE2-OG1 3.47Å; Y587-T602 HydrophobicContact CG-CG2 4.14Å; Y587-R653 PolarHBondContact OH-NH2 2.73Å; Y587-R653 VanDerWaalsContact OH-NH2 3.16Å; Y587-W680 VanDerWaalsContact CB-CE3 3.47Å; Y587-W680 HydrophobicContact CD2-CD2 4.24Å; Y587-W680 HydrophobicContact CD2-CE3 4.36Å; Y587-W680 HydrophobicContact CG-CE3 4.43Å; Y587-L682 PolarHBondContact N-O 2.93Å; Y587-T684 WeakPolarHBondContact O-CA 3.39Å; Y587-T684 WeakPolarHBondContact O-CB 3.1Å; Y587-T684 PolarHBondContact O-N 3.06Å; Y587-T684 PolarHBondContact O-OG1 3.35Å
588	E	98.6	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.8	160.5	170.8	-179.9	-128.1	0	0	110.1	Q569 S590 V603 H638 Y642 T684 Y722	Q569-E588 VanDerWaalsContact CG-OE1 3.28Å; Q569-E588 WeakPolarHBondContact CG-OE1 3.48Å; Q569-E588 VanDerWaalsContact NE2-CD 3.26Å; Q569-E588 PolarHBondContact NE2-OE1 2.71Å; E588-S590 PolarHBondContact O-N 2.68Å; E588-V603 HydrophobicContact CB-CB 4.07Å; E588-V603 HydrophobicContact CG-CB 4.41Å; E588-V603 PolarHBondContact N-O 3.37Å; E588-V603 PolarHBondContact O-N 3.13Å; E588-H638 IonicContact OE1-NE2 2.74Å; E588-H638 IonicContact OE2-CE1 2.79Å; E588-H638 PolarHBondContact OE2-CE1 3.08Å; E588-H638 IonicContact OE2-NE2 3.85Å; E588-H638 PolarHBondContact OE2-NE2 2.89Å; E588-Y642 HydrophobicContact CG-CE2 4.41Å; E588-T684 WeakPolarHBondContact CA-O 3.49Å; E588-T684 WeakPolarHBondContact CA-OG1 3.21Å; E588-T684 WeakPolarHBondContact CB-OG1 3.32Å; E588-Y722 PolarHBondContact OE1-OH 3.41Å
589	S	97.1	Very high	96.6	Very high	30 Å²	30	25.7 Å²	25.7	21%	0.21	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.5	176	179.1	0	0	0	0	112	T600 T684	S589-T600 WeakPolarHBondContact OG-CG2 3.28Å; S589-T684 PolarHBondContact N-O 2.82Å
590	S	96.3	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.8	169.3	164.6	0	0	0	0	110.9	E588 T600 E601 M646	E588-S590 PolarHBondContact O-N 2.68Å; S590-T600 CarbonylContact O-C 3.43Å; S590-T600 VanDerWaalsContact O-CA 3.26Å; S590-T600 WeakPolarHBondContact O-CA 3.44Å; S590-E601 PolarHBondContact N-O 2.91Å; S590-E601 PolarHBondContact O-N 3.02Å; S590-M646 WeakPolarHBondContact OG-CG 3Å; S590-M646 PolarHBondContact OG-N 2.87Å
591	M	94.4	Very high	96.7	Very high	49 Å²	49	23.1 Å²	23.1	24%	0.241	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	136.5	178.3	59.7	178.9	165.1	0	0	112.8	M302 R593 R599 M646	M302-M591 HydrophobicContact SD-CE 4.21Å; M302-M591 HydrophobicContact SD-SD 3.89Å; M591-R593 HydrophobicContact CB-CG 4.37Å; M591-R599 WeakPolarHBondContact CA-O 3.42Å; M591-M646 HydrophobicContact CE-CE 3.96Å; M591-M646 HydrophobicContact CG-CE 4.42Å
592	T	96.4	Very high	96.8	Very high	4 Å²	4	21 Å²	21	3%	0.025	11%	0.106	C	C	.	.			trans	-105.6	22.6	172.6	55	0	0	0	0	112.1	L174 M594 F595 R599 E601	L174-T592 HydrophobicContact CD1-CG2 4.3Å; T592-M594 PolarHBondContact O-N 2.68Å; T592-F595 WeakPolarHBondContact O-CD2 3.49Å; T592-F595 PolarHBondContact O-N 3.47Å; T592-R599 PolarHBondContact N-O 3.35Å; T592-R599 PolarHBondContact OG1-N 3.07Å; T592-R599 PolarHBondContact OG1-O 3.2Å; T592-E601 HydrophobicContact CG2-CB 3.64Å
593	R	96.2	Very high	96.9	Very high	6 Å²	6	16.9 Å²	16.9	2%	0.023	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-4.6	-175.9	-66.9	175.6	61.4	-162.1	2.7	114.6	M302 C303 M591 F595 G598	M302-R593 CarbonylContact C-O 3.51Å; M302-R593 VanDerWaalsContact CA-O 3.23Å; M302-R593 WeakPolarHBondContact CA-O 3.37Å; M302-R593 HydrophobicContact CB-CB 4.02Å; M302-R593 HydrophobicContact CG-CB 4.38Å; M302-R593 HydrophobicContact SD-CB 4.36Å; C303-R593 HydrophobicContact CB-CB 4.48Å; C303-R593 PolarHBondContact N-O 3.18Å; C303-R593 PolarHBondContact O-NE 3.44Å; C303-R593 PolarHBondContact O-NH2 2.98Å; M591-R593 HydrophobicContact CB-CG 4.37Å; R593-F595 PolarHBondContact O-N 3.35Å; R593-G598 WeakPolarHBondContact CG-O 3.49Å
594	M	96	Very high	96.9	Very high	5 Å²	5	15.6 Å²	15.6	3%	0.025	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.9	166.8	-66.4	-173.3	-62.6	0	0	112.2	W135 I136 P172 V300 T592 M646 T647	W135-M594 HydrophobicContact CH2-SD 4.1Å; W135-M594 HydrophobicContact CZ2-SD 3.78Å; I136-M594 HydrophobicContact CD1-CE 4.45Å; P172-M594 WeakPolarHBondContact CD-O 3.37Å; V300-M594 HydrophobicContact CG1-CG 4.31Å; V300-M594 HydrophobicContact CG1-SD 4.22Å; T592-M594 PolarHBondContact O-N 2.68Å; M594-M646 HydrophobicContact CE-CB 3.84Å; M594-M646 HydrophobicContact CE-CE 4.09Å; M594-M646 WeakPolarHBondContact CE-O 3.43Å; M594-M646 HydrophobicContact SD-CE 4.47Å; M594-T647 HydrophobicContact CE-CG2 3.97Å
595	F	97.3	Very high	97	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.018	7%	0.072	C	C	.	.	S	Bend	trans	-105.5	152	174.1	-54.7	-77.6	0	0	0	111.2	H133 P172 R173 L174 P175 C303 T592 R593 D597 G598 M646 T647	H133-F595 AromaticContact CE1-CE1 3.51Å; H133-F595 AromaticContact CE1-CZ 3.5Å; H133-F595 VanDerWaalsContact CE1-CZ 3.5Å; H133-F595 WeakPolarHBondContact CE1-CZ 3.06Å; H133-F595 AromaticContact NE2-CE1 3.88Å; H133-F595 AromaticContact NE2-CZ 3.63Å; P172-F595 HydrophobicContact CB-CD1 4.13Å; P172-F595 HydrophobicContact CB-CE1 4.48Å; P172-F595 HydrophobicContact CG-CD1 3.76Å; P172-F595 HydrophobicContact CG-CE1 4.13Å; P172-F595 CarbonylContact O-C 3.58Å; P172-F595 WeakPolarHBondContact O-CA 3.11Å; R173-F595 VanDerWaalsContact O-CD1 3.28Å; R173-F595 WeakPolarHBondContact O-CD1 3.26Å; L174-F595 HydrophobicContact CB-CB 4.12Å; L174-F595 HydrophobicContact CB-CG 4.2Å; L174-F595 HydrophobicContact CD1-CB 4.22Å; L174-F595 HydrophobicContact CD1-CD1 4.45Å; L174-F595 HydrophobicContact CD1-CD2 3.31Å; L174-F595 HydrophobicContact CD1-CE2 3.71Å; L174-F595 HydrophobicContact CD1-CG 3.73Å; L174-F595 HydrophobicContact CD1-CZ 4.43Å; P175-F595 VanDerWaalsContact CD-CE1 3.43Å; P175-F595 HydrophobicContact CG-CE1 4.33Å; P175-F595 HydrophobicContact CG-CZ 4.31Å; C303-F595 WeakPolarHBondContact CB-O 3.48Å; T592-F595 WeakPolarHBondContact O-CD2 3.49Å; T592-F595 PolarHBondContact O-N 3.47Å; R593-F595 PolarHBondContact O-N 3.35Å; F595-D597 PolarHBondContact O-N 3.42Å; F595-G598 PolarHBondContact O-N 3.3Å; F595-G598 VanDerWaalsContact O-N 3.12Å; F595-M646 WeakPolarHBondContact CE2-O 3.28Å; F595-T647 WeakPolarHBondContact CZ-O 3.33Å
596	R	96.3	Very high	97.1	Very high	90 Å²	90	14.8 Å²	14.8	34%	0.34	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	133.5	174.2	-171.5	172.1	178.3	165.2	-1.7	109.9	Q168 L171 P172 N230 G598	Q168-R596 WeakPolarHBondContact O-CD 3.24Å; L171-R596 HydrophobicContact CB-CB 4Å; P172-R596 PolarHBondContact O-N 3.34Å; N230-R596 PolarHBondContact ND2-O 3.3Å; R596-G598 PolarHBondContact O-N 2.9Å
597	D	95.9	Very high	97.1	Very high	33 Å²	33	15.1 Å²	15.1	18%	0.176	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	20	-176.3	-52.3	-37.1	0	0	0	114.3	T229 N230 S233 C303 T305 F595	T229-D597 WeakPolarHBondContact CB-OD2 3.37Å; T229-D597 PolarHBondContact OG1-OD2 3.07Å; N230-D597 HydrophobicContact CB-CB 4.05Å; S233-D597 WeakPolarHBondContact CB-O 3.26Å; S233-D597 PolarHBondContact OG-O 3.27Å; C303-D597 PolarHBondContact SG-N 2.96Å; T305-D597 WeakPolarHBondContact CB-OD1 3.49Å; T305-D597 WeakPolarHBondContact CG2-OD1 3.46Å; T305-D597 PolarHBondContact OG1-OD1 2.9Å; F595-D597 PolarHBondContact O-N 3.42Å
598	G	95.9	Very high	97.1	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.01	8%	0.08	C	C	.	.			trans	-65.6	133.7	177.9	0	0	0	0	0	112.4	Q306 R593 F595 R596	Q306-G598 PolarHBondContact NE2-O 2.97Å; R593-G598 WeakPolarHBondContact CG-O 3.49Å; F595-G598 PolarHBondContact O-N 3.3Å; F595-G598 VanDerWaalsContact O-N 3.12Å; R596-G598 PolarHBondContact O-N 2.9Å
599	R	95.3	Very high	97.1	Very high	12 Å²	12	17 Å²	17	5%	0.045	9%	0.087	C	C	.	.			trans	-106	-97.8	169.1	-70.9	-149.6	54	179.3	-13.4	110	H471 S472 A474 D475 M591 T592	H471-R599 PolarHBondContact CE1-NH2 2.87Å; H471-R599 PolarHBondContact ND1-NH2 2.78Å; H471-R599 PolarHBondContact O-NH1 2.66Å; H471-R599 PolarHBondContact O-NH2 2.94Å; S472-R599 PolarHBondContact O-NH1 2.84Å; A474-R599 PolarHBondContact O-NH2 2.76Å; D475-R599 VanDerWaalsContact CG-NH2 3.3Å; D475-R599 IonicContact OD1-CZ 3.65Å; D475-R599 IonicContact OD1-NE 3.89Å; D475-R599 PolarHBondContact OD1-NE 3.01Å; D475-R599 IonicContact OD1-NH2 3.53Å; D475-R599 PolarHBondContact OD1-NH2 3.1Å; D475-R599 IonicContact OD2-CZ 3.89Å; D475-R599 IonicContact OD2-NE 2.66Å; D475-R599 PolarHBondContact OD2-NE 2.79Å; D475-R599 VanDerWaalsContact OD2-NE 3.07Å; D475-R599 IonicContact OD2-NH2 2.95Å; M591-R599 WeakPolarHBondContact CA-O 3.42Å; T592-R599 PolarHBondContact N-O 3.35Å; T592-R599 PolarHBondContact OG1-N 3.07Å; T592-R599 PolarHBondContact OG1-O 3.2Å
600	T	96.6	Very high	97.2	Very high	8 Å²	8	15.6 Å²	15.6	5%	0.049	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.4	-172	57.1	0	0	0	0	112.3	D475 S589 S590 R653	D475-T600 VanDerWaalsContact OD1-CG2 3.31Å; D475-T600 WeakPolarHBondContact OD1-CG2 3.4Å; S589-T600 WeakPolarHBondContact OG-CG2 3.28Å; S590-T600 CarbonylContact O-C 3.43Å; S590-T600 VanDerWaalsContact O-CA 3.26Å; S590-T600 WeakPolarHBondContact O-CA 3.44Å; T600-R653 PolarHBondContact O-NE 2.71Å; T600-R653 VanDerWaalsContact O-NE 3.13Å; T600-R653 PolarHBondContact OG1-NH2 3.15Å
601	E	97.9	Very high	97.3	Very high	6 Å²	6	16 Å²	16	3%	0.028	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	162.6	163.7	178.4	57.5	-78.8	0	0	107.8	S590 T592 A645 G650 R653	S590-E601 PolarHBondContact N-O 2.91Å; S590-E601 PolarHBondContact O-N 3.02Å; T592-E601 HydrophobicContact CG2-CB 3.64Å; E601-A645 HydrophobicContact CB-CB 4.18Å; E601-A645 HydrophobicContact CG-CB 3.79Å; E601-G650 WeakPolarHBondContact OE2-CA 3.2Å; E601-R653 WeakPolarHBondContact OE1-CG 3.27Å; E601-R653 PolarHBondContact OE1-N 2.83Å; E601-R653 IonicContact OE1-NH1 3.05Å
602	T	98	Very high	97.5	Very high	7 Å²	7	15.6 Å²	15.6	4%	0.043	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.3	178.1	-55.1	0	0	0	0	111.6	Y587 R604 D652 R653 W680	Y587-T602 HydrophobicContact CD2-CG2 3.44Å; Y587-T602 VanDerWaalsContact CD2-CG2 3.44Å; Y587-T602 WeakPolarHBondContact CD2-OG1 3.07Å; Y587-T602 HydrophobicContact CE2-CG2 3.83Å; Y587-T602 WeakPolarHBondContact CE2-OG1 3.47Å; Y587-T602 HydrophobicContact CG-CG2 4.14Å; T602-R604 HydrophobicContact CG2-CG 4.19Å; T602-D652 WeakPolarHBondContact CB-OD2 3.21Å; T602-D652 WeakPolarHBondContact OG1-CB 3.33Å; T602-R653 PolarHBondContact OG1-NH1 2.77Å; T602-W680 HydrophobicContact CG2-CH2 3.75Å; T602-W680 HydrophobicContact CG2-CZ2 4.38Å; T602-W680 HydrophobicContact CG2-CZ3 4.02Å
603	V	98.5	Very high	97.6	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.8	160	179	0	0	0	0	107.5	E588 S605 M641 Y642 A645	E588-V603 HydrophobicContact CB-CB 4.07Å; E588-V603 HydrophobicContact CG-CB 4.41Å; E588-V603 PolarHBondContact N-O 3.37Å; E588-V603 PolarHBondContact O-N 3.13Å; V603-S605 PolarHBondContact O-N 2.94Å; V603-M641 HydrophobicContact CG1-CB 4.09Å; V603-M641 HydrophobicContact CG1-CE 4.15Å; V603-Y642 HydrophobicContact CG2-CD2 3.82Å; V603-Y642 HydrophobicContact CG2-CG 4.3Å; V603-A645 HydrophobicContact CG2-CB 3.69Å
604	R	98.2	Very high	97.7	Very high	12 Å²	12	15.1 Å²	15.1	5%	0.045	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	88	178.9	-65.6	-177.4	174.6	-135.8	-8.5	109.3	S189 T586 T602 C606 M641 D652 W680	S189-R604 WeakPolarHBondContact OG-CD 3.39Å; S189-R604 PolarHBondContact OG-NH1 2.89Å; T586-R604 WeakPolarHBondContact O-CA 3.38Å; T602-R604 HydrophobicContact CG2-CG 4.19Å; R604-C606 VanDerWaalsContact C-N 3.25Å; R604-C606 PolarHBondContact O-N 2.98Å; R604-M641 WeakPolarHBondContact O-CE 3.17Å; R604-D652 IonicContact CZ-OD1 3.21Å; R604-D652 IonicContact CZ-OD2 2.64Å; R604-D652 IonicContact NE-OD1 2.61Å; R604-D652 PolarHBondContact NE-OD1 3.28Å; R604-D652 IonicContact NE-OD2 3.03Å; R604-D652 PolarHBondContact NE-OD2 2.81Å; R604-D652 IonicContact NH2-OD1 2.9Å; R604-D652 PolarHBondContact NH2-OD1 3.02Å; R604-D652 IonicContact NH2-OD2 2.88Å; R604-W680 HydrophobicContact CG-CH2 4.02Å; R604-W680 HydrophobicContact CG-CZ3 4.16Å
605	S	98.1	Very high	97.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	10%	0.104	C	C	.	.			trans	-65.4	-23.1	-168.7	-46.8	0	0	0	0	114.5	Q569 T586 V603 T607	Q569-S605 PolarHBondContact OE1-OG 2.84Å; T586-S605 PolarHBondContact O-N 2.87Å; V603-S605 PolarHBondContact O-N 2.94Å; S605-T607 PolarHBondContact O-N 3.21Å; S605-T607 VanDerWaalsContact O-N 3.09Å
606	C	98.4	Very high	97.9	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.027	11%	0.107	C	C	.	.			trans	-81.8	83	177.4	-162.9	0	0	0	0	110.8	P192 L193 Q573 C584 R604	P192-C606 WeakPolarHBondContact CG-O 3.43Å; L193-C606 HydrophobicContact CD2-CB 4.31Å; Q573-C606 VanDerWaalsContact OE1-CA 3.31Å; Q573-C606 PolarHBondContact OE1-SG 3.3Å; C584-C606 WeakPolarHBondContact O-CB 3.38Å; R604-C606 VanDerWaalsContact C-N 3.25Å; R604-C606 PolarHBondContact O-N 2.98Å
607	T	98.6	Very high	98	Very high	7 Å²	7	16 Å²	16	4%	0.043	10%	0.095	C	C	.	.			trans	-97.3	168.3	175.8	74.2	0	0	0	0	112.6	S605 E609 A610 A611 K637 M641	S605-T607 PolarHBondContact O-N 3.21Å; S605-T607 VanDerWaalsContact O-N 3.09Å; T607-E609 WeakPolarHBondContact CB-OE2 3.32Å; T607-E609 PolarHBondContact O-N 3.02Å; T607-E609 PolarHBondContact OG1-N 2.88Å; T607-E609 PolarHBondContact OG1-OE2 2.8Å; T607-A610 PolarHBondContact O-N 2.77Å; T607-A610 PolarHBondContact OG1-N 3.05Å; T607-A610 VanDerWaalsContact OG1-N 3.12Å; T607-A611 WeakPolarHBondContact O-CB 3.48Å; T607-A611 PolarHBondContact O-N 2.75Å; T607-K637 HydrophobicContact CG2-CG 4.09Å; T607-M641 HydrophobicContact CG2-CE 3.2Å; T607-M641 HydrophobicContact CG2-SD 3.56Å; T607-M641 VanDerWaalsContact CG2-SD 3.56Å
608	S	98.6	Very high	98.1	Very high	44 Å²	44	18.4 Å²	18.4	31%	0.308	11%	0.105	S	C	.	.	H	α-helix	trans	-58.7	-35.6	171.9	-63.3	0	0	0	0	112.2	A612	S608-A612 WeakPolarHBondContact O-CB 3.47Å; S608-A612 PolarHBondContact O-N 2.74Å
609	E	98.8	Very high	98.2	Very high	31 Å²	31	21.5 Å²	21.5	15%	0.145	12%	0.121	C	C	.	.	H	α-helix	trans	-68.8	-42.9	174.9	-61.1	82.7	173.1	0	0	112.4	T607 A612 F613 K633 A634 K637	T607-E609 WeakPolarHBondContact CB-OE2 3.32Å; T607-E609 PolarHBondContact O-N 3.02Å; T607-E609 PolarHBondContact OG1-N 2.88Å; T607-E609 PolarHBondContact OG1-OE2 2.8Å; E609-A612 PolarHBondContact O-N 3.5Å; E609-F613 WeakPolarHBondContact O-CB 3.36Å; E609-F613 PolarHBondContact O-N 3.01Å; E609-K633 HydrophobicContact CG-CD 4.12Å; E609-K633 HydrophobicContact CG-CG 4.06Å; E609-A634 HydrophobicContact CB-CB 4.03Å; E609-K637 HydrophobicContact CB-CB 4.39Å; E609-K637 HydrophobicContact CG-CB 4.26Å; E609-K637 HydrophobicContact CG-CG 4.42Å; E609-K637 WeakPolarHBondContact OE2-CG 3.47Å
610	A	98.8	Very high	98.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-45	174.1	0	0	0	0	0	111	L570 Q573 T607 A612 F613 V614	L570-A610 HydrophobicContact CD2-CB 3.81Å; Q573-A610 HydrophobicContact CG-CB 4.25Å; T607-A610 PolarHBondContact O-N 2.77Å; T607-A610 PolarHBondContact OG1-N 3.05Å; T607-A610 VanDerWaalsContact OG1-N 3.12Å; A610-A612 PolarHBondContact O-N 2.86Å; A610-F613 PolarHBondContact O-N 2.9Å; A610-V614 WeakPolarHBondContact O-CB 3.39Å; A610-V614 VanDerWaalsContact O-CG2 3.28Å; A610-V614 WeakPolarHBondContact O-CG2 3.44Å; A610-V614 PolarHBondContact O-N 3.47Å
611	A	98.8	Very high	98.3	Very high	8 Å²	8	32.7 Å²	32.7	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-45.9	176.4	0	0	0	0	0	112	P192 F583 T607 F613 V614 L615	P192-A611 HydrophobicContact CB-CB 3.83Å; F583-A611 HydrophobicContact CD1-CB 4.37Å; F583-A611 HydrophobicContact CD2-CB 4.25Å; F583-A611 HydrophobicContact CE1-CB 3.91Å; F583-A611 HydrophobicContact CE2-CB 3.78Å; F583-A611 HydrophobicContact CZ-CB 3.6Å; T607-A611 WeakPolarHBondContact O-CB 3.48Å; T607-A611 PolarHBondContact O-N 2.75Å; A611-F613 VanDerWaalsContact C-N 3.34Å; A611-F613 PolarHBondContact O-N 3.32Å; A611-V614 PolarHBondContact O-N 3.28Å; A611-L615 WeakPolarHBondContact O-CB 3.29Å; A611-L615 VanDerWaalsContact O-CG 3.29Å; A611-L615 WeakPolarHBondContact O-CG 3.45Å; A611-L615 PolarHBondContact O-N 2.96Å
612	A	98.8	Very high	98.2	Very high	40 Å²	40	32.9 Å²	32.9	33%	0.331	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-42.1	176.5	0	0	0	0	0	112.3	S608 E609 A610 A616 L630	S608-A612 WeakPolarHBondContact O-CB 3.47Å; S608-A612 PolarHBondContact O-N 2.74Å; E609-A612 PolarHBondContact O-N 3.5Å; A610-A612 PolarHBondContact O-N 2.86Å; A612-A616 WeakPolarHBondContact O-CB 3.44Å; A612-A616 PolarHBondContact O-N 3.18Å; A612-L630 HydrophobicContact CB-CD2 4.28Å
613	F	98.8	Very high	98.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-47.9	173.8	157.2	-108.7	0	0	0	111.8	L570 L574 E609 A610 A611 A616 M617 L630 F631 A634 I759	L570-F613 HydrophobicContact CB-CD1 4.47Å; L570-F613 HydrophobicContact CB-CE1 4.16Å; L570-F613 HydrophobicContact CD2-CD1 4.42Å; L574-F613 HydrophobicContact CB-CE1 4.49Å; L574-F613 HydrophobicContact CD2-CZ 4.41Å; E609-F613 WeakPolarHBondContact O-CB 3.36Å; E609-F613 PolarHBondContact O-N 3.01Å; A610-F613 PolarHBondContact O-N 2.9Å; A611-F613 VanDerWaalsContact C-N 3.34Å; A611-F613 PolarHBondContact O-N 3.32Å; F613-A616 PolarHBondContact O-N 3.33Å; F613-M617 HydrophobicContact CD2-CG 4Å; F613-M617 HydrophobicContact CE1-CG 4.46Å; F613-M617 HydrophobicContact CE2-CG 3.33Å; F613-M617 HydrophobicContact CE2-SD 3.8Å; F613-M617 HydrophobicContact CZ-CG 3.59Å; F613-M617 HydrophobicContact CZ-SD 4.28Å; F613-M617 WeakPolarHBondContact O-CG 3.34Å; F613-M617 PolarHBondContact O-N 2.94Å; F613-L630 HydrophobicContact CB-CB 4.07Å; F613-F631 HydrophobicContact CD2-CB 3.64Å; F613-F631 HydrophobicContact CD2-CD2 4.21Å; F613-F631 HydrophobicContact CD2-CG 4.45Å; F613-F631 HydrophobicContact CE1-CD2 4.15Å; F613-F631 HydrophobicContact CE2-CB 3.72Å; F613-F631 AromaticContact CE2-CD2 3.77Å; F613-F631 HydrophobicContact CE2-CD2 3.77Å; F613-F631 HydrophobicContact CE2-CG 4.21Å; F613-F631 HydrophobicContact CG-CB 4.41Å; F613-F631 AromaticContact CZ-CD2 3.76Å; F613-F631 HydrophobicContact CZ-CD2 3.76Å; F613-A634 HydrophobicContact CB-CB 4.14Å; F613-I759 HydrophobicContact CE1-CD1 4.31Å; F613-I759 HydrophobicContact CZ-CD1 3.93Å; F613-I759 HydrophobicContact CZ-CG1 3.79Å
614	V	98.8	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-46.1	-179.5	168.1	0	0	0	0	111.2	Q573 L574 F577 F583 A610 A611 A616 M617 E618	Q573-V614 HydrophobicContact CB-CG2 3.99Å; L574-V614 HydrophobicContact CB-CG2 4.13Å; L574-V614 HydrophobicContact CD1-CG1 4.05Å; L574-V614 HydrophobicContact CD1-CG2 4.46Å; F577-V614 HydrophobicContact CB-CG1 3.43Å; F577-V614 VanDerWaalsContact CB-CG1 3.43Å; F577-V614 HydrophobicContact CD1-CG1 3.62Å; F577-V614 HydrophobicContact CD2-CG1 4.27Å; F577-V614 HydrophobicContact CE1-CG1 4.46Å; F577-V614 HydrophobicContact CG-CG1 3.5Å; F583-V614 HydrophobicContact CE1-CB 3.98Å; F583-V614 HydrophobicContact CE1-CG1 3.85Å; F583-V614 HydrophobicContact CE1-CG2 4.45Å; F583-V614 HydrophobicContact CZ-CB 4.15Å; F583-V614 HydrophobicContact CZ-CG1 4.03Å; A610-V614 WeakPolarHBondContact O-CB 3.39Å; A610-V614 VanDerWaalsContact O-CG2 3.28Å; A610-V614 WeakPolarHBondContact O-CG2 3.44Å; A610-V614 PolarHBondContact O-N 3.47Å; A611-V614 PolarHBondContact O-N 3.28Å; V614-A616 VanDerWaalsContact C-N 3.31Å; V614-A616 PolarHBondContact O-N 2.7Å; V614-M617 WeakPolarHBondContact O-CB 3.38Å; V614-M617 PolarHBondContact O-N 3.36Å; V614-M617 VanDerWaalsContact O-N 3.09Å; V614-E618 PolarHBondContact O-N 2.79Å
615	L	98.6	Very high	97.9	Very high	89 Å²	89	41 Å²	41	47%	0.466	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-41.5	176.7	-69.2	171.9	0	0	0	111.6	F577 F583 A611 M617 E618 D619	F577-L615 HydrophobicContact CE1-CD2 4.35Å; F577-L615 HydrophobicContact CE2-CD2 4.32Å; F577-L615 HydrophobicContact CZ-CD2 3.81Å; F583-L615 HydrophobicContact CE2-CD1 4.35Å; F583-L615 HydrophobicContact CE2-CD2 4.25Å; F583-L615 HydrophobicContact CE2-CG 4.19Å; F583-L615 HydrophobicContact CZ-CD2 4.31Å; F583-L615 HydrophobicContact CZ-CG 4.06Å; A611-L615 WeakPolarHBondContact O-CB 3.29Å; A611-L615 VanDerWaalsContact O-CG 3.29Å; A611-L615 WeakPolarHBondContact O-CG 3.45Å; A611-L615 PolarHBondContact O-N 2.96Å; L615-M617 VanDerWaalsContact C-N 3.28Å; L615-M617 PolarHBondContact O-N 3.43Å; L615-E618 PolarHBondContact O-N 2.59Å; L615-E618 VanDerWaalsContact O-N 3.17Å; L615-D619 WeakPolarHBondContact O-CB 3.4Å; L615-D619 PolarHBondContact O-N 3.4Å
616	A	98.7	Very high	97.8	Very high	10 Å²	10	45.8 Å²	45.8	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-66.7	-27.1	176.3	0	0	0	0	0	113.6	A612 F613 V614 E618 A622 R627 L630	A612-A616 WeakPolarHBondContact O-CB 3.44Å; A612-A616 PolarHBondContact O-N 3.18Å; F613-A616 PolarHBondContact O-N 3.33Å; V614-A616 VanDerWaalsContact C-N 3.31Å; V614-A616 PolarHBondContact O-N 2.7Å; A616-E618 VanDerWaalsContact C-N 3.32Å; A616-A622 HydrophobicContact CB-CB 4.34Å; A616-A622 VanDerWaalsContact O-CB 3.3Å; A616-A622 WeakPolarHBondContact O-CB 3.35Å; A616-R627 HydrophobicContact CB-CG 4.27Å; A616-R627 VanDerWaalsContact O-CG 3.31Å; A616-R627 WeakPolarHBondContact O-CG 3.4Å; A616-R627 PolarHBondContact O-NE 2.93Å; A616-L630 HydrophobicContact CB-CD1 3.4Å; A616-L630 VanDerWaalsContact CB-CD1 3.4Å
617	M	98.4	Very high	97.8	Very high	20 Å²	20	47.6 Å²	47.6	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-29.8	173.8	-75.2	-64.7	-63	0	0	112.5	L574 F613 V614 L615 R627 D758 L762	L574-M617 HydrophobicContact CD1-CB 3.76Å; L574-M617 HydrophobicContact CD1-CG 4.36Å; L574-M617 HydrophobicContact CD2-CB 4.25Å; L574-M617 HydrophobicContact CD2-CE 4.01Å; L574-M617 HydrophobicContact CD2-CG 4.14Å; F613-M617 HydrophobicContact CD2-CG 4Å; F613-M617 HydrophobicContact CE1-CG 4.46Å; F613-M617 HydrophobicContact CE2-CG 3.33Å; F613-M617 HydrophobicContact CE2-SD 3.8Å; F613-M617 HydrophobicContact CZ-CG 3.59Å; F613-M617 HydrophobicContact CZ-SD 4.28Å; F613-M617 WeakPolarHBondContact O-CG 3.34Å; F613-M617 PolarHBondContact O-N 2.94Å; V614-M617 WeakPolarHBondContact O-CB 3.38Å; V614-M617 PolarHBondContact O-N 3.36Å; V614-M617 VanDerWaalsContact O-N 3.09Å; L615-M617 VanDerWaalsContact C-N 3.28Å; L615-M617 PolarHBondContact O-N 3.43Å; M617-R627 HydrophobicContact SD-CB 4.02Å; M617-R627 HydrophobicContact SD-CG 4.07Å; M617-D758 HydrophobicContact CE-CB 3.79Å; M617-L762 HydrophobicContact SD-CD1 3.85Å; M617-L762 HydrophobicContact SD-CD2 4.37Å; M617-L762 HydrophobicContact SD-CG 4.5Å
618	E	97.8	Very high	97.8	Very high	83 Å²	83	47.7 Å²	47.7	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-94.8	-13.5	179.9	-58.7	-54.9	116.6	0	0	113.3	L574 F577 R578 V614 L615 A616 P620	L574-E618 HydrophobicContact CD1-CG 4.48Å; F577-E618 HydrophobicContact CD1-CG 4.1Å; F577-E618 HydrophobicContact CE1-CG 4.14Å; R578-E618 IonicContact CZ-OE1 2.85Å; R578-E618 IonicContact NE-OE1 2.78Å; R578-E618 PolarHBondContact NE-OE1 2.86Å; R578-E618 IonicContact NE-OE2 3.26Å; R578-E618 IonicContact NH2-OE1 3.2Å; R578-E618 PolarHBondContact NH2-OE1 2.89Å; V614-E618 PolarHBondContact O-N 2.79Å; L615-E618 PolarHBondContact O-N 2.59Å; L615-E618 VanDerWaalsContact O-N 3.17Å; A616-E618 VanDerWaalsContact C-N 3.32Å; E618-P620 WeakPolarHBondContact O-CD 3.31Å
619	D	97.7	Very high	97.8	Very high	65 Å²	65	48.4 Å²	48.4	35%	0.348	28%	0.284	S	S	.	.			trans	-76.1	116.9	175.3	179.4	-0	0	0	0	111	L615 D621 A622 R627	L615-D619 WeakPolarHBondContact O-CB 3.4Å; L615-D619 PolarHBondContact O-N 3.4Å; D619-D621 PolarHBondContact O-N 2.84Å; D619-D621 WeakPolarHBondContact OD1-CB 3.32Å; D619-D621 PolarHBondContact OD1-N 2.98Å; D619-A622 HydrophobicContact CB-CB 3.9Å; D619-A622 PolarHBondContact O-N 2.8Å; D619-R627 PolarHBondContact O-NH2 3.19Å
620	P	95.8	Very high	97.8	Very high	114 Å²	114	49.5 Å²	49.5	74%	0.74	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.4	178.8	28	-35.1	0	0	0	113.5	E618	E618-P620 WeakPolarHBondContact O-CD 3.31Å
621	D	97.3	Very high	97.8	Very high	141 Å²	141	49.4 Å²	49.4	75%	0.754	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.1	-177.4	-62.8	-38.2	0	0	0	112.3	D619 T623	D619-D621 PolarHBondContact O-N 2.84Å; D619-D621 WeakPolarHBondContact OD1-CB 3.32Å; D619-D621 PolarHBondContact OD1-N 2.98Å; D621-T623 PolarHBondContact O-N 3.17Å
622	A	97.1	Very high	97.7	Very high	11 Å²	11	53.7 Å²	53.7	9%	0.091	30%	0.304	C	S	.	.			trans	-71.3	125.9	177.7	0	0	0	0	0	111.9	A616 D619 R627	A616-A622 HydrophobicContact CB-CB 4.34Å; A616-A622 VanDerWaalsContact O-CB 3.3Å; A616-A622 WeakPolarHBondContact O-CB 3.35Å; D619-A622 HydrophobicContact CB-CB 3.9Å; D619-A622 PolarHBondContact O-N 2.8Å; A622-R627 HydrophobicContact CB-CG 4.34Å; A622-R627 PolarHBondContact O-NE 3.2Å; A622-R627 PolarHBondContact O-NH1 2.95Å; A622-R627 PolarHBondContact O-NH2 3.41Å
623	T	96.3	Very high	97.7	Very high	74 Å²	74	57.9 Å²	57.9	45%	0.454	32%	0.315	S	S	.	.			trans	-73	154.3	175.4	67.3	0	0	0	0	111.8	D621 A625 Q626 R627	D621-T623 PolarHBondContact O-N 3.17Å; T623-A625 PolarHBondContact O-N 3.34Å; T623-Q626 WeakPolarHBondContact O-CB 3.45Å; T623-Q626 PolarHBondContact O-N 3.22Å; T623-Q626 WeakPolarHBondContact OG1-CG 3.36Å; T623-Q626 PolarHBondContact OG1-N 2.83Å; T623-Q626 PolarHBondContact OG1-OE1 2.95Å; T623-R627 WeakPolarHBondContact O-CG 3.45Å; T623-R627 PolarHBondContact O-N 3.46Å
624	N	95.5	Very high	97.7	Very high	50 Å²	50	58 Å²	58	27%	0.267	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-26.5	176	-68.9	-21.9	0	0	0	113.3	R627 L628 L762 Q765	N624-R627 PolarHBondContact OD1-NH1 3.49Å; N624-L628 VanDerWaalsContact O-CB 3.24Å; N624-L628 WeakPolarHBondContact O-CB 3.08Å; N624-L628 PolarHBondContact O-N 3.29Å; N624-L762 HydrophobicContact CB-CD2 4.11Å; N624-Q765 PolarHBondContact ND2-OE1 3.23Å
625	A	95.6	Very high	97.7	Very high	66 Å²	66	58.2 Å²	58.2	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-43.5	173.3	0	0	0	0	0	111.7	T623 L628 A629	T623-A625 PolarHBondContact O-N 3.34Å; A625-L628 PolarHBondContact O-N 3.41Å; A625-A629 WeakPolarHBondContact O-CB 3.34Å; A625-A629 PolarHBondContact O-N 2.83Å
626	Q	97.4	Very high	97.6	Very high	104 Å²	104	59 Å²	59	49%	0.486	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-47.2	174.8	-73.3	161.4	-47	0	0	111.3	T623 L628 A629 L630	T623-Q626 WeakPolarHBondContact O-CB 3.45Å; T623-Q626 PolarHBondContact O-N 3.22Å; T623-Q626 WeakPolarHBondContact OG1-CG 3.36Å; T623-Q626 PolarHBondContact OG1-N 2.83Å; T623-Q626 PolarHBondContact OG1-OE1 2.95Å; Q626-L628 VanDerWaalsContact C-N 3.33Å; Q626-L628 PolarHBondContact O-N 3.21Å; Q626-A629 PolarHBondContact O-N 2.94Å; Q626-L630 WeakPolarHBondContact O-CG 3.39Å; Q626-L630 PolarHBondContact O-N 2.92Å
627	R	98.4	Very high	97.6	Very high	41 Å²	41	60.2 Å²	60.2	16%	0.155	33%	0.326	C	S	.	.	H	α-helix	trans	-55.5	-47.1	176.1	-69.1	172.5	-179.8	150.6	0.3	111.8	A616 M617 D619 A622 T623 N624 L630 F631 L762	A616-R627 HydrophobicContact CB-CG 4.27Å; A616-R627 VanDerWaalsContact O-CG 3.31Å; A616-R627 WeakPolarHBondContact O-CG 3.4Å; A616-R627 PolarHBondContact O-NE 2.93Å; M617-R627 HydrophobicContact SD-CB 4.02Å; M617-R627 HydrophobicContact SD-CG 4.07Å; D619-R627 PolarHBondContact O-NH2 3.19Å; A622-R627 HydrophobicContact CB-CG 4.34Å; A622-R627 PolarHBondContact O-NE 3.2Å; A622-R627 PolarHBondContact O-NH1 2.95Å; A622-R627 PolarHBondContact O-NH2 3.41Å; T623-R627 WeakPolarHBondContact O-CG 3.45Å; T623-R627 PolarHBondContact O-N 3.46Å; N624-R627 PolarHBondContact OD1-NH1 3.49Å; R627-L630 PolarHBondContact O-N 3.11Å; R627-F631 WeakPolarHBondContact O-CB 3.4Å; R627-F631 PolarHBondContact O-N 3.38Å; R627-L762 HydrophobicContact CB-CD1 4.08Å; R627-L762 HydrophobicContact CB-CD2 3.94Å
628	L	97.9	Very high	97.6	Very high	9 Å²	9	59.4 Å²	59.4	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-39.2	179.4	-177.9	59.1	0	0	0	112.8	N624 A625 Q626 F631 R632 L762 F763 E766	N624-L628 VanDerWaalsContact O-CB 3.24Å; N624-L628 WeakPolarHBondContact O-CB 3.08Å; N624-L628 PolarHBondContact O-N 3.29Å; A625-L628 PolarHBondContact O-N 3.41Å; Q626-L628 VanDerWaalsContact C-N 3.33Å; Q626-L628 PolarHBondContact O-N 3.21Å; L628-F631 PolarHBondContact O-N 2.98Å; L628-R632 WeakPolarHBondContact O-CG 3.24Å; L628-R632 PolarHBondContact O-N 3.22Å; L628-L762 HydrophobicContact CB-CB 4.38Å; L628-L762 HydrophobicContact CD1-CB 4.14Å; L628-F763 HydrophobicContact CD1-CD1 3.94Å; L628-F763 HydrophobicContact CD1-CD2 4.13Å; L628-F763 HydrophobicContact CD1-CE1 3.57Å; L628-F763 HydrophobicContact CD1-CE2 3.75Å; L628-F763 HydrophobicContact CD1-CG 4.22Å; L628-F763 HydrophobicContact CD1-CZ 3.45Å; L628-F763 VanDerWaalsContact CD1-CZ 3.45Å; L628-E766 HydrophobicContact CD2-CB 4.22Å; L628-E766 HydrophobicContact CD2-CG 4.36Å
629	A	98.1	Very high	97.5	Very high	59 Å²	59	57.8 Å²	57.8	49%	0.488	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-43.7	176	0	0	0	0	0	111.7	A625 Q626 R632 K633	A625-A629 WeakPolarHBondContact O-CB 3.34Å; A625-A629 PolarHBondContact O-N 2.83Å; Q626-A629 PolarHBondContact O-N 2.94Å; A629-R632 PolarHBondContact O-N 2.95Å; A629-K633 PolarHBondContact O-N 3.36Å; A629-K633 VanDerWaalsContact O-N 3.13Å
630	L	98.8	Very high	97.5	Very high	54 Å²	54	57.6 Å²	57.6	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-66.4	-40.9	175.9	-69.8	169.5	0	0	0	111.8	A612 F613 A616 Q626 R627 R632 K633 A634	A612-L630 HydrophobicContact CB-CD2 4.28Å; F613-L630 HydrophobicContact CB-CB 4.07Å; A616-L630 HydrophobicContact CB-CD1 3.4Å; A616-L630 VanDerWaalsContact CB-CD1 3.4Å; Q626-L630 WeakPolarHBondContact O-CG 3.39Å; Q626-L630 PolarHBondContact O-N 2.92Å; R627-L630 PolarHBondContact O-N 3.11Å; L630-R632 PolarHBondContact O-N 3.43Å; L630-K633 PolarHBondContact O-N 3.28Å; L630-A634 WeakPolarHBondContact O-CB 3.46Å; L630-A634 PolarHBondContact O-N 2.83Å
631	F	98.7	Very high	97.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.9	-48.8	173.5	175.6	-95.4	0	0	0	111.8	T562 F567 L570 F613 R627 L628 K633 A634 A635 I759 F763	T562-F631 HydrophobicContact CG2-CE1 3.88Å; T562-F631 HydrophobicContact CG2-CZ 3.95Å; F567-F631 HydrophobicContact CB-CZ 4.49Å; F567-F631 HydrophobicContact CD2-CE1 4.38Å; F567-F631 HydrophobicContact CD2-CE2 4.44Å; F567-F631 AromaticContact CD2-CZ 3.62Å; F567-F631 HydrophobicContact CD2-CZ 3.62Å; F567-F631 HydrophobicContact CE2-CZ 4.15Å; F567-F631 HydrophobicContact CG-CZ 4.24Å; L570-F631 HydrophobicContact CB-CE2 4.07Å; L570-F631 HydrophobicContact CD1-CD2 3.76Å; L570-F631 HydrophobicContact CD1-CE2 3.54Å; L570-F631 HydrophobicContact CD1-CZ 4.19Å; L570-F631 HydrophobicContact CG-CE2 4.48Å; F613-F631 HydrophobicContact CD2-CB 3.64Å; F613-F631 HydrophobicContact CD2-CD2 4.21Å; F613-F631 HydrophobicContact CD2-CG 4.45Å; F613-F631 HydrophobicContact CE1-CD2 4.15Å; F613-F631 HydrophobicContact CE2-CB 3.72Å; F613-F631 AromaticContact CE2-CD2 3.77Å; F613-F631 HydrophobicContact CE2-CD2 3.77Å; F613-F631 HydrophobicContact CE2-CG 4.21Å; F613-F631 HydrophobicContact CG-CB 4.41Å; F613-F631 AromaticContact CZ-CD2 3.76Å; F613-F631 HydrophobicContact CZ-CD2 3.76Å; R627-F631 WeakPolarHBondContact O-CB 3.4Å; R627-F631 PolarHBondContact O-N 3.38Å; L628-F631 PolarHBondContact O-N 2.98Å; F631-K633 VanDerWaalsContact C-N 3.35Å; F631-K633 PolarHBondContact O-N 3.42Å; F631-A634 PolarHBondContact O-N 3.09Å; F631-A635 HydrophobicContact CE1-CB 4.44Å; F631-A635 WeakPolarHBondContact O-CB 3.39Å; F631-A635 PolarHBondContact O-N 2.93Å; F631-I759 HydrophobicContact CD2-CG2 3.81Å; F631-I759 HydrophobicContact CE1-CG2 4.33Å; F631-I759 HydrophobicContact CE2-CD1 4.17Å; F631-I759 HydrophobicContact CE2-CG1 4.45Å; F631-I759 HydrophobicContact CE2-CG2 3.37Å; F631-I759 HydrophobicContact CG-CG2 4.44Å; F631-I759 HydrophobicContact CZ-CG2 3.67Å; F631-F763 AromaticContact CD1-CE2 3.88Å; F631-F763 HydrophobicContact CD1-CE2 3.88Å; F631-F763 AromaticContact CD1-CZ 3.64Å; F631-F763 HydrophobicContact CD1-CZ 3.64Å; F631-F763 AromaticContact CE1-CE2 3.7Å; F631-F763 HydrophobicContact CE1-CE2 3.7Å; F631-F763 AromaticContact CE1-CZ 3.51Å; F631-F763 HydrophobicContact CE1-CZ 3.51Å; F631-F763 HydrophobicContact CZ-CE2 4.44Å
632	R	98.1	Very high	97.5	Very high	98 Å²	98	48.8 Å²	48.8	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-59.2	-45.6	178.5	-74.5	173.3	174.8	158.7	1.9	111.4	L628 A629 L630 A634 A635 D636 E766	L628-R632 WeakPolarHBondContact O-CG 3.24Å; L628-R632 PolarHBondContact O-N 3.22Å; A629-R632 PolarHBondContact O-N 2.95Å; L630-R632 PolarHBondContact O-N 3.43Å; R632-A634 PolarHBondContact O-N 3.47Å; R632-A635 PolarHBondContact O-N 3.32Å; R632-D636 PolarHBondContact O-N 3.32Å; R632-E766 IonicContact CZ-OE1 2.99Å; R632-E766 IonicContact CZ-OE2 3.33Å; R632-E766 IonicContact NH1-OE1 3.51Å; R632-E766 PolarHBondContact NH1-OE1 2.58Å; R632-E766 IonicContact NH2-OE1 2.86Å; R632-E766 PolarHBondContact NH2-OE1 2.81Å; R632-E766 IonicContact NH2-OE2 2.84Å; R632-E766 PolarHBondContact NH2-OE2 3.31Å
633	K	98.6	Very high	97.5	Very high	128 Å²	128	50.2 Å²	50.2	56%	0.557	26%	0.26	S	S	*	.	H	α-helix	trans	-60.9	-45	177.4	-170	-175.7	178	-175.9	0	111.9	E609 A629 L630 F631 K637	E609-K633 HydrophobicContact CG-CD 4.12Å; E609-K633 HydrophobicContact CG-CG 4.06Å; A629-K633 PolarHBondContact O-N 3.36Å; A629-K633 VanDerWaalsContact O-N 3.13Å; L630-K633 PolarHBondContact O-N 3.28Å; F631-K633 VanDerWaalsContact C-N 3.35Å; F631-K633 PolarHBondContact O-N 3.42Å; K633-K637 WeakPolarHBondContact O-CB 2.97Å; K633-K637 PolarHBondContact O-N 3.37Å
634	A	98.8	Very high	97.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-39.8	177.7	0	0	0	0	0	111.8	L570 E609 F613 L630 F631 R632 K637 H638	L570-A634 HydrophobicContact CD1-CB 3.88Å; L570-A634 HydrophobicContact CD2-CB 3.63Å; L570-A634 HydrophobicContact CG-CB 4.43Å; E609-A634 HydrophobicContact CB-CB 4.03Å; F613-A634 HydrophobicContact CB-CB 4.14Å; L630-A634 WeakPolarHBondContact O-CB 3.46Å; L630-A634 PolarHBondContact O-N 2.83Å; F631-A634 PolarHBondContact O-N 3.09Å; R632-A634 PolarHBondContact O-N 3.47Å; A634-K637 PolarHBondContact O-N 3.2Å; A634-H638 WeakPolarHBondContact O-CB 3.34Å; A634-H638 PolarHBondContact O-N 2.97Å
635	A	98.4	Very high	97.6	Very high	5 Å²	5	46.3 Å²	46.3	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-41.2	179.9	0	0	0	0	0	111.7	T562 A566 L570 F631 R632 H638 Q639	T562-A635 HydrophobicContact CG2-CB 3.9Å; A566-A635 HydrophobicContact CB-CB 4.31Å; L570-A635 HydrophobicContact CD1-CB 3.8Å; F631-A635 HydrophobicContact CE1-CB 4.44Å; F631-A635 WeakPolarHBondContact O-CB 3.39Å; F631-A635 PolarHBondContact O-N 2.93Å; R632-A635 PolarHBondContact O-N 3.32Å; A635-H638 PolarHBondContact O-N 3.23Å; A635-Q639 WeakPolarHBondContact O-CB 3.38Å; A635-Q639 PolarHBondContact O-N 2.74Å
636	D	97.3	Very high	97.6	Very high	107 Å²	107	44 Å²	44	57%	0.572	21%	0.214	S	C	*	.	H	α-helix	trans	-65.2	-41.4	175.2	-73.8	-21	0	0	0	111.4	R632 Q639 N640	R632-D636 PolarHBondContact O-N 3.32Å; D636-Q639 PolarHBondContact O-N 3.09Å; D636-N640 WeakPolarHBondContact O-CB 3.41Å; D636-N640 PolarHBondContact O-N 3.05Å
637	K	98	Very high	97.5	Very high	34 Å²	34	39.5 Å²	39.5	15%	0.148	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-50.9	173.6	178	73	178.8	-171.3	0	111	E188 T607 E609 K633 A634 Q639 N640 M641	E188-K637 IonicContact OE1-NZ 3.93Å; E188-K637 PolarHBondContact OE1-NZ 2.88Å; E188-K637 IonicContact OE2-NZ 3.93Å; E188-K637 PolarHBondContact OE2-NZ 3.44Å; T607-K637 HydrophobicContact CG2-CG 4.09Å; E609-K637 HydrophobicContact CB-CB 4.39Å; E609-K637 HydrophobicContact CG-CB 4.26Å; E609-K637 HydrophobicContact CG-CG 4.42Å; E609-K637 WeakPolarHBondContact OE2-CG 3.47Å; K633-K637 WeakPolarHBondContact O-CB 2.97Å; K633-K637 PolarHBondContact O-N 3.37Å; A634-K637 PolarHBondContact O-N 3.2Å; K637-Q639 PolarHBondContact O-N 3.4Å; K637-N640 PolarHBondContact O-N 3.16Å; K637-M641 WeakPolarHBondContact O-CG 3.24Å; K637-M641 PolarHBondContact O-N 2.76Å
638	H	98.4	Very high	97.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-56.8	-49.8	178.9	-171.3	80.7	0	0	0	111.5	D565 A566 Q569 E588 A634 A635 N640 M641 Y642	D565-H638 IonicContact OD2-NE2 3.39Å; A566-H638 HydrophobicContact CB-CB 4.15Å; Q569-H638 WeakPolarHBondContact CG-NE2 3.16Å; E588-H638 IonicContact OE1-NE2 2.74Å; E588-H638 IonicContact OE2-CE1 2.79Å; E588-H638 PolarHBondContact OE2-CE1 3.08Å; E588-H638 IonicContact OE2-NE2 3.85Å; E588-H638 PolarHBondContact OE2-NE2 2.89Å; A634-H638 WeakPolarHBondContact O-CB 3.34Å; A634-H638 PolarHBondContact O-N 2.97Å; A635-H638 PolarHBondContact O-N 3.23Å; H638-N640 VanDerWaalsContact C-N 3.3Å; H638-N640 PolarHBondContact O-N 2.9Å; H638-M641 PolarHBondContact O-N 3.12Å; H638-M641 VanDerWaalsContact O-N 3.16Å; H638-Y642 PolarHBondContact O-N 2.74Å
639	Q	96.4	Very high	97.3	Very high	48 Å²	48	39.2 Å²	39.2	22%	0.224	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-39.4	179	-168.3	-179.7	39.4	0	0	112.1	A635 D636 K637 Y642 R643	A635-Q639 WeakPolarHBondContact O-CB 3.38Å; A635-Q639 PolarHBondContact O-N 2.74Å; D636-Q639 PolarHBondContact O-N 3.09Å; K637-Q639 PolarHBondContact O-N 3.4Å; Q639-Y642 PolarHBondContact O-N 2.89Å; Q639-R643 VanDerWaalsContact O-CG 3.3Å; Q639-R643 WeakPolarHBondContact O-CG 3.21Å; Q639-R643 PolarHBondContact O-N 2.94Å; Q639-R643 VanDerWaalsContact O-N 3.08Å
640	N	96.8	Very high	97.2	Very high	61 Å²	61	36.9 Å²	36.9	33%	0.326	18%	0.181	S	C	.	.	H	α-helix	trans	-64.7	-43.2	175.8	-175.4	56.2	0	0	0	112.1	D636 K637 H638 Y642 R643 L644	D636-N640 WeakPolarHBondContact O-CB 3.41Å; D636-N640 PolarHBondContact O-N 3.05Å; K637-N640 PolarHBondContact O-N 3.16Å; H638-N640 VanDerWaalsContact C-N 3.3Å; H638-N640 PolarHBondContact O-N 2.9Å; N640-Y642 VanDerWaalsContact C-N 3.35Å; N640-Y642 PolarHBondContact O-N 2.82Å; N640-R643 PolarHBondContact O-N 2.92Å; N640-L644 WeakPolarHBondContact O-CG 3.45Å; N640-L644 PolarHBondContact O-N 2.89Å
641	M	97.6	Very high	97.1	Very high	31 Å²	31	34.8 Å²	34.8	15%	0.153	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-41.3	175.8	-68.6	-169.2	-53.5	0	0	112.2	V603 R604 T607 K637 H638 R643 L644 A645	V603-M641 HydrophobicContact CG1-CB 4.09Å; V603-M641 HydrophobicContact CG1-CE 4.15Å; R604-M641 WeakPolarHBondContact O-CE 3.17Å; T607-M641 HydrophobicContact CG2-CE 3.2Å; T607-M641 HydrophobicContact CG2-SD 3.56Å; T607-M641 VanDerWaalsContact CG2-SD 3.56Å; K637-M641 WeakPolarHBondContact O-CG 3.24Å; K637-M641 PolarHBondContact O-N 2.76Å; H638-M641 PolarHBondContact O-N 3.12Å; H638-M641 VanDerWaalsContact O-N 3.16Å; M641-R643 VanDerWaalsContact C-N 3.33Å; M641-R643 PolarHBondContact O-N 3.15Å; M641-L644 WeakPolarHBondContact O-CB 3.14Å; M641-L644 PolarHBondContact O-N 3.49Å; M641-L644 VanDerWaalsContact O-N 3.16Å; M641-A645 WeakPolarHBondContact O-CB 3.46Å; M641-A645 PolarHBondContact O-N 3.33Å
642	Y	96.2	Very high	97.1	Very high	39 Å²	39	35.5 Å²	35.5	15%	0.153	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-43.7	175.9	-161.2	-81.6	0	0	0	111.5	E588 V603 H638 Q639 N640 L644 A645 M646	E588-Y642 HydrophobicContact CG-CE2 4.41Å; V603-Y642 HydrophobicContact CG2-CD2 3.82Å; V603-Y642 HydrophobicContact CG2-CG 4.3Å; H638-Y642 PolarHBondContact O-N 2.74Å; Q639-Y642 PolarHBondContact O-N 2.89Å; N640-Y642 VanDerWaalsContact C-N 3.35Å; N640-Y642 PolarHBondContact O-N 2.82Å; Y642-L644 PolarHBondContact O-N 3.22Å; Y642-A645 PolarHBondContact O-N 2.94Å; Y642-M646 HydrophobicContact CD1-CG 3.84Å; Y642-M646 HydrophobicContact CD1-SD 3.73Å; Y642-M646 HydrophobicContact CE1-CG 3.71Å; Y642-M646 HydrophobicContact CE1-SD 3.48Å; Y642-M646 WeakPolarHBondContact CE1-SD 3.45Å; Y642-M646 WeakPolarHBondContact O-CB 3.5Å; Y642-M646 WeakPolarHBondContact O-CG 3.25Å; Y642-M646 PolarHBondContact O-N 2.83Å
643	R	96.1	Very high	97.1	Very high	41 Å²	41	31 Å²	31	16%	0.155	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-41.6	173.6	-69.1	169.7	179.1	145.3	3	112.3	I136 F137 Q639 N640 M641 T647	I136-R643 HydrophobicContact CD1-CG 4.32Å; I136-R643 HydrophobicContact CG1-CG 4.15Å; I136-R643 HydrophobicContact CG2-CB 4.12Å; I136-R643 HydrophobicContact CG2-CG 4.3Å; I136-R643 WeakPolarHBondContact O-CD 3.22Å; I136-R643 PolarHBondContact O-NE 2.85Å; F137-R643 HydrophobicContact CD1-CB 3.99Å; F137-R643 HydrophobicContact CE1-CB 3.5Å; F137-R643 HydrophobicContact CZ-CB 3.94Å; Q639-R643 VanDerWaalsContact O-CG 3.3Å; Q639-R643 WeakPolarHBondContact O-CG 3.21Å; Q639-R643 PolarHBondContact O-N 2.94Å; Q639-R643 VanDerWaalsContact O-N 3.08Å; N640-R643 PolarHBondContact O-N 2.92Å; M641-R643 VanDerWaalsContact C-N 3.33Å; M641-R643 PolarHBondContact O-N 3.15Å; R643-T647 WeakPolarHBondContact O-CB 3.45Å; R643-T647 WeakPolarHBondContact O-CG2 3.46Å; R643-T647 PolarHBondContact O-N 2.79Å; R643-T647 VanDerWaalsContact O-N 3.15Å; R643-T647 PolarHBondContact O-OG1 2.81Å
644	L	96.9	Very high	97.1	Very high	41 Å²	41	25 Å²	25	22%	0.215	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-45.3	175.4	-72	168.7	0	0	0	111.3	F137 N640 M641 Y642 T647 G648 S649	F137-L644 HydrophobicContact CE1-CD2 4.05Å; F137-L644 HydrophobicContact CE1-CG 4.11Å; F137-L644 HydrophobicContact CZ-CD2 3.92Å; F137-L644 HydrophobicContact CZ-CG 4.32Å; N640-L644 WeakPolarHBondContact O-CG 3.45Å; N640-L644 PolarHBondContact O-N 2.89Å; M641-L644 WeakPolarHBondContact O-CB 3.14Å; M641-L644 PolarHBondContact O-N 3.49Å; M641-L644 VanDerWaalsContact O-N 3.16Å; Y642-L644 PolarHBondContact O-N 3.22Å; L644-T647 CarbonylContact O-C 3.56Å; L644-T647 PolarHBondContact O-N 2.69Å; L644-T647 PolarHBondContact O-OG1 3.13Å; L644-T647 VanDerWaalsContact O-OG1 3.1Å; L644-G648 PolarHBondContact O-N 2.79Å; L644-S649 WeakPolarHBondContact O-CA 3.32Å; L644-S649 WeakPolarHBondContact O-CB 3.11Å; L644-S649 PolarHBondContact O-N 3.28Å
645	A	97	Very high	97.1	Very high	2 Å²	2	25 Å²	25	2%	0.017	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-49.6	177.4	0	0	0	0	0	111.7	E601 V603 M641 Y642 T647 G648	E601-A645 HydrophobicContact CB-CB 4.18Å; E601-A645 HydrophobicContact CG-CB 3.79Å; V603-A645 HydrophobicContact CG2-CB 3.69Å; M641-A645 WeakPolarHBondContact O-CB 3.46Å; M641-A645 PolarHBondContact O-N 3.33Å; Y642-A645 PolarHBondContact O-N 2.94Å; A645-T647 PolarHBondContact O-N 3.42Å; A645-T647 VanDerWaalsContact O-N 3.11Å; A645-G648 PolarHBondContact O-N 2.78Å
646	M	95.4	Very high	97	Very high	18 Å²	18	25.5 Å²	25.5	9%	0.089	13%	0.132	C	C	.	.	H	α-helix	trans	-56.2	-29.8	176.6	-77.2	-168.6	74.2	0	0	113.5	I136 S590 M591 M594 F595 Y642	I136-M646 HydrophobicContact CD1-CB 4.46Å; I136-M646 HydrophobicContact CD1-CE 4.35Å; I136-M646 HydrophobicContact CD1-SD 4.02Å; S590-M646 WeakPolarHBondContact OG-CG 3Å; S590-M646 PolarHBondContact OG-N 2.87Å; M591-M646 HydrophobicContact CE-CE 3.96Å; M591-M646 HydrophobicContact CG-CE 4.42Å; M594-M646 HydrophobicContact CE-CB 3.84Å; M594-M646 HydrophobicContact CE-CE 4.09Å; M594-M646 WeakPolarHBondContact CE-O 3.43Å; M594-M646 HydrophobicContact SD-CE 4.47Å; F595-M646 WeakPolarHBondContact CE2-O 3.28Å; Y642-M646 HydrophobicContact CD1-CG 3.84Å; Y642-M646 HydrophobicContact CD1-SD 3.73Å; Y642-M646 HydrophobicContact CE1-CG 3.71Å; Y642-M646 HydrophobicContact CE1-SD 3.48Å; Y642-M646 WeakPolarHBondContact CE1-SD 3.45Å; Y642-M646 WeakPolarHBondContact O-CB 3.5Å; Y642-M646 WeakPolarHBondContact O-CG 3.25Å; Y642-M646 PolarHBondContact O-N 2.83Å
647	T	95.9	Very high	97.1	Very high	8 Å²	8	20.4 Å²	20.4	5%	0.049	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	16.2	-177	57.6	0	0	0	0	113.2	H133 I136 F137 M594 F595 R643 L644 A645 S649	H133-T647 HydrophobicContact CB-CG2 3.51Å; I136-T647 HydrophobicContact CG2-CG2 3.82Å; F137-T647 HydrophobicContact CE2-CG2 4.32Å; M594-T647 HydrophobicContact CE-CG2 3.97Å; F595-T647 WeakPolarHBondContact CZ-O 3.33Å; R643-T647 WeakPolarHBondContact O-CB 3.45Å; R643-T647 WeakPolarHBondContact O-CG2 3.46Å; R643-T647 PolarHBondContact O-N 2.79Å; R643-T647 VanDerWaalsContact O-N 3.15Å; R643-T647 PolarHBondContact O-OG1 2.81Å; L644-T647 CarbonylContact O-C 3.56Å; L644-T647 PolarHBondContact O-N 2.69Å; L644-T647 PolarHBondContact O-OG1 3.13Å; L644-T647 VanDerWaalsContact O-OG1 3.1Å; A645-T647 PolarHBondContact O-N 3.42Å; A645-T647 VanDerWaalsContact O-N 3.11Å; T647-S649 VanDerWaalsContact C-N 3.31Å; T647-S649 PolarHBondContact O-N 3.2Å
648	G	95.8	Very high	97.1	Very high	4 Å²	4	18.8 Å²	18.8	4%	0.041	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	20.7	174.7	0	0	0	0	0	114	L644 A645	L644-G648 PolarHBondContact O-N 2.79Å; A645-G648 PolarHBondContact O-N 2.78Å
649	S	96.2	Very high	97.1	Very high	41 Å²	41	21.9 Å²	21.9	29%	0.287	11%	0.109	S	C	.	.			trans	-107.7	16.8	178.4	-59.8	0	0	0	0	113.2	K185 L644 T647	K185-S649 PolarHBondContact NZ-O 2.89Å; L644-S649 WeakPolarHBondContact O-CA 3.32Å; L644-S649 WeakPolarHBondContact O-CB 3.11Å; L644-S649 PolarHBondContact O-N 3.28Å; T647-S649 VanDerWaalsContact C-N 3.31Å; T647-S649 PolarHBondContact O-N 3.2Å
650	G	95.9	Very high	97.1	Very high	9 Å²	9	20 Å²	20	9%	0.093	10%	0.101	C	C	.	.			trans	-72.2	174.6	167.5	0	0	0	0	0	112	E601	E601-G650 WeakPolarHBondContact OE2-CA 3.2Å
651	I	97.3	Very high	97.1	Very high	11 Å²	11	17.4 Å²	17.4	6%	0.056	9%	0.088	C	C	.	.	S	Bend	trans	-117.3	-29.2	-170.5	62.8	173.6	0	0	0	113.5	T182 K185 H654 L655	T182-I651 HydrophobicContact CG2-CB 4.05Å; T182-I651 HydrophobicContact CG2-CG2 4.19Å; K185-I651 HydrophobicContact CB-CD1 4.42Å; K185-I651 HydrophobicContact CB-CG2 3.79Å; K185-I651 HydrophobicContact CD-CG2 3.92Å; I651-H654 WeakPolarHBondContact O-CB 3.35Å; I651-H654 PolarHBondContact O-N 2.87Å; I651-L655 HydrophobicContact CB-CD1 4.35Å; I651-L655 VanDerWaalsContact O-CG 3.32Å; I651-L655 WeakPolarHBondContact O-CG 3.33Å; I651-L655 PolarHBondContact O-N 2.99Å
652	D	98.1	Very high	97.1	Very high	15 Å²	15	16 Å²	16	8%	0.08	8%	0.08	C	C	.	.	H	α-helix	trans	-70.7	-45.1	-169.2	-72.9	-90.1	0	0	0	112.2	T602 R604 H654 L655 F656 W680	T602-D652 WeakPolarHBondContact CB-OD2 3.21Å; T602-D652 WeakPolarHBondContact OG1-CB 3.33Å; R604-D652 IonicContact CZ-OD1 3.21Å; R604-D652 IonicContact CZ-OD2 2.64Å; R604-D652 IonicContact NE-OD1 2.61Å; R604-D652 PolarHBondContact NE-OD1 3.28Å; R604-D652 IonicContact NE-OD2 3.03Å; R604-D652 PolarHBondContact NE-OD2 2.81Å; R604-D652 IonicContact NH2-OD1 2.9Å; R604-D652 PolarHBondContact NH2-OD1 3.02Å; R604-D652 IonicContact NH2-OD2 2.88Å; D652-H654 VanDerWaalsContact C-N 3.25Å; D652-H654 PolarHBondContact O-N 3.12Å; D652-L655 PolarHBondContact O-N 3.43Å; D652-F656 VanDerWaalsContact O-CB 3.29Å; D652-F656 WeakPolarHBondContact O-CB 3.43Å; D652-F656 PolarHBondContact O-N 2.9Å; D652-W680 WeakPolarHBondContact OD1-CH2 3.44Å; D652-W680 VanDerWaalsContact OD1-CZ2 3.3Å; D652-W680 WeakPolarHBondContact OD1-CZ2 3.46Å
653	R	97.9	Very high	97	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.015	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-32.9	173.8	-61.6	-55.4	175.3	-76.6	0.9	112.3	V232 Y587 T600 E601 T602 C657	V232-R653 HydrophobicContact CG1-CB 3.95Å; V232-R653 HydrophobicContact CG1-CG 3.97Å; V232-R653 HydrophobicContact CG2-CB 4.05Å; Y587-R653 PolarHBondContact OH-NH2 2.73Å; Y587-R653 VanDerWaalsContact OH-NH2 3.16Å; T600-R653 PolarHBondContact O-NE 2.71Å; T600-R653 VanDerWaalsContact O-NE 3.13Å; T600-R653 PolarHBondContact OG1-NH2 3.15Å; E601-R653 WeakPolarHBondContact OE1-CG 3.27Å; E601-R653 PolarHBondContact OE1-N 2.83Å; E601-R653 IonicContact OE1-NH1 3.05Å; T602-R653 PolarHBondContact OG1-NH1 2.77Å; R653-C657 PolarHBondContact O-N 3.43Å; R653-C657 PolarHBondContact O-SG 3.48Å
654	H	98.4	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.8	-50.2	176.6	-172.6	-156.8	0	0	0	111.7	P177 T182 Q218 L221 I651 D652 F656 C657 L658	P177-H654 HydrophobicContact CG-CB 4.07Å; P177-H654 PolarHBondContact O-CE1 3.47Å; T182-H654 PolarHBondContact OG1-ND1 3Å; Q218-H654 PolarHBondContact OE1-CE1 3.41Å; Q218-H654 PolarHBondContact OE1-NE2 2.63Å; L221-H654 VanDerWaalsContact CD2-CD2 3.47Å; L221-H654 WeakPolarHBondContact CD2-CD2 3.41Å; I651-H654 WeakPolarHBondContact O-CB 3.35Å; I651-H654 PolarHBondContact O-N 2.87Å; D652-H654 VanDerWaalsContact C-N 3.25Å; D652-H654 PolarHBondContact O-N 3.12Å; H654-F656 VanDerWaalsContact C-N 3.33Å; H654-F656 PolarHBondContact O-N 3.5Å; H654-C657 PolarHBondContact O-N 3.45Å; H654-L658 WeakPolarHBondContact O-CG 3.42Å; H654-L658 PolarHBondContact O-N 2.94Å
655	L	98.4	Very high	96.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-40.9	177.5	-69.4	164.1	0	0	0	111.8	T182 Y186 I651 D652 L658 Y659 F671 L672 V675	T182-L655 HydrophobicContact CG2-CD1 4.08Å; T182-L655 HydrophobicContact CG2-CD2 3.73Å; T182-L655 HydrophobicContact CG2-CG 3.68Å; Y186-L655 HydrophobicContact CD2-CD1 4.23Å; I651-L655 HydrophobicContact CB-CD1 4.35Å; I651-L655 VanDerWaalsContact O-CG 3.32Å; I651-L655 WeakPolarHBondContact O-CG 3.33Å; I651-L655 PolarHBondContact O-N 2.99Å; D652-L655 PolarHBondContact O-N 3.43Å; L655-L658 PolarHBondContact O-N 3.45Å; L655-Y659 PolarHBondContact O-N 2.91Å; L655-F671 HydrophobicContact CD2-CE1 3.75Å; L655-F671 HydrophobicContact CD2-CZ 4.22Å; L655-L672 HydrophobicContact CD2-CD2 3.99Å; L655-V675 HydrophobicContact CD1-CG1 4.06Å
656	F	97.9	Very high	96.7	Very high	17 Å²	17	27.7 Å²	27.7	8%	0.075	15%	0.15	C	C	.	.	H	α-helix	trans	-58.1	-49.3	173	165.7	-103.9	0	0	0	112.6	W235 W236 I240 D652 H654 L658 Y659 I660	W235-F656 HydrophobicContact CB-CE1 4.14Å; W236-F656 HydrophobicContact CB-CE1 4.49Å; W236-F656 HydrophobicContact CE3-CD1 4.08Å; W236-F656 AromaticContact CE3-CE1 3.87Å; W236-F656 HydrophobicContact CE3-CE1 3.87Å; W236-F656 HydrophobicContact CE3-CG 4.49Å; W236-F656 HydrophobicContact CE3-CZ 4.09Å; I240-F656 HydrophobicContact CD1-CD2 4.25Å; I240-F656 HydrophobicContact CD1-CE2 3.66Å; I240-F656 HydrophobicContact CD1-CZ 4.16Å; I240-F656 HydrophobicContact CG1-CE2 4.14Å; I240-F656 HydrophobicContact CG1-CZ 4.12Å; D652-F656 VanDerWaalsContact O-CB 3.29Å; D652-F656 WeakPolarHBondContact O-CB 3.43Å; D652-F656 PolarHBondContact O-N 2.9Å; H654-F656 VanDerWaalsContact C-N 3.33Å; H654-F656 PolarHBondContact O-N 3.5Å; F656-L658 PolarHBondContact O-N 2.89Å; F656-Y659 WeakPolarHBondContact O-CB 3.49Å; F656-Y659 PolarHBondContact O-N 3.08Å; F656-I660 HydrophobicContact CD1-CD1 4.17Å; F656-I660 HydrophobicContact CD2-CD1 4.28Å; F656-I660 HydrophobicContact CE1-CD1 3.55Å; F656-I660 HydrophobicContact CE2-CD1 3.68Å; F656-I660 HydrophobicContact CE2-CG1 4.35Å; F656-I660 HydrophobicContact CZ-CD1 3.3Å; F656-I660 HydrophobicContact CZ-CG1 4.41Å; F656-I660 PolarHBondContact O-N 3.02Å
657	C	98.1	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-37.3	178.9	-68	0	0	0	0	112.5	L221 Y231 W235 R653 H654 Y659 I660 V661	L221-C657 HydrophobicContact CD1-CB 3.66Å; L221-C657 HydrophobicContact CD2-CB 3.91Å; L221-C657 HydrophobicContact CG-CB 4.47Å; Y231-C657 HydrophobicContact CD2-CB 4.39Å; Y231-C657 HydrophobicContact CE2-CB 4.33Å; W235-C657 HydrophobicContact CE3-CB 4.13Å; W235-C657 HydrophobicContact CZ3-CB 4.09Å; R653-C657 PolarHBondContact O-N 3.43Å; R653-C657 PolarHBondContact O-SG 3.48Å; H654-C657 PolarHBondContact O-N 3.45Å; C657-Y659 VanDerWaalsContact C-N 3.29Å; C657-Y659 PolarHBondContact O-N 3.23Å; C657-I660 PolarHBondContact O-N 3.39Å; C657-V661 WeakPolarHBondContact O-CG2 3.5Å; C657-V661 PolarHBondContact O-N 3.18Å
658	L	98.4	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-39.5	173.8	-70	169.3	0	0	0	111.3	F209 L217 L221 H654 L655 F656 V661 S662 L672	F209-L658 HydrophobicContact CE1-CD1 4.41Å; F209-L658 HydrophobicContact CZ-CD1 4.15Å; L217-L658 HydrophobicContact CB-CD2 3.66Å; L221-L658 HydrophobicContact CD2-CD2 4.1Å; L221-L658 HydrophobicContact CD2-CG 4.25Å; H654-L658 WeakPolarHBondContact O-CG 3.42Å; H654-L658 PolarHBondContact O-N 2.94Å; L655-L658 PolarHBondContact O-N 3.45Å; F656-L658 PolarHBondContact O-N 2.89Å; L658-V661 PolarHBondContact O-N 3.3Å; L658-S662 PolarHBondContact O-N 3.39Å; L658-L672 HydrophobicContact CB-CD1 4.24Å; L658-L672 HydrophobicContact CB-CD2 4.33Å
659	Y	97.7	Very high	96.6	Very high	68 Å²	68	35.8 Å²	35.8	27%	0.267	19%	0.188	S	C	.	.	H	α-helix	trans	-63.5	-44.6	174.8	178.2	-104.9	0	0	0	112.8	L655 F656 C657 V661 S662 K663 L672 L676	L655-Y659 PolarHBondContact O-N 2.91Å; F656-Y659 WeakPolarHBondContact O-CB 3.49Å; F656-Y659 PolarHBondContact O-N 3.08Å; C657-Y659 VanDerWaalsContact C-N 3.29Å; C657-Y659 PolarHBondContact O-N 3.23Å; Y659-V661 VanDerWaalsContact C-N 3.31Å; Y659-V661 PolarHBondContact O-N 3.45Å; Y659-S662 WeakPolarHBondContact O-CB 3.3Å; Y659-S662 PolarHBondContact O-N 3.08Å; Y659-S662 VanDerWaalsContact O-N 3.1Å; Y659-S662 PolarHBondContact O-OG 3.12Å; Y659-K663 HydrophobicContact CE1-CG 4.18Å; Y659-K663 HydrophobicContact CE2-CD 4.45Å; Y659-K663 HydrophobicContact CE2-CG 4.48Å; Y659-K663 PolarHBondContact O-N 2.79Å; Y659-K663 WeakPolarHBondContact OH-CE 3.15Å; Y659-L672 HydrophobicContact CD2-CB 3.85Å; Y659-L676 HydrophobicContact CD1-CD1 3.46Å; Y659-L676 VanDerWaalsContact CD1-CD1 3.46Å; Y659-L676 HydrophobicContact CD2-CD1 3.69Å; Y659-L676 HydrophobicContact CE1-CD1 4.16Å; Y659-L676 HydrophobicContact CE2-CD1 4.33Å; Y659-L676 HydrophobicContact CG-CD1 3.18Å
660	I	96.3	Very high	96.6	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-46.4	175.2	-71.1	172.9	0	0	0	110.8	W235 Y239 F656 C657 S662 K663 Y664	W235-I660 HydrophobicContact CB-CD1 3.72Å; W235-I660 HydrophobicContact CD2-CB 4.49Å; W235-I660 HydrophobicContact CD2-CD1 4.11Å; W235-I660 HydrophobicContact CD2-CG2 3.82Å; W235-I660 HydrophobicContact CE3-CB 4.2Å; W235-I660 HydrophobicContact CE3-CD1 4.13Å; W235-I660 HydrophobicContact CE3-CG2 3.93Å; W235-I660 HydrophobicContact CG-CD1 3.98Å; W235-I660 HydrophobicContact CG-CG2 4.41Å; W235-I660 HydrophobicContact CH2-CG2 4.07Å; W235-I660 HydrophobicContact CZ2-CG2 3.97Å; W235-I660 HydrophobicContact CZ3-CB 4.33Å; W235-I660 HydrophobicContact CZ3-CG2 4.05Å; Y239-I660 HydrophobicContact CD2-CD1 3.45Å; Y239-I660 VanDerWaalsContact CD2-CD1 3.45Å; Y239-I660 HydrophobicContact CD2-CG1 4.24Å; Y239-I660 HydrophobicContact CE2-CD1 3.87Å; Y239-I660 HydrophobicContact CE2-CG1 4.37Å; Y239-I660 HydrophobicContact CE2-CG2 4.14Å; Y239-I660 HydrophobicContact CG-CD1 3.97Å; F656-I660 HydrophobicContact CD1-CD1 4.17Å; F656-I660 HydrophobicContact CD2-CD1 4.28Å; F656-I660 HydrophobicContact CE1-CD1 3.55Å; F656-I660 HydrophobicContact CE2-CD1 3.68Å; F656-I660 HydrophobicContact CE2-CG1 4.35Å; F656-I660 HydrophobicContact CZ-CD1 3.3Å; F656-I660 HydrophobicContact CZ-CG1 4.41Å; F656-I660 PolarHBondContact O-N 3.02Å; C657-I660 PolarHBondContact O-N 3.39Å; I660-S662 VanDerWaalsContact C-N 3.3Å; I660-S662 PolarHBondContact O-N 2.87Å; I660-K663 PolarHBondContact O-N 3.17Å; I660-K663 VanDerWaalsContact O-N 3.16Å; I660-Y664 HydrophobicContact CG2-CD2 3.64Å; I660-Y664 HydrophobicContact CG2-CE2 3.37Å; I660-Y664 VanDerWaalsContact O-CD2 3.27Å; I660-Y664 WeakPolarHBondContact O-CD2 3.47Å; I660-Y664 PolarHBondContact O-N 3.09Å
661	V	97.3	Very high	96.7	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.048	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-41.5	176.1	176.5	0	0	0	0	110.9	L217 Y220 W235 C657 L658 Y659 K663 Y664 L665	L217-V661 HydrophobicContact CB-CG1 4.29Å; L217-V661 HydrophobicContact CD2-CB 4.38Å; L217-V661 HydrophobicContact CD2-CG1 3.82Å; Y220-V661 HydrophobicContact CG-CG1 4.37Å; W235-V661 HydrophobicContact CH2-CG2 3.68Å; W235-V661 HydrophobicContact CZ3-CG2 3.95Å; C657-V661 WeakPolarHBondContact O-CG2 3.5Å; C657-V661 PolarHBondContact O-N 3.18Å; L658-V661 PolarHBondContact O-N 3.3Å; Y659-V661 VanDerWaalsContact C-N 3.31Å; Y659-V661 PolarHBondContact O-N 3.45Å; V661-K663 VanDerWaalsContact C-N 3.28Å; V661-K663 PolarHBondContact O-N 3.03Å; V661-Y664 PolarHBondContact O-N 3.21Å; V661-L665 HydrophobicContact CG1-CD1 3.81Å; V661-L665 HydrophobicContact CG1-CG 4.28Å; V661-L665 WeakPolarHBondContact O-CG 3.47Å; V661-L665 PolarHBondContact O-N 3.39Å
662	S	97.2	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-40.2	177.1	79	0	0	0	0	111.9	L658 Y659 I660 L665 G666 V667	L658-S662 PolarHBondContact O-N 3.39Å; Y659-S662 WeakPolarHBondContact O-CB 3.3Å; Y659-S662 PolarHBondContact O-N 3.08Å; Y659-S662 VanDerWaalsContact O-N 3.1Å; Y659-S662 PolarHBondContact O-OG 3.12Å; I660-S662 VanDerWaalsContact C-N 3.3Å; I660-S662 PolarHBondContact O-N 2.87Å; S662-L665 PolarHBondContact O-N 2.87Å; S662-G666 PolarHBondContact O-N 2.89Å; S662-V667 WeakPolarHBondContact CB-O 3.46Å; S662-V667 PolarHBondContact O-N 2.83Å
663	K	95.1	Very high	96.5	Very high	106 Å²	106	39.2 Å²	39.2	46%	0.461	21%	0.208	S	C	.	.	H	α-helix	trans	-68.2	-40.1	176.8	-64.1	-52.7	-179	-172.8	0	112.8	Y659 I660 V661 L665 G666	Y659-K663 HydrophobicContact CE1-CG 4.18Å; Y659-K663 HydrophobicContact CE2-CD 4.45Å; Y659-K663 HydrophobicContact CE2-CG 4.48Å; Y659-K663 PolarHBondContact O-N 2.79Å; Y659-K663 WeakPolarHBondContact OH-CE 3.15Å; I660-K663 PolarHBondContact O-N 3.17Å; I660-K663 VanDerWaalsContact O-N 3.16Å; V661-K663 VanDerWaalsContact C-N 3.28Å; V661-K663 PolarHBondContact O-N 3.03Å; K663-L665 VanDerWaalsContact C-N 3.28Å; K663-L665 PolarHBondContact O-N 3.38Å; K663-G666 PolarHBondContact O-N 3.25Å
664	Y	93.8	Very high	96.3	Very high	138 Å²	138	44 Å²	44	54%	0.541	23%	0.229	S	C	.	.	H	α-helix	trans	-64.4	-33.1	174.5	-79.7	-63.1	0	0	0	113.3	W235 Y239 I660 V661	W235-Y664 HydrophobicContact CZ2-CD2 4.5Å; W235-Y664 HydrophobicContact CZ2-CE2 4.07Å; Y239-Y664 PolarHBondContact OH-OH 2.77Å; I660-Y664 HydrophobicContact CG2-CD2 3.64Å; I660-Y664 HydrophobicContact CG2-CE2 3.37Å; I660-Y664 VanDerWaalsContact O-CD2 3.27Å; I660-Y664 WeakPolarHBondContact O-CD2 3.47Å; I660-Y664 PolarHBondContact O-N 3.09Å; V661-Y664 PolarHBondContact O-N 3.21Å
665	L	94.9	Very high	96.1	Very high	60 Å²	60	44.4 Å²	44.4	31%	0.314	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.9	-179.7	-62.7	179.3	0	0	0	113.6	Q216 L217 Y220 V661 S662 K663 V667	Q216-L665 HydrophobicContact CG-CD1 4.22Å; L217-L665 HydrophobicContact CD2-CD1 3.96Å; Y220-L665 HydrophobicContact CD2-CD1 3.65Å; Y220-L665 HydrophobicContact CE1-CD2 4.42Å; Y220-L665 HydrophobicContact CE2-CD1 3.68Å; Y220-L665 HydrophobicContact CE2-CD2 4.05Å; Y220-L665 HydrophobicContact CG-CD1 4.4Å; V661-L665 HydrophobicContact CG1-CD1 3.81Å; V661-L665 HydrophobicContact CG1-CG 4.28Å; V661-L665 WeakPolarHBondContact O-CG 3.47Å; V661-L665 PolarHBondContact O-N 3.39Å; S662-L665 PolarHBondContact O-N 2.87Å; K663-L665 VanDerWaalsContact C-N 3.28Å; K663-L665 PolarHBondContact O-N 3.38Å; L665-V667 HydrophobicContact CB-CG2 3.89Å; L665-V667 PolarHBondContact O-N 3.4Å
666	G	95.3	Very high	95.8	Very high	66 Å²	66	47.8 Å²	47.8	68%	0.68	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	25	-174.2	0	0	0	0	0	113.6	S662 K663	S662-G666 PolarHBondContact O-N 2.89Å; K663-G666 PolarHBondContact O-N 3.25Å
667	V	95	Very high	95.4	Very high	29 Å²	29	50.5 Å²	50.5	18%	0.176	27%	0.27	C	S	.	.			trans	-88	118.7	177.7	177.3	0	0	0	0	108.8	E213 S662 L665	E213-V667 HydrophobicContact CG-CG1 4.21Å; S662-V667 WeakPolarHBondContact CB-O 3.46Å; S662-V667 PolarHBondContact O-N 2.83Å; L665-V667 HydrophobicContact CB-CG2 3.89Å; L665-V667 PolarHBondContact O-N 3.4Å
668	E	93.8	Very high	95	Very high	167 Å²	167	52.1 Å²	52.1	78%	0.78	28%	0.277	S	S	*	.			trans	-81.9	126.2	171.8	-65.5	-166.5	163.9	0	0	110.4
669	S	95.8	Very high	94.7	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.021	30%	0.299	C	S	.	.			trans	-127.2	102.1	-179.2	-175.5	0	0	0	0	110	F209 E213 F671 L672 T673	F209-S669 WeakPolarHBondContact CD2-OG 3.26Å; E213-S669 WeakPolarHBondContact OE2-CA 3.35Å; E213-S669 WeakPolarHBondContact OE2-CB 3.45Å; E213-S669 PolarHBondContact OE2-OG 2.9Å; S669-F671 PolarHBondContact O-N 2.84Å; S669-L672 PolarHBondContact O-N 3.35Å; S669-L672 WeakPolarHBondContact OG-CG 3.33Å; S669-L672 PolarHBondContact OG-N 2.89Å; S669-T673 WeakPolarHBondContact O-CB 3.38Å; S669-T673 PolarHBondContact O-N 2.91Å; S669-T673 PolarHBondContact O-OG1 2.71Å
670	P	96.1	Very high	94.7	Very high	79 Å²	79	55.1 Å²	55.1	51%	0.513	30%	0.297	S	S	.	.	H	α-helix	trans	-58.2	-35.2	177	-25.6	34.9	0	0	0	112.3	L205 K674	L205-P670 HydrophobicContact CD2-CB 4.13Å; P670-K674 VanDerWaalsContact O-CB 3.27Å; P670-K674 WeakPolarHBondContact O-CB 3.44Å; P670-K674 PolarHBondContact O-N 3.25Å
671	F	97.4	Very high	94.7	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-57.8	175.7	173.5	-106.9	0	0	0	111.7	I183 Y186 M202 L205 A206 F209 L655 S669 T673 K674 V675	I183-F671 HydrophobicContact CD1-CD1 4.36Å; I183-F671 HydrophobicContact CD1-CE1 3.41Å; I183-F671 VanDerWaalsContact CD1-CE1 3.41Å; I183-F671 HydrophobicContact CD1-CE2 4.3Å; I183-F671 HydrophobicContact CD1-CZ 3.37Å; Y186-F671 AromaticContact CD1-CE2 3.69Å; Y186-F671 HydrophobicContact CD1-CE2 3.69Å; Y186-F671 AromaticContact CD1-CZ 3.8Å; Y186-F671 HydrophobicContact CD1-CZ 3.8Å; Y186-F671 AromaticContact CE1-CE2 3.55Å; Y186-F671 HydrophobicContact CE1-CE2 3.55Å; Y186-F671 HydrophobicContact CE1-CZ 4.05Å; Y186-F671 HydrophobicContact CG-CZ 4.28Å; M202-F671 HydrophobicContact SD-CD2 4.05Å; M202-F671 HydrophobicContact SD-CE2 4.11Å; L205-F671 HydrophobicContact CB-CB 4.33Å; L205-F671 HydrophobicContact CB-CD2 4.39Å; A206-F671 HydrophobicContact CB-CD2 3.86Å; A206-F671 HydrophobicContact CB-CE2 3.56Å; A206-F671 HydrophobicContact CB-CZ 4.24Å; F209-F671 HydrophobicContact CB-CB 3.78Å; F209-F671 HydrophobicContact CB-CD1 3.76Å; F209-F671 HydrophobicContact CB-CG 3.89Å; F209-F671 AromaticContact CD1-CD1 3.6Å; F209-F671 HydrophobicContact CD1-CD1 3.6Å; F209-F671 AromaticContact CD1-CE1 3.81Å; F209-F671 HydrophobicContact CD1-CE1 3.81Å; F209-F671 HydrophobicContact CD2-CB 4.46Å; F209-F671 AromaticContact CD2-CD1 3.92Å; F209-F671 HydrophobicContact CD2-CD1 3.92Å; F209-F671 HydrophobicContact CE1-CD1 4.16Å; F209-F671 HydrophobicContact CE1-CE1 4.17Å; F209-F671 HydrophobicContact CE2-CD1 4.48Å; F209-F671 HydrophobicContact CG-CB 4.23Å; F209-F671 AromaticContact CG-CD1 3.45Å; F209-F671 HydrophobicContact CG-CD1 3.45Å; F209-F671 VanDerWaalsContact CG-CD1 3.45Å; F209-F671 HydrophobicContact CG-CE1 4.16Å; F209-F671 HydrophobicContact CG-CG 4.1Å; L655-F671 HydrophobicContact CD2-CE1 3.75Å; L655-F671 HydrophobicContact CD2-CZ 4.22Å; S669-F671 PolarHBondContact O-N 2.84Å; F671-T673 VanDerWaalsContact C-N 3.31Å; F671-T673 PolarHBondContact O-N 3.29Å; F671-K674 PolarHBondContact O-N 3.21Å; F671-V675 HydrophobicContact CD1-CG2 4.42Å; F671-V675 HydrophobicContact CD2-CG2 3.95Å; F671-V675 HydrophobicContact CE1-CG2 4.07Å; F671-V675 HydrophobicContact CE2-CG2 3.55Å; F671-V675 HydrophobicContact CG-CG2 4.38Å; F671-V675 HydrophobicContact CZ-CG2 3.6Å; F671-V675 VanDerWaalsContact O-CG2 3.28Å; F671-V675 WeakPolarHBondContact O-CG2 3.32Å; F671-V675 PolarHBondContact O-N 2.9Å
672	L	96.8	Very high	94.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-38.3	-176.4	-64.9	174.2	0	0	0	112	F209 L217 L655 L658 Y659 S669 K674 L676	F209-L672 HydrophobicContact CD2-CD1 4.39Å; F209-L672 HydrophobicContact CD2-CG 4.17Å; F209-L672 HydrophobicContact CE2-CD1 3.51Å; F209-L672 HydrophobicContact CE2-CD2 4.07Å; F209-L672 HydrophobicContact CE2-CG 3.65Å; F209-L672 HydrophobicContact CZ-CD1 3.97Å; F209-L672 HydrophobicContact CZ-CD2 3.95Å; F209-L672 HydrophobicContact CZ-CG 4.06Å; L217-L672 HydrophobicContact CD1-CD1 3.86Å; L655-L672 HydrophobicContact CD2-CD2 3.99Å; L658-L672 HydrophobicContact CB-CD1 4.24Å; L658-L672 HydrophobicContact CB-CD2 4.33Å; Y659-L672 HydrophobicContact CD2-CB 3.85Å; S669-L672 PolarHBondContact O-N 3.35Å; S669-L672 WeakPolarHBondContact OG-CG 3.33Å; S669-L672 PolarHBondContact OG-N 2.89Å; L672-K674 VanDerWaalsContact C-N 3.33Å; L672-K674 PolarHBondContact O-N 3.44Å; L672-L676 WeakPolarHBondContact O-CB 3.5Å; L672-L676 WeakPolarHBondContact O-CG 3.06Å; L672-L676 PolarHBondContact O-N 3.3Å; L672-L676 VanDerWaalsContact O-N 3.14Å
673	T	95	Very high	94.8	Very high	68 Å²	68	58.2 Å²	58.2	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-43	173.4	-71.3	0	0	0	0	111.4	S669 F671 S677	S669-T673 WeakPolarHBondContact O-CB 3.38Å; S669-T673 PolarHBondContact O-N 2.91Å; S669-T673 PolarHBondContact O-OG1 2.71Å; F671-T673 VanDerWaalsContact C-N 3.31Å; F671-T673 PolarHBondContact O-N 3.29Å; T673-S677 WeakPolarHBondContact O-CB 3.42Å; T673-S677 PolarHBondContact O-N 3.48Å; T673-S677 PolarHBondContact O-OG 2.95Å
674	K	94.3	Very high	95	Very high	105 Å²	105	53.1 Å²	53.1	46%	0.457	29%	0.289	S	S	.	.	H	α-helix	trans	-65.8	-50.4	179.7	-174.1	64.1	-179.7	175.3	0	111.5	M202 P670 F671 L672 L676 S677	M202-K674 HydrophobicContact CE-CB 4.44Å; M202-K674 HydrophobicContact CE-CG 3.57Å; P670-K674 VanDerWaalsContact O-CB 3.27Å; P670-K674 WeakPolarHBondContact O-CB 3.44Å; P670-K674 PolarHBondContact O-N 3.25Å; F671-K674 PolarHBondContact O-N 3.21Å; L672-K674 VanDerWaalsContact C-N 3.33Å; L672-K674 PolarHBondContact O-N 3.44Å; K674-L676 VanDerWaalsContact C-N 3.32Å; K674-L676 PolarHBondContact O-N 3.48Å; K674-S677 PolarHBondContact O-N 2.64Å; K674-S677 VanDerWaalsContact O-N 3.15Å; K674-S677 PolarHBondContact O-OG 3.02Å
675	V	93.8	Very high	95.1	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-56.9	-44.4	-178.2	174.8	0	0	0	0	112	Y186 L655 F671 S677	Y186-V675 HydrophobicContact CD2-CG1 4.22Å; Y186-V675 HydrophobicContact CD2-CG2 4.37Å; Y186-V675 HydrophobicContact CE1-CG2 4.03Å; Y186-V675 HydrophobicContact CE2-CB 4.28Å; Y186-V675 HydrophobicContact CE2-CG1 3.75Å; Y186-V675 HydrophobicContact CE2-CG2 3.71Å; L655-V675 HydrophobicContact CD1-CG1 4.06Å; F671-V675 HydrophobicContact CD1-CG2 4.42Å; F671-V675 HydrophobicContact CD2-CG2 3.95Å; F671-V675 HydrophobicContact CE1-CG2 4.07Å; F671-V675 HydrophobicContact CE2-CG2 3.55Å; F671-V675 HydrophobicContact CG-CG2 4.38Å; F671-V675 HydrophobicContact CZ-CG2 3.6Å; F671-V675 VanDerWaalsContact O-CG2 3.28Å; F671-V675 WeakPolarHBondContact O-CG2 3.32Å; F671-V675 PolarHBondContact O-N 2.9Å; V675-S677 VanDerWaalsContact C-N 3.27Å; V675-S677 PolarHBondContact O-N 3.48Å
676	L	91.9	Very high	95.1	Very high	73 Å²	73	47 Å²	47	38%	0.382	27%	0.266	S	S	.	.	H	α-helix	trans	-81.4	-7.4	-175.8	-65.9	172.4	0	0	0	113.6	Y659 L672 K674	Y659-L676 HydrophobicContact CD1-CD1 3.46Å; Y659-L676 VanDerWaalsContact CD1-CD1 3.46Å; Y659-L676 HydrophobicContact CD2-CD1 3.69Å; Y659-L676 HydrophobicContact CE1-CD1 4.16Å; Y659-L676 HydrophobicContact CE2-CD1 4.33Å; Y659-L676 HydrophobicContact CG-CD1 3.18Å; L672-L676 WeakPolarHBondContact O-CB 3.5Å; L672-L676 WeakPolarHBondContact O-CG 3.06Å; L672-L676 PolarHBondContact O-N 3.3Å; L672-L676 VanDerWaalsContact O-N 3.14Å; K674-L676 VanDerWaalsContact C-N 3.32Å; K674-L676 PolarHBondContact O-N 3.48Å
677	S	90.3	Very high	94.8	Very high	73 Å²	73	44.5 Å²	44.5	51%	0.51	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.9	175.3	72	0	0	0	0	113.8	T673 K674 V675	T673-S677 WeakPolarHBondContact O-CB 3.42Å; T673-S677 PolarHBondContact O-N 3.48Å; T673-S677 PolarHBondContact O-OG 2.95Å; K674-S677 PolarHBondContact O-N 2.64Å; K674-S677 VanDerWaalsContact O-N 3.15Å; K674-S677 PolarHBondContact O-OG 3.02Å; V675-S677 VanDerWaalsContact C-N 3.27Å; V675-S677 PolarHBondContact O-N 3.48Å
678	E	89.1	Confident	94.3	Very high	35 Å²	35	45.2 Å²	45.2	16%	0.164	24%	0.242	C	C	.	.	S	Bend	trans	-72.5	124.8	-176.3	-66.3	-179.6	159	0	0	111	L585	L585-E678 HydrophobicContact CD2-CB 3.98Å
679	P	92.9	Very high	93.7	Very high	71 Å²	71	39.6 Å²	39.6	46%	0.461	22%	0.216	S	C	.	.			trans	-75.8	134.7	-178.2	29.6	-34	0	0	0	111.6	K681 A714	P679-K681 VanDerWaalsContact C-N 3.34Å; P679-K681 HydrophobicContact CG-CG 4.42Å; P679-K681 PolarHBondContact O-N 3.14Å; P679-A714 HydrophobicContact CB-CB 4.24Å
680	W	96	Very high	93.2	Very high	59 Å²	59	41.9 Å²	41.9	22%	0.223	23%	0.227	C	C	.	.			trans	-78.6	80.3	172	-61	100.2	0	0	0	110.3	L585 Y587 T602 R604 D652 L682 V713	L585-W680 HydrophobicContact CB-CE3 4.35Å; L585-W680 HydrophobicContact CD1-CE3 4.23Å; L585-W680 HydrophobicContact CD1-CH2 4.1Å; L585-W680 HydrophobicContact CD1-CZ3 3.68Å; L585-W680 HydrophobicContact CD2-CD2 3.66Å; L585-W680 HydrophobicContact CD2-CE3 3.48Å; L585-W680 VanDerWaalsContact CD2-CE3 3.48Å; L585-W680 HydrophobicContact CD2-CG 4.44Å; L585-W680 HydrophobicContact CD2-CH2 3.75Å; L585-W680 HydrophobicContact CD2-CZ2 3.91Å; L585-W680 HydrophobicContact CD2-CZ3 3.55Å; L585-W680 HydrophobicContact CG-CD2 4.06Å; L585-W680 HydrophobicContact CG-CE3 3.35Å; L585-W680 HydrophobicContact CG-CH2 3.97Å; L585-W680 HydrophobicContact CG-CZ3 3.32Å; Y587-W680 VanDerWaalsContact CB-CE3 3.47Å; Y587-W680 HydrophobicContact CD2-CD2 4.24Å; Y587-W680 HydrophobicContact CD2-CE3 4.36Å; Y587-W680 HydrophobicContact CG-CE3 4.43Å; T602-W680 HydrophobicContact CG2-CH2 3.75Å; T602-W680 HydrophobicContact CG2-CZ2 4.38Å; T602-W680 HydrophobicContact CG2-CZ3 4.02Å; R604-W680 HydrophobicContact CG-CH2 4.02Å; R604-W680 HydrophobicContact CG-CZ3 4.16Å; D652-W680 WeakPolarHBondContact OD1-CH2 3.44Å; D652-W680 VanDerWaalsContact OD1-CZ2 3.3Å; D652-W680 WeakPolarHBondContact OD1-CZ2 3.46Å; W680-L682 PolarHBondContact O-N 3.28Å; W680-V713 HydrophobicContact CB-CG2 3.82Å; W680-V713 WeakPolarHBondContact O-CG2 2.93Å
681	K	97.1	Very high	92.9	Very high	71 Å²	71	39.8 Å²	39.8	31%	0.309	21%	0.21	S	C	.	.	S	Bend	trans	-66	-19.1	-176.4	-63.2	-162.4	-176.2	-161	0	114.1	C584 L585 P679 D716 G717 Y718	C584-K681 HydrophobicContact CB-CB 3.89Å; C584-K681 HydrophobicContact CB-CD 4.25Å; C584-K681 HydrophobicContact CB-CG 4.43Å; L585-K681 PolarHBondContact O-N 3.06Å; P679-K681 VanDerWaalsContact C-N 3.34Å; P679-K681 HydrophobicContact CG-CG 4.42Å; P679-K681 PolarHBondContact O-N 3.14Å; K681-D716 WeakPolarHBondContact CE-OD2 3.33Å; K681-D716 IonicContact NZ-OD2 3.78Å; K681-D716 PolarHBondContact NZ-OD2 3.3Å; K681-G717 CarbonylContact O-C 3.55Å; K681-G717 WeakPolarHBondContact O-CA 3.2Å; K681-Y718 PolarHBondContact O-N 2.86Å
682	L	98.4	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	109	168	-179.9	60	0	0	0	108.8	L572 Q576 L585 T586 Y587 W680 T684 V720 F748	L572-L682 HydrophobicContact CB-CD2 4.3Å; Q576-L682 HydrophobicContact CB-CD2 4.21Å; Q576-L682 HydrophobicContact CG-CD2 4.31Å; L585-L682 PolarHBondContact O-N 2.82Å; T586-L682 CarbonylContact C-O 3.53Å; T586-L682 VanDerWaalsContact CA-O 3.29Å; T586-L682 WeakPolarHBondContact CA-O 3.27Å; T586-L682 HydrophobicContact CG2-CB 4.07Å; T586-L682 HydrophobicContact CG2-CD2 3.75Å; T586-L682 HydrophobicContact CG2-CG 3.84Å; Y587-L682 PolarHBondContact N-O 2.93Å; W680-L682 PolarHBondContact O-N 3.28Å; L682-T684 HydrophobicContact CD1-CG2 3.95Å; L682-T684 HydrophobicContact CD2-CG2 4.31Å; L682-T684 HydrophobicContact CG-CG2 3.72Å; L682-V720 HydrophobicContact CD1-CG2 3.82Å; L682-F748 HydrophobicContact CD1-CE1 4.14Å; L682-F748 HydrophobicContact CD1-CZ 4.34Å
683	S	98.4	Very high	92	Very high	10 Å²	10	47.1 Å²	47.1	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.7	177.6	-178.9	0	0	0	0	110.4	V713 Y718 G719 V720	S683-V713 VanDerWaalsContact CB-CG2 3.49Å; S683-Y718 PolarHBondContact N-O 3.35Å; S683-G719 CarbonylContact O-C 3.57Å; S683-G719 WeakPolarHBondContact O-CA 3.34Å; S683-V720 PolarHBondContact O-N 2.96Å
684	T	98.5	Very high	91.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.4	-170.3	75.6	0	0	0	0	112.8	Q569 L572 T586 Y587 E588 S589 L682 V720	Q569-T684 PolarHBondContact NE2-OG1 2.8Å; L572-T684 HydrophobicContact CD1-CG2 3.85Å; T586-T684 HydrophobicContact CG2-CG2 4.26Å; Y587-T684 WeakPolarHBondContact O-CA 3.39Å; Y587-T684 WeakPolarHBondContact O-CB 3.1Å; Y587-T684 PolarHBondContact O-N 3.06Å; Y587-T684 PolarHBondContact O-OG1 3.35Å; E588-T684 WeakPolarHBondContact CA-O 3.49Å; E588-T684 WeakPolarHBondContact CA-OG1 3.21Å; E588-T684 WeakPolarHBondContact CB-OG1 3.32Å; S589-T684 PolarHBondContact N-O 2.82Å; L682-T684 HydrophobicContact CD1-CG2 3.95Å; L682-T684 HydrophobicContact CD2-CG2 4.31Å; L682-T684 HydrophobicContact CG-CG2 3.72Å; T684-V720 WeakPolarHBondContact CA-O 3.37Å; T684-V720 HydrophobicContact CG2-CB 4.29Å
685	S	97.2	Very high	91.5	Very high	19 Å²	19	44 Å²	44	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	139.5	169.7	78.3	0	0	0	0	112.1	F710 V720 S721 Y722	S685-F710 WeakPolarHBondContact OG-CE1 3.31Å; S685-V720 PolarHBondContact N-O 3.34Å; S685-V720 VanDerWaalsContact N-O 3.1Å; S685-S721 WeakPolarHBondContact O-CA 3.4Å; S685-Y722 PolarHBondContact O-N 2.78Å
686	Q	94.8	Very high	91.3	Very high	49 Å²	49	47.7 Å²	47.7	23%	0.229	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	132.6	162.6	-170.9	-177.1	38.4	0	0	110.3	Y722 I724	Q686-Y722 WeakPolarHBondContact CA-O 3.15Å; Q686-Y722 HydrophobicContact CB-CD2 4.27Å; Q686-Y722 HydrophobicContact CB-CE2 3.64Å; Q686-Y722 HydrophobicContact CG-CD2 4.1Å; Q686-Y722 HydrophobicContact CG-CE2 3.71Å; Q686-I724 VanDerWaalsContact NE2-CD1 3.34Å
687	T	88.6	Confident	91.1	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.086	24%	0.241	C	C	.	.			trans	-105	109.5	166.4	-59.2	0	0	0	0	110.1	A476 Q689 Y722 I723	A476-T687 HydrophobicContact CB-CG2 4.34Å; T687-Q689 PolarHBondContact O-N 2.87Å; T687-Y722 PolarHBondContact N-O 3.36Å; T687-Y722 VanDerWaalsContact N-O 3.1Å; T687-I723 VanDerWaalsContact O-CG2 3.3Å; T687-I723 WeakPolarHBondContact O-CG2 3.44Å
688	P	84.3	Confident	91	Very high	44 Å²	44	48.4 Å²	48.4	29%	0.286	25%	0.252	S	S	.	.			trans	-61.7	130.7	178.7	-21.9	33.4	0	0	0	111.6	Q691	P688-Q691 HydrophobicContact CB-CG 4.33Å; P688-Q691 PolarHBondContact O-NE2 3.31Å
689	Q	81.7	Confident	91.1	Very high	49 Å²	49	53.8 Å²	53.8	23%	0.229	28%	0.275	C	S	.	.			trans	-103.2	157.8	172.1	-72.3	-78.2	-27	0	0	110.3	E484 T687 I723	E484-Q689 WeakPolarHBondContact OE1-CA 3.41Å; T687-Q689 PolarHBondContact O-N 2.87Å; Q689-I723 HydrophobicContact CG-CB 4.01Å; Q689-I723 HydrophobicContact CG-CD1 3.92Å; Q689-I723 HydrophobicContact CG-CG2 4.24Å
690	Q	84.8	Confident	91	Very high	51 Å²	51	53.5 Å²	53.5	24%	0.238	27%	0.266	C	S	.	.			trans	61.8	39	-176.1	-52.1	-177	-79.3	0	0	114	E484 I692 N693 I695 I697	E484-Q690 VanDerWaalsContact CD-N 3.3Å; E484-Q690 PolarHBondContact OE1-N 3.18Å; E484-Q690 VanDerWaalsContact OE2-C 3.32Å; E484-Q690 VanDerWaalsContact OE2-CA 3.3Å; E484-Q690 WeakPolarHBondContact OE2-CA 3.43Å; E484-Q690 PolarHBondContact OE2-N 3.46Å; Q690-I692 PolarHBondContact O-N 2.61Å; Q690-N693 PolarHBondContact O-ND2 2.75Å; Q690-N693 PolarHBondContact O-OD1 3.03Å; Q690-I695 PolarHBondContact NE2-O 3Å; Q690-I697 HydrophobicContact CG-CD1 3.65Å; Q690-I697 VanDerWaalsContact NE2-CG1 3.32Å
691	Q	89.1	Confident	90.8	Very high	36 Å²	36	54.8 Å²	54.8	17%	0.168	28%	0.282	C	S	.	.	S	Bend	trans	-60.7	-32.1	175.1	-65.9	-176.8	70.8	0	0	112.7	L294 P477 E484 P688	L294-Q691 HydrophobicContact CD2-CB 4.35Å; P477-Q691 PolarHBondContact O-NE2 2.84Å; P477-Q691 PolarHBondContact O-OE1 3.02Å; E484-Q691 PolarHBondContact OE1-N 2.91Å; E484-Q691 VanDerWaalsContact OE1-N 3.16Å; E484-Q691 PolarHBondContact OE2-N 3.17Å; P688-Q691 HydrophobicContact CB-CG 4.33Å; P688-Q691 PolarHBondContact O-NE2 3.31Å
692	I	88.9	Confident	90.5	Very high	38 Å²	38	58 Å²	58	20%	0.195	30%	0.296	C	S	.	.	S	Bend	trans	-107.5	-9	-178.4	57.6	179.7	0	0	0	114.4	H481 E484 Y485 Q690 L694	H481-I692 WeakPolarHBondContact CD2-CG2 3.45Å; H481-I692 WeakPolarHBondContact NE2-CG2 3.39Å; E484-I692 HydrophobicContact CB-CD1 3.71Å; E484-I692 HydrophobicContact CB-CG1 3.92Å; E484-I692 WeakPolarHBondContact OE2-CG1 3.29Å; E484-I692 PolarHBondContact OE2-N 3.48Å; Y485-I692 VanDerWaalsContact N-CD1 3.31Å; Q690-I692 PolarHBondContact O-N 2.61Å; I692-L694 HydrophobicContact CB-CG 4.18Å; I692-L694 HydrophobicContact CD1-CB 4.22Å; I692-L694 HydrophobicContact CD1-CD1 3.35Å; I692-L694 HydrophobicContact CD1-CG 3.55Å; I692-L694 HydrophobicContact CG1-CB 4.23Å; I692-L694 HydrophobicContact CG1-CD1 4.12Å; I692-L694 HydrophobicContact CG1-CG 3.71Å; I692-L694 PolarHBondContact O-N 3.3Å
693	N	87.4	Confident	90.2	Very high	117 Å²	117	61.1 Å²	61.1	63%	0.626	31%	0.308	S	S	*	.			trans	51.4	36.7	-179.3	-59.5	-69.5	0	0	0	114.4	Q690	Q690-N693 PolarHBondContact O-ND2 2.75Å; Q690-N693 PolarHBondContact O-OD1 3.03Å
694	L	90.3	Very high	89.9	Confident	84 Å²	84	60.9 Å²	60.9	44%	0.44	31%	0.307	S	S	.	.			trans	-78.5	-20	178	-68.9	-172.1	0	0	0	113.9	Y485 A488 I692	Y485-L694 HydrophobicContact CD2-CD1 3.86Å; Y485-L694 HydrophobicContact CG-CD1 4.44Å; A488-L694 HydrophobicContact CB-CB 3.71Å; A488-L694 HydrophobicContact CB-CD1 4.14Å; I692-L694 HydrophobicContact CB-CG 4.18Å; I692-L694 HydrophobicContact CD1-CB 4.22Å; I692-L694 HydrophobicContact CD1-CD1 3.35Å; I692-L694 HydrophobicContact CD1-CG 3.55Å; I692-L694 HydrophobicContact CG1-CB 4.23Å; I692-L694 HydrophobicContact CG1-CD1 4.12Å; I692-L694 HydrophobicContact CG1-CG 3.71Å; I692-L694 PolarHBondContact O-N 3.3Å
695	I	88.7	Confident	89.4	Confident	24 Å²	24	61.3 Å²	61.3	12%	0.123	31%	0.31	C	S	.	.	S	Bend	trans	-114	119	176.6	-54	178.2	0	0	0	108.2	A488 F492 Q690 I697 F700	A488-I695 HydrophobicContact CB-CD1 3.99Å; A488-I695 HydrophobicContact CB-CG1 3.68Å; F492-I695 HydrophobicContact CD2-CG1 4.37Å; F492-I695 HydrophobicContact CE2-CD1 4.11Å; F492-I695 HydrophobicContact CE2-CG1 3.9Å; F492-I695 HydrophobicContact CE2-CG2 4.07Å; F492-I695 HydrophobicContact CZ-CG2 4.34Å; Q690-I695 PolarHBondContact NE2-O 3Å; I695-I697 HydrophobicContact CG2-CG1 4.47Å; I695-I697 PolarHBondContact O-N 2.86Å; I695-F700 HydrophobicContact CG2-CB 4.32Å
696	D	89.4	Confident	88.9	Confident	85 Å²	85	60.5 Å²	60.5	46%	0.455	31%	0.305	S	S	.	.			trans	-77.5	97.2	167.7	-175.8	-11.9	0	0	0	109	N698 K699 F700	D696-N698 PolarHBondContact O-N 2.99Å; D696-N698 WeakPolarHBondContact OD1-CB 3.31Å; D696-N698 PolarHBondContact OD1-N 2.92Å; D696-K699 HydrophobicContact CB-CB 4.15Å; D696-K699 PolarHBondContact O-N 2.85Å; D696-K699 VanDerWaalsContact O-N 3.16Å; D696-K699 PolarHBondContact OD1-N 2.81Å; D696-F700 PolarHBondContact O-N 2.62Å
697	I	87.3	Confident	88.9	Confident	21 Å²	21	58.3 Å²	58.3	11%	0.108	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.8	-178.7	-62.1	178.1	0	0	0	111.7	Q690 I695 F700 P701 V704 V725	Q690-I697 HydrophobicContact CG-CD1 3.65Å; Q690-I697 VanDerWaalsContact NE2-CG1 3.32Å; I695-I697 HydrophobicContact CG2-CG1 4.47Å; I695-I697 PolarHBondContact O-N 2.86Å; I697-F700 CarbonylContact O-C 3.1Å; I697-P701 WeakPolarHBondContact O-CA 3.19Å; I697-P701 VanDerWaalsContact O-N 3.13Å; I697-V704 HydrophobicContact CD1-CG1 4.11Å; I697-V704 HydrophobicContact CG1-CG1 4.31Å; I697-V704 HydrophobicContact CG2-CG1 3.81Å; I697-V725 HydrophobicContact CD1-CG1 4.38Å
698	N	87.6	Confident	89.2	Confident	140 Å²	140	57.9 Å²	57.9	75%	0.749	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-38.6	175.5	-61.8	-41.1	0	0	0	110.7	D696	D696-N698 PolarHBondContact O-N 2.99Å; D696-N698 WeakPolarHBondContact OD1-CB 3.31Å; D696-N698 PolarHBondContact OD1-N 2.92Å
699	K	91.1	Very high	89.8	Confident	148 Å²	148	55.9 Å²	55.9	64%	0.643	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-33.4	175.8	-171.7	173.8	178.1	178.8	0	112.6	D696 P701	D696-K699 HydrophobicContact CB-CB 4.15Å; D696-K699 PolarHBondContact O-N 2.85Å; D696-K699 VanDerWaalsContact O-N 3.16Å; D696-K699 PolarHBondContact OD1-N 2.81Å; K699-P701 VanDerWaalsContact C-CD 3.44Å; K699-P701 WeakPolarHBondContact O-CD 3.2Å
700	F	92.1	Very high	90.6	Very high	65 Å²	65	55.3 Å²	55.3	29%	0.285	28%	0.278	S	S	.	.			trans	-125.8	64.4	-174.9	-60.7	-70.9	0	0	0	111.7	F492 I695 D696 I697 K702 Y703	F492-F700 HydrophobicContact CD1-CE2 4.49Å; F492-F700 HydrophobicContact CD1-CZ 4.4Å; F492-F700 AromaticContact CE1-CD1 3.83Å; F492-F700 HydrophobicContact CE1-CD1 3.83Å; F492-F700 AromaticContact CE1-CD2 3.87Å; F492-F700 HydrophobicContact CE1-CD2 3.87Å; F492-F700 AromaticContact CE1-CE1 3.76Å; F492-F700 HydrophobicContact CE1-CE1 3.76Å; F492-F700 AromaticContact CE1-CE2 3.78Å; F492-F700 HydrophobicContact CE1-CE2 3.78Å; F492-F700 AromaticContact CE1-CG 3.88Å; F492-F700 HydrophobicContact CE1-CG 3.88Å; F492-F700 AromaticContact CE1-CZ 3.72Å; F492-F700 HydrophobicContact CE1-CZ 3.72Å; F492-F700 HydrophobicContact CZ-CB 4.15Å; F492-F700 HydrophobicContact CZ-CD1 4.09Å; F492-F700 AromaticContact CZ-CD2 3.9Å; F492-F700 HydrophobicContact CZ-CD2 3.9Å; F492-F700 HydrophobicContact CZ-CE1 4.47Å; F492-F700 HydrophobicContact CZ-CE2 4.28Å; F492-F700 AromaticContact CZ-CG 3.78Å; F492-F700 HydrophobicContact CZ-CG 3.78Å; I695-F700 HydrophobicContact CG2-CB 4.32Å; D696-F700 PolarHBondContact O-N 2.62Å; I697-F700 CarbonylContact O-C 3.1Å; F700-K702 PolarHBondContact O-N 2.79Å; F700-K702 VanDerWaalsContact O-N 3.1Å; F700-Y703 HydrophobicContact CB-CD2 3.67Å; F700-Y703 HydrophobicContact CB-CE2 4.37Å; F700-Y703 HydrophobicContact CB-CG 4.21Å; F700-Y703 HydrophobicContact CD1-CD2 4.37Å; F700-Y703 HydrophobicContact CD1-CE2 4.24Å; F700-Y703 HydrophobicContact CG-CD2 4.4Å; F700-Y703 PolarHBondContact O-N 2.77Å
701	P	90.6	Very high	91.1	Very high	85 Å²	85	53 Å²	53	55%	0.552	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.2	-169.6	25.7	-36.1	0	0	0	114.7	I697 K699	I697-P701 WeakPolarHBondContact O-CA 3.19Å; I697-P701 VanDerWaalsContact O-N 3.13Å; K699-P701 VanDerWaalsContact C-CD 3.44Å; K699-P701 WeakPolarHBondContact O-CD 3.2Å
702	K	91.3	Very high	91.4	Very high	139 Å²	139	51.5 Å²	51.5	60%	0.604	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-16.4	176.3	-62.9	-170.8	178.8	-175.7	0	113.4	V262 F700 V704	V262-K702 HydrophobicContact CG2-CB 3.77Å; V262-K702 WeakPolarHBondContact CG2-O 3.21Å; F700-K702 PolarHBondContact O-N 2.79Å; F700-K702 VanDerWaalsContact O-N 3.1Å; K702-V704 VanDerWaalsContact C-N 3.26Å; K702-V704 PolarHBondContact O-N 2.96Å; K702-V704 VanDerWaalsContact O-N 3.07Å
703	Y	92.8	Very high	91.7	Very high	66 Å²	66	53.5 Å²	53.5	26%	0.259	28%	0.276	S	S	.	.			trans	-90.1	63	-175.6	-68.7	-103.1	0	0	0	110.7	L259 V262 C491 F492 F700	L259-Y703 HydrophobicContact CD1-CD1 4Å; V262-Y703 HydrophobicContact CB-CE1 4.43Å; V262-Y703 HydrophobicContact CG1-CD1 4.32Å; V262-Y703 HydrophobicContact CG1-CE1 3.81Å; V262-Y703 HydrophobicContact CG2-CD1 4.3Å; V262-Y703 HydrophobicContact CG2-CD2 4.1Å; V262-Y703 HydrophobicContact CG2-CE1 4.26Å; V262-Y703 HydrophobicContact CG2-CE2 4.07Å; V262-Y703 HydrophobicContact CG2-CG 4.23Å; C491-Y703 HydrophobicContact CB-CD1 4.11Å; C491-Y703 HydrophobicContact CB-CE1 3.84Å; F492-Y703 AromaticContact CE2-CD1 3.89Å; F492-Y703 HydrophobicContact CE2-CD1 3.89Å; F492-Y703 HydrophobicContact CE2-CE1 4.32Å; F492-Y703 HydrophobicContact CE2-CG 4.28Å; F492-Y703 AromaticContact CZ-CD1 3.69Å; F492-Y703 HydrophobicContact CZ-CD1 3.69Å; F492-Y703 HydrophobicContact CZ-CD2 4.23Å; F492-Y703 AromaticContact CZ-CE1 3.91Å; F492-Y703 HydrophobicContact CZ-CE1 3.91Å; F492-Y703 HydrophobicContact CZ-CE2 4.41Å; F492-Y703 AromaticContact CZ-CG 3.85Å; F492-Y703 HydrophobicContact CZ-CG 3.85Å; F700-Y703 HydrophobicContact CB-CD2 3.67Å; F700-Y703 HydrophobicContact CB-CE2 4.37Å; F700-Y703 HydrophobicContact CB-CG 4.21Å; F700-Y703 HydrophobicContact CD1-CD2 4.37Å; F700-Y703 HydrophobicContact CD1-CE2 4.24Å; F700-Y703 HydrophobicContact CG-CD2 4.4Å; F700-Y703 PolarHBondContact O-N 2.77Å
704	V	91.3	Very high	92	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.03	25%	0.25	C	S	.	.			trans	-121.2	136	-178.9	-63.1	0	0	0	0	110.3	L259 L260 Y261 I697 K702 V725 L729	L259-V704 CarbonylContact C-O 3.39Å; L259-V704 WeakPolarHBondContact CA-O 3.27Å; L260-V704 HydrophobicContact CB-CG2 4.31Å; L260-V704 PolarHBondContact N-O 2.93Å; Y261-V704 HydrophobicContact CD2-CG2 3.87Å; Y261-V704 HydrophobicContact CE2-CG2 3.81Å; I697-V704 HydrophobicContact CD1-CG1 4.11Å; I697-V704 HydrophobicContact CG1-CG1 4.31Å; I697-V704 HydrophobicContact CG2-CG1 3.81Å; K702-V704 VanDerWaalsContact C-N 3.26Å; K702-V704 PolarHBondContact O-N 2.96Å; K702-V704 VanDerWaalsContact O-N 3.07Å; V704-V725 HydrophobicContact CB-CG1 3.56Å; V704-V725 HydrophobicContact CG1-CG1 3.39Å; V704-V725 HydrophobicContact CG2-CG1 4.27Å; V704-L729 HydrophobicContact CG2-CD2 4.16Å
705	G	89.3	Confident	92.1	Very high	8 Å²	8	47.8 Å²	47.8	8%	0.082	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-71.7	147.2	173.7	0	0	0	0	0	111.1	G707 I723	G705-G707 VanDerWaalsContact C-N 3.27Å; G705-I723 VanDerWaalsContact O-CD1 3.31Å; G705-I723 WeakPolarHBondContact O-CD1 3.28Å
706	A	86.8	Confident	92.4	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	25%	0.253	C	S	.	.			trans	-75.4	-17.6	175.2	0	0	0	0	0	112.8	M257 D258 L260 T731 H733	M257-A706 HydrophobicContact CB-CB 3.83Å; M257-A706 HydrophobicContact CG-CB 4.49Å; M257-A706 HydrophobicContact SD-CB 3.84Å; D258-A706 PolarHBondContact O-N 2.83Å; L260-A706 HydrophobicContact CB-CB 4.31Å; L260-A706 HydrophobicContact CD1-CB 3.66Å; A706-T731 VanDerWaalsContact O-CB 3.27Å; A706-T731 WeakPolarHBondContact O-CB 3.08Å; A706-T731 WeakPolarHBondContact O-CG2 3.08Å; A706-T731 PolarHBondContact O-OG1 3.39Å; A706-H733 PolarHBondContact O-NE2 2.86Å; A706-H733 VanDerWaalsContact O-NE2 3.1Å
707	G	93	Very high	92.7	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.031	23%	0.232	C	C	.	.			trans	100.3	-150.2	-176.7	0	0	0	0	0	111.4	M257 G705 I723	M257-G707 PolarHBondContact N-O 3.46Å; G705-G707 VanDerWaalsContact C-N 3.27Å; G707-I723 VanDerWaalsContact CA-CD1 3.45Å
708	G	95.3	Very high	93.3	Very high	6 Å²	6	44 Å²	44	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	162.9	-174	0	0	0	0	0	111	Y255 S721 H733	Y255-G708 CarbonylContact O-C 3.39Å; Y255-G708 WeakPolarHBondContact O-CA 3.22Å; G708-S721 WeakPolarHBondContact O-CB 3.28Å; G708-S721 PolarHBondContact O-OG 2.93Å; G708-H733 PolarHBondContact N-CD2 2.88Å; G708-H733 PolarHBondContact N-NE2 3.09Å; G708-H733 PolarHBondContact O-CD2 3.17Å
709	G	96.9	Very high	93.8	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	179.1	-174.7	0	0	0	0	0	113.2	F254 Y255	F254-G709 WeakPolarHBondContact CA-O 3.43Å; F254-G709 WeakPolarHBondContact CB-O 3.12Å; Y255-G709 VanDerWaalsContact CD1-O 3.22Å; Y255-G709 WeakPolarHBondContact CD1-O 3.41Å; Y255-G709 VanDerWaalsContact CE1-C 3.47Å; Y255-G709 WeakPolarHBondContact CE1-O 3.43Å; Y255-G709 PolarHBondContact N-O 2.94Å; Y255-G709 PolarHBondContact O-N 3.42Å; Y255-G709 VanDerWaalsContact O-N 3.14Å
710	F	98.1	Very high	94.1	Very high	36 Å²	36	30.3 Å²	30.3	16%	0.158	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	166.2	179.1	52.2	-91	0	0	0	109.6	F254 M442 S685 S735	F254-F710 HydrophobicContact CB-CB 4.05Å; M442-F710 VanDerWaalsContact CE-C 3.43Å; M442-F710 VanDerWaalsContact CE-CA 3.46Å; M442-F710 HydrophobicContact CE-CB 4.42Å; S685-F710 WeakPolarHBondContact OG-CE1 3.31Å; F710-S735 WeakPolarHBondContact O-CB 3.48Å; F710-S735 PolarHBondContact O-OG 2.99Å
711	G	96.9	Very high	94.4	Very high	4 Å²	4	27.3 Å²	27.3	4%	0.041	15%	0.148	C	C	.	.			trans	-77.5	164.4	178.7	0	0	0	0	0	112	S735	G711-S735 VanDerWaalsContact C-OG 3.31Å; G711-S735 WeakPolarHBondContact CA-OG 3.3Å
712	P	95.5	Very high	94.8	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.019	12%	0.122	C	C	.	.			trans	-66.7	141.7	178.2	31.1	-36.8	0	0	0	110.8	S735 K737	P712-S735 WeakPolarHBondContact CD-OG 3.35Å; P712-K737 HydrophobicContact CG-CG 3.91Å
713	V	93.2	Very high	95	Very high	81 Å²	81	16.7 Å²	16.7	49%	0.491	9%	0.093	S	C	.	.	S	Bend	trans	-88.5	-14.7	-179.7	-55.6	0	0	0	0	113.4	W680 S683	W680-V713 HydrophobicContact CB-CG2 3.82Å; W680-V713 WeakPolarHBondContact O-CG2 2.93Å; S683-V713 VanDerWaalsContact CB-CG2 3.49Å
714	A	93.9	Very high	95.1	Very high	10 Å²	10	14.5 Å²	14.5	8%	0.083	9%	0.086	C	C	.	.	S	Bend	trans	-124.7	140.6	172.6	0	0	0	0	0	107.8	P679 D716 G717	P679-A714 HydrophobicContact CB-CB 4.24Å; A714-D716 VanDerWaalsContact C-N 3.28Å; A714-D716 PolarHBondContact O-N 3.15Å; A714-G717 PolarHBondContact O-N 3.38Å
715	D	93.2	Very high	95	Very high	70 Å²	70	14.6 Å²	14.6	37%	0.374	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-43.1	-178	-72.7	-10	0	0	0	112	G717 K737 R740	D715-G717 VanDerWaalsContact C-N 3.28Å; D715-G717 PolarHBondContact O-N 3.38Å; D715-K737 HydrophobicContact CB-CD 4.27Å; D715-K737 WeakPolarHBondContact OD1-CE 3.1Å; D715-K737 IonicContact OD1-NZ 3.32Å; D715-K737 PolarHBondContact OD1-NZ 3.4Å; D715-R740 HydrophobicContact CB-CG 4.37Å; D715-R740 WeakPolarHBondContact O-CG 3.44Å; D715-R740 IonicContact OD2-NH2 2.9Å; D715-R740 PolarHBondContact OD2-NH2 3.44Å
716	D	95.1	Very high	94.8	Very high	46 Å²	46	14.8 Å²	14.8	25%	0.246	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	29.6	-177.7	70.8	-32.4	0	0	0	112.8	K681 A714 R740	K681-D716 WeakPolarHBondContact CE-OD2 3.33Å; K681-D716 IonicContact NZ-OD2 3.78Å; K681-D716 PolarHBondContact NZ-OD2 3.3Å; A714-D716 VanDerWaalsContact C-N 3.28Å; A714-D716 PolarHBondContact O-N 3.15Å; D716-R740 HydrophobicContact CB-CG 4.4Å
717	G	96.5	Very high	94.9	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	-136	-174.1	-175.9	0	0	0	0	0	114.3	K681 A714 D715	K681-G717 CarbonylContact O-C 3.55Å; K681-G717 WeakPolarHBondContact O-CA 3.2Å; A714-G717 PolarHBondContact O-N 3.38Å; D715-G717 VanDerWaalsContact C-N 3.28Å; D715-G717 PolarHBondContact O-N 3.38Å
718	Y	98.5	Very high	94.8	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.02	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142	-177.8	-64.5	-78.9	0	0	0	112.1	D579 K681 S683 I734 S735 T743 D744 R747 F748	D579-Y718 PolarHBondContact OD2-OH 2.95Å; K681-Y718 PolarHBondContact O-N 2.86Å; S683-Y718 PolarHBondContact N-O 3.35Å; Y718-I734 HydrophobicContact CD1-CG2 4.27Å; Y718-S735 CarbonylContact C-O 3.57Å; Y718-S735 VanDerWaalsContact CA-O 3.27Å; Y718-S735 WeakPolarHBondContact CA-O 3.49Å; Y718-T743 HydrophobicContact CD2-CG2 4.45Å; Y718-T743 HydrophobicContact CE1-CG2 4.28Å; Y718-T743 HydrophobicContact CE2-CG2 3.97Å; Y718-T743 VanDerWaalsContact OH-CA 3.31Å; Y718-T743 WeakPolarHBondContact OH-CA 3.39Å; Y718-D744 PolarHBondContact OH-N 3.19Å; Y718-R747 PolarHBondContact OH-NH2 3.5Å; Y718-F748 HydrophobicContact CD1-CB 4.26Å; Y718-F748 AromaticContact CD1-CD1 3.9Å; Y718-F748 HydrophobicContact CD1-CD1 3.9Å; Y718-F748 HydrophobicContact CD1-CG 4.16Å; Y718-F748 HydrophobicContact CD2-CD1 4.23Å; Y718-F748 HydrophobicContact CD2-CE1 4.25Å; Y718-F748 HydrophobicContact CD2-CG 4.37Å; Y718-F748 HydrophobicContact CD2-CZ 4.45Å; Y718-F748 HydrophobicContact CE1-CB 3.71Å; Y718-F748 HydrophobicContact CE1-CD1 4.18Å; Y718-F748 AromaticContact CE1-CG 3.95Å; Y718-F748 HydrophobicContact CE1-CG 3.95Å; Y718-F748 HydrophobicContact CE2-CD1 4.46Å; Y718-F748 HydrophobicContact CE2-CD2 4.1Å; Y718-F748 HydrophobicContact CE2-CE2 4.46Å; Y718-F748 HydrophobicContact CE2-CG 4.14Å; Y718-F748 AromaticContact CG-CD1 3.92Å; Y718-F748 HydrophobicContact CG-CD1 3.92Å; Y718-F748 HydrophobicContact CG-CE1 4.13Å; Y718-F748 HydrophobicContact CG-CG 4.36Å; Y718-F748 AromaticContact CZ-CG 3.91Å
719	G	98.4	Very high	94.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.4	158.9	0	0	0	0	0	110	S683 I734 S735	S683-G719 CarbonylContact O-C 3.57Å; S683-G719 WeakPolarHBondContact O-CA 3.34Å; G719-I734 CarbonylContact O-C 3.59Å; G719-I734 VanDerWaalsContact O-CA 3.29Å; G719-I734 WeakPolarHBondContact O-CA 3.27Å; G719-S735 PolarHBondContact N-O 3.17Å; G719-S735 PolarHBondContact O-N 3.29Å
720	V	98.6	Very high	94.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	107.9	178.3	-173.4	0	0	0	0	111.1	L572 L682 S683 T684 S685 F732 H733 I734 F748	L572-V720 HydrophobicContact CD1-CG1 4.29Å; L572-V720 HydrophobicContact CD2-CG1 4.08Å; L682-V720 HydrophobicContact CD1-CG2 3.82Å; S683-V720 PolarHBondContact O-N 2.96Å; T684-V720 WeakPolarHBondContact CA-O 3.37Å; T684-V720 HydrophobicContact CG2-CB 4.29Å; S685-V720 PolarHBondContact N-O 3.34Å; S685-V720 VanDerWaalsContact N-O 3.1Å; V720-F732 HydrophobicContact CG1-CD1 4.18Å; V720-H733 WeakPolarHBondContact CA-O 3.14Å; V720-I734 HydrophobicContact CG1-CG1 4.29Å; V720-I734 HydrophobicContact CG2-CG1 4.36Å; V720-I734 HydrophobicContact CG2-CG2 4.39Å; V720-F748 HydrophobicContact CG2-CD1 4.3Å; V720-F748 HydrophobicContact CG2-CE1 3.82Å
721	S	98.1	Very high	94.6	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.014	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.8	167.7	178.7	0	0	0	0	110.2	S685 G708 F732 H733	S685-S721 WeakPolarHBondContact O-CA 3.4Å; G708-S721 WeakPolarHBondContact O-CB 3.28Å; G708-S721 PolarHBondContact O-OG 2.93Å; S721-F732 CarbonylContact O-C 3.57Å; S721-F732 WeakPolarHBondContact O-CA 3.1Å; S721-H733 PolarHBondContact N-O 2.95Å; S721-H733 PolarHBondContact O-N 3.34Å
722	Y	97.8	Very high	94.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.4	173.6	58.3	-87.7	0	0	0	113.3	D565 I568 Q569 L572 E588 S685 Q686 T687 T731 F732	D565-Y722 PolarHBondContact OD1-OH 2.72Å; I568-Y722 HydrophobicContact CB-CE2 4.3Å; I568-Y722 HydrophobicContact CD1-CD2 3.77Å; I568-Y722 HydrophobicContact CD1-CE2 3.91Å; I568-Y722 HydrophobicContact CG2-CD1 4.02Å; I568-Y722 HydrophobicContact CG2-CD2 4.02Å; I568-Y722 HydrophobicContact CG2-CE1 3.93Å; I568-Y722 HydrophobicContact CG2-CE2 3.94Å; I568-Y722 HydrophobicContact CG2-CG 4.06Å; Q569-Y722 PolarHBondContact NE2-OH 2.92Å; L572-Y722 HydrophobicContact CD1-CE1 4.25Å; E588-Y722 PolarHBondContact OE1-OH 3.41Å; S685-Y722 PolarHBondContact O-N 2.78Å; Q686-Y722 WeakPolarHBondContact CA-O 3.15Å; Q686-Y722 HydrophobicContact CB-CD2 4.27Å; Q686-Y722 HydrophobicContact CB-CE2 3.64Å; Q686-Y722 HydrophobicContact CG-CD2 4.1Å; Q686-Y722 HydrophobicContact CG-CE2 3.71Å; T687-Y722 PolarHBondContact N-O 3.36Å; T687-Y722 VanDerWaalsContact N-O 3.1Å; Y722-T731 CarbonylContact C-O 3.46Å; Y722-T731 WeakPolarHBondContact CA-O 3.4Å; Y722-T731 WeakPolarHBondContact CB-O 3.48Å; Y722-F732 HydrophobicContact CG-CD1 4.45Å; Y722-F732 HydrophobicContact CG-CE1 4.28Å
723	I	95.7	Very high	94.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.2	171.6	64.5	161.6	0	0	0	110.3	T687 Q689 G705 G707 V725 I730 T731	T687-I723 VanDerWaalsContact O-CG2 3.3Å; T687-I723 WeakPolarHBondContact O-CG2 3.44Å; Q689-I723 HydrophobicContact CG-CB 4.01Å; Q689-I723 HydrophobicContact CG-CD1 3.92Å; Q689-I723 HydrophobicContact CG-CG2 4.24Å; G705-I723 VanDerWaalsContact O-CD1 3.31Å; G705-I723 WeakPolarHBondContact O-CD1 3.28Å; G707-I723 VanDerWaalsContact CA-CD1 3.45Å; I723-V725 HydrophobicContact CD1-CG2 3.48Å; I723-V725 VanDerWaalsContact CD1-CG2 3.48Å; I723-V725 HydrophobicContact CG1-CG2 3.93Å; I723-I730 WeakPolarHBondContact O-CA 3.46Å; I723-I730 WeakPolarHBondContact O-CG2 3.38Å; I723-T731 PolarHBondContact N-O 3.46Å; I723-T731 PolarHBondContact O-N 3Å
724	I	94.3	Very high	95.1	Very high	21 Å²	21	18.4 Å²	18.4	11%	0.108	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.1	178.6	-57	-179.1	0	0	0	107.7	K554 P564 I568 Q686	K554-I724 HydrophobicContact CB-CG2 3.7Å; K554-I724 HydrophobicContact CD-CG2 3.95Å; K554-I724 HydrophobicContact CG-CG2 4.2Å; P564-I724 HydrophobicContact CB-CD1 3.63Å; I568-I724 HydrophobicContact CD1-CD1 3.74Å; I568-I724 HydrophobicContact CD1-CG1 3.92Å; Q686-I724 VanDerWaalsContact NE2-CD1 3.34Å
725	V	89.4	Confident	95.3	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.042	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.9	-170.5	-179	0	0	0	0	110.5	I697 V704 I723 L729	I697-V725 HydrophobicContact CD1-CG1 4.38Å; V704-V725 HydrophobicContact CB-CG1 3.56Å; V704-V725 HydrophobicContact CG1-CG1 3.39Å; V704-V725 HydrophobicContact CG2-CG1 4.27Å; I723-V725 HydrophobicContact CD1-CG2 3.48Å; I723-V725 VanDerWaalsContact CD1-CG2 3.48Å; I723-V725 HydrophobicContact CG1-CG2 3.93Å; V725-L729 HydrophobicContact CB-CB 4.11Å; V725-L729 HydrophobicContact CB-CD2 4.06Å; V725-L729 HydrophobicContact CB-CG 4.13Å; V725-L729 HydrophobicContact CG1-CD2 4.11Å; V725-L729 PolarHBondContact N-O 3.24Å; V725-L729 PolarHBondContact O-N 2.74Å; V725-L729 VanDerWaalsContact O-O 3.04Å
726	G	86.1	Confident	95.5	Very high	11 Å²	11	14.6 Å²	14.6	11%	0.113	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-144.5	-178.7	0	0	0	0	0	111.4	K554	K554-G726 WeakPolarHBondContact CD-O 3.41Å; K554-G726 WeakPolarHBondContact CE-O 3.46Å; K554-G726 VanDerWaalsContact CG-O 3.32Å; K554-G726 WeakPolarHBondContact CG-O 3.47Å; K554-G726 PolarHBondContact NZ-O 2.92Å
727	E	88.7	Confident	95.7	Very high	85 Å²	85	13.3 Å²	13.3	40%	0.397	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-20.9	-179.6	-64.4	-58.7	130.7	0	0	114	G553 K554 G555	G553-E727 CarbonylContact C-O 3.59Å; G553-E727 WeakPolarHBondContact CA-O 3.41Å; G553-E727 PolarHBondContact N-O 3.37Å; K554-E727 WeakPolarHBondContact CE-OE1 3.39Å; K554-E727 PolarHBondContact N-O 3Å; K554-E727 IonicContact NZ-OE1 3.21Å; G555-E727 WeakPolarHBondContact CA-OE2 3.36Å; G555-E727 PolarHBondContact N-O 2.86Å; G555-E727 PolarHBondContact N-OE2 3.37Å
728	N	91.4	Very high	95.7	Very high	105 Å²	105	18.5 Å²	18.5	56%	0.561	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.5	-2.1	-163.5	-62.5	-32.8	0	0	0	115.7	F552	F552-N728 CarbonylContact C-O 3.58Å
729	L	93.4	Very high	95.6	Very high	19 Å²	19	21.1 Å²	21.1	10%	0.099	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.4	-176.7	175.4	64	0	0	0	110.8	L260 T550 V704 V725	L260-L729 HydrophobicContact CD2-CD2 4.26Å; T550-L729 HydrophobicContact CG2-CD1 3.86Å; V704-L729 HydrophobicContact CG2-CD2 4.16Å; V725-L729 HydrophobicContact CB-CB 4.11Å; V725-L729 HydrophobicContact CB-CD2 4.06Å; V725-L729 HydrophobicContact CB-CG 4.13Å; V725-L729 HydrophobicContact CG1-CD2 4.11Å; V725-L729 PolarHBondContact N-O 3.24Å; V725-L729 PolarHBondContact O-N 2.74Å; V725-L729 VanDerWaalsContact O-O 3.04Å
730	I	96.6	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.4	167.5	-56.6	168.1	0	0	0	106.9	F549 I557 I568 I723 F732 M756	F549-I730 WeakPolarHBondContact CA-O 3.48Å; F549-I730 HydrophobicContact CB-CB 4.29Å; F549-I730 WeakPolarHBondContact CB-O 3.24Å; F549-I730 HydrophobicContact CD1-CD1 4.35Å; F549-I730 PolarHBondContact N-O 2.84Å; F549-I730 PolarHBondContact O-N 2.87Å; I557-I730 HydrophobicContact CD1-CD1 4.22Å; I568-I730 HydrophobicContact CD1-CD1 4.04Å; I568-I730 HydrophobicContact CD1-CG2 4.08Å; I568-I730 HydrophobicContact CG1-CD1 4.4Å; I723-I730 WeakPolarHBondContact O-CA 3.46Å; I723-I730 WeakPolarHBondContact O-CG2 3.38Å; I730-F732 HydrophobicContact CB-CE2 4.11Å; I730-F732 HydrophobicContact CG2-CD2 4.08Å; I730-F732 HydrophobicContact CG2-CE1 4.28Å; I730-F732 HydrophobicContact CG2-CE2 3.44Å; I730-F732 VanDerWaalsContact CG2-CE2 3.44Å; I730-F732 HydrophobicContact CG2-CZ 3.56Å; I730-M756 HydrophobicContact CD1-CE 3.69Å
731	T	96.4	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.9	174.3	-48.8	0	0	0	0	109.2	L548 A706 Y722 I723	L548-T731 HydrophobicContact CD2-CG2 3.68Å; A706-T731 VanDerWaalsContact O-CB 3.27Å; A706-T731 WeakPolarHBondContact O-CB 3.08Å; A706-T731 WeakPolarHBondContact O-CG2 3.08Å; A706-T731 PolarHBondContact O-OG1 3.39Å; Y722-T731 CarbonylContact C-O 3.46Å; Y722-T731 WeakPolarHBondContact CA-O 3.4Å; Y722-T731 WeakPolarHBondContact CB-O 3.48Å; I723-T731 PolarHBondContact N-O 3.46Å; I723-T731 PolarHBondContact O-N 3Å
732	F	98	Very high	94.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.2	174	-62.3	-91	0	0	0	110	G546 H547 F549 I568 V720 S721 Y722 I730 I734 I752	G546-F732 CarbonylContact C-O 3.37Å; G546-F732 WeakPolarHBondContact CA-O 3.27Å; H547-F732 HydrophobicContact CB-CB 4.27Å; H547-F732 PolarHBondContact N-O 2.85Å; H547-F732 PolarHBondContact O-N 3.47Å; F549-F732 HydrophobicContact CB-CD2 4.33Å; F549-F732 HydrophobicContact CB-CE2 3.96Å; I568-F732 HydrophobicContact CG2-CE1 3.71Å; I568-F732 HydrophobicContact CG2-CZ 4.12Å; V720-F732 HydrophobicContact CG1-CD1 4.18Å; S721-F732 CarbonylContact O-C 3.57Å; S721-F732 WeakPolarHBondContact O-CA 3.1Å; Y722-F732 HydrophobicContact CG-CD1 4.45Å; Y722-F732 HydrophobicContact CG-CE1 4.28Å; I730-F732 HydrophobicContact CB-CE2 4.11Å; I730-F732 HydrophobicContact CG2-CD2 4.08Å; I730-F732 HydrophobicContact CG2-CE1 4.28Å; I730-F732 HydrophobicContact CG2-CE2 3.44Å; I730-F732 VanDerWaalsContact CG2-CE2 3.44Å; I730-F732 HydrophobicContact CG2-CZ 3.56Å; F732-I734 HydrophobicContact CB-CD1 4.31Å; F732-I734 HydrophobicContact CB-CG1 4.31Å; F732-I752 HydrophobicContact CD1-CG2 4.36Å; F732-I752 HydrophobicContact CE1-CG2 4.03Å; F732-I752 HydrophobicContact CE2-CG2 4.19Å; F732-I752 HydrophobicContact CZ-CG2 3.93Å
733	H	98.2	Very high	94.7	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.7	167.1	-64.1	-83.5	0	0	0	107.8	Y255 M257 A706 G708 V720 S721	Y255-H733 PolarHBondContact OH-ND1 2.8Å; Y255-H733 VanDerWaalsContact OH-ND1 3.14Å; M257-H733 VanDerWaalsContact SD-CE1 3.53Å; A706-H733 PolarHBondContact O-NE2 2.86Å; A706-H733 VanDerWaalsContact O-NE2 3.1Å; G708-H733 PolarHBondContact N-CD2 2.88Å; G708-H733 PolarHBondContact N-NE2 3.09Å; G708-H733 PolarHBondContact O-CD2 3.17Å; V720-H733 WeakPolarHBondContact CA-O 3.14Å; S721-H733 PolarHBondContact N-O 2.95Å; S721-H733 PolarHBondContact O-N 3.34Å
734	I	98.6	Very high	94.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.2	-173.7	-57.4	154.6	0	0	0	107.8	F544 H545 Y718 G719 V720 F732 F748 A749 I752	F544-I734 CarbonylContact C-O 3.46Å; F544-I734 VanDerWaalsContact CA-O 3.32Å; F544-I734 WeakPolarHBondContact CA-O 3.45Å; H545-I734 PolarHBondContact N-O 2.86Å; H545-I734 PolarHBondContact O-N 3.15Å; Y718-I734 HydrophobicContact CD1-CG2 4.27Å; G719-I734 CarbonylContact O-C 3.59Å; G719-I734 VanDerWaalsContact O-CA 3.29Å; G719-I734 WeakPolarHBondContact O-CA 3.27Å; V720-I734 HydrophobicContact CG1-CG1 4.29Å; V720-I734 HydrophobicContact CG2-CG1 4.36Å; V720-I734 HydrophobicContact CG2-CG2 4.39Å; F732-I734 HydrophobicContact CB-CD1 4.31Å; F732-I734 HydrophobicContact CB-CG1 4.31Å; I734-F748 HydrophobicContact CG2-CB 4.44Å; I734-F748 HydrophobicContact CG2-CD1 3.9Å; I734-A749 HydrophobicContact CD1-CB 3.44Å; I734-A749 VanDerWaalsContact CD1-CB 3.44Å; I734-I752 HydrophobicContact CD1-CD1 3.74Å; I734-I752 HydrophobicContact CG1-CD1 4.17Å
735	S	98.5	Very high	95	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.3	176.5	63.7	0	0	0	0	111.8	D543 F710 G711 P712 Y718 G719	D543-S735 WeakPolarHBondContact O-CA 3.27Å; F710-S735 WeakPolarHBondContact O-CB 3.48Å; F710-S735 PolarHBondContact O-OG 2.99Å; G711-S735 VanDerWaalsContact C-OG 3.31Å; G711-S735 WeakPolarHBondContact CA-OG 3.3Å; P712-S735 WeakPolarHBondContact CD-OG 3.35Å; Y718-S735 CarbonylContact C-O 3.57Å; Y718-S735 VanDerWaalsContact CA-O 3.27Å; Y718-S735 WeakPolarHBondContact CA-O 3.49Å; G719-S735 PolarHBondContact N-O 3.17Å; G719-S735 PolarHBondContact O-N 3.29Å
736	S	98.3	Very high	95.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	-170.5	174.6	59.8	0	0	0	0	110.1	D543 S745	D543-S736 PolarHBondContact N-O 3.18Å; D543-S736 PolarHBondContact O-N 2.92Å; S736-S745 PolarHBondContact N-OG 3.14Å; S736-S745 PolarHBondContact OG-N 2.87Å; S736-S745 PolarHBondContact OG-OG 3.32Å
737	K	97.4	Very high	95.9	Very high	19 Å²	19	43.4 Å²	43.4	8%	0.083	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.4	176.9	-65.5	-167.5	175.6	-174.3	0	112.1	D541 P712 D715 S739 R740 T743	D541-K737 CarbonylContact O-C 3.53Å; D541-K737 WeakPolarHBondContact O-CA 3.18Å; P712-K737 HydrophobicContact CG-CG 3.91Å; D715-K737 HydrophobicContact CB-CD 4.27Å; D715-K737 WeakPolarHBondContact OD1-CE 3.1Å; D715-K737 IonicContact OD1-NZ 3.32Å; D715-K737 PolarHBondContact OD1-NZ 3.4Å; K737-S739 VanDerWaalsContact C-N 3.26Å; K737-S739 PolarHBondContact O-N 3.37Å; K737-R740 HydrophobicContact CB-CG 4.49Å; K737-R740 PolarHBondContact O-N 2.64Å; K737-T743 PolarHBondContact O-OG1 3.33Å
738	F	97.1	Very high	96.4	Very high	110 Å²	110	39.3 Å²	39.3	48%	0.482	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.7	175.8	-71.9	-63.7	0	0	0	112.4	D540 D541 V542 D543 R740	D540-F738 WeakPolarHBondContact O-CD2 3.42Å; D541-F738 PolarHBondContact O-N 2.78Å; D541-F738 PolarHBondContact OD1-N 2.78Å; V542-F738 WeakPolarHBondContact O-CE2 3.47Å; D543-F738 HydrophobicContact CB-CD1 4.09Å; D543-F738 HydrophobicContact CB-CD2 4.18Å; D543-F738 HydrophobicContact CB-CE1 3.72Å; D543-F738 HydrophobicContact CB-CE2 3.83Å; D543-F738 HydrophobicContact CB-CG 4.31Å; D543-F738 HydrophobicContact CB-CZ 3.58Å; D543-F738 VanDerWaalsContact OD1-CZ 3.3Å; D543-F738 WeakPolarHBondContact OD1-CZ 3.3Å; F738-R740 PolarHBondContact O-N 2.96Å; F738-R740 VanDerWaalsContact O-N 3.11Å
739	S	96.1	Very high	96.7	Very high	61 Å²	61	34.4 Å²	34.4	43%	0.427	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.3	176.2	56.9	0	0	0	0	114	D541 K737	D541-S739 VanDerWaalsContact CG-OG 3.29Å; D541-S739 WeakPolarHBondContact OD1-CA 3.39Å; D541-S739 WeakPolarHBondContact OD1-CB 3.3Å; D541-S739 PolarHBondContact OD1-N 2.89Å; D541-S739 PolarHBondContact OD1-OG 2.99Å; D541-S739 PolarHBondContact OD2-OG 3.13Å; K737-S739 VanDerWaalsContact C-N 3.26Å; K737-S739 PolarHBondContact O-N 3.37Å
740	R	95	Very high	97	Very high	103 Å²	103	41 Å²	41	39%	0.389	19%	0.19	S	C	.	.			trans	-111.9	103.9	178.6	-60.2	-53.6	-175.5	169.5	0.1	111	D715 D716 K737 F738 N742 T743	D715-R740 HydrophobicContact CB-CG 4.37Å; D715-R740 WeakPolarHBondContact O-CG 3.44Å; D715-R740 IonicContact OD2-NH2 2.9Å; D715-R740 PolarHBondContact OD2-NH2 3.44Å; D716-R740 HydrophobicContact CB-CG 4.4Å; K737-R740 HydrophobicContact CB-CG 4.49Å; K737-R740 PolarHBondContact O-N 2.64Å; F738-R740 PolarHBondContact O-N 2.96Å; F738-R740 VanDerWaalsContact O-N 3.11Å; R740-N742 PolarHBondContact O-N 3.17Å; R740-N742 VanDerWaalsContact O-N 3.09Å; R740-T743 PolarHBondContact O-N 3.34Å; R740-T743 PolarHBondContact O-OG1 3.11Å; R740-T743 VanDerWaalsContact O-OG1 3.11Å
741	H	91.1	Very high	97.1	Very high	181 Å²	181	43.1 Å²	43.1	84%	0.838	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.1	-179.2	-59.7	-61	0	0	0	114.8	T743	H741-T743 VanDerWaalsContact C-N 3.31Å
742	N	91.8	Very high	97.2	Very high	60 Å²	60	43.1 Å²	43.1	32%	0.321	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.1	178	68.4	-56.7	0	0	0	112.6	Q580 R740 R747	Q580-N742 PolarHBondContact NE2-O 3.31Å; Q580-N742 PolarHBondContact OE1-ND2 3.23Å; R740-N742 PolarHBondContact O-N 3.17Å; R740-N742 VanDerWaalsContact O-N 3.09Å; N742-R747 PolarHBondContact O-NH2 3.24Å
743	T	96.5	Very high	97.2	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	22%	0.219	C	C	.	.			trans	-110.8	140.9	179.9	55.7	0	0	0	0	112.7	Y718 K737 R740 H741	Y718-T743 HydrophobicContact CD2-CG2 4.45Å; Y718-T743 HydrophobicContact CE1-CG2 4.28Å; Y718-T743 HydrophobicContact CE2-CG2 3.97Å; Y718-T743 VanDerWaalsContact OH-CA 3.31Å; Y718-T743 WeakPolarHBondContact OH-CA 3.39Å; K737-T743 PolarHBondContact O-OG1 3.33Å; R740-T743 PolarHBondContact O-N 3.34Å; R740-T743 PolarHBondContact O-OG1 3.11Å; R740-T743 VanDerWaalsContact O-OG1 3.11Å; H741-T743 VanDerWaalsContact C-N 3.31Å
744	D	97.9	Very high	97.2	Very high	55 Å²	55	53.2 Å²	53.2	29%	0.294	24%	0.241	S	C	.	.			trans	-154.3	116.4	176.3	172.9	-30	0	0	0	109.3	Y718 T746 R747 F748	Y718-D744 PolarHBondContact OH-N 3.19Å; D744-T746 VanDerWaalsContact C-N 3.32Å; D744-T746 PolarHBondContact O-N 3.43Å; D744-T746 WeakPolarHBondContact OD1-CA 3.24Å; D744-T746 WeakPolarHBondContact OD1-CB 3.47Å; D744-T746 PolarHBondContact OD1-N 3.23Å; D744-R747 HydrophobicContact CB-CB 3.76Å; D744-R747 VanDerWaalsContact CG-CB 3.46Å; D744-R747 PolarHBondContact O-N 2.94Å; D744-R747 PolarHBondContact OD1-N 3.09Å; D744-F748 VanDerWaalsContact O-CB 3.28Å; D744-F748 WeakPolarHBondContact O-CB 3.42Å; D744-F748 PolarHBondContact O-N 3.41Å
745	S	98.1	Very high	97.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-34.5	-172.2	-43.9	0	0	0	0	112.2	D543 S736 A749	D543-S745 VanDerWaalsContact CG-OG 3.24Å; D543-S745 WeakPolarHBondContact OD2-CB 3.38Å; D543-S745 PolarHBondContact OD2-N 2.63Å; D543-S745 PolarHBondContact OD2-OG 2.79Å; S736-S745 PolarHBondContact N-OG 3.14Å; S736-S745 PolarHBondContact OG-N 2.87Å; S736-S745 PolarHBondContact OG-OG 3.32Å; S745-A749 WeakPolarHBondContact O-CB 3.34Å; S745-A749 PolarHBondContact O-N 2.84Å
746	T	97.6	Very high	97.2	Very high	39 Å²	39	53.2 Å²	53.2	24%	0.239	24%	0.241	C	C	.	.	H	α-helix	trans	-74.1	-43.4	-179.9	-60.4	0	0	0	0	110.9	D744 F748 A749 R750	D744-T746 VanDerWaalsContact C-N 3.32Å; D744-T746 PolarHBondContact O-N 3.43Å; D744-T746 WeakPolarHBondContact OD1-CA 3.24Å; D744-T746 WeakPolarHBondContact OD1-CB 3.47Å; D744-T746 PolarHBondContact OD1-N 3.23Å; T746-F748 VanDerWaalsContact C-N 3.33Å; T746-A749 WeakPolarHBondContact O-CB 3.17Å; T746-A749 PolarHBondContact O-N 3.13Å; T746-R750 PolarHBondContact O-N 3.34Å
747	R	97.9	Very high	97.2	Very high	60 Å²	60	55.4 Å²	55.4	23%	0.226	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-45	172.4	-173.1	-177.9	76.4	-150.6	0.9	110.6	D579 Y718 N742 D744 A749 R750 H751	D579-R747 VanDerWaalsContact CG-NH2 3.26Å; D579-R747 IonicContact OD1-CZ 3.34Å; D579-R747 IonicContact OD1-NE 2.94Å; D579-R747 PolarHBondContact OD1-NE 3.44Å; D579-R747 IonicContact OD1-NH2 2.68Å; D579-R747 PolarHBondContact OD1-NH2 3.33Å; D579-R747 IonicContact OD2-CZ 2.82Å; D579-R747 IonicContact OD2-NE 3.82Å; D579-R747 IonicContact OD2-NH2 3.81Å; D579-R747 PolarHBondContact OD2-NH2 2.95Å; Y718-R747 PolarHBondContact OH-NH2 3.5Å; N742-R747 PolarHBondContact O-NH2 3.24Å; D744-R747 HydrophobicContact CB-CB 3.76Å; D744-R747 VanDerWaalsContact CG-CB 3.46Å; D744-R747 PolarHBondContact O-N 2.94Å; D744-R747 PolarHBondContact OD1-N 3.09Å; R747-A749 VanDerWaalsContact C-N 3.32Å; R747-A749 PolarHBondContact O-N 2.75Å; R747-R750 WeakPolarHBondContact O-CB 3.44Å; R747-R750 PolarHBondContact O-N 3.39Å; R747-R750 VanDerWaalsContact O-N 3.13Å; R747-H751 PolarHBondContact O-CD2 3.48Å; R747-H751 VanDerWaalsContact O-CD2 3.23Å; R747-H751 PolarHBondContact O-N 2.79Å; R747-H751 VanDerWaalsContact O-N 3.08Å
748	F	98.6	Very high	97.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-40.1	179.2	-164.6	-127.2	0	0	0	112.1	A575 Q576 D579 L682 Y718 V720 I734 D744 T746 R750 H751 I752	A575-F748 HydrophobicContact CB-CE2 3.84Å; A575-F748 HydrophobicContact CB-CZ 4.22Å; Q576-F748 HydrophobicContact CB-CE2 4.15Å; Q576-F748 HydrophobicContact CB-CZ 4.15Å; D579-F748 HydrophobicContact CB-CD2 3.91Å; D579-F748 HydrophobicContact CB-CE2 4.24Å; L682-F748 HydrophobicContact CD1-CE1 4.14Å; L682-F748 HydrophobicContact CD1-CZ 4.34Å; Y718-F748 HydrophobicContact CD1-CB 4.26Å; Y718-F748 AromaticContact CD1-CD1 3.9Å; Y718-F748 HydrophobicContact CD1-CD1 3.9Å; Y718-F748 HydrophobicContact CD1-CG 4.16Å; Y718-F748 HydrophobicContact CD2-CD1 4.23Å; Y718-F748 HydrophobicContact CD2-CE1 4.25Å; Y718-F748 HydrophobicContact CD2-CG 4.37Å; Y718-F748 HydrophobicContact CD2-CZ 4.45Å; Y718-F748 HydrophobicContact CE1-CB 3.71Å; Y718-F748 HydrophobicContact CE1-CD1 4.18Å; Y718-F748 AromaticContact CE1-CG 3.95Å; Y718-F748 HydrophobicContact CE1-CG 3.95Å; Y718-F748 HydrophobicContact CE2-CD1 4.46Å; Y718-F748 HydrophobicContact CE2-CD2 4.1Å; Y718-F748 HydrophobicContact CE2-CE2 4.46Å; Y718-F748 HydrophobicContact CE2-CG 4.14Å; Y718-F748 AromaticContact CG-CD1 3.92Å; Y718-F748 HydrophobicContact CG-CD1 3.92Å; Y718-F748 HydrophobicContact CG-CE1 4.13Å; Y718-F748 HydrophobicContact CG-CG 4.36Å; Y718-F748 AromaticContact CZ-CG 3.91Å; V720-F748 HydrophobicContact CG2-CD1 4.3Å; V720-F748 HydrophobicContact CG2-CE1 3.82Å; I734-F748 HydrophobicContact CG2-CB 4.44Å; I734-F748 HydrophobicContact CG2-CD1 3.9Å; D744-F748 VanDerWaalsContact O-CB 3.28Å; D744-F748 WeakPolarHBondContact O-CB 3.42Å; D744-F748 PolarHBondContact O-N 3.41Å; T746-F748 VanDerWaalsContact C-N 3.33Å; F748-R750 VanDerWaalsContact C-N 3.32Å; F748-R750 PolarHBondContact O-N 3.42Å; F748-H751 CarbonylContact O-C 3.47Å; F748-H751 WeakPolarHBondContact O-CA 3.48Å; F748-H751 WeakPolarHBondContact O-CB 3.37Å; F748-H751 PolarHBondContact O-N 2.86Å; F748-I752 HydrophobicContact CD1-CD1 3.85Å; F748-I752 HydrophobicContact CD1-CG1 4.42Å; F748-I752 HydrophobicContact CE1-CD1 3.83Å; F748-I752 HydrophobicContact CE1-CG1 4.3Å; F748-I752 HydrophobicContact CZ-CD1 4.46Å; F748-I752 HydrophobicContact CZ-CG1 4.46Å; F748-I752 WeakPolarHBondContact O-CG1 3.19Å; F748-I752 PolarHBondContact O-N 3.2Å
749	A	98.3	Very high	97.3	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-41	173.3	0	0	0	0	0	113.3	H545 H547 I734 S745 T746 R747 H751 I752 R753	H545-A749 WeakPolarHBondContact CD2-CB 3.49Å; H547-A749 HydrophobicContact CB-CB 4.2Å; I734-A749 HydrophobicContact CD1-CB 3.44Å; I734-A749 VanDerWaalsContact CD1-CB 3.44Å; S745-A749 WeakPolarHBondContact O-CB 3.34Å; S745-A749 PolarHBondContact O-N 2.84Å; T746-A749 WeakPolarHBondContact O-CB 3.17Å; T746-A749 PolarHBondContact O-N 3.13Å; R747-A749 VanDerWaalsContact C-N 3.32Å; R747-A749 PolarHBondContact O-N 2.75Å; A749-H751 VanDerWaalsContact C-N 3.32Å; A749-H751 PolarHBondContact O-N 3.49Å; A749-I752 PolarHBondContact O-N 3.48Å; A749-R753 WeakPolarHBondContact O-CB 3.5Å; A749-R753 PolarHBondContact O-N 3.04Å
750	R	98.4	Very high	97.3	Very high	158 Å²	158	49.3 Å²	49.3	60%	0.596	22%	0.22	S	C	*	.	H	α-helix	trans	-62.2	-40.7	174	-68.4	-177.2	-70.3	134.9	-6.6	111.4	T746 R747 F748 R753 K754	T746-R750 PolarHBondContact O-N 3.34Å; R747-R750 WeakPolarHBondContact O-CB 3.44Å; R747-R750 PolarHBondContact O-N 3.39Å; R747-R750 VanDerWaalsContact O-N 3.13Å; F748-R750 VanDerWaalsContact C-N 3.32Å; F748-R750 PolarHBondContact O-N 3.42Å; R750-R753 PolarHBondContact O-N 2.93Å; R750-K754 WeakPolarHBondContact O-CB 3.44Å; R750-K754 PolarHBondContact O-N 3.38Å
751	H	98.7	Very high	97.3	Very high	43 Å²	43	46.8 Å²	46.8	20%	0.199	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-41.5	174.4	-73.7	-67.4	0	0	0	112.3	A575 D579 R747 F748 A749 K754 A755	A575-H751 HydrophobicContact CB-CB 3.85Å; D579-H751 IonicContact OD1-CD2 2.82Å; D579-H751 PolarHBondContact OD1-CD2 3.34Å; D579-H751 VanDerWaalsContact OD1-CD2 3.27Å; D579-H751 IonicContact OD1-NE2 2.68Å; R747-H751 PolarHBondContact O-CD2 3.48Å; R747-H751 VanDerWaalsContact O-CD2 3.23Å; R747-H751 PolarHBondContact O-N 2.79Å; R747-H751 VanDerWaalsContact O-N 3.08Å; F748-H751 CarbonylContact O-C 3.47Å; F748-H751 WeakPolarHBondContact O-CA 3.48Å; F748-H751 WeakPolarHBondContact O-CB 3.37Å; F748-H751 PolarHBondContact O-N 2.86Å; A749-H751 VanDerWaalsContact C-N 3.32Å; A749-H751 PolarHBondContact O-N 3.49Å; H751-K754 PolarHBondContact O-N 2.8Å; H751-A755 VanDerWaalsContact O-CB 3.28Å; H751-A755 WeakPolarHBondContact O-CB 3.48Å; H751-A755 PolarHBondContact O-N 3.02Å
752	I	98.8	Very high	97.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-51.7	174.7	-66.4	170.8	0	0	0	110.2	L572 A575 F732 I734 F748 A749 K754 A755 M756	L572-I752 HydrophobicContact CD2-CD1 3.54Å; L572-I752 HydrophobicContact CD2-CG1 3.73Å; L572-I752 HydrophobicContact CD2-CG2 4.31Å; A575-I752 HydrophobicContact CB-CB 4.46Å; A575-I752 HydrophobicContact CB-CG1 3.79Å; F732-I752 HydrophobicContact CD1-CG2 4.36Å; F732-I752 HydrophobicContact CE1-CG2 4.03Å; F732-I752 HydrophobicContact CE2-CG2 4.19Å; F732-I752 HydrophobicContact CZ-CG2 3.93Å; I734-I752 HydrophobicContact CD1-CD1 3.74Å; I734-I752 HydrophobicContact CG1-CD1 4.17Å; F748-I752 HydrophobicContact CD1-CD1 3.85Å; F748-I752 HydrophobicContact CD1-CG1 4.42Å; F748-I752 HydrophobicContact CE1-CD1 3.83Å; F748-I752 HydrophobicContact CE1-CG1 4.3Å; F748-I752 HydrophobicContact CZ-CD1 4.46Å; F748-I752 HydrophobicContact CZ-CG1 4.46Å; F748-I752 WeakPolarHBondContact O-CG1 3.19Å; F748-I752 PolarHBondContact O-N 3.2Å; A749-I752 PolarHBondContact O-N 3.48Å; I752-K754 VanDerWaalsContact C-N 3.33Å; I752-K754 PolarHBondContact O-N 3.38Å; I752-A755 PolarHBondContact O-N 3.31Å; I752-M756 HydrophobicContact CG2-CG 4.31Å; I752-M756 VanDerWaalsContact O-CG 3.24Å; I752-M756 WeakPolarHBondContact O-CG 3.36Å; I752-M756 PolarHBondContact O-N 3.05Å
753	R	98.6	Very high	97.4	Very high	104 Å²	104	36.2 Å²	36.2	39%	0.392	17%	0.165	S	C	.	.	H	α-helix	trans	-56.4	-47.5	178.1	-176.6	-179.5	-179.7	-88	-1.9	111.5	F549 E551 A749 R750 M756 I757	F549-R753 HydrophobicContact CD2-CG 4.13Å; F549-R753 HydrophobicContact CE2-CG 4Å; E551-R753 IonicContact OE1-CZ 3.19Å; E551-R753 IonicContact OE1-NE 3.79Å; E551-R753 PolarHBondContact OE1-NE 3.35Å; E551-R753 IonicContact OE1-NH2 2.69Å; E551-R753 PolarHBondContact OE1-NH2 2.8Å; A749-R753 WeakPolarHBondContact O-CB 3.5Å; A749-R753 PolarHBondContact O-N 3.04Å; R750-R753 PolarHBondContact O-N 2.93Å; R753-M756 PolarHBondContact O-N 3.19Å; R753-I757 HydrophobicContact CG-CD1 4.03Å; R753-I757 WeakPolarHBondContact O-CG1 3.34Å; R753-I757 PolarHBondContact O-N 2.9Å; R753-I757 VanDerWaalsContact O-N 3.13Å
754	K	98.7	Very high	96.5	Very high	111 Å²	111	41 Å²	41	48%	0.483	19%	0.185	S	C	.	.	H	α-helix	trans	-61.4	-47.2	177.8	-172.6	-174.5	171.4	77.9	0	111.2	R750 H751 I752 M756 I757 D758	R750-K754 WeakPolarHBondContact O-CB 3.44Å; R750-K754 PolarHBondContact O-N 3.38Å; H751-K754 PolarHBondContact O-N 2.8Å; I752-K754 VanDerWaalsContact C-N 3.33Å; I752-K754 PolarHBondContact O-N 3.38Å; K754-M756 PolarHBondContact O-N 3.49Å; K754-I757 PolarHBondContact O-N 2.7Å; K754-D758 WeakPolarHBondContact O-CB 3.31Å; K754-D758 PolarHBondContact O-N 2.85Å
755	A	98.8	Very high	95	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-45.1	178.2	0	0	0	0	0	112.2	A571 L574 A575 H751 I752 I757 D758 I759	A571-A755 HydrophobicContact CB-CB 4.15Å; A571-A755 WeakPolarHBondContact O-CB 3.42Å; L574-A755 HydrophobicContact CB-CB 4.06Å; L574-A755 HydrophobicContact CD2-CB 3.86Å; L574-A755 HydrophobicContact CG-CB 3.98Å; A575-A755 HydrophobicContact CB-CB 4.34Å; H751-A755 VanDerWaalsContact O-CB 3.28Å; H751-A755 WeakPolarHBondContact O-CB 3.48Å; H751-A755 PolarHBondContact O-N 3.02Å; I752-A755 PolarHBondContact O-N 3.31Å; A755-I757 VanDerWaalsContact C-N 3.34Å; A755-I757 PolarHBondContact O-N 2.94Å; A755-D758 PolarHBondContact O-N 3.34Å; A755-I759 WeakPolarHBondContact O-CB 3.49Å; A755-I759 WeakPolarHBondContact O-CD1 3.39Å; A755-I759 WeakPolarHBondContact O-CG1 3.45Å; A755-I759 PolarHBondContact O-N 2.81Å
756	M	98.4	Very high	93.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-45.1	176.4	-69.7	-72.5	-72.4	0	0	111.8	F549 F552 F567 I568 A571 I730 I752 R753 K754 Q760	F549-M756 HydrophobicContact CD1-CE 4.49Å; F549-M756 HydrophobicContact CE1-CE 4.19Å; F549-M756 HydrophobicContact CE2-CB 3.74Å; F549-M756 HydrophobicContact CE2-CG 4.34Å; F549-M756 HydrophobicContact CZ-CB 3.71Å; F549-M756 HydrophobicContact CZ-CE 4.47Å; F549-M756 HydrophobicContact CZ-CG 4.46Å; F552-M756 HydrophobicContact CE2-CE 3.78Å; F552-M756 HydrophobicContact CZ-CB 4.06Å; F552-M756 HydrophobicContact CZ-CE 4.03Å; F552-M756 WeakPolarHBondContact CZ-O 3.49Å; F567-M756 HydrophobicContact CD1-CE 3.92Å; F567-M756 HydrophobicContact CD1-SD 3.71Å; F567-M756 HydrophobicContact CE1-CE 3.78Å; F567-M756 HydrophobicContact CE1-SD 3.58Å; F567-M756 VanDerWaalsContact CE1-SD 3.58Å; I568-M756 HydrophobicContact CG1-CE 4.1Å; I568-M756 HydrophobicContact CG1-SD 4.27Å; A571-M756 HydrophobicContact CB-CG 3.9Å; A571-M756 HydrophobicContact CB-SD 3.44Å; A571-M756 WeakPolarHBondContact CB-SD 3.31Å; I730-M756 HydrophobicContact CD1-CE 3.69Å; I752-M756 HydrophobicContact CG2-CG 4.31Å; I752-M756 VanDerWaalsContact O-CG 3.24Å; I752-M756 WeakPolarHBondContact O-CG 3.36Å; I752-M756 PolarHBondContact O-N 3.05Å; R753-M756 PolarHBondContact O-N 3.19Å; K754-M756 PolarHBondContact O-N 3.49Å; M756-Q760 WeakPolarHBondContact O-CB 3.38Å; M756-Q760 PolarHBondContact O-N 3.46Å; M756-Q760 VanDerWaalsContact O-N 3.11Å
757	I	98.1	Very high	91.7	Very high	47 Å²	47	49 Å²	49	24%	0.241	22%	0.216	C	C	.	.	H	α-helix	trans	-69.5	-43	179.5	-67	168.1	0	0	0	111.8	F549 R753 K754 A755 Q760 T761	F549-I757 HydrophobicContact CE2-CG1 4.39Å; F549-I757 HydrophobicContact CZ-CG1 4.45Å; R753-I757 HydrophobicContact CG-CD1 4.03Å; R753-I757 WeakPolarHBondContact O-CG1 3.34Å; R753-I757 PolarHBondContact O-N 2.9Å; R753-I757 VanDerWaalsContact O-N 3.13Å; K754-I757 PolarHBondContact O-N 2.7Å; A755-I757 VanDerWaalsContact C-N 3.34Å; A755-I757 PolarHBondContact O-N 2.94Å; I757-Q760 WeakPolarHBondContact O-CB 3.41Å; I757-Q760 PolarHBondContact O-N 2.89Å; I757-T761 PolarHBondContact O-N 3.38Å; I757-T761 PolarHBondContact O-OG1 3.34Å
758	D	98.1	Very high	89.9	Confident	41 Å²	41	51.1 Å²	51.1	22%	0.219	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-45.2	-179.8	-69.3	-11	0	0	0	110.6	R578 M617 K754 A755 Q760 T761 L762	R578-D758 IonicContact CZ-OD2 3.83Å; R578-D758 VanDerWaalsContact CZ-OD2 3.24Å; R578-D758 IonicContact NH1-OD2 3.19Å; R578-D758 PolarHBondContact NH1-OD2 2.91Å; R578-D758 IonicContact NH2-OD2 3.89Å; R578-D758 PolarHBondContact NH2-OD2 3.15Å; M617-D758 HydrophobicContact CE-CB 3.79Å; K754-D758 WeakPolarHBondContact O-CB 3.31Å; K754-D758 PolarHBondContact O-N 2.85Å; A755-D758 PolarHBondContact O-N 3.34Å; D758-Q760 VanDerWaalsContact C-N 3.33Å; D758-Q760 PolarHBondContact O-N 3.34Å; D758-T761 WeakPolarHBondContact O-CB 3.29Å; D758-T761 PolarHBondContact O-N 3.44Å; D758-L762 PolarHBondContact O-N 2.71Å
759	I	98	Very high	87.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-44.5	175.2	-67.1	167.5	0	0	0	110.6	F567 A571 L574 F613 F631 A755 T761 L762 F763	F567-I759 HydrophobicContact CD2-CG2 4.04Å; F567-I759 HydrophobicContact CE1-CB 4.37Å; F567-I759 HydrophobicContact CE1-CG2 4.15Å; F567-I759 HydrophobicContact CE2-CB 4.26Å; F567-I759 HydrophobicContact CE2-CG2 3.32Å; F567-I759 HydrophobicContact CZ-CB 3.8Å; F567-I759 HydrophobicContact CZ-CG2 3.38Å; A571-I759 HydrophobicContact CB-CD1 3.81Å; L574-I759 HydrophobicContact CD2-CD1 4.46Å; L574-I759 HydrophobicContact CD2-CG1 4.35Å; F613-I759 HydrophobicContact CE1-CD1 4.31Å; F613-I759 HydrophobicContact CZ-CD1 3.93Å; F613-I759 HydrophobicContact CZ-CG1 3.79Å; F631-I759 HydrophobicContact CD2-CG2 3.81Å; F631-I759 HydrophobicContact CE1-CG2 4.33Å; F631-I759 HydrophobicContact CE2-CD1 4.17Å; F631-I759 HydrophobicContact CE2-CG1 4.45Å; F631-I759 HydrophobicContact CE2-CG2 3.37Å; F631-I759 HydrophobicContact CG-CG2 4.44Å; F631-I759 HydrophobicContact CZ-CG2 3.67Å; A755-I759 WeakPolarHBondContact O-CB 3.49Å; A755-I759 WeakPolarHBondContact O-CD1 3.39Å; A755-I759 WeakPolarHBondContact O-CG1 3.45Å; A755-I759 PolarHBondContact O-N 2.81Å; I759-T761 PolarHBondContact O-N 2.89Å; I759-L762 WeakPolarHBondContact O-CB 3.18Å; I759-L762 PolarHBondContact O-N 2.64Å; I759-F763 HydrophobicContact CG2-CE2 4.32Å; I759-F763 WeakPolarHBondContact O-CD2 3.38Å
760	Q	95.9	Very high	86	Confident	21 Å²	21	60.1 Å²	60.1	10%	0.098	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-36.7	177.9	-175.1	-123.2	50.8	0	0	112.4	F552 L556 M756 I757 D758 L762 F763	F552-Q760 HydrophobicContact CD1-CG 4.21Å; F552-Q760 HydrophobicContact CE1-CB 3.76Å; F552-Q760 HydrophobicContact CE1-CG 3.88Å; F552-Q760 HydrophobicContact CZ-CB 3.95Å; F552-Q760 HydrophobicContact CZ-CG 4.32Å; L556-Q760 HydrophobicContact CD2-CG 3.56Å; L556-Q760 VanDerWaalsContact CD2-NE2 3.3Å; M756-Q760 WeakPolarHBondContact O-CB 3.38Å; M756-Q760 PolarHBondContact O-N 3.46Å; M756-Q760 VanDerWaalsContact O-N 3.11Å; I757-Q760 WeakPolarHBondContact O-CB 3.41Å; I757-Q760 PolarHBondContact O-N 2.89Å; D758-Q760 VanDerWaalsContact C-N 3.33Å; D758-Q760 PolarHBondContact O-N 3.34Å; Q760-L762 VanDerWaalsContact C-N 3.27Å; Q760-L762 PolarHBondContact O-N 2.84Å; Q760-F763 PolarHBondContact O-N 2.8Å
761	T	95.1	Very high	83.8	Confident	50 Å²	50	55.6 Å²	55.6	31%	0.307	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-31.2	-178.4	-59	0	0	0	0	112.3	I757 D758 I759 F763 K764 Q765	I757-T761 PolarHBondContact O-N 3.38Å; I757-T761 PolarHBondContact O-OG1 3.34Å; D758-T761 WeakPolarHBondContact O-CB 3.29Å; D758-T761 PolarHBondContact O-N 3.44Å; I759-T761 PolarHBondContact O-N 2.89Å; T761-F763 PolarHBondContact O-N 2.78Å; T761-K764 PolarHBondContact O-N 3.48Å; T761-Q765 PolarHBondContact O-N 3.36Å
762	L	94.9	Very high	81.7	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-33.5	175.1	-59.3	178.6	0	0	0	112.6	M617 N624 R627 L628 D758 I759 Q760	M617-L762 HydrophobicContact SD-CD1 3.85Å; M617-L762 HydrophobicContact SD-CD2 4.37Å; M617-L762 HydrophobicContact SD-CG 4.5Å; N624-L762 HydrophobicContact CB-CD2 4.11Å; R627-L762 HydrophobicContact CB-CD1 4.08Å; R627-L762 HydrophobicContact CB-CD2 3.94Å; L628-L762 HydrophobicContact CB-CB 4.38Å; L628-L762 HydrophobicContact CD1-CB 4.14Å; D758-L762 PolarHBondContact O-N 2.71Å; I759-L762 WeakPolarHBondContact O-CB 3.18Å; I759-L762 PolarHBondContact O-N 2.64Å; Q760-L762 VanDerWaalsContact C-N 3.27Å; Q760-L762 PolarHBondContact O-N 2.84Å
763	F	91.2	Very high	79.5	Confident	11 Å²	11	63.9 Å²	63.9	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-86	-24.5	-177.9	-68.9	-89	0	0	0	114.1	C560 F567 L628 F631 I759 Q760 T761	C560-F763 HydrophobicContact CB-CD1 3.63Å; C560-F763 HydrophobicContact CB-CD2 4.14Å; C560-F763 HydrophobicContact CB-CE1 3.65Å; C560-F763 HydrophobicContact CB-CE2 4.2Å; C560-F763 HydrophobicContact CB-CG 3.87Å; C560-F763 HydrophobicContact CB-CZ 3.95Å; C560-F763 WeakPolarHBondContact O-CE1 3.29Å; F567-F763 HydrophobicContact CE2-CE2 4.47Å; L628-F763 HydrophobicContact CD1-CD1 3.94Å; L628-F763 HydrophobicContact CD1-CD2 4.13Å; L628-F763 HydrophobicContact CD1-CE1 3.57Å; L628-F763 HydrophobicContact CD1-CE2 3.75Å; L628-F763 HydrophobicContact CD1-CG 4.22Å; L628-F763 HydrophobicContact CD1-CZ 3.45Å; L628-F763 VanDerWaalsContact CD1-CZ 3.45Å; F631-F763 AromaticContact CD1-CE2 3.88Å; F631-F763 HydrophobicContact CD1-CE2 3.88Å; F631-F763 AromaticContact CD1-CZ 3.64Å; F631-F763 HydrophobicContact CD1-CZ 3.64Å; F631-F763 AromaticContact CE1-CE2 3.7Å; F631-F763 HydrophobicContact CE1-CE2 3.7Å; F631-F763 AromaticContact CE1-CZ 3.51Å; F631-F763 HydrophobicContact CE1-CZ 3.51Å; F631-F763 HydrophobicContact CZ-CE2 4.44Å; I759-F763 HydrophobicContact CG2-CE2 4.32Å; I759-F763 WeakPolarHBondContact O-CD2 3.38Å; Q760-F763 PolarHBondContact O-N 2.8Å; T761-F763 PolarHBondContact O-N 2.78Å
764	K	77.2	Confident	77.2	Confident	110 Å²	110	63.9 Å²	63.9	48%	0.478	33%	0.326	S	S	.	.	H	α-helix	trans	-68.3	-45.4	176.7	-76.5	176.2	171	166	0	110.8	T761 E766 K767 D768	T761-K764 PolarHBondContact O-N 3.48Å; K764-E766 VanDerWaalsContact C-N 3.3Å; K764-E766 PolarHBondContact O-N 3.04Å; K764-K767 WeakPolarHBondContact O-CB 3.15Å; K764-K767 PolarHBondContact O-N 3.39Å; K764-K767 VanDerWaalsContact O-N 3.1Å; K764-D768 PolarHBondContact O-N 3.46Å; K764-D768 VanDerWaalsContact O-N 3.12Å
765	Q	65.2	Low	74.8	Confident	73 Å²	73	60.4 Å²	60.4	34%	0.341	32%	0.322	S	S	.	.	H	α-helix	trans	-67.8	-28.8	-178.1	-62.8	-179.8	1.9	0	0	113.4	N624 T761 K769	N624-Q765 PolarHBondContact ND2-OE1 3.23Å; T761-Q765 PolarHBondContact O-N 3.36Å; Q765-K769 WeakPolarHBondContact O-CG 3.43Å; Q765-K769 PolarHBondContact O-N 3.06Å
766	E	64.8	Low	72.5	Confident	75 Å²	75	66.9 Å²	66.9	35%	0.35	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-41.7	171.8	-172.7	-176.7	-149.5	0	0	111.2	L628 R632 K764 K769 S770	L628-E766 HydrophobicContact CD2-CB 4.22Å; L628-E766 HydrophobicContact CD2-CG 4.36Å; R632-E766 IonicContact CZ-OE1 2.99Å; R632-E766 IonicContact CZ-OE2 3.33Å; R632-E766 IonicContact NH1-OE1 3.51Å; R632-E766 PolarHBondContact NH1-OE1 2.58Å; R632-E766 IonicContact NH2-OE1 2.86Å; R632-E766 PolarHBondContact NH2-OE1 2.81Å; R632-E766 IonicContact NH2-OE2 2.84Å; R632-E766 PolarHBondContact NH2-OE2 3.31Å; K764-E766 VanDerWaalsContact C-N 3.3Å; K764-E766 PolarHBondContact O-N 3.04Å; E766-K769 PolarHBondContact O-N 2.94Å; E766-S770 WeakPolarHBondContact O-CB 3.48Å; E766-S770 PolarHBondContact O-N 3.45Å; E766-S770 PolarHBondContact O-OG 2.83Å
767	K	62.4	Low	70	Confident	113 Å²	113	71.6 Å²	71.6	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-65.8	-42.4	177.5	-72.4	-177.1	179	179.5	0	111.8	K764 S770 A771	K764-K767 WeakPolarHBondContact O-CB 3.15Å; K764-K767 PolarHBondContact O-N 3.39Å; K764-K767 VanDerWaalsContact O-N 3.1Å; K767-S770 WeakPolarHBondContact CA-OG 3.16Å; K767-S770 PolarHBondContact O-N 2.83Å; K767-S770 PolarHBondContact O-OG 3.48Å; K767-A771 WeakPolarHBondContact O-CB 3.44Å; K767-A771 PolarHBondContact O-N 2.82Å
768	D	61.1	Low	67.6	Low	105 Å²	105	73.5 Å²	73.5	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-65	-41.1	178.5	-62.3	-22.9	0	0	0	111.3	K764 A771 V772	K764-D768 PolarHBondContact O-N 3.46Å; K764-D768 VanDerWaalsContact O-N 3.12Å; D768-A771 PolarHBondContact O-N 3.47Å; D768-V772 VanDerWaalsContact O-CG2 3.28Å; D768-V772 WeakPolarHBondContact O-CG2 3.45Å; D768-V772 PolarHBondContact O-N 2.97Å
769	K	56.3	Low	65	Low	139 Å²	139	78 Å²	78	60%	0.604	41%	0.408	S	S	*	.	H	α-helix	trans	-63	-44.8	172.6	-75.6	-175.7	178.3	-173.6	0	112.5	Q765 E766 A771 V772 E773	Q765-K769 WeakPolarHBondContact O-CG 3.43Å; Q765-K769 PolarHBondContact O-N 3.06Å; E766-K769 PolarHBondContact O-N 2.94Å; K769-A771 VanDerWaalsContact C-N 3.31Å; K769-A771 PolarHBondContact O-N 3.41Å; K769-V772 PolarHBondContact O-N 3.23Å; K769-E773 PolarHBondContact O-N 3.48Å
770	S	58	Low	62.5	Low	52 Å²	52	83.1 Å²	83.1	36%	0.364	44%	0.435	S	S	.	.	H	α-helix	trans	-65.4	-32.4	177.6	71.6	0	0	0	0	113.2	E766 K767 N774	E766-S770 WeakPolarHBondContact O-CB 3.48Å; E766-S770 PolarHBondContact O-N 3.45Å; E766-S770 PolarHBondContact O-OG 2.83Å; K767-S770 WeakPolarHBondContact CA-OG 3.16Å; K767-S770 PolarHBondContact O-N 2.83Å; K767-S770 PolarHBondContact O-OG 3.48Å; S770-N774 VanDerWaalsContact O-CB 3.3Å; S770-N774 WeakPolarHBondContact O-CB 3.33Å; S770-N774 PolarHBondContact O-N 3.12Å; S770-N774 PolarHBondContact O-ND2 3.02Å; S770-N774 VanDerWaalsContact O-ND2 3.08Å
771	A	52.6	Low	59.9	Low	64 Å²	64	89.2 Å²	89.2	53%	0.529	46%	0.464	S	S	.	.	H	α-helix	trans	-70.7	-37.3	174.9	0	0	0	0	0	111.6	K767 D768 K769 G775	K767-A771 WeakPolarHBondContact O-CB 3.44Å; K767-A771 PolarHBondContact O-N 2.82Å; D768-A771 PolarHBondContact O-N 3.47Å; K769-A771 VanDerWaalsContact C-N 3.31Å; K769-A771 PolarHBondContact O-N 3.41Å; A771-G775 PolarHBondContact O-N 3.36Å
772	V	53.9	Low	57.4	Low	88 Å²	88	91.6 Å²	91.6	53%	0.533	47%	0.474	S	S	.	.	H	α-helix	trans	-70.9	-40.2	175.7	173	0	0	0	0	111.9	D768 K769 G775 K776	D768-V772 VanDerWaalsContact O-CG2 3.28Å; D768-V772 WeakPolarHBondContact O-CG2 3.45Å; D768-V772 PolarHBondContact O-N 2.97Å; K769-V772 PolarHBondContact O-N 3.23Å; V772-G775 PolarHBondContact O-N 3.28Å; V772-K776 WeakPolarHBondContact O-CG 3.39Å; V772-K776 PolarHBondContact O-N 3.05Å
773	E	51.9	Low	54.9	Low	129 Å²	129	97 Å²	97	60%	0.603	50%	0.504	S	S	*	.	H	α-helix	trans	-67.1	-46.2	176.3	-75.3	174.3	177.2	0	0	111.7	K769 G775 K776 D777	K769-E773 PolarHBondContact O-N 3.48Å; E773-G775 VanDerWaalsContact C-N 3.3Å; E773-G775 PolarHBondContact O-N 3.41Å; E773-K776 PolarHBondContact O-N 3.42Å; E773-K776 VanDerWaalsContact O-N 3.12Å; E773-D777 PolarHBondContact O-N 3.03Å
774	N	50.6	Low	52.7	Low	105 Å²	105	105.4 Å²	105.4	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-64.8	-33	174.5	-70.9	-29.4	0	0	0	112.4	S770 K776 D777 V778	S770-N774 VanDerWaalsContact O-CB 3.3Å; S770-N774 WeakPolarHBondContact O-CB 3.33Å; S770-N774 PolarHBondContact O-N 3.12Å; S770-N774 PolarHBondContact O-ND2 3.02Å; S770-N774 VanDerWaalsContact O-ND2 3.08Å; N774-K776 VanDerWaalsContact C-N 3.33Å; N774-D777 PolarHBondContact O-N 3.29Å; N774-V778 VanDerWaalsContact O-CG2 3.32Å; N774-V778 WeakPolarHBondContact O-CG2 3.31Å; N774-V778 PolarHBondContact O-N 3.37Å; N774-V778 VanDerWaalsContact O-N 3.13Å
775	G	48.3	Very low	51.1	Low	37 Å²	37	108.7 Å²	108.7	38%	0.381	55%	0.554	S	S	.	*	H	α-helix	trans	-68.2	-29.1	173.6	0	0	0	0	0	113.6	A771 V772 E773 H779	A771-G775 PolarHBondContact O-N 3.36Å; V772-G775 PolarHBondContact O-N 3.28Å; E773-G775 VanDerWaalsContact C-N 3.3Å; E773-G775 PolarHBondContact O-N 3.41Å; G775-H779 PolarHBondContact O-N 3.26Å
776	K	49.8	Very low	50	Low	137 Å²	137	112.1 Å²	112.1	60%	0.596	58%	0.575	S	S	*	*	H	α-helix	trans	-75.9	-36.7	173.2	-76	178.6	178.2	-177.5	0	112.3	V772 E773 N774 H779 L780	V772-K776 WeakPolarHBondContact O-CG 3.39Å; V772-K776 PolarHBondContact O-N 3.05Å; E773-K776 PolarHBondContact O-N 3.42Å; E773-K776 VanDerWaalsContact O-N 3.12Å; N774-K776 VanDerWaalsContact C-N 3.33Å; K776-H779 PolarHBondContact O-N 3.11Å; K776-L780 PolarHBondContact O-N 3.02Å
777	D	47.3	Very low	48.6	Very low	99 Å²	99	120.1 Å²	120.1	53%	0.529	62%	0.615	S	S	.	*	H	α-helix	trans	-67.6	-37.2	175.2	-85.5	-22	0	0	0	112.6	E773 N774 H779 L780 E781	E773-D777 PolarHBondContact O-N 3.03Å; N774-D777 PolarHBondContact O-N 3.29Å; D777-H779 VanDerWaalsContact C-N 3.29Å; D777-H779 PolarHBondContact O-N 3.41Å; D777-L780 PolarHBondContact O-N 3.49Å; D777-E781 PolarHBondContact O-N 3.14Å
778	V	47.1	Very low	47.9	Very low	87 Å²	87	120.5 Å²	120.5	53%	0.527	62%	0.621	S	S	.	*	H	α-helix	trans	-65.9	-32.5	173.1	175.2	0	0	0	0	111.8	N774 N782	N774-V778 VanDerWaalsContact O-CG2 3.32Å; N774-V778 WeakPolarHBondContact O-CG2 3.31Å; N774-V778 PolarHBondContact O-N 3.37Å; N774-V778 VanDerWaalsContact O-N 3.13Å; V778-N782 PolarHBondContact O-N 3.01Å
779	H	43.5	Very low	47.2	Very low	134 Å²	134	121.3 Å²	121.3	62%	0.62	63%	0.625	S	S	*	*	H	α-helix	trans	-74	-30.4	173.5	-106.5	-56.4	0	0	0	113.3	G775 K776 D777 N783	G775-H779 PolarHBondContact O-N 3.26Å; K776-H779 PolarHBondContact O-N 3.11Å; D777-H779 VanDerWaalsContact C-N 3.29Å; D777-H779 PolarHBondContact O-N 3.41Å; H779-N783 PolarHBondContact O-N 2.98Å
780	L	46.2	Very low	46.7	Very low	109 Å²	109	120.3 Å²	120.3	57%	0.571	63%	0.626	S	S	*	*	H	α-helix	trans	-75.4	-32.6	175.1	-80.4	157.6	0	0	0	112.7	K776 D777 K784	K776-L780 PolarHBondContact O-N 3.02Å; D777-L780 PolarHBondContact O-N 3.49Å; L780-K784 PolarHBondContact O-N 3.14Å
781	E	41.1	Very low	46.1	Very low	149 Å²	149	124.4 Å²	124.4	70%	0.696	64%	0.641	S	S	*	*	H	α-helix	trans	-70.4	-35.8	171.9	-83.2	-168.4	151.6	0	0	112.8	D777 N783 K784	D777-E781 PolarHBondContact O-N 3.14Å; E781-N783 VanDerWaalsContact C-N 3.35Å; E781-N783 PolarHBondContact O-N 2.91Å; E781-K784 PolarHBondContact O-N 3.05Å
782	N	41.4	Very low	45.7	Very low	100 Å²	100	128.1 Å²	128.1	54%	0.535	65%	0.648	S	S	.	*	H	α-helix	trans	-71	-27.3	176.1	-84.7	-18	0	0	0	113.4	V778	V778-N782 PolarHBondContact O-N 3.01Å
783	N	42.3	Very low	45.1	Very low	122 Å²	122	130.8 Å²	130.8	65%	0.652	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-9.3	175.4	-89	-6	0	0	0	114.5	H779 E781	H779-N783 PolarHBondContact O-N 2.98Å; E781-N783 VanDerWaalsContact C-N 3.35Å; E781-N783 PolarHBondContact O-N 2.91Å
784	K	45	Very low	44.6	Very low	186 Å²	186	130.9 Å²	130.9	81%	0.809	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-6	171.3	-86.1	-175.2	176.9	177.8	0	114.2	L780 E781	L780-K784 PolarHBondContact O-N 3.14Å; E781-K784 PolarHBondContact O-N 3.05Å
785	K	44.7	Very low	44.2	Very low	179 Å²	179	132.9 Å²	132.9	78%	0.778	67%	0.667	S	S	*	*	S	Bend	trans	-96.2	-3.7	175	-95.1	-179.3	176.1	175.9	0	114.4
786	N	41.4	Very low	43.8	Very low	146 Å²	146	140.9 Å²	140.9	78%	0.781	69%	0.691	S	S	*	*			trans	-124.6	47.2	176.5	-77.8	-14.2	0	0	0	111.8
787	M	36	Very low	43.3	Very low	243 Å²	243	141.3 Å²	141.3	100%	1.197	70%	0.7	S	S	*	*			trans	-133.3	0	156.9	-102.3	-170.2	81	0	0	109.7

Retrieved 787 of 787 residues in 1287.1 ms (Link to these results)

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