A0A3Q0KNN8_SCHMA Loading...

Putative lim/homeobox protein Awh (Protein arrowhead)

AlphaFold DB , UniProt , Accession A0A3Q0KNN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 675 aa.

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(Predicted Aligned Error values between residue pairs)

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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	25.5	Very low	36.1	Very low	121 Å²	121	104.8 Å²	104.8	60%	0.596	54%	0.538	S	S	*	.				0	98.3	0	-69.2	-179	74.5	0	0	106.8	F54 N55 T674	M1-F54 PolarHBondContact N-O 3.14Å; M1-F54 VanDerWaalsContact N-O 3.15Å; M1-N55 PolarHBondContact O-OD1 3.4Å; M1-T674 WeakPolarHBondContact CA-OG1 3.17Å; M1-T674 PolarHBondContact N-OG1 2.66Å
2	L	27.7	Very low	36.8	Very low	66 Å²	66	105.3 Å²	105.3	35%	0.346	53%	0.534	S	S	.	.			trans	-150	56.9	-162.4	-73.6	-179.4	0	0	0	113.3	K7 L14 T674	L2-K7 HydrophobicContact CB-CD 4.02Å; L2-K7 VanDerWaalsContact O-CD 3.24Å; L2-K7 WeakPolarHBondContact O-CD 3.32Å; L2-K7 PolarHBondContact O-NZ 2.78Å; L2-L14 HydrophobicContact CD1-CD1 4.29Å; L2-T674 CarbonylContact C-O 3.44Å; L2-T674 PolarHBondContact N-O 2.77Å; L2-T674 PolarHBondContact N-OG1 2.93Å
3	S	27.7	Very low	37.5	Very low	74 Å²	74	108.5 Å²	108.5	52%	0.517	55%	0.545	S	S	.	.			trans	-44.9	150.5	162.4	70.7	0	0	0	0	114.3	K7 N675	S3-K7 WeakPolarHBondContact O-CE 3.42Å; S3-K7 PolarHBondContact O-NZ 3Å; S3-N675 WeakPolarHBondContact CA-OXT 3.41Å; S3-N675 WeakPolarHBondContact CB-OXT 3.42Å; S3-N675 PolarHBondContact N-O 3.34Å; S3-N675 VanDerWaalsContact N-O 3.17Å
4	G	32.2	Very low	38.3	Very low	47 Å²	47	105.9 Å²	105.9	49%	0.485	53%	0.533	S	S	.	.	S	Bend	trans	115.7	134.8	171.6	0	0	0	0	0	114.7	D6	G4-D6 VanDerWaalsContact C-N 3.29Å; G4-D6 PolarHBondContact O-N 2.8Å
5	E	38	Very low	39.3	Very low	201 Å²	201	103.2 Å²	103.2	94%	0.939	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-17.1	-170.9	-59.6	-173.8	113.6	0	0	113.7	K7	E5-K7 PolarHBondContact O-N 3.27Å
6	D	39.3	Very low	40.3	Very low	128 Å²	128	101.3 Å²	101.3	68%	0.684	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-5.5	178.2	-49.4	-65.8	0	0	0	114.4	G4 K8	G4-D6 VanDerWaalsContact C-N 3.29Å; G4-D6 PolarHBondContact O-N 2.8Å; D6-K8 PolarHBondContact O-N 3.15Å
7	K	41	Very low	40.9	Very low	58 Å²	58	101.1 Å²	101.1	25%	0.252	52%	0.515	S	S	.	.	H	α-helix	trans	-92.5	8.7	-160.8	-67.2	-179.4	174	167.1	0	115.8	L2 S3 E5 Q9 N10 F11	L2-K7 HydrophobicContact CB-CD 4.02Å; L2-K7 VanDerWaalsContact O-CD 3.24Å; L2-K7 WeakPolarHBondContact O-CD 3.32Å; L2-K7 PolarHBondContact O-NZ 2.78Å; S3-K7 WeakPolarHBondContact O-CE 3.42Å; S3-K7 PolarHBondContact O-NZ 3Å; E5-K7 PolarHBondContact O-N 3.27Å; K7-Q9 PolarHBondContact O-N 3.02Å; K7-N10 HydrophobicContact CB-CB 4.06Å; K7-N10 HydrophobicContact CG-CB 3.96Å; K7-N10 PolarHBondContact O-N 3.27Å; K7-F11 WeakPolarHBondContact O-CB 3.44Å; K7-F11 PolarHBondContact O-N 3.07Å
8	K	40.2	Very low	41.9	Very low	183 Å²	183	102.9 Å²	102.9	80%	0.796	53%	0.526	S	S	*	.	H	α-helix	trans	-59.2	-22.7	160.5	-105.2	-177.3	177.7	177.3	0	113	D6 K12	D6-K8 PolarHBondContact O-N 3.15Å; K8-K12 WeakPolarHBondContact O-CD 3.48Å; K8-K12 WeakPolarHBondContact O-CG 3.44Å
9	Q	41.2	Very low	43.1	Very low	138 Å²	138	100.4 Å²	100.4	65%	0.645	51%	0.513	S	S	*	.	H	α-helix	trans	-86	-49.8	170.2	-74.5	168.3	-43.1	0	0	111.7	K7 F11 K12 E13	K7-Q9 PolarHBondContact O-N 3.02Å; Q9-F11 VanDerWaalsContact C-N 3.27Å; Q9-F11 PolarHBondContact O-N 2.92Å; Q9-K12 WeakPolarHBondContact O-CA 3.28Å; Q9-K12 WeakPolarHBondContact O-CB 3.47Å; Q9-K12 PolarHBondContact O-N 3.43Å; Q9-E13 PolarHBondContact O-N 2.73Å; Q9-E13 VanDerWaalsContact O-N 3.09Å
10	N	41.4	Very low	44.6	Very low	62 Å²	62	101 Å²	101	33%	0.332	51%	0.514	S	S	.	.	H	α-helix	trans	-59.5	-33.4	-179.1	-82.7	-117.5	0	0	0	113.2	K7 E13 L14	K7-N10 HydrophobicContact CB-CB 4.06Å; K7-N10 HydrophobicContact CG-CB 3.96Å; K7-N10 PolarHBondContact O-N 3.27Å; N10-E13 PolarHBondContact O-N 2.98Å; N10-L14 PolarHBondContact O-N 2.8Å; N10-L14 VanDerWaalsContact O-N 3.09Å
11	F	43.2	Very low	46.2	Very low	75 Å²	75	96.2 Å²	96.2	33%	0.329	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-38.4	174.3	-155.4	-85.4	0	0	0	111.4	K7 Q9 E13 L14 F15 L33	K7-F11 WeakPolarHBondContact O-CB 3.44Å; K7-F11 PolarHBondContact O-N 3.07Å; Q9-F11 VanDerWaalsContact C-N 3.27Å; Q9-F11 PolarHBondContact O-N 2.92Å; F11-E13 VanDerWaalsContact C-N 3.29Å; F11-E13 PolarHBondContact O-N 3.49Å; F11-L14 PolarHBondContact O-N 3.41Å; F11-F15 HydrophobicContact CD1-CB 4.1Å; F11-F15 HydrophobicContact CD1-CD2 4.02Å; F11-F15 HydrophobicContact CD2-CD2 4.3Å; F11-F15 HydrophobicContact CE1-CB 3.99Å; F11-F15 AromaticContact CE1-CD2 3.7Å; F11-F15 HydrophobicContact CE1-CD2 3.7Å; F11-F15 HydrophobicContact CE1-CG 4.13Å; F11-F15 HydrophobicContact CE2-CD2 4Å; F11-F15 HydrophobicContact CE2-CE2 4.23Å; F11-F15 HydrophobicContact CG-CD2 4.32Å; F11-F15 AromaticContact CZ-CD2 3.69Å; F11-F15 HydrophobicContact CZ-CD2 3.69Å; F11-F15 HydrophobicContact CZ-CE2 4.13Å; F11-F15 HydrophobicContact CZ-CG 4.45Å; F11-F15 CarbonylContact O-C 3.6Å; F11-F15 WeakPolarHBondContact O-CA 3.42Å; F11-F15 WeakPolarHBondContact O-CB 3.19Å; F11-F15 PolarHBondContact O-N 3.14Å; F11-L33 HydrophobicContact CZ-CD1 3.98Å
12	K	44.5	Very low	48.7	Very low	111 Å²	111	93.9 Å²	93.9	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-68.4	-25.2	175	-66.1	172.3	178.2	-96.9	0	113.3	K8 Q9 F15 N17	K8-K12 WeakPolarHBondContact O-CD 3.48Å; K8-K12 WeakPolarHBondContact O-CG 3.44Å; Q9-K12 WeakPolarHBondContact O-CA 3.28Å; Q9-K12 WeakPolarHBondContact O-CB 3.47Å; Q9-K12 PolarHBondContact O-N 3.43Å; K12-F15 WeakPolarHBondContact CA-O 3.27Å; K12-F15 CarbonylContact O-C 3.53Å; K12-N17 WeakPolarHBondContact CD-OD1 3.42Å; K12-N17 WeakPolarHBondContact CG-OD1 3.21Å; K12-N17 PolarHBondContact NZ-OD1 3.03Å
13	E	45.3	Very low	50.9	Low	147 Å²	147	92.7 Å²	92.7	69%	0.687	48%	0.479	S	S	*	.	H	α-helix	trans	-80.3	-33.2	176.2	-69.1	172.4	176.3	0	0	112.7	Q9 N10 F11	Q9-E13 PolarHBondContact O-N 2.73Å; Q9-E13 VanDerWaalsContact O-N 3.09Å; N10-E13 PolarHBondContact O-N 2.98Å; F11-E13 VanDerWaalsContact C-N 3.29Å; F11-E13 PolarHBondContact O-N 3.49Å
14	L	49.2	Very low	53.5	Low	71 Å²	71	91.1 Å²	91.1	37%	0.372	47%	0.468	S	S	.	.	H	α-helix	trans	-82.8	-32.1	173.7	-69.8	169.1	0	0	0	112.6	L2 N10 F11 I60	L2-L14 HydrophobicContact CD1-CD1 4.29Å; N10-L14 PolarHBondContact O-N 2.8Å; N10-L14 VanDerWaalsContact O-N 3.09Å; F11-L14 PolarHBondContact O-N 3.41Å; L14-I60 WeakPolarHBondContact O-CD1 3.33Å
15	F	53.1	Low	55.7	Low	66 Å²	66	93.2 Å²	93.2	29%	0.289	47%	0.468	S	S	.	.	S	Bend	trans	-136.9	93.7	-174.1	-63.4	-67	0	0	0	108.5	F11 K12 L19 I69	F11-F15 HydrophobicContact CD1-CB 4.1Å; F11-F15 HydrophobicContact CD1-CD2 4.02Å; F11-F15 HydrophobicContact CD2-CD2 4.3Å; F11-F15 HydrophobicContact CE1-CB 3.99Å; F11-F15 AromaticContact CE1-CD2 3.7Å; F11-F15 HydrophobicContact CE1-CD2 3.7Å; F11-F15 HydrophobicContact CE1-CG 4.13Å; F11-F15 HydrophobicContact CE2-CD2 4Å; F11-F15 HydrophobicContact CE2-CE2 4.23Å; F11-F15 HydrophobicContact CG-CD2 4.32Å; F11-F15 AromaticContact CZ-CD2 3.69Å; F11-F15 HydrophobicContact CZ-CD2 3.69Å; F11-F15 HydrophobicContact CZ-CE2 4.13Å; F11-F15 HydrophobicContact CZ-CG 4.45Å; F11-F15 CarbonylContact O-C 3.6Å; F11-F15 WeakPolarHBondContact O-CA 3.42Å; F11-F15 WeakPolarHBondContact O-CB 3.19Å; F11-F15 PolarHBondContact O-N 3.14Å; K12-F15 WeakPolarHBondContact CA-O 3.27Å; K12-F15 CarbonylContact O-C 3.53Å; F15-L19 HydrophobicContact CB-CD1 3.55Å; F15-L19 HydrophobicContact CD1-CD1 3.74Å; F15-L19 HydrophobicContact CG-CD1 4.11Å; F15-I69 HydrophobicContact CE1-CD1 4.49Å
16	P	54.7	Low	57.6	Low	72 Å²	72	89.7 Å²	89.7	47%	0.468	45%	0.451	S	S	.	.			trans	-58.6	153.6	-179.4	23.8	-33.3	0	0	0	111.7	D18 L19	P16-D18 PolarHBondContact O-N 2.96Å; P16-L19 PolarHBondContact O-N 2.9Å
17	N	50.9	Low	59.4	Low	99 Å²	99	86.7 Å²	86.7	53%	0.529	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-9.6	-166.2	-53.4	-87.1	0	0	0	115.5	K12 L19	K12-N17 WeakPolarHBondContact CD-OD1 3.42Å; K12-N17 WeakPolarHBondContact CG-OD1 3.21Å; K12-N17 PolarHBondContact NZ-OD1 3.03Å; N17-L19 VanDerWaalsContact C-N 3.33Å
18	D	58.3	Low	60.7	Low	134 Å²	134	85 Å²	85	72%	0.717	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	0.8	-172.8	-43.4	-63.6	0	0	0	113	P16 Q20	P16-D18 PolarHBondContact O-N 2.96Å; D18-Q20 PolarHBondContact O-N 3.35Å; D18-Q20 VanDerWaalsContact O-N 3.14Å
19	L	64.7	Low	62	Low	54 Å²	54	82.9 Å²	82.9	28%	0.283	43%	0.43	S	S	.	.			trans	-71.4	107.2	179.3	-79.5	161.4	0	0	0	111.7	F15 P16 N17 I28 I69	F15-L19 HydrophobicContact CB-CD1 3.55Å; F15-L19 HydrophobicContact CD1-CD1 3.74Å; F15-L19 HydrophobicContact CG-CD1 4.11Å; P16-L19 PolarHBondContact O-N 2.9Å; N17-L19 VanDerWaalsContact C-N 3.33Å; L19-I28 HydrophobicContact CB-CD1 4.29Å; L19-I28 WeakPolarHBondContact O-CB 3.42Å; L19-I28 PolarHBondContact O-N 3.49Å; L19-I69 HydrophobicContact CD1-CD1 4.44Å; L19-I69 HydrophobicContact CD2-CD1 4.03Å
20	Q	73.7	Confident	63	Low	113 Å²	113	79.3 Å²	79.3	53%	0.528	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-95.7	141.9	174.1	-65.2	173.1	1.9	0	0	110.5	D18 K22 N25 H26	D18-Q20 PolarHBondContact O-N 3.35Å; D18-Q20 VanDerWaalsContact O-N 3.14Å; Q20-K22 PolarHBondContact O-N 3.11Å; Q20-N25 WeakPolarHBondContact CG-O 3.44Å; Q20-H26 WeakPolarHBondContact CA-O 3.45Å
21	C	77.6	Confident	63.9	Low	0 Å²	0	86.4 Å²	86.4	0%	0	44%	0.437	C	S	.	.			trans	-65.7	121.1	169.1	166.3	0	0	0	0	109.4	G23 C24 N25 H26 I28 I69 H71 C74	C21-G23 PolarHBondContact O-N 3.05Å; C21-G23 VanDerWaalsContact O-N 3.15Å; C21-G23 PolarHBondContact SG-N 3.5Å; C21-C24 PolarHBondContact O-N 3Å; C21-N25 VanDerWaalsContact O-CA 3.24Å; C21-N25 WeakPolarHBondContact O-CA 3.34Å; C21-N25 PolarHBondContact O-N 3.5Å; C21-H26 PolarHBondContact N-O 3.33Å; C21-I28 HydrophobicContact CB-CG1 4.19Å; C21-I69 WeakPolarHBondContact CA-O 3.3Å; C21-H71 WeakPolarHBondContact CB-CE1 3.49Å; C21-H71 WeakPolarHBondContact CB-ND1 3.37Å; C21-H71 PolarHBondContact SG-N 3.49Å; C21-H71 PolarHBondContact SG-ND1 2.97Å; C21-C74 VanDerWaalsContact SG-CB 3.57Å
22	K	77.7	Confident	64.7	Low	73 Å²	73	85.7 Å²	85.7	32%	0.317	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.1	-177.5	-73.4	-64.6	-128.3	150.8	0	113.6	Q20 E68 I69 Y70 N97	Q20-K22 PolarHBondContact O-N 3.11Å; K22-E68 HydrophobicContact CG-CB 4.01Å; K22-E68 HydrophobicContact CG-CG 4.2Å; K22-I69 PolarHBondContact N-O 3.4Å; K22-Y70 HydrophobicContact CB-CD1 4.27Å; K22-Y70 HydrophobicContact CB-CD2 4.5Å; K22-Y70 HydrophobicContact CB-CE1 3.65Å; K22-Y70 HydrophobicContact CB-CE2 3.92Å; K22-Y70 VanDerWaalsContact CB-CZ 3.44Å; K22-N97 WeakPolarHBondContact CD-OD1 3.31Å; K22-N97 WeakPolarHBondContact CE-OD1 3.03Å; K22-N97 PolarHBondContact NZ-OD1 3.2Å; K22-N97 VanDerWaalsContact O-CB 3.29Å; K22-N97 WeakPolarHBondContact O-CB 3.42Å; K22-N97 VanDerWaalsContact O-CG 3.3Å; K22-N97 PolarHBondContact O-ND2 3.31Å
23	G	74.7	Confident	65.9	Low	40 Å²	40	80.6 Å²	80.6	41%	0.412	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.4	179.6	0	0	0	0	0	115.3	C21 Y70	C21-G23 PolarHBondContact O-N 3.05Å; C21-G23 VanDerWaalsContact O-N 3.15Å; C21-G23 PolarHBondContact SG-N 3.5Å; G23-Y70 VanDerWaalsContact N-CE1 3.31Å
24	C	82.1	Confident	67	Low	41 Å²	41	74 Å²	74	28%	0.277	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-2.8	-175.2	68.4	0	0	0	0	114.8	C21 H26 H71	C21-C24 PolarHBondContact O-N 3Å; C24-H26 PolarHBondContact O-N 2.83Å; C24-H71 PolarHBondContact SG-CE1 2.98Å; C24-H71 PolarHBondContact SG-ND1 2.97Å
25	N	79.7	Confident	67.8	Low	91 Å²	91	71.7 Å²	71.7	49%	0.487	37%	0.372	S	S	.	.			trans	57.1	4.8	-174.8	-57.5	-25.6	0	0	0	116.1	Q20 C21 N97	Q20-N25 WeakPolarHBondContact CG-O 3.44Å; C21-N25 VanDerWaalsContact O-CA 3.24Å; C21-N25 WeakPolarHBondContact O-CA 3.34Å; C21-N25 PolarHBondContact O-N 3.5Å; N25-N97 PolarHBondContact OD1-ND2 2.88Å
26	H	77.9	Confident	68.6	Low	127 Å²	127	68.8 Å²	68.8	59%	0.588	36%	0.36	S	S	*	.			trans	-75	150.5	172.1	-71	-60.4	0	0	0	112	Q20 C21 C24	Q20-H26 WeakPolarHBondContact CA-O 3.45Å; C21-H26 PolarHBondContact N-O 3.33Å; C24-H26 PolarHBondContact O-N 2.83Å
27	P	75.5	Confident	69.1	Low	65 Å²	65	68 Å²	68	42%	0.422	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-60.1	147.3	177.7	24.9	-34.8	0	0	0	112.5	N29 H71	P27-N29 PolarHBondContact O-N 3.48Å; P27-H71 PolarHBondContact O-NE2 3.2Å
28	I	69.4	Low	69.7	Low	23 Å²	23	66.4 Å²	66.4	12%	0.118	34%	0.34	C	S	.	.			trans	-79.2	102.1	179.6	-82.7	161.6	0	0	0	110.1	L19 C21 L33 I69	L19-I28 HydrophobicContact CB-CD1 4.29Å; L19-I28 WeakPolarHBondContact O-CB 3.42Å; L19-I28 PolarHBondContact O-N 3.49Å; C21-I28 HydrophobicContact CB-CG1 4.19Å; I28-L33 HydrophobicContact CB-CD2 4.3Å; I28-L33 HydrophobicContact CD1-CD2 4.4Å; I28-L33 HydrophobicContact CG1-CD2 3.95Å; I28-L33 HydrophobicContact CG2-CD1 3.34Å; I28-L33 HydrophobicContact CG2-CD2 3.57Å; I28-L33 HydrophobicContact CG2-CG 4.05Å; I28-I69 HydrophobicContact CD1-CB 3.67Å; I28-I69 HydrophobicContact CD1-CG2 3.56Å
29	N	66.5	Low	69.7	Low	138 Å²	138	63.8 Å²	63.8	74%	0.738	32%	0.322	S	S	*	.			trans	-114.1	-10	175.6	-67.7	-51.2	0	0	0	112.9	P27	P27-N29 PolarHBondContact O-N 3.48Å
30	D	62.7	Low	69.3	Low	63 Å²	63	64.3 Å²	64.3	34%	0.337	33%	0.325	S	S	.	.			trans	-65.9	142.6	-179.9	-71.1	-4.4	0	0	0	110.8	I32 L33 H71	D30-I32 VanDerWaalsContact C-N 3.26Å; D30-I32 WeakPolarHBondContact CB-O 3.45Å; D30-I32 PolarHBondContact O-N 3.42Å; D30-L33 HydrophobicContact CB-CD2 4.04Å; D30-H71 IonicContact OD1-CD2 2.61Å; D30-H71 VanDerWaalsContact OD2-CB 3.28Å; D30-H71 WeakPolarHBondContact OD2-CB 3.4Å; D30-H71 IonicContact OD2-CD2 3.19Å; D30-H71 PolarHBondContact OD2-CD2 3.24Å; D30-H71 VanDerWaalsContact OD2-CD2 3.23Å; D30-H71 IonicContact OD2-CG 2.61Å
31	R	60.4	Low	67.9	Low	211 Å²	211	67.8 Å²	67.8	80%	0.796	34%	0.338	S	S	*	.	S	Bend	trans	-61.1	-39.1	170.8	-70.1	-174.6	-176.4	-170.1	0.7	111.2	P673	R31-P673 HydrophobicContact CB-CG 4.02Å; R31-P673 WeakPolarHBondContact O-CD 2.93Å; R31-P673 WeakPolarHBondContact O-CG 3.08Å
32	I	60.3	Low	66.2	Low	60 Å²	60	72 Å²	72	31%	0.308	37%	0.368	S	S	.	.	S	Bend	trans	-118.9	131.5	-171.6	-52.8	175.1	0	0	0	109.4	D30 I72 I670 L672	D30-I32 VanDerWaalsContact C-N 3.26Å; D30-I32 WeakPolarHBondContact CB-O 3.45Å; D30-I32 PolarHBondContact O-N 3.42Å; I32-I72 HydrophobicContact CB-CD1 3.78Å; I32-I72 HydrophobicContact CG2-CD1 3.72Å; I32-I72 HydrophobicContact CG2-CG1 4.33Å; I32-I670 HydrophobicContact CG2-CG2 3.31Å; I32-L672 HydrophobicContact CB-CD2 4.46Å; I32-L672 HydrophobicContact CD1-CD2 3.83Å; I32-L672 HydrophobicContact CG1-CD2 3.89Å; I32-L672 HydrophobicContact CG2-CD2 3.79Å
33	L	69.3	Low	64.6	Low	5 Å²	5	71.4 Å²	71.4	3%	0.026	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.5	-171.4	-63	159.3	0	0	0	111.1	F11 I28 D30 I69 I670 A671	F11-L33 HydrophobicContact CZ-CD1 3.98Å; I28-L33 HydrophobicContact CB-CD2 4.3Å; I28-L33 HydrophobicContact CD1-CD2 4.4Å; I28-L33 HydrophobicContact CG1-CD2 3.95Å; I28-L33 HydrophobicContact CG2-CD1 3.34Å; I28-L33 HydrophobicContact CG2-CD2 3.57Å; I28-L33 HydrophobicContact CG2-CG 4.05Å; D30-L33 HydrophobicContact CB-CD2 4.04Å; L33-I69 HydrophobicContact CB-CG2 3.89Å; L33-I69 HydrophobicContact CD1-CG2 4.33Å; L33-I69 HydrophobicContact CD2-CG2 4.26Å; L33-I69 HydrophobicContact CG-CG2 4.39Å; L33-I670 WeakPolarHBondContact O-CA 3.43Å; L33-A671 HydrophobicContact CB-CB 4.34Å; L33-A671 PolarHBondContact N-O 3.48Å; L33-A671 PolarHBondContact O-N 3.25Å
34	I	67.6	Low	62.9	Low	8 Å²	8	71 Å²	71	4%	0.041	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121	174.3	-62.6	175.6	0	0	0	108.8	I69 Y70 F75 P668	I34-I69 CarbonylContact O-C 3.56Å; I34-I69 WeakPolarHBondContact O-CA 3.33Å; I34-Y70 PolarHBondContact N-O 2.98Å; I34-Y70 PolarHBondContact O-N 2.65Å; I34-F75 HydrophobicContact CB-CD1 4.37Å; I34-F75 HydrophobicContact CB-CD2 4.31Å; I34-F75 HydrophobicContact CB-CG 4.15Å; I34-F75 HydrophobicContact CD1-CB 3.74Å; I34-F75 HydrophobicContact CD1-CD1 3.47Å; I34-F75 VanDerWaalsContact CD1-CD1 3.47Å; I34-F75 HydrophobicContact CD1-CE1 4.32Å; I34-F75 HydrophobicContact CD1-CG 3.72Å; I34-F75 HydrophobicContact CG1-CD1 4.48Å; I34-F75 HydrophobicContact CG2-CD1 3.81Å; I34-F75 HydrophobicContact CG2-CD2 3.84Å; I34-F75 HydrophobicContact CG2-CE1 3.81Å; I34-F75 HydrophobicContact CG2-CE2 3.81Å; I34-F75 HydrophobicContact CG2-CG 3.86Å; I34-F75 HydrophobicContact CG2-CZ 3.83Å; I34-P668 HydrophobicContact CG2-CB 3.68Å
35	V	67.5	Low	60.8	Low	23 Å²	23	74.6 Å²	74.6	14%	0.139	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.3	-179.4	-177.6	0	0	0	0	108.6	I37 E68 I69 A669 A671	V35-I37 HydrophobicContact CG1-CG1 4.44Å; V35-E68 CarbonylContact C-O 3.59Å; V35-E68 WeakPolarHBondContact CA-O 3.39Å; V35-I69 HydrophobicContact CG2-CG1 4.32Å; V35-I69 HydrophobicContact CG2-CG2 4.27Å; V35-A669 PolarHBondContact N-O 3.38Å; V35-A669 PolarHBondContact O-N 3.24Å; V35-A671 HydrophobicContact CG2-CB 3.94Å
36	L	68.9	Low	59.1	Low	4 Å²	4	78 Å²	78	2%	0.021	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.2	176.3	-72.2	-171.6	0	0	0	111.2	S67 E68 Y70 F75 C91 I93 I99 Y666	L36-S67 WeakPolarHBondContact O-CB 3.3Å; L36-S67 PolarHBondContact O-OG 3.18Å; L36-S67 VanDerWaalsContact O-OG 3.14Å; L36-E68 HydrophobicContact CB-CB 4.27Å; L36-E68 HydrophobicContact CD1-CB 4.35Å; L36-E68 PolarHBondContact N-O 2.81Å; L36-Y70 HydrophobicContact CD1-CD2 4.43Å; L36-Y70 HydrophobicContact CD1-CE2 3.68Å; L36-Y70 HydrophobicContact CG-CD2 4.36Å; L36-Y70 HydrophobicContact CG-CE2 4.05Å; L36-F75 HydrophobicContact CD1-CE2 4.34Å; L36-F75 HydrophobicContact CD2-CE2 3.53Å; L36-F75 HydrophobicContact CD2-CZ 3.61Å; L36-F75 HydrophobicContact CG-CE2 4.04Å; L36-C91 WeakPolarHBondContact CD2-SG 3.28Å; L36-I93 HydrophobicContact CD1-CD1 3.7Å; L36-I93 HydrophobicContact CD1-CG1 3.66Å; L36-I99 HydrophobicContact CD1-CG1 4.4Å; L36-Y666 HydrophobicContact CB-CD1 4.21Å
37	I	65	Low	57.6	Low	57 Å²	57	75.5 Å²	75.5	29%	0.292	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.2	175.7	-54.6	-178.8	0	0	0	108.9	V35 Y666 F667 A669	V35-I37 HydrophobicContact CG1-CG1 4.44Å; I37-Y666 WeakPolarHBondContact O-CA 3.45Å; I37-F667 PolarHBondContact N-O 3.17Å; I37-F667 VanDerWaalsContact N-O 3.1Å; I37-F667 PolarHBondContact O-N 3.25Å; I37-A669 HydrophobicContact CD1-CB 3.73Å; I37-A669 HydrophobicContact CG1-CB 4.23Å
38	K	64.7	Low	55.8	Low	65 Å²	65	78 Å²	78	28%	0.283	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	133.4	174.3	-176.6	175.6	172.7	-106.3	0	110.1	D40 Y666	K38-D40 VanDerWaalsContact C-N 3.26Å; K38-D40 IonicContact NZ-OD1 3.54Å; K38-D40 PolarHBondContact NZ-OD1 2.79Å; K38-D40 IonicContact NZ-OD2 3.48Å; K38-D40 PolarHBondContact NZ-OD2 2.84Å; K38-D40 PolarHBondContact O-N 3.35Å; K38-Y666 HydrophobicContact CB-CD1 3.85Å; K38-Y666 HydrophobicContact CB-CE1 3.58Å; K38-Y666 HydrophobicContact CD-CE1 4.36Å; K38-Y666 HydrophobicContact CG-CE1 4.04Å
39	K	58.6	Low	54.3	Low	78 Å²	78	83.5 Å²	83.5	34%	0.339	41%	0.412	S	S	.	.			trans	-77.6	73.1	173.2	-157.1	-176.9	-164.2	175.2	0	112.4	K41 N44 F665 F667	K39-K41 PolarHBondContact O-N 2.75Å; K39-N44 VanDerWaalsContact CE-CG 3.41Å; K39-N44 WeakPolarHBondContact CE-OD1 3.41Å; K39-N44 WeakPolarHBondContact CG-OD1 3.44Å; K39-F665 HydrophobicContact CB-CD2 4.07Å; K39-F665 HydrophobicContact CB-CE1 4.44Å; K39-F665 HydrophobicContact CB-CE2 3.7Å; K39-F665 HydrophobicContact CB-CZ 3.9Å; K39-F665 HydrophobicContact CD-CE2 3.47Å; K39-F665 VanDerWaalsContact CD-CE2 3.47Å; K39-F665 HydrophobicContact CD-CZ 3.53Å; K39-F665 HydrophobicContact CG-CE2 4.16Å; K39-F665 HydrophobicContact CG-CZ 4.22Å; K39-F665 PolarHBondContact N-O 2.95Å; K39-F665 VanDerWaalsContact N-O 3.09Å; K39-F667 HydrophobicContact CB-CD2 4.37Å; K39-F667 HydrophobicContact CB-CE2 3.75Å; K39-F667 HydrophobicContact CD-CE2 3.74Å; K39-F667 HydrophobicContact CD-CZ 4.05Å; K39-F667 HydrophobicContact CG-CE2 3.8Å
40	D	54.8	Low	52.7	Low	65 Å²	65	83.7 Å²	83.7	35%	0.348	41%	0.409	S	S	.	.			trans	-71.3	122.8	161.8	-81.4	-43.4	0	0	0	109.7	K38 S42 I43	K38-D40 VanDerWaalsContact C-N 3.26Å; K38-D40 IonicContact NZ-OD1 3.54Å; K38-D40 PolarHBondContact NZ-OD1 2.79Å; K38-D40 IonicContact NZ-OD2 3.48Å; K38-D40 PolarHBondContact NZ-OD2 2.84Å; K38-D40 PolarHBondContact O-N 3.35Å; D40-S42 PolarHBondContact O-N 3.37Å; D40-I43 HydrophobicContact CB-CD1 3.95Å; D40-I43 HydrophobicContact CB-CG1 4.13Å; D40-I43 PolarHBondContact O-N 3.1Å
41	K	45.2	Very low	51.4	Low	186 Å²	186	86 Å²	86	81%	0.809	43%	0.43	S	S	*	.	H	α-helix	trans	-56.1	-29.5	-169.4	-69.8	-174.8	177.4	-177.8	0	113.3	K39 I43	K39-K41 PolarHBondContact O-N 2.75Å; K41-I43 VanDerWaalsContact C-N 3.31Å; K41-I43 PolarHBondContact O-N 3.29Å
42	S	41.3	Very low	50.3	Low	89 Å²	89	80 Å²	80	62%	0.622	41%	0.413	S	S	*	.	H	α-helix	trans	-75.1	-9.1	179	52	0	0	0	0	115.5	D40	D40-S42 PolarHBondContact O-N 3.37Å
43	I	45.4	Very low	49	Very low	60 Å²	60	85.2 Å²	85.2	31%	0.308	43%	0.433	S	S	.	.	H	α-helix	trans	-94.7	-34.1	-177.4	-57.6	-176.9	0	0	0	111.3	D40 K41 D45 K46 I47	D40-I43 HydrophobicContact CB-CD1 3.95Å; D40-I43 HydrophobicContact CB-CG1 4.13Å; D40-I43 PolarHBondContact O-N 3.1Å; K41-I43 VanDerWaalsContact C-N 3.31Å; K41-I43 PolarHBondContact O-N 3.29Å; I43-D45 PolarHBondContact O-N 2.93Å; I43-K46 PolarHBondContact O-N 3.02Å; I43-K46 VanDerWaalsContact O-N 3.12Å; I43-I47 HydrophobicContact CG2-CD1 3.59Å; I43-I47 HydrophobicContact CG2-CG1 4Å; I43-I47 PolarHBondContact O-N 3.32Å; I43-I47 VanDerWaalsContact O-N 3.08Å
44	N	38.4	Very low	47.5	Very low	32 Å²	32	91.9 Å²	91.9	17%	0.171	46%	0.462	C	S	.	.	H	α-helix	trans	-64.3	-35.4	-174	-106.3	93.7	0	0	0	114.2	K39 K46 I47 N48	K39-N44 VanDerWaalsContact CE-CG 3.41Å; K39-N44 WeakPolarHBondContact CE-OD1 3.41Å; K39-N44 WeakPolarHBondContact CG-OD1 3.44Å; N44-K46 PolarHBondContact O-N 3.49Å; N44-I47 PolarHBondContact O-N 3.31Å; N44-N48 PolarHBondContact ND2-OD1 3.28Å; N44-N48 VanDerWaalsContact ND2-OD1 3.16Å; N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 PolarHBondContact O-N 3.23Å; N44-N48 PolarHBondContact O-OD1 2.72Å
45	D	38.7	Very low	45.6	Very low	117 Å²	117	95.7 Å²	95.7	63%	0.626	48%	0.482	S	S	*	.	H	α-helix	trans	-68.3	-16.5	179.6	-54.7	-27.1	0	0	0	112.5	I43 N49	I43-D45 PolarHBondContact O-N 2.93Å; D45-N49 PolarHBondContact O-ND2 3.38Å
46	K	42.8	Very low	44	Very low	161 Å²	161	103.5 Å²	103.5	70%	0.7	52%	0.515	S	S	*	.	H	α-helix	trans	-93.2	-38.4	172.6	-62.4	-174.4	177.3	-175.6	0	112.4	I43 N44	I43-K46 PolarHBondContact O-N 3.02Å; I43-K46 VanDerWaalsContact O-N 3.12Å; N44-K46 PolarHBondContact O-N 3.49Å
47	I	46.2	Very low	42.3	Very low	76 Å²	76	112.6 Å²	112.6	39%	0.39	56%	0.557	S	S	.	*	H	α-helix	trans	-69.3	-35.3	177.2	-69.3	-178.8	0	0	0	112	I43 N44	I43-I47 HydrophobicContact CG2-CD1 3.59Å; I43-I47 HydrophobicContact CG2-CG1 4Å; I43-I47 PolarHBondContact O-N 3.32Å; I43-I47 VanDerWaalsContact O-N 3.08Å; N44-I47 PolarHBondContact O-N 3.31Å
48	N	38.9	Very low	40.7	Very low	117 Å²	117	116.8 Å²	116.8	63%	0.626	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-19.6	-174.3	-73.7	19.3	0	0	0	114.3	N44	N44-N48 PolarHBondContact ND2-OD1 3.28Å; N44-N48 VanDerWaalsContact ND2-OD1 3.16Å; N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 PolarHBondContact O-N 3.23Å; N44-N48 PolarHBondContact O-OD1 2.72Å
49	N	37	Very low	39.1	Very low	138 Å²	138	123.1 Å²	123.1	74%	0.738	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-17.7	-174.7	-74.3	-54	0	0	0	114.1	D45	D45-N49 PolarHBondContact O-ND2 3.38Å
50	E	34	Very low	38.1	Very low	143 Å²	143	123.2 Å²	123.2	67%	0.668	61%	0.61	S	S	*	*			trans	-113.4	115.5	172.1	-68.4	-171.1	157.4	0	0	109.8	I52	E50-I52 VanDerWaalsContact C-N 3.26Å; E50-I52 WeakPolarHBondContact O-CG1 3.33Å; E50-I52 PolarHBondContact O-N 2.95Å
51	S	34.8	Very low	37.1	Very low	110 Å²	110	123.7 Å²	123.7	77%	0.769	62%	0.618	S	S	*	*			trans	-66.9	93.1	160.7	37.5	0	0	0	0	107.5	K53	S51-K53 VanDerWaalsContact C-N 3.3Å; S51-K53 PolarHBondContact O-N 3.38Å
52	I	37.5	Very low	36.8	Very low	87 Å²	87	119.2 Å²	119.2	45%	0.446	61%	0.611	S	S	.	*			trans	-61.6	90.9	-171.9	-56.1	-178	0	0	0	109.6	E50 F54	E50-I52 VanDerWaalsContact C-N 3.26Å; E50-I52 WeakPolarHBondContact O-CG1 3.33Å; E50-I52 PolarHBondContact O-N 2.95Å; I52-F54 HydrophobicContact CG2-CD2 4.28Å; I52-F54 PolarHBondContact O-N 2.94Å
53	K	31.9	Very low	36.7	Very low	169 Å²	169	120.6 Å²	120.6	74%	0.735	61%	0.611	S	S	*	*			trans	-60.8	102.3	166.6	-74.7	177.8	178.6	173.9	0	106.2	S51 N55	S51-K53 VanDerWaalsContact C-N 3.3Å; S51-K53 PolarHBondContact O-N 3.38Å; K53-N55 PolarHBondContact O-N 2.91Å
54	F	38.1	Very low	36.7	Very low	144 Å²	144	122.5 Å²	122.5	63%	0.632	62%	0.622	S	S	*	*			trans	-72.8	62.8	-174.4	-131	-81.1	0	0	0	110.7	M1 I52	M1-F54 PolarHBondContact N-O 3.14Å; M1-F54 VanDerWaalsContact N-O 3.15Å; I52-F54 HydrophobicContact CG2-CD2 4.28Å; I52-F54 PolarHBondContact O-N 2.94Å
55	N	28.9	Very low	36.9	Very low	88 Å²	88	127.7 Å²	127.7	47%	0.471	65%	0.649	S	S	.	*			trans	-157.4	130.9	-166.8	-92	-35.7	0	0	0	109.7	M1 K53	M1-N55 PolarHBondContact O-OD1 3.4Å; K53-N55 PolarHBondContact O-N 2.91Å
56	K	32.4	Very low	37.6	Very low	188 Å²	188	131.1 Å²	131.1	82%	0.817	66%	0.658	S	S	*	*	S	Bend	trans	71.3	98.1	-177.6	-56.6	-174.4	177.6	-176.2	0	116.5	L58	K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 3.1Å
57	Q	33.2	Very low	38.5	Very low	194 Å²	194	124.7 Å²	124.7	91%	0.907	63%	0.633	S	S	*	*			trans	57.5	25.2	137.4	-66.6	172.8	-51	0	0	119.1	K59	Q57-K59 PolarHBondContact O-N 2.94Å
58	L	32.1	Very low	39.7	Very low	146 Å²	146	122.9 Å²	122.9	76%	0.764	62%	0.623	S	S	*	*			trans	-65.8	106.3	155.4	-76.9	172.1	0	0	0	108.9	K56 I60	K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 3.1Å; L58-I60 PolarHBondContact O-N 3.15Å
59	K	31.4	Very low	41.5	Very low	198 Å²	198	118 Å²	118	86%	0.861	60%	0.597	S	S	*	*			trans	-48.6	129.5	160.1	-70.2	179.6	177.3	179.6	0	107.4	Q57 S61	Q57-K59 PolarHBondContact O-N 2.94Å; K59-S61 VanDerWaalsContact C-N 3.34Å; K59-S61 PolarHBondContact O-N 3.27Å
60	I	36.3	Very low	43.3	Very low	80 Å²	80	111.5 Å²	111.5	41%	0.41	56%	0.562	S	S	.	*			trans	-61.2	100.9	175.1	-59.3	175.5	0	0	0	107.1	L14 L58 L64	L14-I60 WeakPolarHBondContact O-CD1 3.33Å; L58-I60 PolarHBondContact O-N 3.15Å; I60-L64 HydrophobicContact CG2-CB 3.82Å; I60-L64 HydrophobicContact CG2-CD2 4.39Å
61	S	35.5	Very low	45.5	Very low	74 Å²	74	105.7 Å²	105.7	52%	0.517	54%	0.535	S	S	.	.			trans	-63.3	140.9	178	57	0	0	0	0	108.5	K59 N63 L64	K59-S61 VanDerWaalsContact C-N 3.34Å; K59-S61 PolarHBondContact O-N 3.27Å; S61-N63 PolarHBondContact O-N 3.25Å; S61-L64 PolarHBondContact O-N 3.28Å
62	S	38.2	Very low	47.3	Very low	93 Å²	93	102.7 Å²	102.7	65%	0.65	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-8.3	-170.3	44.2	0	0	0	0	115.2
63	N	39.6	Very low	49.2	Very low	118 Å²	118	105.3 Å²	105.3	63%	0.631	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-30.1	172.1	-62.4	-23.1	0	0	0	113.2	S61 L65 K66	S61-N63 PolarHBondContact O-N 3.25Å; N63-L65 VanDerWaalsContact C-N 3.31Å; N63-K66 PolarHBondContact O-N 3.41Å
64	L	44.2	Very low	51.5	Low	100 Å²	100	99.1 Å²	99.1	52%	0.524	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-73.5	-24.9	177.4	-130.3	76.7	0	0	0	112.3	I60 S61 K66 S67	I60-L64 HydrophobicContact CG2-CB 3.82Å; I60-L64 HydrophobicContact CG2-CD2 4.39Å; S61-L64 PolarHBondContact O-N 3.28Å; L64-K66 PolarHBondContact O-N 3Å; L64-K66 VanDerWaalsContact O-N 3.12Å; L64-S67 WeakPolarHBondContact O-CB 3.44Å; L64-S67 PolarHBondContact O-N 3.37Å
65	L	43.7	Very low	53.6	Low	141 Å²	141	92.3 Å²	92.3	74%	0.738	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-67.2	-2.5	172.9	-85.8	147.3	0	0	0	113.9	N63	N63-L65 VanDerWaalsContact C-N 3.31Å
66	K	51.8	Low	56.2	Low	188 Å²	188	90.8 Å²	90.8	82%	0.817	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-100.4	3.2	170.1	-74.8	-173.2	173.2	-179.7	0	114	N63 L64	N63-K66 PolarHBondContact O-N 3.41Å; L64-K66 PolarHBondContact O-N 3Å; L64-K66 VanDerWaalsContact O-N 3.12Å
67	S	62.6	Low	58.7	Low	26 Å²	26	81.9 Å²	81.9	18%	0.182	42%	0.421	C	S	.	.			trans	-82.7	124.7	176.5	-74.5	0	0	0	0	111.6	L36 L64	L36-S67 WeakPolarHBondContact O-CB 3.3Å; L36-S67 PolarHBondContact O-OG 3.18Å; L36-S67 VanDerWaalsContact O-OG 3.14Å; L64-S67 WeakPolarHBondContact O-CB 3.44Å; L64-S67 PolarHBondContact O-N 3.37Å
68	E	72.3	Confident	61.2	Low	38 Å²	38	77.9 Å²	77.9	18%	0.178	40%	0.4	C	S	.	.			trans	-74.6	144.5	171.7	-62.5	-167.1	152.8	0	0	110.8	K22 V35 L36 Y70 I93	K22-E68 HydrophobicContact CG-CB 4.01Å; K22-E68 HydrophobicContact CG-CG 4.2Å; V35-E68 CarbonylContact C-O 3.59Å; V35-E68 WeakPolarHBondContact CA-O 3.39Å; L36-E68 HydrophobicContact CB-CB 4.27Å; L36-E68 HydrophobicContact CD1-CB 4.35Å; L36-E68 PolarHBondContact N-O 2.81Å; E68-Y70 HydrophobicContact CB-CD2 4.48Å; E68-Y70 HydrophobicContact CB-CE2 3.7Å; E68-Y70 PolarHBondContact OE2-OH 3.18Å; E68-I93 WeakPolarHBondContact OE2-CD1 3.28Å
69	I	75.3	Confident	63.5	Low	15 Å²	15	73.5 Å²	73.5	8%	0.077	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.3	-179.3	-44.2	-174.2	0	0	0	110.1	F15 L19 C21 K22 I28 L33 I34 V35	F15-I69 HydrophobicContact CE1-CD1 4.49Å; L19-I69 HydrophobicContact CD1-CD1 4.44Å; L19-I69 HydrophobicContact CD2-CD1 4.03Å; C21-I69 WeakPolarHBondContact CA-O 3.3Å; K22-I69 PolarHBondContact N-O 3.4Å; I28-I69 HydrophobicContact CD1-CB 3.67Å; I28-I69 HydrophobicContact CD1-CG2 3.56Å; L33-I69 HydrophobicContact CB-CG2 3.89Å; L33-I69 HydrophobicContact CD1-CG2 4.33Å; L33-I69 HydrophobicContact CD2-CG2 4.26Å; L33-I69 HydrophobicContact CG-CG2 4.39Å; I34-I69 CarbonylContact O-C 3.56Å; I34-I69 WeakPolarHBondContact O-CA 3.33Å; V35-I69 HydrophobicContact CG2-CG1 4.32Å; V35-I69 HydrophobicContact CG2-CG2 4.27Å
70	Y	76.1	Confident	66	Low	1 Å²	1	66.9 Å²	66.9	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.8	-179.4	-64	-103.8	0	0	0	110.5	K22 G23 I34 L36 E68 F75 N97 I99	K22-Y70 HydrophobicContact CB-CD1 4.27Å; K22-Y70 HydrophobicContact CB-CD2 4.5Å; K22-Y70 HydrophobicContact CB-CE1 3.65Å; K22-Y70 HydrophobicContact CB-CE2 3.92Å; K22-Y70 VanDerWaalsContact CB-CZ 3.44Å; G23-Y70 VanDerWaalsContact N-CE1 3.31Å; I34-Y70 PolarHBondContact N-O 2.98Å; I34-Y70 PolarHBondContact O-N 2.65Å; L36-Y70 HydrophobicContact CD1-CD2 4.43Å; L36-Y70 HydrophobicContact CD1-CE2 3.68Å; L36-Y70 HydrophobicContact CG-CD2 4.36Å; L36-Y70 HydrophobicContact CG-CE2 4.05Å; E68-Y70 HydrophobicContact CB-CD2 4.48Å; E68-Y70 HydrophobicContact CB-CE2 3.7Å; E68-Y70 PolarHBondContact OE2-OH 3.18Å; Y70-F75 HydrophobicContact CD1-CD2 4.24Å; Y70-F75 AromaticContact CD2-CD2 3.9Å; Y70-F75 HydrophobicContact CD2-CD2 3.9Å; Y70-F75 HydrophobicContact CD2-CE2 4.2Å; Y70-F75 AromaticContact CG-CD2 3.73Å; Y70-F75 HydrophobicContact CG-CD2 3.73Å; Y70-F75 HydrophobicContact CG-CE2 4.47Å; Y70-N97 PolarHBondContact OH-O 3.44Å; Y70-I99 HydrophobicContact CD1-CD1 3.85Å; Y70-I99 HydrophobicContact CD2-CD1 4.27Å; Y70-I99 HydrophobicContact CE1-CD1 3.43Å; Y70-I99 VanDerWaalsContact CE1-CD1 3.43Å; Y70-I99 HydrophobicContact CE1-CG1 4.2Å; Y70-I99 HydrophobicContact CE2-CD1 3.91Å; Y70-I99 HydrophobicContact CG-CD1 4.27Å; Y70-I99 VanDerWaalsContact CZ-CD1 3.48Å
71	H	78.9	Confident	68.2	Low	21 Å²	21	65 Å²	65	10%	0.097	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	148.7	158.9	-55.3	124.5	0	0	0	109	C21 C24 P27 D30 H73 C74 F75	C21-H71 WeakPolarHBondContact CB-CE1 3.49Å; C21-H71 WeakPolarHBondContact CB-ND1 3.37Å; C21-H71 PolarHBondContact SG-N 3.49Å; C21-H71 PolarHBondContact SG-ND1 2.97Å; C24-H71 PolarHBondContact SG-CE1 2.98Å; C24-H71 PolarHBondContact SG-ND1 2.97Å; P27-H71 PolarHBondContact O-NE2 3.2Å; D30-H71 IonicContact OD1-CD2 2.61Å; D30-H71 VanDerWaalsContact OD2-CB 3.28Å; D30-H71 WeakPolarHBondContact OD2-CB 3.4Å; D30-H71 IonicContact OD2-CD2 3.19Å; D30-H71 PolarHBondContact OD2-CD2 3.24Å; D30-H71 VanDerWaalsContact OD2-CD2 3.23Å; D30-H71 IonicContact OD2-CG 2.61Å; H71-H73 VanDerWaalsContact C-N 3.32Å; H71-H73 PolarHBondContact O-N 3.07Å; H71-C74 HydrophobicContact CB-CB 4.09Å; H71-C74 PolarHBondContact O-N 2.86Å; H71-C74 VanDerWaalsContact O-N 3.07Å; H71-F75 PolarHBondContact O-N 3.47Å
72	I	74.3	Confident	70.4	Confident	47 Å²	47	64.7 Å²	64.7	24%	0.241	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-50.2	-54.8	178.4	-69.1	171.4	0	0	0	110.4	I32 C74 F75 H83	I32-I72 HydrophobicContact CB-CD1 3.78Å; I32-I72 HydrophobicContact CG2-CD1 3.72Å; I32-I72 HydrophobicContact CG2-CG1 4.33Å; I72-C74 PolarHBondContact O-N 3.27Å; I72-F75 WeakPolarHBondContact O-CB 3.47Å; I72-F75 PolarHBondContact O-N 3.33Å; I72-H83 WeakPolarHBondContact CG2-NE2 3.33Å; I72-H83 PolarHBondContact O-NE2 3.31Å
73	H	76.9	Confident	72.4	Confident	143 Å²	143	64.4 Å²	64.4	66%	0.662	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-72.6	-8.1	-174.9	-53.9	-50	0	0	0	114.6	H71 N76 H83	H71-H73 VanDerWaalsContact C-N 3.32Å; H71-H73 PolarHBondContact O-N 3.07Å; H73-N76 PolarHBondContact O-ND2 2.7Å; H73-H83 AromaticContact ND1-NE2 3.97Å
74	C	79.6	Confident	74.3	Confident	39 Å²	39	58.8 Å²	58.8	26%	0.264	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-97.1	-7.1	172.7	-63.8	0	0	0	0	112.7	C21 H71 I72 N76	C21-C74 VanDerWaalsContact SG-CB 3.57Å; H71-C74 HydrophobicContact CB-CB 4.09Å; H71-C74 PolarHBondContact O-N 2.86Å; H71-C74 VanDerWaalsContact O-N 3.07Å; I72-C74 PolarHBondContact O-N 3.27Å; C74-N76 PolarHBondContact O-N 3.17Å
75	F	82.3	Confident	75.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.			trans	-87.6	60	-178.2	-164.2	-109.7	0	0	0	111.2	I34 L36 Y70 H71 I72 L84 C91 I99 P668	I34-F75 HydrophobicContact CB-CD1 4.37Å; I34-F75 HydrophobicContact CB-CD2 4.31Å; I34-F75 HydrophobicContact CB-CG 4.15Å; I34-F75 HydrophobicContact CD1-CB 3.74Å; I34-F75 HydrophobicContact CD1-CD1 3.47Å; I34-F75 VanDerWaalsContact CD1-CD1 3.47Å; I34-F75 HydrophobicContact CD1-CE1 4.32Å; I34-F75 HydrophobicContact CD1-CG 3.72Å; I34-F75 HydrophobicContact CG1-CD1 4.48Å; I34-F75 HydrophobicContact CG2-CD1 3.81Å; I34-F75 HydrophobicContact CG2-CD2 3.84Å; I34-F75 HydrophobicContact CG2-CE1 3.81Å; I34-F75 HydrophobicContact CG2-CE2 3.81Å; I34-F75 HydrophobicContact CG2-CG 3.86Å; I34-F75 HydrophobicContact CG2-CZ 3.83Å; L36-F75 HydrophobicContact CD1-CE2 4.34Å; L36-F75 HydrophobicContact CD2-CE2 3.53Å; L36-F75 HydrophobicContact CD2-CZ 3.61Å; L36-F75 HydrophobicContact CG-CE2 4.04Å; Y70-F75 HydrophobicContact CD1-CD2 4.24Å; Y70-F75 AromaticContact CD2-CD2 3.9Å; Y70-F75 HydrophobicContact CD2-CD2 3.9Å; Y70-F75 HydrophobicContact CD2-CE2 4.2Å; Y70-F75 AromaticContact CG-CD2 3.73Å; Y70-F75 HydrophobicContact CG-CD2 3.73Å; Y70-F75 HydrophobicContact CG-CE2 4.47Å; H71-F75 PolarHBondContact O-N 3.47Å; I72-F75 WeakPolarHBondContact O-CB 3.47Å; I72-F75 PolarHBondContact O-N 3.33Å; F75-L84 HydrophobicContact CD1-CB 3.46Å; F75-L84 VanDerWaalsContact CD1-CB 3.46Å; F75-L84 HydrophobicContact CD1-CD1 4.21Å; F75-L84 HydrophobicContact CD1-CG 4.42Å; F75-L84 WeakPolarHBondContact CD1-O 3.49Å; F75-L84 HydrophobicContact CE1-CB 3.4Å; F75-L84 HydrophobicContact CE1-CD1 3.89Å; F75-L84 HydrophobicContact CE1-CG 4.29Å; F75-L84 HydrophobicContact CG-CB 4.45Å; F75-L84 HydrophobicContact CZ-CB 4.38Å; F75-L84 HydrophobicContact CZ-CD1 4.08Å; F75-L84 VanDerWaalsContact O-CB 3.24Å; F75-L84 WeakPolarHBondContact O-CB 3.39Å; F75-L84 PolarHBondContact O-N 2.78Å; F75-C91 HydrophobicContact CZ-CB 4.43Å; F75-I99 HydrophobicContact CD2-CD1 3.34Å; F75-I99 HydrophobicContact CE2-CD1 3.3Å; F75-I99 HydrophobicContact CE2-CG1 4.33Å; F75-I99 HydrophobicContact CG-CD1 4.35Å; F75-I99 HydrophobicContact CZ-CD1 4.27Å; F75-P668 HydrophobicContact CE1-CB 3.56Å; F75-P668 HydrophobicContact CE1-CG 4.26Å; F75-P668 HydrophobicContact CZ-CB 3.74Å
76	N	83.4	Confident	76.1	Confident	56 Å²	56	55 Å²	55	30%	0.299	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-107.4	155.6	-176.7	-53.6	-42	0	0	0	111.4	H73 C74 F78 D82 H83	H73-N76 PolarHBondContact O-ND2 2.7Å; C74-N76 PolarHBondContact O-N 3.17Å; N76-F78 PolarHBondContact O-N 3.31Å; N76-D82 CarbonylContact C-O 3.57Å; N76-D82 WeakPolarHBondContact CA-O 3.48Å; N76-H83 WeakPolarHBondContact OD1-CA 3.49Å
77	C	85.6	Confident	76.4	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.014	28%	0.275	C	S	.	.			trans	-70.2	117.7	169.9	-176.6	0	0	0	0	110.6	E79 C80 G81 D82 L84 I99 C101	C77-E79 PolarHBondContact O-N 3.42Å; C77-C80 VanDerWaalsContact CB-SG 3.5Å; C77-C80 PolarHBondContact O-N 3.19Å; C77-C80 PolarHBondContact SG-SG 3.14Å; C77-G81 WeakPolarHBondContact O-CA 3.33Å; C77-G81 PolarHBondContact O-N 3.25Å; C77-D82 HydrophobicContact CB-CB 4.04Å; C77-D82 PolarHBondContact N-O 3.46Å; C77-L84 HydrophobicContact CB-CD2 4.22Å; C77-I99 CarbonylContact C-O 3.57Å; C77-I99 WeakPolarHBondContact CA-O 3.47Å; C77-C101 HydrophobicContact CB-CB 4.01Å; C77-C101 PolarHBondContact SG-N 3.41Å
78	F	84.4	Confident	76.4	Confident	109 Å²	109	52.5 Å²	52.5	48%	0.478	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.9	177.9	177.8	-100.2	0	0	0	114.1	N76 K98 I99	N76-F78 PolarHBondContact O-N 3.31Å; F78-K98 HydrophobicContact CB-CB 4.01Å; F78-K98 HydrophobicContact CD1-CB 4.49Å; F78-K98 HydrophobicContact CD1-CD 4.07Å; F78-K98 HydrophobicContact CD2-CB 4.11Å; F78-K98 HydrophobicContact CD2-CD 3.85Å; F78-K98 HydrophobicContact CD2-CG 3.86Å; F78-K98 HydrophobicContact CE1-CD 4Å; F78-K98 HydrophobicContact CE2-CD 3.76Å; F78-K98 HydrophobicContact CE2-CG 4.17Å; F78-K98 HydrophobicContact CG-CB 3.94Å; F78-K98 HydrophobicContact CG-CD 4.02Å; F78-K98 HydrophobicContact CG-CG 4.14Å; F78-K98 HydrophobicContact CZ-CD 3.85Å; F78-I99 WeakPolarHBondContact CB-O 3.43Å; F78-I99 PolarHBondContact N-O 3.14Å
79	E	80.7	Confident	76.1	Confident	54 Å²	54	56.8 Å²	56.8	25%	0.252	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-17.6	-169.9	-66	-83.2	162.1	0	0	114.9	C77 I100 C104 Y108 R129	C77-E79 PolarHBondContact O-N 3.42Å; E79-I100 HydrophobicContact CB-CG2 4.47Å; E79-I100 HydrophobicContact CG-CG2 3.61Å; E79-C104 HydrophobicContact CB-CB 4.08Å; E79-Y108 WeakPolarHBondContact CB-OH 3.35Å; E79-Y108 HydrophobicContact CG-CE2 4.06Å; E79-Y108 WeakPolarHBondContact CG-OH 3.33Å; E79-Y108 PolarHBondContact OE2-OH 3Å; E79-R129 IonicContact OE1-CZ 3.53Å; E79-R129 IonicContact OE1-NE 3.47Å; E79-R129 IonicContact OE1-NH1 2.65Å; E79-R129 PolarHBondContact OE1-NH1 3.14Å
80	C	84	Confident	76	Confident	59 Å²	59	59.4 Å²	59.4	40%	0.399	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-5.9	177.7	58.2	0	0	0	0	114.3	C77 D82	C77-C80 VanDerWaalsContact CB-SG 3.5Å; C77-C80 PolarHBondContact O-N 3.19Å; C77-C80 PolarHBondContact SG-SG 3.14Å; C80-D82 PolarHBondContact O-N 3.49Å; C80-D82 PolarHBondContact SG-OD2 3.42Å
81	G	82.6	Confident	76.2	Confident	42 Å²	42	59.4 Å²	59.4	43%	0.433	31%	0.308	S	S	.	.			trans	78.7	-11.4	-175.5	0	0	0	0	0	114.8	C77 H83	C77-G81 WeakPolarHBondContact O-CA 3.33Å; C77-G81 PolarHBondContact O-N 3.25Å; G81-H83 PolarHBondContact O-N 2.95Å; G81-H83 VanDerWaalsContact O-N 3.09Å
82	D	82.3	Confident	76.3	Confident	66 Å²	66	59 Å²	59	35%	0.353	31%	0.306	S	S	.	.			trans	-45	117.7	178.9	-69.6	-7.7	0	0	0	110.8	N76 C77 C80 L84	N76-D82 CarbonylContact C-O 3.57Å; N76-D82 WeakPolarHBondContact CA-O 3.48Å; C77-D82 HydrophobicContact CB-CB 4.04Å; C77-D82 PolarHBondContact N-O 3.46Å; C80-D82 PolarHBondContact O-N 3.49Å; C80-D82 PolarHBondContact SG-OD2 3.42Å; D82-L84 PolarHBondContact O-N 2.94Å; D82-L84 VanDerWaalsContact O-N 3.12Å
83	H	80.6	Confident	76.3	Confident	87 Å²	87	57.9 Å²	57.9	40%	0.403	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-62.9	115.5	169.6	-172.6	-57.8	0	0	0	108.3	I72 H73 N76 G81 S85	I72-H83 WeakPolarHBondContact CG2-NE2 3.33Å; I72-H83 PolarHBondContact O-NE2 3.31Å; H73-H83 AromaticContact ND1-NE2 3.97Å; N76-H83 WeakPolarHBondContact OD1-CA 3.49Å; G81-H83 PolarHBondContact O-N 2.95Å; G81-H83 VanDerWaalsContact O-N 3.09Å; H83-S85 PolarHBondContact O-N 3.42Å
84	L	78.1	Confident	76.1	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.273	C	S	.	.			trans	-76.9	122	-179.5	-55.5	167.2	0	0	0	107.1	F75 C77 D82 N88 I99 C101	F75-L84 HydrophobicContact CD1-CB 3.46Å; F75-L84 VanDerWaalsContact CD1-CB 3.46Å; F75-L84 HydrophobicContact CD1-CD1 4.21Å; F75-L84 HydrophobicContact CD1-CG 4.42Å; F75-L84 WeakPolarHBondContact CD1-O 3.49Å; F75-L84 HydrophobicContact CE1-CB 3.4Å; F75-L84 HydrophobicContact CE1-CD1 3.89Å; F75-L84 HydrophobicContact CE1-CG 4.29Å; F75-L84 HydrophobicContact CG-CB 4.45Å; F75-L84 HydrophobicContact CZ-CB 4.38Å; F75-L84 HydrophobicContact CZ-CD1 4.08Å; F75-L84 VanDerWaalsContact O-CB 3.24Å; F75-L84 WeakPolarHBondContact O-CB 3.39Å; F75-L84 PolarHBondContact O-N 2.78Å; C77-L84 HydrophobicContact CB-CD2 4.22Å; D82-L84 PolarHBondContact O-N 2.94Å; D82-L84 VanDerWaalsContact O-N 3.12Å; L84-N88 WeakPolarHBondContact CD2-ND2 3.14Å; L84-I99 HydrophobicContact CD1-CB 4.04Å; L84-I99 HydrophobicContact CD1-CG2 3.41Å; L84-I99 VanDerWaalsContact CD1-CG2 3.41Å; L84-C101 HydrophobicContact CD2-CB 3.47Å; L84-C101 VanDerWaalsContact CD2-CB 3.47Å
85	S	65.5	Low	75.7	Confident	35 Å²	35	54.4 Å²	54.4	25%	0.245	28%	0.279	C	S	.	.			trans	-91.1	168.9	175.7	78.6	0	0	0	0	110.8	H83 N87 N88	H83-S85 PolarHBondContact O-N 3.42Å; S85-N87 PolarHBondContact O-N 2.96Å; S85-N87 WeakPolarHBondContact OG-CB 3.34Å; S85-N87 PolarHBondContact OG-N 3.02Å; S85-N87 VanDerWaalsContact OG-N 3.1Å; S85-N88 WeakPolarHBondContact CB-OD1 3.38Å; S85-N88 PolarHBondContact N-OD1 3.41Å; S85-N88 VanDerWaalsContact O-CB 3.24Å; S85-N88 WeakPolarHBondContact O-CB 3.36Å; S85-N88 PolarHBondContact O-N 2.97Å; S85-N88 PolarHBondContact O-OD1 3.33Å; S85-N88 PolarHBondContact OG-OD1 3.3Å
86	F	61	Low	75.2	Confident	125 Å²	125	62.2 Å²	62.2	55%	0.548	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.5	168	60.6	-85.4	0	0	0	113	N88 I670	F86-N88 PolarHBondContact O-N 3.16Å; F86-I670 HydrophobicContact CB-CD1 3.74Å; F86-I670 HydrophobicContact CB-CG1 3.75Å; F86-I670 HydrophobicContact CD1-CD1 3.69Å; F86-I670 HydrophobicContact CD2-CD1 4.47Å; F86-I670 HydrophobicContact CE1-CD1 4.44Å; F86-I670 HydrophobicContact CG-CD1 3.72Å; F86-I670 HydrophobicContact CG-CG1 4.3Å
87	N	58.2	Low	74.5	Confident	119 Å²	119	61.4 Å²	61.4	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-10.4	172.5	-60	-36.1	0	0	0	112.5	S85 E89	S85-N87 PolarHBondContact O-N 2.96Å; S85-N87 WeakPolarHBondContact OG-CB 3.34Å; S85-N87 PolarHBondContact OG-N 3.02Å; S85-N87 VanDerWaalsContact OG-N 3.1Å; N87-E89 VanDerWaalsContact C-N 3.35Å; N87-E89 PolarHBondContact O-N 3.27Å
88	N	63.1	Low	74.2	Confident	44 Å²	44	64.6 Å²	64.6	24%	0.235	33%	0.325	C	S	.	.			trans	-75.3	89	175.8	-63.6	41.4	0	0	0	108.6	L84 S85 F86 K90 P668	L84-N88 WeakPolarHBondContact CD2-ND2 3.14Å; S85-N88 WeakPolarHBondContact CB-OD1 3.38Å; S85-N88 PolarHBondContact N-OD1 3.41Å; S85-N88 VanDerWaalsContact O-CB 3.24Å; S85-N88 WeakPolarHBondContact O-CB 3.36Å; S85-N88 PolarHBondContact O-N 2.97Å; S85-N88 PolarHBondContact O-OD1 3.33Å; S85-N88 PolarHBondContact OG-OD1 3.3Å; F86-N88 PolarHBondContact O-N 3.16Å; N88-K90 PolarHBondContact O-N 3.29Å; N88-P668 WeakPolarHBondContact O-CD 3.24Å; N88-P668 WeakPolarHBondContact O-CG 2.87Å
89	E	64.3	Low	74.1	Confident	127 Å²	127	59.6 Å²	59.6	59%	0.593	30%	0.303	S	S	*	.			trans	-45.4	-30.5	-173.8	-66	-166.8	153.9	0	0	115.5	N87 F667	N87-E89 VanDerWaalsContact C-N 3.35Å; N87-E89 PolarHBondContact O-N 3.27Å; E89-F667 WeakPolarHBondContact O-CD1 3.39Å; E89-F667 WeakPolarHBondContact O-CE1 3.39Å
90	K	74.2	Confident	74.2	Confident	71 Å²	71	57.1 Å²	57.1	31%	0.309	29%	0.292	S	S	.	.			trans	-145.4	131.6	-171.6	-54.6	-178.9	-171.5	80.1	0	109.8	N88 W92	N88-K90 PolarHBondContact O-N 3.29Å; K90-W92 HydrophobicContact CB-CH2 3.32Å; K90-W92 HydrophobicContact CB-CZ2 3.65Å; K90-W92 HydrophobicContact CB-CZ3 3.9Å; K90-W92 HydrophobicContact CD-CH2 4.37Å; K90-W92 HydrophobicContact CD-CZ2 4.25Å; K90-W92 HydrophobicContact CG-CH2 4.44Å; K90-W92 WeakPolarHBondContact O-CZ3 3.36Å
91	C	80.2	Confident	74.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-132.7	145	176.6	64.2	0	0	0	0	112.5	L36 F75 I99 Y666	L36-C91 WeakPolarHBondContact CD2-SG 3.28Å; F75-C91 HydrophobicContact CZ-CB 4.43Å; C91-I99 HydrophobicContact CB-CG2 3.92Å; C91-Y666 PolarHBondContact N-O 2.94Å; C91-Y666 PolarHBondContact O-N 3.32Å; C91-Y666 VanDerWaalsContact O-N 3.14Å; C91-Y666 PolarHBondContact SG-O 3.31Å
92	W	80.2	Confident	74.4	Confident	14 Å²	14	55.5 Å²	55.5	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	96.7	-172.2	42.4	-174.7	0	0	0	113.9	K90 Y94 I99 I100 I102 R105 F665	K90-W92 HydrophobicContact CB-CH2 3.32Å; K90-W92 HydrophobicContact CB-CZ2 3.65Å; K90-W92 HydrophobicContact CB-CZ3 3.9Å; K90-W92 HydrophobicContact CD-CH2 4.37Å; K90-W92 HydrophobicContact CD-CZ2 4.25Å; K90-W92 HydrophobicContact CG-CH2 4.44Å; K90-W92 WeakPolarHBondContact O-CZ3 3.36Å; W92-Y94 PolarHBondContact O-N 3.32Å; W92-I99 CarbonylContact O-C 3.54Å; W92-I99 VanDerWaalsContact O-CA 3.26Å; W92-I99 WeakPolarHBondContact O-CA 3.27Å; W92-I100 PolarHBondContact N-O 3.1Å; W92-I100 PolarHBondContact O-N 2.85Å; W92-I102 HydrophobicContact CH2-CB 3.95Å; W92-I102 HydrophobicContact CH2-CD1 4.14Å; W92-I102 HydrophobicContact CH2-CG1 3.82Å; W92-I102 VanDerWaalsContact CZ3-CA 3.49Å; W92-I102 HydrophobicContact CZ3-CB 3.77Å; W92-I102 HydrophobicContact CZ3-CG1 4.15Å; W92-R105 VanDerWaalsContact CD1-CZ 3.45Å; W92-R105 HydrophobicContact CD2-CG 4.46Å; W92-R105 HydrophobicContact CE3-CB 4.16Å; W92-R105 VanDerWaalsContact CG-CD 3.48Å; W92-R105 HydrophobicContact CZ3-CB 4.37Å; W92-F665 HydrophobicContact CG-CB 4.46Å; W92-F665 HydrophobicContact CZ2-CB 4.43Å; W92-F665 VanDerWaalsContact NE1-CB 3.27Å
93	I	76.1	Confident	74.6	Confident	23 Å²	23	55.6 Å²	55.6	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	127.5	160.9	-59.3	-177.2	0	0	0	108.2	L36 E68 Q95 Y666	L36-I93 HydrophobicContact CD1-CD1 3.7Å; L36-I93 HydrophobicContact CD1-CG1 3.66Å; E68-I93 WeakPolarHBondContact OE2-CD1 3.28Å; I93-Q95 WeakPolarHBondContact CG2-O 3.46Å; I93-Y666 HydrophobicContact CB-CD2 4.34Å; I93-Y666 HydrophobicContact CB-CE2 4.06Å; I93-Y666 HydrophobicContact CD1-CD1 3.78Å; I93-Y666 HydrophobicContact CD1-CD2 4.04Å; I93-Y666 HydrophobicContact CD1-CE1 3.48Å; I93-Y666 VanDerWaalsContact CD1-CE1 3.48Å; I93-Y666 HydrophobicContact CD1-CE2 3.82Å; I93-Y666 HydrophobicContact CD1-CG 4.06Å; I93-Y666 HydrophobicContact CG1-CD1 4.36Å; I93-Y666 HydrophobicContact CG1-CD2 3.84Å; I93-Y666 HydrophobicContact CG1-CE1 4.34Å; I93-Y666 HydrophobicContact CG1-CE2 3.88Å; I93-Y666 HydrophobicContact CG1-CG 4.13Å
94	Y	71.5	Confident	74.8	Confident	24 Å²	24	51.9 Å²	51.9	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	112.7	-175.6	173.1	-94.9	0	0	0	109.7	W92 K98 I100 R129 L661	W92-Y94 PolarHBondContact O-N 3.32Å; Y94-K98 HydrophobicContact CD1-CD 4.43Å; Y94-K98 PolarHBondContact N-O 3.01Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-I100 HydrophobicContact CG-CG2 4.4Å; Y94-R129 PolarHBondContact OH-NH1 2.96Å; Y94-R129 VanDerWaalsContact OH-NH1 3.14Å; Y94-R129 PolarHBondContact OH-NH2 3.25Å; Y94-L661 HydrophobicContact CD2-CD2 3.48Å; Y94-L661 VanDerWaalsContact CD2-CD2 3.48Å; Y94-L661 HydrophobicContact CE2-CD2 3.75Å
95	Q	71.8	Confident	75.1	Confident	84 Å²	84	53.4 Å²	53.4	39%	0.393	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	-165.6	-162.1	-54.7	177	-51	0	0	110.4	I93	I93-Q95 WeakPolarHBondContact CG2-O 3.46Å
96	E	71.5	Confident	76	Confident	165 Å²	165	54.1 Å²	54.1	77%	0.771	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	143.8	172.1	-58	-169.3	160.2	0	0	110.7	K98	E96-K98 PolarHBondContact O-N 3.44Å
97	N	67.8	Low	77.2	Confident	39 Å²	39	52.5 Å²	52.5	21%	0.209	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-7.8	172.1	-68.3	23.3	0	0	0	118.5	K22 N25 Y70	K22-N97 WeakPolarHBondContact CD-OD1 3.31Å; K22-N97 WeakPolarHBondContact CE-OD1 3.03Å; K22-N97 PolarHBondContact NZ-OD1 3.2Å; K22-N97 VanDerWaalsContact O-CB 3.29Å; K22-N97 WeakPolarHBondContact O-CB 3.42Å; K22-N97 VanDerWaalsContact O-CG 3.3Å; K22-N97 PolarHBondContact O-ND2 3.31Å; N25-N97 PolarHBondContact OD1-ND2 2.88Å; Y70-N97 PolarHBondContact OH-O 3.44Å
98	K	80.7	Confident	78.5	Confident	69 Å²	69	48.2 Å²	48.2	30%	0.3	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	144.9	179	-47.5	162.5	-173.7	174.3	0	111.1	F78 Y94 E96	F78-K98 HydrophobicContact CB-CB 4.01Å; F78-K98 HydrophobicContact CD1-CB 4.49Å; F78-K98 HydrophobicContact CD1-CD 4.07Å; F78-K98 HydrophobicContact CD2-CB 4.11Å; F78-K98 HydrophobicContact CD2-CD 3.85Å; F78-K98 HydrophobicContact CD2-CG 3.86Å; F78-K98 HydrophobicContact CE1-CD 4Å; F78-K98 HydrophobicContact CE2-CD 3.76Å; F78-K98 HydrophobicContact CE2-CG 4.17Å; F78-K98 HydrophobicContact CG-CB 3.94Å; F78-K98 HydrophobicContact CG-CD 4.02Å; F78-K98 HydrophobicContact CG-CG 4.14Å; F78-K98 HydrophobicContact CZ-CD 3.85Å; Y94-K98 HydrophobicContact CD1-CD 4.43Å; Y94-K98 PolarHBondContact N-O 3.01Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; E96-K98 PolarHBondContact O-N 3.44Å
99	I	82.2	Confident	79.7	Confident	4 Å²	4	48 Å²	48	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.2	-179.1	-50.9	148.1	0	0	0	110	L36 Y70 F75 C77 F78 L84 C91 W92	L36-I99 HydrophobicContact CD1-CG1 4.4Å; Y70-I99 HydrophobicContact CD1-CD1 3.85Å; Y70-I99 HydrophobicContact CD2-CD1 4.27Å; Y70-I99 HydrophobicContact CE1-CD1 3.43Å; Y70-I99 VanDerWaalsContact CE1-CD1 3.43Å; Y70-I99 HydrophobicContact CE1-CG1 4.2Å; Y70-I99 HydrophobicContact CE2-CD1 3.91Å; Y70-I99 HydrophobicContact CG-CD1 4.27Å; Y70-I99 VanDerWaalsContact CZ-CD1 3.48Å; F75-I99 HydrophobicContact CD2-CD1 3.34Å; F75-I99 HydrophobicContact CE2-CD1 3.3Å; F75-I99 HydrophobicContact CE2-CG1 4.33Å; F75-I99 HydrophobicContact CG-CD1 4.35Å; F75-I99 HydrophobicContact CZ-CD1 4.27Å; C77-I99 CarbonylContact C-O 3.57Å; C77-I99 WeakPolarHBondContact CA-O 3.47Å; F78-I99 WeakPolarHBondContact CB-O 3.43Å; F78-I99 PolarHBondContact N-O 3.14Å; L84-I99 HydrophobicContact CD1-CB 4.04Å; L84-I99 HydrophobicContact CD1-CG2 3.41Å; L84-I99 VanDerWaalsContact CD1-CG2 3.41Å; C91-I99 HydrophobicContact CB-CG2 3.92Å; W92-I99 CarbonylContact O-C 3.54Å; W92-I99 VanDerWaalsContact O-CA 3.26Å; W92-I99 WeakPolarHBondContact O-CA 3.27Å
100	I	83.6	Confident	81	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.6	172.4	65	173.3	0	0	0	112.1	E79 W92 Y94 C104 R105 Y108 L661	E79-I100 HydrophobicContact CB-CG2 4.47Å; E79-I100 HydrophobicContact CG-CG2 3.61Å; W92-I100 PolarHBondContact N-O 3.1Å; W92-I100 PolarHBondContact O-N 2.85Å; Y94-I100 HydrophobicContact CG-CG2 4.4Å; I100-C104 HydrophobicContact CB-CB 4.41Å; I100-R105 HydrophobicContact CD1-CB 3.88Å; I100-R105 HydrophobicContact CD1-CG 4.25Å; I100-R105 HydrophobicContact CG1-CB 4.41Å; I100-Y108 HydrophobicContact CD1-CD2 4.11Å; I100-Y108 HydrophobicContact CD1-CE2 4.14Å; I100-L661 HydrophobicContact CD1-CD2 4.43Å
101	C	86.8	Confident	81.8	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.007	19%	0.189	C	C	.	.			trans	-73.9	167.5	174.9	75.7	0	0	0	0	111.9	C77 L84 N103 C104 R105	C77-C101 HydrophobicContact CB-CB 4.01Å; C77-C101 PolarHBondContact SG-N 3.41Å; L84-C101 HydrophobicContact CD2-CB 3.47Å; L84-C101 VanDerWaalsContact CD2-CB 3.47Å; C101-N103 VanDerWaalsContact C-N 3.3Å; C101-N103 PolarHBondContact O-N 2.94Å; C101-C104 PolarHBondContact O-N 2.83Å; C101-C104 PolarHBondContact SG-N 2.97Å; C101-R105 PolarHBondContact O-N 2.86Å
102	I	83.7	Confident	82.2	Confident	65 Å²	65	41.4 Å²	41.4	33%	0.333	20%	0.201	S	C	.	.	H	α-helix	trans	-59.1	-40.5	176	-170.2	163.8	0	0	0	112.2	W92 C104 R105 I106	W92-I102 HydrophobicContact CH2-CB 3.95Å; W92-I102 HydrophobicContact CH2-CD1 4.14Å; W92-I102 HydrophobicContact CH2-CG1 3.82Å; W92-I102 VanDerWaalsContact CZ3-CA 3.49Å; W92-I102 HydrophobicContact CZ3-CB 3.77Å; W92-I102 HydrophobicContact CZ3-CG1 4.15Å; I102-C104 PolarHBondContact O-N 3.26Å; I102-R105 PolarHBondContact O-N 2.8Å; I102-I106 HydrophobicContact CG1-CD1 3.78Å; I102-I106 HydrophobicContact CG1-CG1 4.33Å; I102-I106 VanDerWaalsContact O-CB 3.31Å; I102-I106 WeakPolarHBondContact O-CB 3.42Å; I102-I106 VanDerWaalsContact O-CG1 3.25Å; I102-I106 WeakPolarHBondContact O-CG1 3.07Å; I102-I106 PolarHBondContact O-N 3.07Å
103	N	84.9	Confident	82.6	Confident	68 Å²	68	45 Å²	45	36%	0.364	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-46.6	179.5	-43.8	-47	0	0	0	111.2	C101 I106 K107	C101-N103 VanDerWaalsContact C-N 3.3Å; C101-N103 PolarHBondContact O-N 2.94Å; N103-I106 PolarHBondContact O-N 2.96Å; N103-K107 WeakPolarHBondContact O-CB 3.38Å; N103-K107 PolarHBondContact O-N 3.41Å
104	C	86	Confident	83.4	Confident	10 Å²	10	46.4 Å²	46.4	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-68.7	-41.5	177.5	-70.6	0	0	0	0	112.2	E79 I100 C101 I102 I106 K107 Y108	E79-C104 HydrophobicContact CB-CB 4.08Å; I100-C104 HydrophobicContact CB-CB 4.41Å; C101-C104 PolarHBondContact O-N 2.83Å; C101-C104 PolarHBondContact SG-N 2.97Å; I102-C104 PolarHBondContact O-N 3.26Å; C104-I106 VanDerWaalsContact C-N 3.29Å; C104-I106 PolarHBondContact O-N 3.12Å; C104-K107 WeakPolarHBondContact O-CA 3.39Å; C104-K107 WeakPolarHBondContact O-CB 3.48Å; C104-K107 PolarHBondContact O-N 3.36Å; C104-K107 VanDerWaalsContact O-N 3.1Å; C104-Y108 HydrophobicContact CB-CE2 3.89Å; C104-Y108 WeakPolarHBondContact O-CD2 3.36Å; C104-Y108 WeakPolarHBondContact O-CE2 3.47Å; C104-Y108 PolarHBondContact O-N 3.29Å
105	R	84.4	Confident	84.3	Confident	33 Å²	33	53.6 Å²	53.6	13%	0.125	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-37.9	175.3	-169.8	172.4	-170.7	-105.7	6	112.4	W92 I100 C101 I102 Y108 K109 L661 P662 N663	W92-R105 VanDerWaalsContact CD1-CZ 3.45Å; W92-R105 HydrophobicContact CD2-CG 4.46Å; W92-R105 HydrophobicContact CE3-CB 4.16Å; W92-R105 VanDerWaalsContact CG-CD 3.48Å; W92-R105 HydrophobicContact CZ3-CB 4.37Å; I100-R105 HydrophobicContact CD1-CB 3.88Å; I100-R105 HydrophobicContact CD1-CG 4.25Å; I100-R105 HydrophobicContact CG1-CB 4.41Å; C101-R105 PolarHBondContact O-N 2.86Å; I102-R105 PolarHBondContact O-N 2.8Å; R105-Y108 PolarHBondContact O-N 2.7Å; R105-K109 PolarHBondContact O-N 2.7Å; R105-L661 HydrophobicContact CG-CD1 4.39Å; R105-P662 PolarHBondContact NH2-O 3.19Å; R105-N663 PolarHBondContact NH2-OD1 2.93Å
106	I	84.7	Confident	85.3	Confident	49 Å²	49	55.2 Å²	55.2	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-47.6	171.4	-75.4	172.4	0	0	0	109.9	I102 N103 C104 Y108 K109 H110 Y468	I102-I106 HydrophobicContact CG1-CD1 3.78Å; I102-I106 HydrophobicContact CG1-CG1 4.33Å; I102-I106 VanDerWaalsContact O-CB 3.31Å; I102-I106 WeakPolarHBondContact O-CB 3.42Å; I102-I106 VanDerWaalsContact O-CG1 3.25Å; I102-I106 WeakPolarHBondContact O-CG1 3.07Å; I102-I106 PolarHBondContact O-N 3.07Å; N103-I106 PolarHBondContact O-N 2.96Å; C104-I106 VanDerWaalsContact C-N 3.29Å; C104-I106 PolarHBondContact O-N 3.12Å; I106-Y108 PolarHBondContact O-N 3.22Å; I106-K109 CarbonylContact O-C 3.59Å; I106-K109 PolarHBondContact O-N 3Å; I106-H110 PolarHBondContact O-N 2.92Å; I106-H110 VanDerWaalsContact O-N 3.11Å; I106-H110 PolarHBondContact O-ND1 3.43Å; I106-Y468 HydrophobicContact CG2-CE2 4.08Å; I106-Y468 WeakPolarHBondContact CG2-OH 3.29Å
107	K	85.5	Confident	86.3	Confident	92 Å²	92	53.2 Å²	53.2	40%	0.4	25%	0.253	S	S	.	.	H	α-helix	trans	-54.5	-33.2	175.8	-170.4	179.3	-177.1	173.7	0	113.5	N103 C104 V130 N157	N103-K107 WeakPolarHBondContact O-CB 3.38Å; N103-K107 PolarHBondContact O-N 3.41Å; C104-K107 WeakPolarHBondContact O-CA 3.39Å; C104-K107 WeakPolarHBondContact O-CB 3.48Å; C104-K107 PolarHBondContact O-N 3.36Å; C104-K107 VanDerWaalsContact O-N 3.1Å; K107-V130 HydrophobicContact CD-CG2 4.34Å; K107-V130 HydrophobicContact CG-CG2 4.14Å; K107-N157 PolarHBondContact NZ-OD1 2.82Å
108	Y	86.1	Confident	87.4	Confident	28 Å²	28	52 Å²	52	11%	0.11	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.9	176	-51.2	-43.3	0	0	0	115	E79 I100 C104 R105 I106 R129 L661	E79-Y108 WeakPolarHBondContact CB-OH 3.35Å; E79-Y108 HydrophobicContact CG-CE2 4.06Å; E79-Y108 WeakPolarHBondContact CG-OH 3.33Å; E79-Y108 PolarHBondContact OE2-OH 3Å; I100-Y108 HydrophobicContact CD1-CD2 4.11Å; I100-Y108 HydrophobicContact CD1-CE2 4.14Å; C104-Y108 HydrophobicContact CB-CE2 3.89Å; C104-Y108 WeakPolarHBondContact O-CD2 3.36Å; C104-Y108 WeakPolarHBondContact O-CE2 3.47Å; C104-Y108 PolarHBondContact O-N 3.29Å; R105-Y108 PolarHBondContact O-N 2.7Å; I106-Y108 PolarHBondContact O-N 3.22Å; Y108-R129 HydrophobicContact CD1-CB 3.48Å; Y108-R129 VanDerWaalsContact CD1-CB 3.48Å; Y108-R129 HydrophobicContact CE1-CB 3.55Å; Y108-R129 HydrophobicContact CG-CB 4.27Å; Y108-L661 HydrophobicContact CD2-CD1 4.12Å; Y108-L661 HydrophobicContact CG-CD1 4.33Å
109	K	87.8	Confident	87.7	Confident	39 Å²	39	51.6 Å²	51.6	17%	0.17	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-1.2	172.5	-67.3	-154	-179.1	-164.2	0	113.9	R105 I106 Q117 V118 E120 N663	R105-K109 PolarHBondContact O-N 2.7Å; I106-K109 CarbonylContact O-C 3.59Å; I106-K109 PolarHBondContact O-N 3Å; K109-Q117 WeakPolarHBondContact O-CA 3.44Å; K109-Q117 WeakPolarHBondContact O-CG 2.97Å; K109-V118 PolarHBondContact O-N 2.81Å; K109-E120 IonicContact NZ-OE1 3.93Å; K109-E120 PolarHBondContact NZ-OE1 3.45Å; K109-N663 PolarHBondContact NZ-OD1 3.21Å
110	H	90.7	Very high	87.8	Confident	36 Å²	36	55.9 Å²	55.9	17%	0.167	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-123.6	146.5	-179	-65	75.6	0	0	0	111.4	I106 G112 R115 L116 Q117 P131	I106-H110 PolarHBondContact O-N 2.92Å; I106-H110 VanDerWaalsContact O-N 3.11Å; I106-H110 PolarHBondContact O-ND1 3.43Å; H110-G112 PolarHBondContact O-N 2.88Å; H110-R115 PolarHBondContact CD2-O 2.99Å; H110-R115 VanDerWaalsContact CD2-O 3.26Å; H110-L116 CarbonylContact C-O 3.49Å; H110-L116 WeakPolarHBondContact CA-O 3.3Å; H110-Q117 VanDerWaalsContact CD2-CA 3.47Å; H110-Q117 WeakPolarHBondContact CD2-CA 3.47Å; H110-Q117 PolarHBondContact CD2-N 3.01Å; H110-P131 WeakPolarHBondContact O-CD 3.1Å; H110-P131 WeakPolarHBondContact O-CG 3.29Å
111	C	92.6	Very high	87.9	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.014	31%	0.305	C	S	.	.			trans	-69	127	-176.7	172.8	0	0	0	0	111.8	R113 C114 R115 L116 V118 P131 H133	C111-R113 PolarHBondContact O-N 3.34Å; C111-C114 VanDerWaalsContact CB-SG 3.59Å; C111-C114 VanDerWaalsContact SG-SG 3.63Å; C111-R115 WeakPolarHBondContact O-CA 3.32Å; C111-R115 PolarHBondContact O-N 3.36Å; C111-L116 PolarHBondContact N-O 2.99Å; C111-V118 HydrophobicContact CB-CG2 4.07Å; C111-P131 CarbonylContact C-O 3.59Å; C111-P131 VanDerWaalsContact CA-O 3.26Å; C111-P131 WeakPolarHBondContact CA-O 3.38Å; C111-H133 VanDerWaalsContact CB-CE1 3.42Å; C111-H133 WeakPolarHBondContact CB-CE1 3.26Å; C111-H133 VanDerWaalsContact CB-ND1 3.32Å; C111-H133 WeakPolarHBondContact CB-ND1 3.35Å; C111-H133 PolarHBondContact SG-ND1 2.85Å; C111-H133 VanDerWaalsContact SG-ND1 3.36Å
112	G	87.6	Confident	87.9	Confident	23 Å²	23	65.4 Å²	65.4	24%	0.237	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.9	-177.2	0	0	0	0	0	115.5	H110 P131	H110-G112 PolarHBondContact O-N 2.88Å; G112-P131 PolarHBondContact N-O 3.31Å
113	R	89.5	Confident	88.1	Confident	90 Å²	90	71.2 Å²	71.2	34%	0.34	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-63.3	178.7	-170.5	176.5	178.8	125.4	-0.7	113.1	C111 F132 C136 T138 C139	C111-R113 PolarHBondContact O-N 3.34Å; R113-F132 HydrophobicContact CB-CD1 4.18Å; R113-F132 HydrophobicContact CB-CE1 4.26Å; R113-C136 HydrophobicContact CB-CB 4.11Å; R113-C136 WeakPolarHBondContact CD-O 3.22Å; R113-T138 VanDerWaalsContact CZ-OG1 3.24Å; R113-T138 PolarHBondContact NH1-O 3.08Å; R113-T138 PolarHBondContact NH1-OG1 3.17Å; R113-C139 PolarHBondContact NH1-O 3.49Å
114	C	92.4	Very high	88.3	Confident	52 Å²	52	69 Å²	69	35%	0.351	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.9	-174.4	70	0	0	0	0	114.9	C111 L116 H133	C111-C114 VanDerWaalsContact CB-SG 3.59Å; C111-C114 VanDerWaalsContact SG-SG 3.63Å; C114-L116 PolarHBondContact O-N 2.89Å; C114-H133 PolarHBondContact SG-CE1 3.42Å; C114-H133 PolarHBondContact SG-ND1 3.28Å
115	R	90.4	Very high	88.4	Confident	175 Å²	175	70.3 Å²	70.3	66%	0.66	34%	0.338	S	S	*	.			trans	59.9	-1.2	178.2	-54.2	-173	-177.9	-162.4	1.9	117	H110 C111	H110-R115 PolarHBondContact CD2-O 2.99Å; H110-R115 VanDerWaalsContact CD2-O 3.26Å; C111-R115 WeakPolarHBondContact O-CA 3.32Å; C111-R115 PolarHBondContact O-N 3.36Å
116	L	92.1	Very high	88.6	Confident	117 Å²	117	71.6 Å²	71.6	61%	0.613	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-65.3	149.5	171	-60.3	177.3	0	0	0	111.9	H110 C111 C114	H110-L116 CarbonylContact C-O 3.49Å; H110-L116 WeakPolarHBondContact CA-O 3.3Å; C111-L116 PolarHBondContact N-O 2.99Å; C114-L116 PolarHBondContact O-N 2.89Å
117	Q	92.1	Very high	88.4	Confident	123 Å²	123	69.3 Å²	69.3	58%	0.575	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-65	138.7	176.3	-167.5	-178.8	-27.8	0	0	111	K109 H110	K109-Q117 WeakPolarHBondContact O-CA 3.44Å; K109-Q117 WeakPolarHBondContact O-CG 2.97Å; H110-Q117 VanDerWaalsContact CD2-CA 3.47Å; H110-Q117 WeakPolarHBondContact CD2-CA 3.47Å; H110-Q117 PolarHBondContact CD2-N 3.01Å
118	V	90.8	Very high	88	Confident	13 Å²	13	68.5 Å²	68.5	8%	0.079	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-97.2	118.6	177.9	163.3	0	0	0	0	109.2	K109 C111 M122 V124 P131	K109-V118 PolarHBondContact O-N 2.81Å; C111-V118 HydrophobicContact CB-CG2 4.07Å; V118-M122 HydrophobicContact CB-CE 4.15Å; V118-M122 HydrophobicContact CG1-CE 3.83Å; V118-M122 HydrophobicContact CG2-CE 4.06Å; V118-V124 HydrophobicContact CG1-CG1 3.64Å; V118-V124 HydrophobicContact CG1-CG2 4.18Å; V118-V124 HydrophobicContact CG2-CG1 4.27Å; V118-P131 HydrophobicContact CB-CG 4.3Å; V118-P131 HydrophobicContact CG1-CB 4.25Å; V118-P131 HydrophobicContact CG1-CG 4.49Å; V118-P131 HydrophobicContact CG2-CB 4.15Å; V118-P131 HydrophobicContact CG2-CG 4.01Å
119	P	88.5	Confident	87.7	Confident	62 Å²	62	71.6 Å²	71.6	40%	0.403	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-59.5	149.2	171.6	-28.3	37.5	0	0	0	113.8	D121 M122	P119-D121 WeakPolarHBondContact CB-OD1 3.29Å; P119-D121 PolarHBondContact O-N 3.45Å; P119-M122 HydrophobicContact CB-CB 4.17Å; P119-M122 PolarHBondContact O-N 2.78Å
120	E	83.2	Confident	87.5	Confident	94 Å²	94	70.3 Å²	70.3	44%	0.439	34%	0.34	S	S	.	.	S	Bend	trans	-79.5	-2.4	-171.3	-59.7	-169.7	179.9	0	0	114.9	K109 R660 N663	K109-E120 IonicContact NZ-OE1 3.93Å; K109-E120 PolarHBondContact NZ-OE1 3.45Å; E120-R660 PolarHBondContact O-NH2 2.86Å; E120-N663 PolarHBondContact OE2-ND2 2.98Å
121	D	85.5	Confident	87.5	Confident	133 Å²	133	68.7 Å²	68.7	71%	0.711	33%	0.333	S	S	*	.	S	Bend	trans	-108.1	-24.1	177.2	62.6	-47.6	0	0	0	112.6	P119	P119-D121 WeakPolarHBondContact CB-OD1 3.29Å; P119-D121 PolarHBondContact O-N 3.45Å
122	M	88	Confident	87.4	Confident	69 Å²	69	68.7 Å²	68.7	34%	0.34	33%	0.333	S	S	.	.	S	Bend	trans	-72.5	135.3	-176.7	-178.9	177.6	68	0	0	112.6	V118 P119 V124 H133	V118-M122 HydrophobicContact CB-CE 4.15Å; V118-M122 HydrophobicContact CG1-CE 3.83Å; V118-M122 HydrophobicContact CG2-CE 4.06Å; P119-M122 HydrophobicContact CB-CB 4.17Å; P119-M122 PolarHBondContact O-N 2.78Å; M122-V124 HydrophobicContact CE-CG1 3.69Å; M122-V124 PolarHBondContact O-N 3.46Å; M122-H133 WeakPolarHBondContact CE-CD2 3.42Å; M122-H133 WeakPolarHBondContact CE-NE2 3.17Å
123	K	87.3	Confident	87.6	Confident	188 Å²	188	69 Å²	69	82%	0.817	33%	0.328	S	S	*	.			trans	-70.4	125.6	173.5	-66.8	-177.4	-179.6	178.4	0	110.9
124	V	90	Very high	87.6	Confident	22 Å²	22	68.2 Å²	68.2	13%	0.133	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.4	179.4	-71.1	0	0	0	0	110.8	V118 M122 K126 P131 F132	V118-V124 HydrophobicContact CG1-CG1 3.64Å; V118-V124 HydrophobicContact CG1-CG2 4.18Å; V118-V124 HydrophobicContact CG2-CG1 4.27Å; M122-V124 HydrophobicContact CE-CG1 3.69Å; M122-V124 PolarHBondContact O-N 3.46Å; V124-K126 HydrophobicContact CG2-CG 4.23Å; V124-P131 HydrophobicContact CB-CB 4.27Å; V124-P131 HydrophobicContact CG2-CB 3.89Å; V124-F132 WeakPolarHBondContact CA-O 3.42Å; V124-F132 VanDerWaalsContact CB-O 3.24Å; V124-F132 WeakPolarHBondContact CB-O 3.32Å
125	H	88.1	Confident	87.6	Confident	36 Å²	36	70.8 Å²	70.8	17%	0.167	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	148.4	161.3	-57.9	-88	0	0	0	108.2	P131 F132 F137	H125-P131 CarbonylContact O-C 3.52Å; H125-P131 WeakPolarHBondContact O-CA 3.43Å; H125-F132 PolarHBondContact N-O 2.82Å; H125-F132 PolarHBondContact O-N 2.88Å; H125-F137 HydrophobicContact CB-CB 4.33Å; H125-F137 HydrophobicContact CB-CD1 3.92Å; H125-F137 HydrophobicContact CB-CD2 3.81Å; H125-F137 HydrophobicContact CB-CE1 4.21Å; H125-F137 HydrophobicContact CB-CE2 4.09Å; H125-F137 HydrophobicContact CB-CG 3.73Å; H125-F137 HydrophobicContact CB-CZ 4.29Å; H125-F137 VanDerWaalsContact CD2-CB 3.48Å; H125-F137 WeakPolarHBondContact CD2-CB 3.39Å; H125-F137 AromaticContact CD2-CD1 3.67Å; H125-F137 AromaticContact CD2-CG 3.62Å; H125-F137 AromaticContact CE1-CD1 3.99Å; H125-F137 AromaticContact CG-CD1 3.47Å; H125-F137 VanDerWaalsContact CG-CD1 3.47Å; H125-F137 AromaticContact CG-CG 3.6Å; H125-F137 AromaticContact ND1-CD1 3.69Å; H125-F137 AromaticContact ND1-CE1 4Å
126	K	87.2	Confident	87.7	Confident	60 Å²	60	63.3 Å²	63.3	26%	0.261	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.5	169.9	-57.2	-164.3	-171.3	124.6	0	109.3	V124 V130 P131 S657 Y659	V124-K126 HydrophobicContact CG2-CG 4.23Å; K126-V130 VanDerWaalsContact CA-O 3.31Å; K126-V130 WeakPolarHBondContact CA-O 3.25Å; K126-P131 HydrophobicContact CG-CB 4.36Å; K126-S657 VanDerWaalsContact CE-OG 3.26Å; K126-S657 WeakPolarHBondContact CE-OG 3.44Å; K126-S657 VanDerWaalsContact NZ-CB 3.34Å; K126-S657 PolarHBondContact NZ-O 2.68Å; K126-S657 PolarHBondContact NZ-OG 3.15Å; K126-Y659 PolarHBondContact NZ-O 2.81Å
127	L	82	Confident	87.7	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.4	168.9	-65.3	-176.4	0	0	0	107.7	R129 V130 F132 F137 I154 V159 V652 I654	L127-R129 PolarHBondContact O-N 3.36Å; L127-R129 VanDerWaalsContact O-N 3.17Å; L127-V130 PolarHBondContact N-O 3.2Å; L127-V130 WeakPolarHBondContact O-CB 3.11Å; L127-V130 PolarHBondContact O-N 3.33Å; L127-F132 HydrophobicContact CB-CE2 4.28Å; L127-F137 HydrophobicContact CD1-CE2 3.55Å; L127-F137 HydrophobicContact CD1-CZ 3.8Å; L127-F137 HydrophobicContact CD2-CE2 4.47Å; L127-F137 HydrophobicContact CD2-CZ 4.18Å; L127-F137 HydrophobicContact CG-CE2 3.73Å; L127-F137 HydrophobicContact CG-CZ 3.94Å; L127-I154 HydrophobicContact CB-CD1 3.65Å; L127-I154 HydrophobicContact CB-CG1 4.5Å; L127-I154 HydrophobicContact CD1-CD1 4.07Å; L127-I154 HydrophobicContact CD1-CG1 4.02Å; L127-V159 HydrophobicContact CD1-CG1 3.9Å; L127-V159 HydrophobicContact CD1-CG2 4.06Å; L127-V652 HydrophobicContact CD2-CB 4.05Å; L127-V652 HydrophobicContact CD2-CG1 3.72Å; L127-I654 HydrophobicContact CD2-CG1 4.17Å
128	N	76.3	Confident	87.8	Confident	75 Å²	75	52.8 Å²	52.8	40%	0.401	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.2	49.7	-177.9	-65	-1	0	0	0	112.8	V130 I154 N650 V652	N128-V130 PolarHBondContact O-N 2.81Å; N128-I154 HydrophobicContact CB-CD1 4.43Å; N128-N650 PolarHBondContact ND2-OD1 3.42Å; N128-V652 WeakPolarHBondContact OD1-CG2 3.12Å
129	R	79.1	Confident	88	Confident	92 Å²	92	52.1 Å²	52.1	35%	0.347	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	-17.5	-174.1	-58	120.3	178.9	-76.2	-19.7	116.8	E79 Y94 Y108 L127	E79-R129 IonicContact OE1-CZ 3.53Å; E79-R129 IonicContact OE1-NE 3.47Å; E79-R129 IonicContact OE1-NH1 2.65Å; E79-R129 PolarHBondContact OE1-NH1 3.14Å; Y94-R129 PolarHBondContact OH-NH1 2.96Å; Y94-R129 VanDerWaalsContact OH-NH1 3.14Å; Y94-R129 PolarHBondContact OH-NH2 3.25Å; Y108-R129 HydrophobicContact CD1-CB 3.48Å; Y108-R129 VanDerWaalsContact CD1-CB 3.48Å; Y108-R129 HydrophobicContact CE1-CB 3.55Å; Y108-R129 HydrophobicContact CG-CB 4.27Å; L127-R129 PolarHBondContact O-N 3.36Å; L127-R129 VanDerWaalsContact O-N 3.17Å
130	V	85	Confident	88.2	Confident	13 Å²	13	54.4 Å²	54.4	8%	0.079	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	125.7	177.7	-172.8	0	0	0	0	110.2	K107 K126 L127 N128 F132	K107-V130 HydrophobicContact CD-CG2 4.34Å; K107-V130 HydrophobicContact CG-CG2 4.14Å; K126-V130 VanDerWaalsContact CA-O 3.31Å; K126-V130 WeakPolarHBondContact CA-O 3.25Å; L127-V130 PolarHBondContact N-O 3.2Å; L127-V130 WeakPolarHBondContact O-CB 3.11Å; L127-V130 PolarHBondContact O-N 3.33Å; N128-V130 PolarHBondContact O-N 2.81Å; V130-F132 HydrophobicContact CB-CE2 4.04Å; V130-F132 HydrophobicContact CG1-CE2 3.93Å; V130-F132 HydrophobicContact CG1-CZ 4.15Å; V130-F132 WeakPolarHBondContact O-CD2 3.24Å
131	P	89.6	Confident	88.6	Confident	1 Å²	1	55 Å²	55	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	155.2	176.3	33.8	-35.2	0	0	0	112.2	H110 C111 G112 V118 V124 H125 K126	H110-P131 WeakPolarHBondContact O-CD 3.1Å; H110-P131 WeakPolarHBondContact O-CG 3.29Å; C111-P131 CarbonylContact C-O 3.59Å; C111-P131 VanDerWaalsContact CA-O 3.26Å; C111-P131 WeakPolarHBondContact CA-O 3.38Å; G112-P131 PolarHBondContact N-O 3.31Å; V118-P131 HydrophobicContact CB-CG 4.3Å; V118-P131 HydrophobicContact CG1-CB 4.25Å; V118-P131 HydrophobicContact CG1-CG 4.49Å; V118-P131 HydrophobicContact CG2-CB 4.15Å; V118-P131 HydrophobicContact CG2-CG 4.01Å; V124-P131 HydrophobicContact CB-CB 4.27Å; V124-P131 HydrophobicContact CG2-CB 3.89Å; H125-P131 CarbonylContact O-C 3.52Å; H125-P131 WeakPolarHBondContact O-CA 3.43Å; K126-P131 HydrophobicContact CG-CB 4.36Å
132	F	90.5	Very high	89.1	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.013	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.2	172.8	-65.7	-98.2	0	0	0	109.4	R113 V124 H125 L127 V130 F137 V159	R113-F132 HydrophobicContact CB-CD1 4.18Å; R113-F132 HydrophobicContact CB-CE1 4.26Å; V124-F132 WeakPolarHBondContact CA-O 3.42Å; V124-F132 VanDerWaalsContact CB-O 3.24Å; V124-F132 WeakPolarHBondContact CB-O 3.32Å; H125-F132 PolarHBondContact N-O 2.82Å; H125-F132 PolarHBondContact O-N 2.88Å; L127-F132 HydrophobicContact CB-CE2 4.28Å; V130-F132 HydrophobicContact CB-CE2 4.04Å; V130-F132 HydrophobicContact CG1-CE2 3.93Å; V130-F132 HydrophobicContact CG1-CZ 4.15Å; V130-F132 WeakPolarHBondContact O-CD2 3.24Å; F132-F137 HydrophobicContact CB-CB 4.25Å; F132-F137 HydrophobicContact CB-CD2 3.71Å; F132-F137 HydrophobicContact CB-CG 4.39Å; F132-F137 HydrophobicContact CD1-CD2 4.41Å; F132-F137 HydrophobicContact CD2-CD2 4.21Å; F132-F137 HydrophobicContact CD2-CE2 4.37Å; F132-F137 AromaticContact CG-CD2 3.87Å; F132-F137 HydrophobicContact CG-CD2 3.87Å; F132-F137 HydrophobicContact CG-CE2 4.46Å; F132-V159 HydrophobicContact CD1-CG2 4.2Å; F132-V159 HydrophobicContact CE1-CG2 3.51Å; F132-V159 HydrophobicContact CE2-CG2 4.14Å; F132-V159 HydrophobicContact CZ-CG2 3.48Å; F132-V159 VanDerWaalsContact CZ-CG2 3.48Å
133	H	92	Very high	89.4	Confident	29 Å²	29	50.4 Å²	50.4	13%	0.134	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	146.9	165.8	-56.3	99.8	0	0	0	109.3	C111 C114 M122 T135 C136 F137	C111-H133 VanDerWaalsContact CB-CE1 3.42Å; C111-H133 WeakPolarHBondContact CB-CE1 3.26Å; C111-H133 VanDerWaalsContact CB-ND1 3.32Å; C111-H133 WeakPolarHBondContact CB-ND1 3.35Å; C111-H133 PolarHBondContact SG-ND1 2.85Å; C111-H133 VanDerWaalsContact SG-ND1 3.36Å; C114-H133 PolarHBondContact SG-CE1 3.42Å; C114-H133 PolarHBondContact SG-ND1 3.28Å; M122-H133 WeakPolarHBondContact CE-CD2 3.42Å; M122-H133 WeakPolarHBondContact CE-NE2 3.17Å; H133-T135 VanDerWaalsContact C-N 3.28Å; H133-T135 PolarHBondContact O-N 3.43Å; H133-C136 HydrophobicContact CB-CB 3.82Å; H133-C136 CarbonylContact O-C 3.59Å; H133-C136 WeakPolarHBondContact O-CA 3.37Å; H133-C136 WeakPolarHBondContact O-CB 3.4Å; H133-C136 PolarHBondContact O-N 2.97Å; H133-F137 PolarHBondContact O-N 2.97Å
134	T	90.1	Very high	89.6	Confident	73 Å²	73	46 Å²	46	45%	0.448	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-49.7	-50.4	175.3	48.7	0	0	0	0	111.4	C136 F137 Q145	T134-C136 VanDerWaalsContact C-N 3.28Å; T134-C136 PolarHBondContact O-N 3.13Å; T134-F137 PolarHBondContact O-N 3.13Å; T134-F137 VanDerWaalsContact O-N 3.1Å; T134-Q145 PolarHBondContact O-NE2 2.93Å; T134-Q145 PolarHBondContact O-OE1 3.08Å
135	T	92.2	Very high	89.8	Confident	106 Å²	106	47.7 Å²	47.7	65%	0.65	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-64.7	-24.4	175.2	55.6	0	0	0	0	114.8	H133	H133-T135 VanDerWaalsContact C-N 3.28Å; H133-T135 PolarHBondContact O-N 3.43Å
136	C	92.8	Very high	89.9	Confident	18 Å²	18	46 Å²	46	12%	0.122	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-86.6	-10.5	175.5	-73.1	0	0	0	0	112.9	R113 H133 T134 T138	R113-C136 HydrophobicContact CB-CB 4.11Å; R113-C136 WeakPolarHBondContact CD-O 3.22Å; H133-C136 HydrophobicContact CB-CB 3.82Å; H133-C136 CarbonylContact O-C 3.59Å; H133-C136 WeakPolarHBondContact O-CA 3.37Å; H133-C136 WeakPolarHBondContact O-CB 3.4Å; H133-C136 PolarHBondContact O-N 2.97Å; T134-C136 VanDerWaalsContact C-N 3.28Å; T134-C136 PolarHBondContact O-N 3.13Å; C136-T138 PolarHBondContact O-N 2.9Å
137	F	92.3	Very high	89.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.			trans	-86.3	50.9	-176.9	-158.7	-114.4	0	0	0	111.7	H125 L127 F132 H133 T134 Q145 L146 V159 I654	H125-F137 HydrophobicContact CB-CB 4.33Å; H125-F137 HydrophobicContact CB-CD1 3.92Å; H125-F137 HydrophobicContact CB-CD2 3.81Å; H125-F137 HydrophobicContact CB-CE1 4.21Å; H125-F137 HydrophobicContact CB-CE2 4.09Å; H125-F137 HydrophobicContact CB-CG 3.73Å; H125-F137 HydrophobicContact CB-CZ 4.29Å; H125-F137 VanDerWaalsContact CD2-CB 3.48Å; H125-F137 WeakPolarHBondContact CD2-CB 3.39Å; H125-F137 AromaticContact CD2-CD1 3.67Å; H125-F137 AromaticContact CD2-CG 3.62Å; H125-F137 AromaticContact CE1-CD1 3.99Å; H125-F137 AromaticContact CG-CD1 3.47Å; H125-F137 VanDerWaalsContact CG-CD1 3.47Å; H125-F137 AromaticContact CG-CG 3.6Å; H125-F137 AromaticContact ND1-CD1 3.69Å; H125-F137 AromaticContact ND1-CE1 4Å; L127-F137 HydrophobicContact CD1-CE2 3.55Å; L127-F137 HydrophobicContact CD1-CZ 3.8Å; L127-F137 HydrophobicContact CD2-CE2 4.47Å; L127-F137 HydrophobicContact CD2-CZ 4.18Å; L127-F137 HydrophobicContact CG-CE2 3.73Å; L127-F137 HydrophobicContact CG-CZ 3.94Å; F132-F137 HydrophobicContact CB-CB 4.25Å; F132-F137 HydrophobicContact CB-CD2 3.71Å; F132-F137 HydrophobicContact CB-CG 4.39Å; F132-F137 HydrophobicContact CD1-CD2 4.41Å; F132-F137 HydrophobicContact CD2-CD2 4.21Å; F132-F137 HydrophobicContact CD2-CE2 4.37Å; F132-F137 AromaticContact CG-CD2 3.87Å; F132-F137 HydrophobicContact CG-CD2 3.87Å; F132-F137 HydrophobicContact CG-CE2 4.46Å; H133-F137 PolarHBondContact O-N 2.97Å; T134-F137 PolarHBondContact O-N 3.13Å; T134-F137 VanDerWaalsContact O-N 3.1Å; F137-Q145 PolarHBondContact O-NE2 3.21Å; F137-Q145 VanDerWaalsContact O-NE2 3.14Å; F137-L146 HydrophobicContact CD1-CB 3.67Å; F137-L146 HydrophobicContact CE1-CB 3.59Å; F137-L146 HydrophobicContact CE1-CD1 4.29Å; F137-L146 HydrophobicContact CZ-CB 4.47Å; F137-L146 HydrophobicContact CZ-CD1 4.4Å; F137-L146 WeakPolarHBondContact O-CB 3.32Å; F137-L146 PolarHBondContact O-N 3.16Å; F137-V159 HydrophobicContact CE2-CG1 4.06Å; F137-V159 HydrophobicContact CE2-CG2 4.38Å; F137-V159 HydrophobicContact CZ-CG1 4.42Å; F137-I654 HydrophobicContact CE1-CD1 3.62Å; F137-I654 HydrophobicContact CE1-CG1 4.05Å; F137-I654 HydrophobicContact CZ-CD1 4.02Å; F137-I654 HydrophobicContact CZ-CG1 4.03Å
138	T	94.2	Very high	89.8	Confident	19 Å²	19	54.2 Å²	54.2	12%	0.117	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-106.3	149.3	178.4	42.6	0	0	0	0	109.7	R113 C136 F140 G143 R144 Q145	R113-T138 VanDerWaalsContact CZ-OG1 3.24Å; R113-T138 PolarHBondContact NH1-O 3.08Å; R113-T138 PolarHBondContact NH1-OG1 3.17Å; C136-T138 PolarHBondContact O-N 2.9Å; T138-F140 PolarHBondContact O-N 2.77Å; T138-G143 WeakPolarHBondContact CB-O 3.39Å; T138-G143 VanDerWaalsContact CG2-O 3.29Å; T138-G143 WeakPolarHBondContact CG2-O 3.2Å; T138-R144 CarbonylContact C-O 3.45Å; T138-R144 VanDerWaalsContact CA-O 3.29Å; T138-R144 WeakPolarHBondContact CA-O 3.36Å; T138-Q145 HydrophobicContact CG2-CB 4.27Å
139	C	95	Very high	90.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.			trans	-59	134.1	169	178.4	0	0	0	0	110	R113 G143 R144 V159 C161	R113-C139 PolarHBondContact NH1-O 3.49Å; C139-G143 VanDerWaalsContact O-CA 3.25Å; C139-G143 WeakPolarHBondContact O-CA 3.44Å; C139-G143 PolarHBondContact O-N 3.33Å; C139-R144 PolarHBondContact N-O 3.25Å; C139-V159 CarbonylContact C-O 3.6Å; C139-V159 WeakPolarHBondContact CA-O 3.45Å; C139-C161 HydrophobicContact CB-CB 4.28Å; C139-C161 PolarHBondContact SG-N 2.95Å; C139-C161 VanDerWaalsContact SG-N 3.36Å
140	F	92.1	Very high	90.5	Very high	110 Å²	110	51.2 Å²	51.2	48%	0.482	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-44.9	177	-172.9	-88.9	0	0	0	111.9	T138 D158 V159 L160	T138-F140 PolarHBondContact O-N 2.77Å; F140-D158 HydrophobicContact CB-CB 3.97Å; F140-D158 HydrophobicContact CD2-CB 4.09Å; F140-D158 VanDerWaalsContact CD2-CG 3.46Å; F140-D158 WeakPolarHBondContact CD2-OD1 3.4Å; F140-D158 WeakPolarHBondContact CE2-OD1 3.47Å; F140-D158 HydrophobicContact CG-CB 4.02Å; F140-V159 PolarHBondContact N-O 3.39Å; F140-L160 HydrophobicContact CB-CD2 3.99Å
141	Q	92.1	Very high	90.7	Very high	106 Å²	106	56.7 Å²	56.7	50%	0.495	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-32	-172.6	-172.8	64.2	44.4	0	0	114.6	L160 H164	Q141-L160 HydrophobicContact CB-CD2 3.84Å; Q141-H164 HydrophobicContact CB-CB 3.93Å; Q141-H164 HydrophobicContact CG-CB 4.16Å; Q141-H164 WeakPolarHBondContact CG-CD2 3.14Å
142	C	95.2	Very high	90.7	Very high	63 Å²	63	56.7 Å²	56.7	43%	0.426	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	4.5	-175.4	67.8	0	0	0	0	115.2	R144 H164	C142-R144 PolarHBondContact O-N 3.23Å; C142-H164 VanDerWaalsContact SG-CE1 3.59Å
143	G	93.4	Very high	90.4	Very high	43 Å²	43	56.6 Å²	56.6	44%	0.443	31%	0.309	S	S	.	.			trans	68.2	-7.7	179.7	0	0	0	0	0	116.1	T138 C139 Q145	T138-G143 WeakPolarHBondContact CB-O 3.39Å; T138-G143 VanDerWaalsContact CG2-O 3.29Å; T138-G143 WeakPolarHBondContact CG2-O 3.2Å; C139-G143 VanDerWaalsContact O-CA 3.25Å; C139-G143 WeakPolarHBondContact O-CA 3.44Å; C139-G143 PolarHBondContact O-N 3.33Å; G143-Q145 PolarHBondContact O-N 3.2Å
144	R	93.3	Very high	90.2	Very high	95 Å²	95	56.1 Å²	56.1	36%	0.358	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-55.1	125	-177.6	-177.5	172.1	84	78.9	-23.5	111.6	T138 C139 C142 L146 D150	T138-R144 CarbonylContact C-O 3.45Å; T138-R144 VanDerWaalsContact CA-O 3.29Å; T138-R144 WeakPolarHBondContact CA-O 3.36Å; C139-R144 PolarHBondContact N-O 3.25Å; C142-R144 PolarHBondContact O-N 3.23Å; R144-L146 PolarHBondContact O-N 3.5Å; R144-D150 IonicContact CZ-OD1 2.8Å; R144-D150 IonicContact CZ-OD2 3.48Å; R144-D150 VanDerWaalsContact NH1-CG 3.31Å; R144-D150 IonicContact NH1-OD1 3.23Å; R144-D150 PolarHBondContact NH1-OD1 3.42Å; R144-D150 IonicContact NH1-OD2 2.76Å; R144-D150 PolarHBondContact NH1-OD2 3.01Å; R144-D150 IonicContact NH2-OD1 3.25Å; R144-D150 PolarHBondContact NH2-OD1 3.1Å; R144-D150 IonicContact NH2-OD2 3.85Å
145	Q	93.6	Very high	89.7	Confident	58 Å²	58	54.4 Å²	54.4	27%	0.271	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-60.3	128.1	169	-177.2	65	54.1	0	0	110.3	T134 F137 T138 G143 H147	T134-Q145 PolarHBondContact O-NE2 2.93Å; T134-Q145 PolarHBondContact O-OE1 3.08Å; F137-Q145 PolarHBondContact O-NE2 3.21Å; F137-Q145 VanDerWaalsContact O-NE2 3.14Å; T138-Q145 HydrophobicContact CG2-CB 4.27Å; G143-Q145 PolarHBondContact O-N 3.2Å; Q145-H147 VanDerWaalsContact CG-CE1 3.46Å; Q145-H147 WeakPolarHBondContact CG-CE1 3.48Å
146	L	90.2	Very high	89	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-96.6	143.2	175.4	-54.5	171.3	0	0	0	109	F137 R144 D150 C152 V159 C161	F137-L146 HydrophobicContact CD1-CB 3.67Å; F137-L146 HydrophobicContact CE1-CB 3.59Å; F137-L146 HydrophobicContact CE1-CD1 4.29Å; F137-L146 HydrophobicContact CZ-CB 4.47Å; F137-L146 HydrophobicContact CZ-CD1 4.4Å; F137-L146 WeakPolarHBondContact O-CB 3.32Å; F137-L146 PolarHBondContact O-N 3.16Å; R144-L146 PolarHBondContact O-N 3.5Å; L146-D150 WeakPolarHBondContact CA-OD2 3.36Å; L146-D150 HydrophobicContact CB-CB 4.36Å; L146-D150 HydrophobicContact CD2-CB 4.33Å; L146-C152 HydrophobicContact CD1-CB 3.81Å; L146-V159 HydrophobicContact CD1-CG1 3.57Å; L146-C161 HydrophobicContact CD2-CB 3.9Å
147	H	84.8	Confident	88.1	Confident	112 Å²	112	57.4 Å²	57.4	52%	0.519	31%	0.305	S	S	.	.			trans	-125.1	167.2	-177.9	-60.9	90.1	0	0	0	111	Q145 G149 D150 I654	Q145-H147 VanDerWaalsContact CG-CE1 3.46Å; Q145-H147 WeakPolarHBondContact CG-CE1 3.48Å; H147-G149 PolarHBondContact O-N 2.99Å; H147-D150 PolarHBondContact N-OD2 3.36Å; H147-D150 VanDerWaalsContact O-CB 3.32Å; H147-D150 WeakPolarHBondContact O-CB 3.49Å; H147-D150 PolarHBondContact O-N 2.92Å; H147-I654 WeakPolarHBondContact O-CD1 3.21Å
148	Q	82.5	Confident	87.8	Confident	123 Å²	123	60 Å²	60	58%	0.575	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	128.8	175.1	-175.5	172.4	-3.3	0	0	110.2
149	G	81.1	Confident	87.6	Confident	67 Å²	67	59.3 Å²	59.3	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-14.8	-171.9	0	0	0	0	0	115	H147 K151	H147-G149 PolarHBondContact O-N 2.99Å; G149-K151 PolarHBondContact O-N 3.11Å
150	D	88.2	Confident	87.4	Confident	36 Å²	36	59.5 Å²	59.5	19%	0.193	32%	0.316	C	S	.	.			trans	-66.5	128.2	170.7	-91.6	-51.6	0	0	0	111.2	R144 L146 H147 C152 I654	R144-D150 IonicContact CZ-OD1 2.8Å; R144-D150 IonicContact CZ-OD2 3.48Å; R144-D150 VanDerWaalsContact NH1-CG 3.31Å; R144-D150 IonicContact NH1-OD1 3.23Å; R144-D150 PolarHBondContact NH1-OD1 3.42Å; R144-D150 IonicContact NH1-OD2 2.76Å; R144-D150 PolarHBondContact NH1-OD2 3.01Å; R144-D150 IonicContact NH2-OD1 3.25Å; R144-D150 PolarHBondContact NH2-OD1 3.1Å; R144-D150 IonicContact NH2-OD2 3.85Å; L146-D150 WeakPolarHBondContact CA-OD2 3.36Å; L146-D150 HydrophobicContact CB-CB 4.36Å; L146-D150 HydrophobicContact CD2-CB 4.33Å; H147-D150 PolarHBondContact N-OD2 3.36Å; H147-D150 VanDerWaalsContact O-CB 3.32Å; H147-D150 WeakPolarHBondContact O-CB 3.49Å; H147-D150 PolarHBondContact O-N 2.92Å; D150-C152 PolarHBondContact O-N 3.13Å; D150-I654 HydrophobicContact CB-CD1 4.3Å; D150-I654 WeakPolarHBondContact O-CD1 3.5Å
151	K	88.6	Confident	87.5	Confident	128 Å²	128	54.3 Å²	54.3	56%	0.557	29%	0.293	S	S	*	.			trans	-69.5	122.2	165.5	-69.7	-177.3	-179.6	179.5	0	109.4	G149 Y162	G149-K151 PolarHBondContact O-N 3.11Å; K151-Y162 HydrophobicContact CB-CD2 3.86Å; K151-Y162 HydrophobicContact CB-CG 4.12Å; K151-Y162 HydrophobicContact CD-CD2 3.99Å; K151-Y162 HydrophobicContact CD-CE2 4.19Å; K151-Y162 WeakPolarHBondContact O-CB 3.43Å; K151-Y162 PolarHBondContact O-N 3.05Å
152	C	89.7	Confident	87.4	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161.6	177.1	61.3	0	0	0	0	110.4	L146 D150 V159 L160 M651	L146-C152 HydrophobicContact CD1-CB 3.81Å; D150-C152 PolarHBondContact O-N 3.13Å; C152-V159 HydrophobicContact CB-CG1 4.25Å; C152-L160 CarbonylContact C-O 3.47Å; C152-L160 WeakPolarHBondContact CA-O 3.48Å; C152-L160 VanDerWaalsContact CB-O 3.22Å; C152-L160 WeakPolarHBondContact CB-O 3.16Å; C152-M651 WeakPolarHBondContact O-CE 3.5Å
153	G	85.8	Confident	87.1	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.9	175.6	0	0	0	0	0	112.3	L160 Y165 N650	G153-L160 PolarHBondContact N-O 2.91Å; G153-L160 PolarHBondContact O-N 3.41Å; G153-Y165 VanDerWaalsContact C-CD2 3.48Å; G153-N650 WeakPolarHBondContact CA-O 3.38Å
154	I	86.7	Confident	87.1	Confident	20 Å²	20	57.7 Å²	57.7	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.7	-179.4	-66.4	170.1	0	0	0	110.5	L127 N128 D158 V159 Y165 N650	L127-I154 HydrophobicContact CB-CD1 3.65Å; L127-I154 HydrophobicContact CB-CG1 4.5Å; L127-I154 HydrophobicContact CD1-CD1 4.07Å; L127-I154 HydrophobicContact CD1-CG1 4.02Å; N128-I154 HydrophobicContact CB-CD1 4.43Å; I154-D158 WeakPolarHBondContact CA-O 3.23Å; I154-V159 HydrophobicContact CG1-CG2 4.46Å; I154-Y165 WeakPolarHBondContact O-CE2 3.37Å; I154-N650 PolarHBondContact O-ND2 3.44Å
155	F	80.7	Confident	86.9	Confident	36 Å²	36	53.9 Å²	53.9	16%	0.158	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.1	176.9	-166.7	-89.6	0	0	0	108.5	N157 D158 L160 Y165 K168 W172	F155-N157 PolarHBondContact O-N 2.9Å; F155-N157 VanDerWaalsContact O-N 3.14Å; F155-D158 PolarHBondContact N-O 3.05Å; F155-D158 PolarHBondContact O-N 2.57Å; F155-L160 HydrophobicContact CB-CD1 3.81Å; F155-L160 HydrophobicContact CG-CD1 4.41Å; F155-Y165 HydrophobicContact CB-CE2 4.49Å; F155-K168 HydrophobicContact CD2-CB 4.19Å; F155-K168 HydrophobicContact CE1-CB 4.45Å; F155-K168 HydrophobicContact CE1-CD 4.37Å; F155-K168 HydrophobicContact CE2-CB 4.06Å; F155-K168 HydrophobicContact CG-CB 4.43Å; F155-K168 HydrophobicContact CZ-CB 4.18Å; F155-W172 HydrophobicContact CE1-CE3 4.41Å; F155-W172 HydrophobicContact CE2-CB 4.44Å; F155-W172 HydrophobicContact CE2-CD2 4.34Å; F155-W172 AromaticContact CE2-CE3 3.91Å; F155-W172 HydrophobicContact CE2-CE3 3.91Å; F155-W172 HydrophobicContact CE2-CZ3 4.3Å; F155-W172 HydrophobicContact CZ-CB 4.41Å; F155-W172 HydrophobicContact CZ-CD2 4.25Å; F155-W172 AromaticContact CZ-CE3 3.47Å; F155-W172 HydrophobicContact CZ-CE3 3.47Å; F155-W172 VanDerWaalsContact CZ-CE3 3.47Å; F155-W172 AromaticContact CZ-CZ3 3.9Å; F155-W172 HydrophobicContact CZ-CZ3 3.9Å
156	N	77.5	Confident	86.6	Confident	100 Å²	100	53.4 Å²	53.4	54%	0.535	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	30.1	-175.9	-62.5	-8.5	0	0	0	115.7	D158	N156-D158 VanDerWaalsContact C-N 3.31Å
157	N	73.7	Confident	86.4	Confident	87 Å²	87	57.1 Å²	57.1	47%	0.465	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-10.7	-170.3	-48.3	-89.9	0	0	0	115.9	K107 F155	K107-N157 PolarHBondContact NZ-OD1 2.82Å; F155-N157 PolarHBondContact O-N 2.9Å; F155-N157 VanDerWaalsContact O-N 3.14Å
158	D	84.7	Confident	86.3	Confident	54 Å²	54	55.6 Å²	55.6	29%	0.289	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	143	173.6	-73.1	-54.3	0	0	0	112	F140 I154 F155 N156	F140-D158 HydrophobicContact CB-CB 3.97Å; F140-D158 HydrophobicContact CD2-CB 4.09Å; F140-D158 VanDerWaalsContact CD2-CG 3.46Å; F140-D158 WeakPolarHBondContact CD2-OD1 3.4Å; F140-D158 WeakPolarHBondContact CE2-OD1 3.47Å; F140-D158 HydrophobicContact CG-CB 4.02Å; I154-D158 WeakPolarHBondContact CA-O 3.23Å; F155-D158 PolarHBondContact N-O 3.05Å; F155-D158 PolarHBondContact O-N 2.57Å; N156-D158 VanDerWaalsContact C-N 3.31Å
159	V	90.2	Very high	86.2	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.9	178.5	-172.9	0	0	0	0	109.8	L127 F132 F137 C139 F140 L146 C152 I154	L127-V159 HydrophobicContact CD1-CG1 3.9Å; L127-V159 HydrophobicContact CD1-CG2 4.06Å; F132-V159 HydrophobicContact CD1-CG2 4.2Å; F132-V159 HydrophobicContact CE1-CG2 3.51Å; F132-V159 HydrophobicContact CE2-CG2 4.14Å; F132-V159 HydrophobicContact CZ-CG2 3.48Å; F132-V159 VanDerWaalsContact CZ-CG2 3.48Å; F137-V159 HydrophobicContact CE2-CG1 4.06Å; F137-V159 HydrophobicContact CE2-CG2 4.38Å; F137-V159 HydrophobicContact CZ-CG1 4.42Å; C139-V159 CarbonylContact C-O 3.6Å; C139-V159 WeakPolarHBondContact CA-O 3.45Å; F140-V159 PolarHBondContact N-O 3.39Å; L146-V159 HydrophobicContact CD1-CG1 3.57Å; C152-V159 HydrophobicContact CB-CG1 4.25Å; I154-V159 HydrophobicContact CG1-CG2 4.46Å
160	L	91.4	Very high	86.1	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.1	177.9	-63.2	175.1	0	0	0	110.4	F140 Q141 C152 G153 F155 H164 K168	F140-L160 HydrophobicContact CB-CD2 3.99Å; Q141-L160 HydrophobicContact CB-CD2 3.84Å; C152-L160 CarbonylContact C-O 3.47Å; C152-L160 WeakPolarHBondContact CA-O 3.48Å; C152-L160 VanDerWaalsContact CB-O 3.22Å; C152-L160 WeakPolarHBondContact CB-O 3.16Å; G153-L160 PolarHBondContact N-O 2.91Å; G153-L160 PolarHBondContact O-N 3.41Å; F155-L160 HydrophobicContact CB-CD1 3.81Å; F155-L160 HydrophobicContact CG-CD1 4.41Å; L160-H164 HydrophobicContact CB-CB 4.4Å; L160-H164 HydrophobicContact CD2-CB 4.3Å; L160-K168 HydrophobicContact CD1-CB 4.15Å; L160-K168 HydrophobicContact CD1-CG 3.82Å
161	C	93.6	Very high	85.6	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	157.5	164.4	68.2	0	0	0	0	109.9	C139 L146 E163 H164 Y165	C139-C161 HydrophobicContact CB-CB 4.28Å; C139-C161 PolarHBondContact SG-N 2.95Å; C139-C161 VanDerWaalsContact SG-N 3.36Å; L146-C161 HydrophobicContact CD2-CB 3.9Å; C161-E163 VanDerWaalsContact C-N 3.28Å; C161-E163 PolarHBondContact O-N 2.84Å; C161-E163 VanDerWaalsContact O-N 3.13Å; C161-H164 PolarHBondContact O-N 3.42Å; C161-H164 VanDerWaalsContact O-N 3.13Å; C161-H164 PolarHBondContact SG-ND1 3.42Å; C161-Y165 WeakPolarHBondContact O-CB 3.42Å; C161-Y165 PolarHBondContact O-N 3.28Å
162	Y	89.4	Confident	84.5	Confident	106 Å²	106	48 Å²	48	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-43.5	-48.4	-179.1	-175.9	-99.2	0	0	0	114.4	K151 Y165 M166 M651	K151-Y162 HydrophobicContact CB-CD2 3.86Å; K151-Y162 HydrophobicContact CB-CG 4.12Å; K151-Y162 HydrophobicContact CD-CD2 3.99Å; K151-Y162 HydrophobicContact CD-CE2 4.19Å; K151-Y162 WeakPolarHBondContact O-CB 3.43Å; K151-Y162 PolarHBondContact O-N 3.05Å; Y162-Y165 PolarHBondContact O-N 2.92Å; Y162-M166 HydrophobicContact CD2-CE 4.04Å; Y162-M166 HydrophobicContact CD2-CG 4.47Å; Y162-M166 HydrophobicContact CE1-CG 4.23Å; Y162-M166 HydrophobicContact CE2-CE 3.47Å; Y162-M166 VanDerWaalsContact CE2-CE 3.47Å; Y162-M166 HydrophobicContact CE2-CG 4.22Å; Y162-M166 WeakPolarHBondContact O-CB 3.39Å; Y162-M166 WeakPolarHBondContact O-CG 3.26Å; Y162-M166 PolarHBondContact O-N 2.82Å; Y162-M651 HydrophobicContact CD2-SD 4.11Å; Y162-M651 HydrophobicContact CE2-SD 4.22Å
163	E	89.7	Confident	83.4	Confident	123 Å²	123	53.6 Å²	53.6	58%	0.575	27%	0.266	S	S	*	.	H	α-helix	trans	-59.2	-52.4	-178.9	-59.2	156.5	144.8	0	0	111.9	C161 M166 S167	C161-E163 VanDerWaalsContact C-N 3.28Å; C161-E163 PolarHBondContact O-N 2.84Å; C161-E163 VanDerWaalsContact O-N 3.13Å; E163-M166 PolarHBondContact O-N 2.85Å; E163-S167 WeakPolarHBondContact O-CB 3.45Å; E163-S167 PolarHBondContact O-N 3.11Å
164	H	93.2	Very high	82.6	Confident	53 Å²	53	57.9 Å²	57.9	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-73.3	-29.8	-179.7	-67	111.2	0	0	0	112.7	Q141 C142 L160 C161 K168	Q141-H164 HydrophobicContact CB-CB 3.93Å; Q141-H164 HydrophobicContact CG-CB 4.16Å; Q141-H164 WeakPolarHBondContact CG-CD2 3.14Å; C142-H164 VanDerWaalsContact SG-CE1 3.59Å; L160-H164 HydrophobicContact CB-CB 4.4Å; L160-H164 HydrophobicContact CD2-CB 4.3Å; C161-H164 PolarHBondContact O-N 3.42Å; C161-H164 VanDerWaalsContact O-N 3.13Å; C161-H164 PolarHBondContact SG-ND1 3.42Å; H164-K168 WeakPolarHBondContact O-CB 3.36Å; H164-K168 WeakPolarHBondContact O-CG 3.5Å; H164-K168 PolarHBondContact O-N 3.33Å
165	Y	90.2	Very high	81.1	Confident	16 Å²	16	63.3 Å²	63.3	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-48.2	171.9	-178.1	-92	0	0	0	110.9	G153 I154 F155 C161 Y162 K168 L169 N650 M651	G153-Y165 VanDerWaalsContact C-CD2 3.48Å; I154-Y165 WeakPolarHBondContact O-CE2 3.37Å; F155-Y165 HydrophobicContact CB-CE2 4.49Å; C161-Y165 WeakPolarHBondContact O-CB 3.42Å; C161-Y165 PolarHBondContact O-N 3.28Å; Y162-Y165 PolarHBondContact O-N 2.92Å; Y165-K168 PolarHBondContact O-N 3.06Å; Y165-L169 HydrophobicContact CE1-CB 4.47Å; Y165-L169 HydrophobicContact CE1-CD2 4.11Å; Y165-L169 WeakPolarHBondContact O-CB 3.44Å; Y165-L169 PolarHBondContact O-N 3.06Å; Y165-N650 HydrophobicContact CE2-CB 4.43Å; Y165-M651 HydrophobicContact CD1-CE 3.41Å; Y165-M651 VanDerWaalsContact CD1-CE 3.41Å; Y165-M651 HydrophobicContact CE1-CE 3.64Å; Y165-M651 HydrophobicContact CG-CE 3.9Å
166	M	86.5	Confident	79.6	Confident	48 Å²	48	65.4 Å²	65.4	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-42.6	178	-66.5	-56	169.9	0	0	111.4	Y162 E163 K168 L169 L170 M651	Y162-M166 HydrophobicContact CD2-CE 4.04Å; Y162-M166 HydrophobicContact CD2-CG 4.47Å; Y162-M166 HydrophobicContact CE1-CG 4.23Å; Y162-M166 HydrophobicContact CE2-CE 3.47Å; Y162-M166 VanDerWaalsContact CE2-CE 3.47Å; Y162-M166 HydrophobicContact CE2-CG 4.22Å; Y162-M166 WeakPolarHBondContact O-CB 3.39Å; Y162-M166 WeakPolarHBondContact O-CG 3.26Å; Y162-M166 PolarHBondContact O-N 2.82Å; E163-M166 PolarHBondContact O-N 2.85Å; M166-K168 VanDerWaalsContact C-N 3.33Å; M166-K168 PolarHBondContact O-N 3.06Å; M166-L169 PolarHBondContact O-N 2.92Å; M166-L169 HydrophobicContact SD-CD2 4Å; M166-L170 HydrophobicContact CB-CD1 4.48Å; M166-L170 WeakPolarHBondContact O-CD1 3.32Å; M166-L170 PolarHBondContact O-N 3Å; M166-M651 HydrophobicContact CE-CE 4.25Å; M166-M651 HydrophobicContact CE-CG 4.44Å; M166-M651 HydrophobicContact CE-SD 3.71Å
167	S	86.4	Confident	78	Confident	77 Å²	77	65.9 Å²	65.9	54%	0.538	34%	0.336	S	S	.	.	H	α-helix	trans	-55.5	-44.6	172.7	178.2	0	0	0	0	112.5	E163 S171	E163-S167 WeakPolarHBondContact O-CB 3.45Å; E163-S167 PolarHBondContact O-N 3.11Å; S167-S171 VanDerWaalsContact O-CB 3.25Å; S167-S171 WeakPolarHBondContact O-CB 3.31Å; S167-S171 PolarHBondContact O-N 2.61Å
168	K	82.3	Confident	76.4	Confident	81 Å²	81	65 Å²	65	35%	0.352	33%	0.331	S	S	.	.	H	α-helix	trans	-67.5	-41.8	174.8	-77.2	-69.7	-174.7	-177.6	0	113	F155 L160 H164 Y165 M166 L170 S171 W172	F155-K168 HydrophobicContact CD2-CB 4.19Å; F155-K168 HydrophobicContact CE1-CB 4.45Å; F155-K168 HydrophobicContact CE1-CD 4.37Å; F155-K168 HydrophobicContact CE2-CB 4.06Å; F155-K168 HydrophobicContact CG-CB 4.43Å; F155-K168 HydrophobicContact CZ-CB 4.18Å; L160-K168 HydrophobicContact CD1-CB 4.15Å; L160-K168 HydrophobicContact CD1-CG 3.82Å; H164-K168 WeakPolarHBondContact O-CB 3.36Å; H164-K168 WeakPolarHBondContact O-CG 3.5Å; H164-K168 PolarHBondContact O-N 3.33Å; Y165-K168 PolarHBondContact O-N 3.06Å; M166-K168 VanDerWaalsContact C-N 3.33Å; M166-K168 PolarHBondContact O-N 3.06Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.89Å; K168-S171 PolarHBondContact O-N 2.9Å; K168-W172 VanDerWaalsContact O-CB 3.28Å; K168-W172 WeakPolarHBondContact O-CB 3.48Å; K168-W172 PolarHBondContact O-N 3.31Å
169	L	80.3	Confident	74.3	Confident	38 Å²	38	66.7 Å²	66.7	20%	0.199	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-41.1	178.2	-176.1	67	0	0	0	111.6	Y165 M166 K173	Y165-L169 HydrophobicContact CE1-CB 4.47Å; Y165-L169 HydrophobicContact CE1-CD2 4.11Å; Y165-L169 WeakPolarHBondContact O-CB 3.44Å; Y165-L169 PolarHBondContact O-N 3.06Å; M166-L169 PolarHBondContact O-N 2.92Å; M166-L169 HydrophobicContact SD-CD2 4Å; L169-K173 WeakPolarHBondContact O-CB 3.35Å; L169-K173 WeakPolarHBondContact O-CG 3.19Å; L169-K173 PolarHBondContact O-N 2.98Å
170	L	78.5	Confident	71.8	Confident	37 Å²	37	72.5 Å²	72.5	19%	0.194	38%	0.378	C	S	.	.	H	α-helix	trans	-74.2	-42.6	177	-84.8	82.4	0	0	0	112.1	M166 K168 W172 K173 V174 F199	M166-L170 HydrophobicContact CB-CD1 4.48Å; M166-L170 WeakPolarHBondContact O-CD1 3.32Å; M166-L170 PolarHBondContact O-N 3Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.89Å; L170-W172 VanDerWaalsContact C-N 3.26Å; L170-W172 PolarHBondContact O-N 3.38Å; L170-K173 PolarHBondContact O-N 3.17Å; L170-K173 VanDerWaalsContact O-N 3.1Å; L170-V174 WeakPolarHBondContact O-CG2 3.39Å; L170-V174 PolarHBondContact O-N 2.83Å; L170-F199 HydrophobicContact CD2-CE1 3.62Å; L170-F199 HydrophobicContact CD2-CZ 3.81Å; L170-F199 HydrophobicContact CG-CE1 4.49Å
171	S	77.7	Confident	69.3	Low	58 Å²	58	75.4 Å²	75.4	41%	0.406	40%	0.398	S	S	.	.	H	α-helix	trans	-55.2	-43.6	172.2	174.5	0	0	0	0	111.4	S167 K168 L175	S167-S171 VanDerWaalsContact O-CB 3.25Å; S167-S171 WeakPolarHBondContact O-CB 3.31Å; S167-S171 PolarHBondContact O-N 2.61Å; K168-S171 PolarHBondContact O-N 2.9Å; S171-L175 WeakPolarHBondContact O-CB 3.42Å; S171-L175 WeakPolarHBondContact O-CD1 3.48Å; S171-L175 WeakPolarHBondContact O-CG 3.11Å; S171-L175 PolarHBondContact O-N 3.29Å
172	W	66.2	Low	66.8	Low	60 Å²	60	80.4 Å²	80.4	23%	0.227	42%	0.424	C	S	.	.	H	α-helix	trans	-63.4	-45.5	173.1	172.2	-68.5	0	0	0	112.5	F155 K168 L170 V174 L175 N176 L645	F155-W172 HydrophobicContact CE1-CE3 4.41Å; F155-W172 HydrophobicContact CE2-CB 4.44Å; F155-W172 HydrophobicContact CE2-CD2 4.34Å; F155-W172 AromaticContact CE2-CE3 3.91Å; F155-W172 HydrophobicContact CE2-CE3 3.91Å; F155-W172 HydrophobicContact CE2-CZ3 4.3Å; F155-W172 HydrophobicContact CZ-CB 4.41Å; F155-W172 HydrophobicContact CZ-CD2 4.25Å; F155-W172 AromaticContact CZ-CE3 3.47Å; F155-W172 HydrophobicContact CZ-CE3 3.47Å; F155-W172 VanDerWaalsContact CZ-CE3 3.47Å; F155-W172 AromaticContact CZ-CZ3 3.9Å; F155-W172 HydrophobicContact CZ-CZ3 3.9Å; K168-W172 VanDerWaalsContact O-CB 3.28Å; K168-W172 WeakPolarHBondContact O-CB 3.48Å; K168-W172 PolarHBondContact O-N 3.31Å; L170-W172 VanDerWaalsContact C-N 3.26Å; L170-W172 PolarHBondContact O-N 3.38Å; W172-V174 VanDerWaalsContact C-N 3.33Å; W172-V174 PolarHBondContact O-N 2.95Å; W172-L175 PolarHBondContact O-N 3.44Å; W172-N176 WeakPolarHBondContact O-CB 3.37Å; W172-N176 PolarHBondContact O-N 3.36Å; W172-N176 PolarHBondContact O-ND2 3.26Å; W172-L645 HydrophobicContact CH2-CB 3.96Å; W172-L645 HydrophobicContact CH2-CD2 3.73Å; W172-L645 HydrophobicContact CH2-CG 4.29Å; W172-L645 HydrophobicContact CZ2-CB 3.7Å; W172-L645 HydrophobicContact CZ2-CD1 4.44Å; W172-L645 HydrophobicContact CZ2-CD2 4.3Å; W172-L645 HydrophobicContact CZ2-CG 4.36Å; W172-L645 HydrophobicContact CZ3-CD2 4.31Å
173	K	67.6	Low	64.5	Low	119 Å²	119	79.7 Å²	79.7	52%	0.517	43%	0.434	S	S	.	.	H	α-helix	trans	-63.7	-37.6	178.5	-77.3	-178.6	178	-169.1	0	112.5	L169 L170 L177	L169-K173 WeakPolarHBondContact O-CB 3.35Å; L169-K173 WeakPolarHBondContact O-CG 3.19Å; L169-K173 PolarHBondContact O-N 2.98Å; L170-K173 PolarHBondContact O-N 3.17Å; L170-K173 VanDerWaalsContact O-N 3.1Å; K173-L177 PolarHBondContact O-N 2.88Å
174	V	67.5	Low	61.9	Low	91 Å²	91	78.7 Å²	78.7	55%	0.552	43%	0.433	S	S	*	.	H	α-helix	trans	-67	-41.6	173.9	172.6	0	0	0	0	111.4	L170 W172 N176	L170-V174 WeakPolarHBondContact O-CG2 3.39Å; L170-V174 PolarHBondContact O-N 2.83Å; W172-V174 VanDerWaalsContact C-N 3.33Å; W172-V174 PolarHBondContact O-N 2.95Å; V174-N176 VanDerWaalsContact C-N 3.33Å; V174-N176 PolarHBondContact O-N 2.86Å
175	L	56.6	Low	59.4	Low	134 Å²	134	79.9 Å²	79.9	70%	0.702	44%	0.44	S	S	*	.	H	α-helix	trans	-74.6	-17.5	179.4	-71.1	169.2	0	0	0	114.5	S171 W172	S171-L175 WeakPolarHBondContact O-CB 3.42Å; S171-L175 WeakPolarHBondContact O-CD1 3.48Å; S171-L175 WeakPolarHBondContact O-CG 3.11Å; S171-L175 PolarHBondContact O-N 3.29Å; W172-L175 PolarHBondContact O-N 3.44Å
176	N	49.2	Very low	57	Low	80 Å²	80	86.7 Å²	86.7	43%	0.428	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	16	178	-66.8	-86.9	0	0	0	112.9	W172 V174 D178	W172-N176 WeakPolarHBondContact O-CB 3.37Å; W172-N176 PolarHBondContact O-N 3.36Å; W172-N176 PolarHBondContact O-ND2 3.26Å; V174-N176 VanDerWaalsContact C-N 3.33Å; V174-N176 PolarHBondContact O-N 2.86Å; N176-D178 PolarHBondContact O-N 2.89Å; N176-D178 VanDerWaalsContact O-N 3.12Å
177	L	42.8	Very low	54.8	Low	111 Å²	111	93 Å²	93	58%	0.581	51%	0.507	S	S	*	.	S	Bend	trans	-73.9	94.6	161.3	-89.7	158.8	0	0	0	107.9	K173 S179	K173-L177 PolarHBondContact O-N 2.88Å; L177-S179 PolarHBondContact O-N 3.12Å
178	D	40.3	Very low	52.5	Low	69 Å²	69	93.6 Å²	93.6	37%	0.369	50%	0.503	S	S	.	.			trans	-51.2	122.7	-175	-87.3	-39.7	0	0	0	112.1	N176 D180 S181 R642	N176-D178 PolarHBondContact O-N 2.89Å; N176-D178 VanDerWaalsContact O-N 3.12Å; D178-D180 PolarHBondContact O-N 3.26Å; D178-D180 VanDerWaalsContact O-N 3.08Å; D178-S181 WeakPolarHBondContact O-CB 3.14Å; D178-S181 PolarHBondContact O-N 3.29Å; D178-S181 PolarHBondContact O-OG 2.93Å; D178-R642 IonicContact OD1-CZ 3.72Å; D178-R642 IonicContact OD1-NH2 3.41Å; D178-R642 PolarHBondContact OD1-NH2 2.81Å; D178-R642 IonicContact OD2-CZ 3.72Å; D178-R642 IonicContact OD2-NH1 2.7Å; D178-R642 PolarHBondContact OD2-NH1 3.18Å; D178-R642 IonicContact OD2-NH2 2.8Å; D178-R642 PolarHBondContact OD2-NH2 3.09Å
179	S	40.4	Very low	50.4	Low	89 Å²	89	96 Å²	96	62%	0.622	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-60.2	-19.4	177.6	-58.5	0	0	0	0	113.4	L177 S181 I182	L177-S179 PolarHBondContact O-N 3.12Å; S179-S181 PolarHBondContact O-N 3.22Å; S179-I182 VanDerWaalsContact O-CB 3.24Å; S179-I182 WeakPolarHBondContact O-CB 3.26Å; S179-I182 WeakPolarHBondContact O-CG1 3.37Å; S179-I182 PolarHBondContact O-N 2.99Å
180	D	39	Very low	48.6	Very low	127 Å²	127	98.8 Å²	98.8	68%	0.679	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-67.5	-20.6	174.8	-59.4	-43.3	0	0	0	112.2	D178 I182 S183	D178-D180 PolarHBondContact O-N 3.26Å; D178-D180 VanDerWaalsContact O-N 3.08Å; D180-I182 VanDerWaalsContact C-N 3.26Å; D180-I182 PolarHBondContact O-N 3.29Å; D180-S183 PolarHBondContact O-OG 2.93Å
181	S	38.9	Very low	46.9	Very low	65 Å²	65	101.5 Å²	101.5	46%	0.455	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-65.5	-28.3	169.8	-39.6	0	0	0	0	112.8	D178 S179 S183 N184	D178-S181 WeakPolarHBondContact O-CB 3.14Å; D178-S181 PolarHBondContact O-N 3.29Å; D178-S181 PolarHBondContact O-OG 2.93Å; S179-S181 PolarHBondContact O-N 3.22Å; S181-S183 PolarHBondContact O-N 3.21Å; S181-N184 PolarHBondContact O-N 3.26Å
182	I	40.8	Very low	45.2	Very low	107 Å²	107	104.6 Å²	104.6	55%	0.549	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-69.7	-25.4	-170	-58.7	177.8	0	0	0	111.2	S179 D180 N184 I185	S179-I182 VanDerWaalsContact O-CB 3.24Å; S179-I182 WeakPolarHBondContact O-CB 3.26Å; S179-I182 WeakPolarHBondContact O-CG1 3.37Å; S179-I182 PolarHBondContact O-N 2.99Å; D180-I182 VanDerWaalsContact C-N 3.26Å; D180-I182 PolarHBondContact O-N 3.29Å; I182-N184 VanDerWaalsContact C-N 3.28Å; I182-N184 PolarHBondContact O-N 3.34Å; I182-I185 HydrophobicContact CB-CD1 4.18Å; I182-I185 HydrophobicContact CG1-CD1 4.39Å; I182-I185 HydrophobicContact CG2-CD1 3.89Å
183	S	39.8	Very low	44	Very low	90 Å²	90	106.7 Å²	106.7	63%	0.629	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-67.1	-22.2	176.7	65.8	0	0	0	0	114.6	D180 S181	D180-S183 PolarHBondContact O-OG 2.93Å; S181-S183 PolarHBondContact O-N 3.21Å
184	N	35.8	Very low	43	Very low	102 Å²	102	105.8 Å²	105.8	55%	0.545	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-105.4	7.2	-177.7	-75	-39.9	0	0	0	114.1	S181 I182 N186 Q187	S181-N184 PolarHBondContact O-N 3.26Å; I182-N184 VanDerWaalsContact C-N 3.28Å; I182-N184 PolarHBondContact O-N 3.34Å; N184-N186 PolarHBondContact O-N 3.26Å; N184-N186 VanDerWaalsContact O-N 3.07Å; N184-Q187 PolarHBondContact O-N 2.81Å; N184-Q187 VanDerWaalsContact O-N 3.12Å
185	I	39.8	Very low	42.1	Very low	78 Å²	78	108.9 Å²	108.9	40%	0.4	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-56.9	-27.9	-177.9	-73.8	177.2	0	0	0	113	I182 Q187 I188	I182-I185 HydrophobicContact CB-CD1 4.18Å; I182-I185 HydrophobicContact CG1-CD1 4.39Å; I182-I185 HydrophobicContact CG2-CD1 3.89Å; I185-Q187 PolarHBondContact O-N 3.18Å; I185-I188 HydrophobicContact CG1-CD1 4.4Å; I185-I188 PolarHBondContact O-N 2.91Å
186	N	40	Very low	41.3	Very low	160 Å²	160	107 Å²	107	86%	0.856	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-67.5	3.3	178.1	-64.7	-26.4	0	0	0	115.1	N184	N184-N186 PolarHBondContact O-N 3.26Å; N184-N186 VanDerWaalsContact O-N 3.07Å
187	Q	41.3	Very low	41.1	Very low	180 Å²	180	108.7 Å²	108.7	84%	0.841	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-126.8	8.4	175.7	-61.6	-173.9	7.9	0	0	113.7	N184 I185	N184-Q187 PolarHBondContact O-N 2.81Å; N184-Q187 VanDerWaalsContact O-N 3.12Å; I185-Q187 PolarHBondContact O-N 3.18Å
188	I	37.4	Very low	41.6	Very low	90 Å²	90	108.6 Å²	108.6	46%	0.462	57%	0.571	S	S	.	*	S	Bend	trans	-95	133.1	179	-55.4	179.6	0	0	0	109.1	I185 Q192	I185-I188 HydrophobicContact CG1-CD1 4.4Å; I185-I188 PolarHBondContact O-N 2.91Å; I188-Q192 HydrophobicContact CG2-CB 3.83Å; I188-Q192 HydrophobicContact CG2-CG 3.91Å
189	E	38.5	Very low	41.8	Very low	130 Å²	130	110.5 Å²	110.5	61%	0.607	58%	0.576	S	S	*	*			trans	-59	140.8	173.5	-79.2	-163	174.1	0	0	111.6	N191 Q192	E189-N191 HydrophobicContact CB-CB 4.45Å; E189-N191 PolarHBondContact O-N 2.61Å; E189-N191 PolarHBondContact OE2-ND2 3.48Å; E189-Q192 PolarHBondContact O-N 2.89Å; E189-Q192 VanDerWaalsContact O-N 3.16Å
190	P	41.8	Very low	42.2	Very low	98 Å²	98	110.9 Å²	110.9	64%	0.636	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-56	-29.3	-179.9	21.9	-33	0	0	0	113.2	Q192 M193	P190-Q192 PolarHBondContact O-N 3.39Å; P190-M193 PolarHBondContact O-N 3.04Å; P190-M193 VanDerWaalsContact O-N 3.14Å
191	N	44.4	Very low	42.9	Very low	93 Å²	93	108.4 Å²	108.4	50%	0.497	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-56	-13.1	178.1	-59.4	-43.5	0	0	0	115.7	E189	E189-N191 HydrophobicContact CB-CB 4.45Å; E189-N191 PolarHBondContact O-N 2.61Å; E189-N191 PolarHBondContact OE2-ND2 3.48Å
192	Q	41.9	Very low	43.4	Very low	123 Å²	123	109.3 Å²	109.3	58%	0.575	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-90.4	-38.5	177.8	-68.1	-88.3	-8.4	0	0	112.6	I188 E189 P190 K195	I188-Q192 HydrophobicContact CG2-CB 3.83Å; I188-Q192 HydrophobicContact CG2-CG 3.91Å; E189-Q192 PolarHBondContact O-N 2.89Å; E189-Q192 VanDerWaalsContact O-N 3.16Å; P190-Q192 PolarHBondContact O-N 3.39Å; Q192-K195 PolarHBondContact O-N 3.1Å
193	M	40	Very low	43.6	Very low	105 Å²	105	107.7 Å²	107.7	52%	0.517	55%	0.547	S	S	.	.	H	α-helix	trans	-68.2	-41.6	-179.2	-78.2	-66.4	-68.1	0	0	111.6	P190 K195 L196 Q197	P190-M193 PolarHBondContact O-N 3.04Å; P190-M193 VanDerWaalsContact O-N 3.14Å; M193-K195 PolarHBondContact O-N 2.9Å; M193-L196 PolarHBondContact O-N 3.37Å; M193-Q197 PolarHBondContact O-N 3.27Å
194	D	46.7	Very low	43.6	Very low	100 Å²	100	109.5 Å²	109.5	54%	0.535	55%	0.546	S	S	.	.	H	α-helix	trans	-55.2	-37.7	177.6	-71.4	-28.1	0	0	0	112.2	L196 Q197 Q198	D194-L196 PolarHBondContact O-N 3.43Å; D194-Q197 PolarHBondContact O-N 2.89Å; D194-Q198 WeakPolarHBondContact O-CB 3.35Å; D194-Q198 PolarHBondContact O-N 3.14Å
195	K	48.2	Very low	44	Very low	156 Å²	156	110.5 Å²	110.5	68%	0.678	55%	0.547	S	S	*	.	H	α-helix	trans	-68.2	-34.4	179.3	-70.8	179.8	-179.4	173.5	0	113.2	Q192 M193 F199	Q192-K195 PolarHBondContact O-N 3.1Å; M193-K195 PolarHBondContact O-N 2.9Å; K195-F199 VanDerWaalsContact O-CB 3.26Å; K195-F199 WeakPolarHBondContact O-CB 3.14Å; K195-F199 PolarHBondContact O-N 2.59Å
196	L	40.4	Very low	43.8	Very low	94 Å²	94	114.2 Å²	114.2	49%	0.492	56%	0.56	S	S	.	*	H	α-helix	trans	-75.5	-39.9	174.4	-76.6	167.3	0	0	0	111.2	M193 D194 F199 L200	M193-L196 PolarHBondContact O-N 3.37Å; D194-L196 PolarHBondContact O-N 3.43Å; L196-F199 PolarHBondContact O-N 2.87Å; L196-L200 WeakPolarHBondContact O-CG 3.34Å; L196-L200 PolarHBondContact O-N 2.91Å; L196-L200 VanDerWaalsContact O-N 3.12Å
197	Q	44.8	Very low	43.8	Very low	115 Å²	115	110 Å²	110	54%	0.537	54%	0.544	S	S	.	.	H	α-helix	trans	-70.4	-40.1	180	-168.7	161.1	-11	0	0	112.2	M193 D194 L200 L201	M193-Q197 PolarHBondContact O-N 3.27Å; D194-Q197 PolarHBondContact O-N 2.89Å; Q197-L200 PolarHBondContact O-N 2.89Å; Q197-L201 HydrophobicContact CG-CD1 4.3Å; Q197-L201 WeakPolarHBondContact O-CG 3.48Å; Q197-L201 PolarHBondContact O-N 3.19Å
198	Q	53.7	Low	43.8	Very low	109 Å²	109	105.6 Å²	105.6	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-45.9	171	-168.8	69.7	59.4	0	0	111.2	D194 L200 L201 D202	D194-Q198 WeakPolarHBondContact O-CB 3.35Å; D194-Q198 PolarHBondContact O-N 3.14Å; Q198-L200 PolarHBondContact O-N 3.33Å; Q198-L201 PolarHBondContact O-N 2.82Å; Q198-D202 PolarHBondContact NE2-OD1 2.94Å; Q198-D202 WeakPolarHBondContact O-CB 3.49Å; Q198-D202 PolarHBondContact O-N 3.49Å
199	F	44.8	Very low	43.8	Very low	109 Å²	109	106.1 Å²	106.1	48%	0.478	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-25.9	178.6	179.8	-104.3	0	0	0	114	L170 K195 L196 Q203	L170-F199 HydrophobicContact CD2-CE1 3.62Å; L170-F199 HydrophobicContact CD2-CZ 3.81Å; L170-F199 HydrophobicContact CG-CE1 4.49Å; K195-F199 VanDerWaalsContact O-CB 3.26Å; K195-F199 WeakPolarHBondContact O-CB 3.14Å; K195-F199 PolarHBondContact O-N 2.59Å; L196-F199 PolarHBondContact O-N 2.87Å; F199-Q203 VanDerWaalsContact CE1-NE2 3.28Å; F199-Q203 WeakPolarHBondContact O-CG 3.17Å; F199-Q203 PolarHBondContact O-NE2 2.64Å
200	L	48.8	Very low	43.7	Very low	97 Å²	97	104.6 Å²	104.6	51%	0.508	52%	0.523	S	S	.	.	H	α-helix	trans	-79.1	-46.6	172.2	-70.1	166.6	0	0	0	111.4	L196 Q197 Q198 D202 Q203 E204	L196-L200 WeakPolarHBondContact O-CG 3.34Å; L196-L200 PolarHBondContact O-N 2.91Å; L196-L200 VanDerWaalsContact O-N 3.12Å; Q197-L200 PolarHBondContact O-N 2.89Å; Q198-L200 PolarHBondContact O-N 3.33Å; L200-D202 PolarHBondContact O-N 3.45Å; L200-Q203 PolarHBondContact O-N 2.97Å; L200-Q203 VanDerWaalsContact O-N 3.08Å; L200-E204 PolarHBondContact O-N 3.26Å
201	L	53.3	Low	43.3	Very low	76 Å²	76	105.3 Å²	105.3	40%	0.398	52%	0.521	S	S	.	.	H	α-helix	trans	-60.1	-41.9	177.6	-73.7	165.3	0	0	0	112.6	Q197 Q198 Q203 E204 H205	Q197-L201 HydrophobicContact CG-CD1 4.3Å; Q197-L201 WeakPolarHBondContact O-CG 3.48Å; Q197-L201 PolarHBondContact O-N 3.19Å; Q198-L201 PolarHBondContact O-N 2.82Å; L201-Q203 PolarHBondContact O-N 3.14Å; L201-Q203 VanDerWaalsContact O-N 3.16Å; L201-E204 PolarHBondContact O-N 3.44Å; L201-H205 PolarHBondContact O-CD2 2.85Å; L201-H205 PolarHBondContact O-N 2.95Å
202	D	49.5	Very low	42.8	Very low	84 Å²	84	106.9 Å²	106.9	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-60.5	-25.1	177.2	-68	-8.9	0	0	0	112	Q198 L200 F206	Q198-D202 PolarHBondContact NE2-OD1 2.94Å; Q198-D202 WeakPolarHBondContact O-CB 3.49Å; Q198-D202 PolarHBondContact O-N 3.49Å; L200-D202 PolarHBondContact O-N 3.45Å; D202-F206 PolarHBondContact O-N 3.1Å
203	Q	44.7	Very low	42.5	Very low	72 Å²	72	105.1 Å²	105.1	34%	0.336	53%	0.527	S	S	.	.	H	α-helix	trans	-88.8	-29.3	178.7	-72.1	-176.9	43.5	0	0	114.5	F199 L200 L201 H205 F206 S207	F199-Q203 VanDerWaalsContact CE1-NE2 3.28Å; F199-Q203 WeakPolarHBondContact O-CG 3.17Å; F199-Q203 PolarHBondContact O-NE2 2.64Å; L200-Q203 PolarHBondContact O-N 2.97Å; L200-Q203 VanDerWaalsContact O-N 3.08Å; L201-Q203 PolarHBondContact O-N 3.14Å; L201-Q203 VanDerWaalsContact O-N 3.16Å; Q203-H205 VanDerWaalsContact C-N 3.32Å; Q203-F206 PolarHBondContact O-N 3.49Å; Q203-S207 WeakPolarHBondContact O-CB 3.11Å; Q203-S207 PolarHBondContact O-N 3.4Å; Q203-S207 PolarHBondContact O-OG 3.38Å
204	E	39.5	Very low	42.2	Very low	129 Å²	129	107.9 Å²	107.9	60%	0.603	54%	0.536	S	S	*	.	H	α-helix	trans	-62.1	-45.8	168.1	-64.3	-168.8	148.9	0	0	109.6	L200 L201 F206 S207 I208	L200-E204 PolarHBondContact O-N 3.26Å; L201-E204 PolarHBondContact O-N 3.44Å; E204-F206 VanDerWaalsContact C-N 3.35Å; E204-F206 PolarHBondContact O-N 2.94Å; E204-S207 PolarHBondContact O-N 2.93Å; E204-I208 WeakPolarHBondContact O-CD1 3.02Å; E204-I208 VanDerWaalsContact O-CG1 3.3Å; E204-I208 WeakPolarHBondContact O-CG1 3.16Å; E204-I208 PolarHBondContact O-N 3.07Å
205	H	44.3	Very low	41.4	Very low	123 Å²	123	107.1 Å²	107.1	57%	0.569	54%	0.538	S	S	*	.	H	α-helix	trans	-60.1	-38.7	173.1	-83.5	-71.9	0	0	0	113.6	L201 Q203 N209	L201-H205 PolarHBondContact O-CD2 2.85Å; L201-H205 PolarHBondContact O-N 2.95Å; Q203-H205 VanDerWaalsContact C-N 3.32Å; H205-N209 PolarHBondContact O-N 3.43Å; H205-N209 PolarHBondContact O-ND2 3.2Å
206	F	36.8	Very low	40.5	Very low	155 Å²	155	105.5 Å²	105.5	68%	0.68	54%	0.537	S	S	*	.	H	α-helix	trans	-67.6	-36	175.6	-126.5	-85.5	0	0	0	112.9	D202 Q203 E204	D202-F206 PolarHBondContact O-N 3.1Å; Q203-F206 PolarHBondContact O-N 3.49Å; E204-F206 VanDerWaalsContact C-N 3.35Å; E204-F206 PolarHBondContact O-N 2.94Å
207	S	40.1	Very low	40.1	Very low	73 Å²	73	112.8 Å²	112.8	51%	0.51	56%	0.558	S	S	.	*	H	α-helix	trans	-74.1	-33.4	-178.8	-58.2	0	0	0	0	112.7	Q203 E204 N211	Q203-S207 WeakPolarHBondContact O-CB 3.11Å; Q203-S207 PolarHBondContact O-N 3.4Å; Q203-S207 PolarHBondContact O-OG 3.38Å; E204-S207 PolarHBondContact O-N 2.93Å; S207-N211 PolarHBondContact O-ND2 3.28Å; S207-N211 VanDerWaalsContact O-ND2 3.07Å
208	I	41.1	Very low	39.5	Very low	87 Å²	87	113.8 Å²	113.8	45%	0.446	57%	0.567	S	S	.	*	H	α-helix	trans	-72.1	-47.6	177.6	-67.1	163.2	0	0	0	110.8	E204 M210 N211 E212	E204-I208 WeakPolarHBondContact O-CD1 3.02Å; E204-I208 VanDerWaalsContact O-CG1 3.3Å; E204-I208 WeakPolarHBondContact O-CG1 3.16Å; E204-I208 PolarHBondContact O-N 3.07Å; I208-M210 PolarHBondContact O-N 3.48Å; I208-M210 VanDerWaalsContact O-N 3.12Å; I208-N211 PolarHBondContact O-N 2.81Å; I208-E212 HydrophobicContact CG2-CG 4.36Å; I208-E212 PolarHBondContact O-N 3.4Å
209	N	36.7	Very low	38.2	Very low	100 Å²	100	116.3 Å²	116.3	54%	0.535	58%	0.577	S	S	.	*	H	α-helix	trans	-57.4	-30.9	-178.6	-87	-81.4	0	0	0	113.8	H205 S213	H205-N209 PolarHBondContact O-N 3.43Å; H205-N209 PolarHBondContact O-ND2 3.2Å; N209-S213 WeakPolarHBondContact O-CB 3.5Å; N209-S213 PolarHBondContact O-N 3.05Å; N209-S213 PolarHBondContact O-OG 2.86Å
210	M	36.2	Very low	37.6	Very low	98 Å²	98	119.2 Å²	119.2	48%	0.483	60%	0.597	S	S	.	*	H	α-helix	trans	-79.7	-12.5	177.9	-80.2	-69.1	177.3	0	0	114.8	I208	I208-M210 PolarHBondContact O-N 3.48Å; I208-M210 VanDerWaalsContact O-N 3.12Å
211	N	34.2	Very low	36.7	Very low	114 Å²	114	121.9 Å²	121.9	61%	0.61	61%	0.607	S	S	*	*	H	α-helix	trans	-97.6	-38	177.1	-72.7	-40.3	0	0	0	111.8	S207 I208 S213 K214	S207-N211 PolarHBondContact O-ND2 3.28Å; S207-N211 VanDerWaalsContact O-ND2 3.07Å; I208-N211 PolarHBondContact O-N 2.81Å; N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 3.33Å; N211-K214 PolarHBondContact O-N 2.86Å
212	E	33.9	Very low	35.8	Very low	125 Å²	125	125 Å²	125	58%	0.584	62%	0.624	S	S	*	*	H	α-helix	trans	-68.3	-29.9	174.5	-63.3	-171.4	133	0	0	112.9	I208 K214 S215	I208-E212 HydrophobicContact CG2-CG 4.36Å; I208-E212 PolarHBondContact O-N 3.4Å; E212-K214 PolarHBondContact O-N 2.7Å; E212-S215 PolarHBondContact O-OG 3.39Å
213	S	35	Very low	35	Very low	86 Å²	86	129.1 Å²	129.1	60%	0.601	64%	0.64	S	S	*	*	H	α-helix	trans	-76.7	-1.4	176.6	52.3	0	0	0	0	114.7	N209 N211	N209-S213 WeakPolarHBondContact O-CB 3.5Å; N209-S213 PolarHBondContact O-N 3.05Å; N209-S213 PolarHBondContact O-OG 2.86Å; N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 3.33Å
214	K	33.9	Very low	34.3	Very low	164 Å²	164	132.7 Å²	132.7	71%	0.713	66%	0.66	S	S	*	*	H	α-helix	trans	-112.9	-8.3	175.5	-73.2	174.3	-175.4	157.6	0	114.4	N211 E212	N211-K214 PolarHBondContact O-N 2.86Å; E212-K214 PolarHBondContact O-N 2.7Å
215	S	30.2	Very low	33.9	Very low	83 Å²	83	135.1 Å²	135.1	58%	0.58	67%	0.671	S	S	*	*	H	α-helix	trans	-100	-9.2	-176	53.6	0	0	0	0	114.9	E212	E212-S215 PolarHBondContact O-OG 3.39Å
216	N	27.9	Very low	33.1	Very low	122 Å²	122	135.5 Å²	135.5	65%	0.652	68%	0.676	S	S	*	*			trans	-114.8	76.8	-176.9	-87	-64.8	0	0	0	113.9
217	R	32.5	Very low	32.8	Very low	247 Å²	247	135.7 Å²	135.7	93%	0.932	68%	0.684	S	S	*	*			trans	-134.7	99.2	153.1	-74.2	-165.5	177.5	-168.1	-0.7	109
218	N	31.8	Very low	32.2	Very low	136 Å²	136	139.2 Å²	139.2	73%	0.727	70%	0.697	S	S	*	*			trans	-67.2	146.5	-172	-77.1	-37.2	0	0	0	113.4
219	F	27.2	Very low	31.8	Very low	163 Å²	163	142.7 Å²	142.7	72%	0.715	72%	0.717	S	S	*	*			trans	4.3	121.4	145.3	-76.1	-103.8	0	0	0	117	Q221	F219-Q221 HydrophobicContact CD1-CG 4.2Å
220	N	31.3	Very low	31.4	Very low	169 Å²	169	147.9 Å²	147.9	90%	0.904	73%	0.728	S	S	*	*				-130.8	146.2	111.7	-90	-44.9	0	0	0	108.5
221	Q	30.5	Very low	31.2	Very low	154 Å²	154	151.2 Å²	151.2	72%	0.72	74%	0.743	S	S	*	*			trans	-85.4	150.5	179.7	-65.7	158.9	-65.3	0	0	109.5	F219	F219-Q221 HydrophobicContact CD1-CG 4.2Å
222	D	33.7	Very low	31.2	Very low	140 Å²	140	156.3 Å²	156.3	75%	0.749	76%	0.759	S	S	*	*				-166.9	151.8	122	-101.1	-28.2	0	0	0	113.9
223	H	33.8	Very low	30.9	Very low	172 Å²	172	154.7 Å²	154.7	80%	0.796	77%	0.767	S	S	*	*			trans	52.2	82.6	166	-61	-53	0	0	0	120.6
224	I	29.6	Very low	31	Very low	147 Å²	147	156.6 Å²	156.6	75%	0.754	77%	0.771	S	S	*	*			trans	-33.1	133	145.5	-62.5	154.2	0	0	0	113.8	L226	I224-L226 HydrophobicContact CG2-CD1 4.1Å
225	H	31.5	Very low	31	Very low	180 Å²	180	158 Å²	158	83%	0.833	77%	0.771	S	S	*	*				-147.2	123	128	-136	-75.5	0	0	0	111.5
226	L	26.6	Very low	31.3	Very low	130 Å²	130	161 Å²	161	68%	0.681	78%	0.78	S	S	*	*			trans	-79.4	144.5	168	-80.2	80.8	0	0	0	109.6	I224	I224-L226 HydrophobicContact CG2-CD1 4.1Å
227	L	31.3	Very low	31.7	Very low	160 Å²	160	160 Å²	160	84%	0.838	78%	0.778	S	S	*	*			trans	-149.7	114.5	145.1	-112	162.4	0	0	0	107.7
228	N	26.5	Very low	31.7	Very low	147 Å²	147	154.7 Å²	154.7	79%	0.786	77%	0.766	S	S	*	*			trans	-72.7	129.4	168.7	-77.1	-42.8	0	0	0	108
229	D	32.9	Very low	31.6	Very low	160 Å²	160	157.6 Å²	157.6	86%	0.856	78%	0.777	S	S	*	*			trans	-146.2	147.9	153.2	-127.9	-33.5	0	0	0	112.1
230	R	29	Very low	31.8	Very low	208 Å²	208	156.5 Å²	156.5	79%	0.785	78%	0.779	S	S	*	*			trans	-99.4	159.9	-175.8	-71.6	178.4	161.1	-177	-4.4	111.4
231	H	31.4	Very low	31.9	Very low	168 Å²	168	152.5 Å²	152.5	78%	0.778	77%	0.77	S	S	*	*			trans	63.8	107.9	164.4	-54.4	-70.7	0	0	0	117.1
232	K	35.2	Very low	32.1	Very low	222 Å²	222	153.2 Å²	153.2	97%	0.965	78%	0.778	S	S	*	*			trans	-138.7	82.9	143.9	-127.2	172.5	-172.9	173.8	0	111.1
233	A	27.6	Very low	31.7	Very low	91 Å²	91	152 Å²	152	75%	0.752	78%	0.779	S	S	*	*			trans	-124	110.8	165.1	0	0	0	0	0	107.6
234	D	35.7	Very low	31.6	Very low	126 Å²	126	149.1 Å²	149.1	67%	0.674	78%	0.778	S	S	*	*			trans	-178.7	143.3	178.1	-100.1	-19.3	0	0	0	103.9
235	R	35.8	Very low	31.6	Very low	192 Å²	192	148 Å²	148	73%	0.725	78%	0.778	S	S	*	*			cis	-159.5	178.9	0.6	-112.2	168	-140.2	-171	18.5	106.2
236	I	35.3	Very low	31.6	Very low	147 Å²	147	145.4 Å²	145.4	75%	0.754	78%	0.781	S	S	*	*			cis	-158.8	171.1	17.1	-126.4	148.5	0	0	0	105.3
237	T	36.1	Very low	31.8	Very low	102 Å²	102	144.8 Å²	144.8	63%	0.626	79%	0.787	S	S	*	*			cis	163.7	138	-30.9	-78.8	0	0	0	0	106.2
238	M	32.6	Very low	31.8	Very low	134 Å²	134	144.3 Å²	144.3	66%	0.66	79%	0.792	S	S	*	*			cis	-168.9	154.8	-17.5	-103.2	166.8	61	0	0	106.2	N240	M238-N240 WeakPolarHBondContact CE-ND2 3.28Å
239	M	31	Very low	32	Very low	197 Å²	197	142.7 Å²	142.7	97%	0.97	79%	0.791	S	S	*	*			trans	-137.3	120.4	151.1	-94.1	-173.8	-176.9	0	0	111.2
240	N	29.8	Very low	31.8	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	79%	0.793	S	S	*	*			trans	-113.3	153.5	177.8	-88.9	-2.9	0	0	0	109.7	M238	M238-N240 WeakPolarHBondContact CE-ND2 3.28Å
241	A	35.1	Very low	31.8	Very low	86 Å²	86	136.9 Å²	136.9	71%	0.711	78%	0.781	S	S	*	*			trans	-155.6	119.1	144.8	0	0	0	0	0	113
242	N	33.6	Very low	31.7	Very low	168 Å²	168	137.1 Å²	137.1	90%	0.898	78%	0.78	S	S	*	*			trans	74	142.4	148.9	-56.5	-10.3	0	0	0	121.4
243	C	24.6	Very low	31.4	Very low	115 Å²	115	132.7 Å²	132.7	78%	0.777	77%	0.767	S	S	*	*			trans	-153.2	140.5	179.4	172.9	0	0	0	0	108.3
244	S	32.6	Very low	31.5	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	76%	0.764	S	S	*	*			trans	-157.7	106.1	165.1	-69.8	0	0	0	0	107.6
245	T	29.1	Very low	31.2	Very low	123 Å²	123	134.5 Å²	134.5	76%	0.755	77%	0.767	S	S	*	*				62.8	100	76.3	67.7	0	0	0	0	115.9
246	S	32.4	Very low	30.8	Very low	126 Å²	126	129.9 Å²	129.9	88%	0.881	76%	0.764	S	S	*	*			trans	-155.6	142.7	142.5	58.7	0	0	0	0	109.4
247	S	30.2	Very low	30.5	Very low	117 Å²	117	130.9 Å²	130.9	82%	0.818	77%	0.766	S	S	*	*			trans	-138.8	146.6	-170.9	54.1	0	0	0	0	112
248	T	31.7	Very low	30.2	Very low	151 Å²	151	132.7 Å²	132.7	93%	0.926	77%	0.771	S	S	*	*			trans	-143.8	136.2	161.7	19.9	0	0	0	0	109.9
249	S	29.6	Very low	30	Very low	112 Å²	112	131.8 Å²	131.8	78%	0.783	77%	0.773	S	S	*	*			trans	-106	160.8	-179	51.7	0	0	0	0	111.3
250	L	30.5	Very low	29.9	Very low	170 Å²	170	129.3 Å²	129.3	89%	0.89	76%	0.763	S	S	*	*			trans	-153.5	159.6	141.4	-105.6	169.7	0	0	0	108.8
251	S	27.3	Very low	29.9	Very low	76 Å²	76	126.6 Å²	126.6	53%	0.531	76%	0.756	S	S	.	*			trans	-149.9	-170.3	-154.7	55.8	0	0	0	0	113.5
252	F	30.3	Very low	29.7	Very low	173 Å²	173	132.6 Å²	132.6	76%	0.759	77%	0.766	S	S	*	*			trans	77.2	152.8	176.8	-46.5	-68.7	0	0	0	114.5
253	N	29.6	Very low	29.6	Very low	129 Å²	129	133.1 Å²	133.1	69%	0.69	77%	0.768	S	S	*	*			cis	-177.7	169.4	-23.9	-103.6	10.3	0	0	0	104.8
254	Q	28.8	Very low	29.7	Very low	150 Å²	150	131.9 Å²	131.9	70%	0.701	77%	0.766	S	S	*	*			cis	-179.3	140.6	-22.3	176.2	-175.5	6.2	0	0	105.7
255	S	28.6	Very low	29.5	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	77%	0.766	S	S	*	*			trans	61.9	158.3	172.6	26.5	0	0	0	0	117.2
256	S	29.1	Very low	29.4	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	76%	0.762	S	S	*	*			cis	-168.7	161.7	-20.4	46.2	0	0	0	0	111
257	E	28.4	Very low	29.1	Very low	169 Å²	169	132 Å²	132	79%	0.79	76%	0.76	S	S	*	*			trans	77.8	146	149.5	-89	172.3	-154.7	0	0	122.9
258	I	30	Very low	28.9	Very low	140 Å²	140	136.4 Å²	136.4	72%	0.718	76%	0.76	S	S	*	*			trans	76.8	108.3	156.1	-65.2	157.4	0	0	0	118.7
259	T	27.7	Very low	28.9	Very low	115 Å²	115	135.3 Å²	135.3	71%	0.706	76%	0.755	S	S	*	*			trans	26.1	135.6	147.2	62.7	0	0	0	0	119.8
260	D	29.3	Very low	28.9	Very low	144 Å²	144	136.2 Å²	136.2	77%	0.77	76%	0.756	S	S	*	*			cis	-165.3	171.7	44.8	-132	-33.9	0	0	0	114.3
261	S	29.7	Very low	28.8	Very low	84 Å²	84	135.3 Å²	135.3	59%	0.587	76%	0.757	S	S	*	*			trans	34.6	107.5	160.5	65	0	0	0	0	120.4
262	F	31.7	Very low	29.1	Very low	212 Å²	212	136.6 Å²	136.6	93%	0.93	77%	0.766	S	S	*	*				-176.9	139.1	102	-100.7	-73.5	0	0	0	110.1
263	L	29.6	Very low	28.9	Very low	179 Å²	179	135.5 Å²	135.5	94%	0.937	77%	0.768	S	S	*	*			trans	-92.1	151.3	-163.6	-71.7	169.6	0	0	0	114.7
264	A	26.9	Very low	29	Very low	89 Å²	89	137.2 Å²	137.2	74%	0.736	78%	0.776	S	S	*	*			trans	-85.3	146.9	173.8	0	0	0	0	0	112.8
265	S	28.7	Very low	29.1	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	78%	0.781	S	S	*	*			trans	-168.3	139.2	158.8	-76	0	0	0	0	106.6
266	S	26.7	Very low	29.1	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	78%	0.784	S	S	*	*			cis	52.6	87.6	4.8	75.5	0	0	0	0	116.1
267	N	27.3	Very low	29.2	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	79%	0.793	S	S	*	*				-176	161.8	125.9	-91.4	-28.6	0	0	0	113.1
268	Y	24.7	Very low	29.2	Very low	209 Å²	209	138.3 Å²	138.3	82%	0.82	79%	0.785	S	S	*	*			trans	-69.2	153.6	167.2	-77.4	-112.8	0	0	0	111.2
269	P	31.6	Very low	29.1	Very low	127 Å²	127	138.1 Å²	138.1	83%	0.825	79%	0.786	S	S	*	*			trans	-80.5	114.2	162.5	32.2	-30.2	0	0	0	110.7
270	T	30	Very low	29.3	Very low	132 Å²	132	139.7 Å²	139.7	81%	0.81	79%	0.788	S	S	*	*			trans	-97.1	150.8	166.8	44.7	0	0	0	0	111
271	V	29.1	Very low	29.2	Very low	151 Å²	151	137.8 Å²	137.8	92%	0.915	79%	0.786	S	S	*	*			trans	-85.4	133.5	-171.1	-171.5	0	0	0	0	112
272	S	32.8	Very low	29.1	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	79%	0.792	S	S	*	*			trans	-155.2	111.6	166.6	62.3	0	0	0	0	114.7
273	N	26.3	Very low	28.8	Very low	151 Å²	151	134.3 Å²	134.3	81%	0.807	78%	0.783	S	S	*	*			trans	36.2	118.8	147.8	-60.3	-14.8	0	0	0	122
274	L	32.9	Very low	28.7	Very low	164 Å²	164	131.5 Å²	131.5	86%	0.859	77%	0.774	S	S	*	*				-175.3	94.3	129.8	-99.6	158.9	0	0	0	107.8
275	Q	29.2	Very low	28.7	Very low	173 Å²	173	133.7 Å²	133.7	81%	0.808	78%	0.778	S	S	*	*				34.9	108.2	93.7	-78.8	-175.5	-36.2	0	0	115.4
276	S	29	Very low	28.7	Very low	112 Å²	112	132.8 Å²	132.8	78%	0.783	78%	0.777	S	S	*	*				174.3	163.2	110.3	-74.3	0	0	0	0	113.5
277	I	31.8	Very low	28.8	Very low	168 Å²	168	137.3 Å²	137.3	86%	0.862	79%	0.785	S	S	*	*			trans	67.7	93.4	166.3	-43.8	-170.3	0	0	0	117.2
278	S	28.1	Very low	28.9	Very low	90 Å²	90	139.9 Å²	139.9	63%	0.629	79%	0.789	S	S	*	*			trans	-73.9	164.8	151.9	54.4	0	0	0	0	112
279	N	27.8	Very low	29.1	Very low	136 Å²	136	135.8 Å²	135.8	73%	0.727	79%	0.786	S	S	*	*				166.5	150.1	121	-82.8	-13.5	0	0	0	114.4
280	I	31.4	Very low	29.2	Very low	147 Å²	147	134.2 Å²	134.2	75%	0.754	78%	0.784	S	S	*	*			trans	62.3	112.5	160	-59.6	151.5	0	0	0	115.4
281	S	26.9	Very low	29.2	Very low	104 Å²	104	133.4 Å²	133.4	73%	0.727	78%	0.778	S	S	*	*			cis	90.5	130.9	35.5	-58	0	0	0	0	116.4
282	S	27.5	Very low	29.3	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	77%	0.77	S	S	*	*			trans	85.2	121.4	144.3	64.5	0	0	0	0	123.5
283	T	25.7	Very low	29.1	Very low	123 Å²	123	132.3 Å²	132.3	76%	0.755	77%	0.766	S	S	*	*				90.8	136.9	128.4	42.1	0	0	0	0	125.7
284	T	28.3	Very low	29.4	Very low	120 Å²	120	132.3 Å²	132.3	74%	0.736	77%	0.765	S	S	*	*			trans	79.1	95.8	142.2	44.5	0	0	0	0	124
285	T	25.9	Very low	29.2	Very low	135 Å²	135	131.4 Å²	131.4	83%	0.828	76%	0.756	S	S	*	*				42.5	110.9	107.4	-42.6	0	0	0	0	122.3
286	A	29.7	Very low	29.1	Very low	90 Å²	90	129.4 Å²	129.4	74%	0.744	75%	0.751	S	S	*	*			trans	176.9	118.9	134.5	0	0	0	0	0	110.1
287	K	29.1	Very low	29	Very low	192 Å²	192	128.5 Å²	128.5	84%	0.835	74%	0.743	S	S	*	*				54.5	116	86.2	-75	-169.3	177.1	-176.6	0	116.5
288	F	29.6	Very low	28.7	Very low	211 Å²	211	127.9 Å²	127.9	93%	0.925	74%	0.737	S	S	*	*				-162.3	172	127.2	-107.1	-66.5	0	0	0	112
289	T	28.8	Very low	28.5	Very low	122 Å²	122	129.4 Å²	129.4	75%	0.748	74%	0.743	S	S	*	*			trans	-145.9	144.8	-153.2	-27.2	0	0	0	0	114	V291	T289-V291 HydrophobicContact CG2-CG2 4.06Å
290	A	33.3	Very low	28.3	Very low	95 Å²	95	128.8 Å²	128.8	79%	0.785	74%	0.744	S	S	*	*			trans	-175	107.5	154.2	0	0	0	0	0	107.6
291	V	30	Very low	28	Very low	114 Å²	114	128.4 Å²	128.4	69%	0.691	74%	0.744	S	S	*	*				70.7	106.4	54.5	-159.6	0	0	0	0	115	T289	T289-V291 HydrophobicContact CG2-CG2 4.06Å
292	N	30.6	Very low	27.9	Very low	140 Å²	140	130.7 Å²	130.7	75%	0.749	75%	0.748	S	S	*	*				174.6	116.6	127.5	-88.2	-13.8	0	0	0	109.4
293	S	29.8	Very low	27.9	Very low	91 Å²	91	138.1 Å²	138.1	64%	0.636	76%	0.76	S	S	*	*				81.3	126.8	91.2	-54.5	0	0	0	0	111.4
294	I	31.8	Very low	27.7	Very low	150 Å²	150	137.6 Å²	137.6	77%	0.769	76%	0.761	S	S	*	*			cis	-165.5	158.2	43.8	-104.7	130.9	0	0	0	107.7
295	E	28.4	Very low	27.5	Very low	146 Å²	146	136.6 Å²	136.6	68%	0.682	76%	0.758	S	S	*	*			cis	-174.4	169.6	-23	-149.7	163.2	-132.7	0	0	108.4
296	N	28.6	Very low	27.4	Very low	131 Å²	131	136.7 Å²	136.7	70%	0.701	75%	0.753	S	S	*	*			trans	63.5	138.1	169.6	-56.8	-26.9	0	0	0	119.3
297	C	25.8	Very low	27.2	Very low	92 Å²	92	139.2 Å²	139.2	62%	0.622	75%	0.753	S	S	*	*			cis	-148.3	122.1	-17.6	-108.6	0	0	0	0	107.7
298	Q	25.2	Very low	27.1	Very low	155 Å²	155	137.4 Å²	137.4	72%	0.724	75%	0.748	S	S	*	*				71.1	105	91.1	-70.6	-175.4	9.5	0	0	115
299	T	23.9	Very low	26.9	Very low	123 Å²	123	130.8 Å²	130.8	76%	0.755	73%	0.728	S	S	*	*				64.7	149.8	129.1	65.4	0	0	0	0	119
300	T	25	Very low	26.9	Very low	123 Å²	123	132.9 Å²	132.9	76%	0.755	73%	0.733	S	S	*	*			cis	-138	174.1	26.3	49.9	0	0	0	0	113.7
301	D	23.4	Very low	26.6	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	74%	0.735	S	S	*	*			trans	-49.7	144.8	171.1	-43	-97.2	0	0	0	114.5
302	N	25	Very low	26.4	Very low	152 Å²	152	135.8 Å²	135.8	81%	0.813	73%	0.73	S	S	*	*			trans	-165.8	134.5	135.6	-104.2	-37.2	0	0	0	111.7
303	W	27.5	Very low	26.3	Very low	256 Å²	256	138.5 Å²	138.5	97%	0.97	74%	0.738	S	S	*	*			trans	-70.2	130.8	149.9	-77	-19.4	0	0	0	108.1
304	C	22.9	Very low	26.4	Very low	113 Å²	113	140.8 Å²	140.8	76%	0.764	74%	0.739	S	S	*	*			trans	-153	140.4	159.7	-109.4	0	0	0	0	110.4
305	S	23.2	Very low	26.4	Very low	98 Å²	98	141.1 Å²	141.1	69%	0.685	74%	0.741	S	S	*	*			trans	33.3	120	152.9	-48	0	0	0	0	118.7
306	I	24.7	Very low	26.4	Very low	138 Å²	138	140.4 Å²	140.4	71%	0.708	74%	0.741	S	S	*	*				48.7	93.3	65.8	-52.3	174.7	0	0	0	110.6	E308	I306-E308 HydrophobicContact CG2-CB 3.9Å; I306-E308 HydrophobicContact CG2-CG 3.86Å
307	D	23.8	Very low	26.6	Very low	142 Å²	142	141.3 Å²	141.3	76%	0.759	75%	0.745	S	S	*	*			trans	-103.2	86.2	161.6	-140.2	-39.5	0	0	0	107.9	S309	D307-S309 PolarHBondContact O-N 3.48Å; D307-S309 VanDerWaalsContact OD1-CB 3.23Å; D307-S309 WeakPolarHBondContact OD1-CB 3.25Å; D307-S309 PolarHBondContact OD1-OG 3.45Å
308	E	27.6	Very low	26.9	Very low	155 Å²	155	141.2 Å²	141.2	72%	0.724	75%	0.745	S	S	*	*			trans	-77.2	20.4	-174.2	-121.7	178.6	165.9	0	0	113.1	I306	I306-E308 HydrophobicContact CG2-CB 3.9Å; I306-E308 HydrophobicContact CG2-CG 3.86Å
309	S	26.4	Very low	27.1	Very low	72 Å²	72	141.8 Å²	141.8	50%	0.503	75%	0.753	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.9	-9.3	-152.4	53.9	0	0	0	0	116.1	D307	D307-S309 PolarHBondContact O-N 3.48Å; D307-S309 VanDerWaalsContact OD1-CB 3.23Å; D307-S309 WeakPolarHBondContact OD1-CB 3.25Å; D307-S309 PolarHBondContact OD1-OG 3.45Å
310	I	27.8	Very low	27.6	Very low	166 Å²	166	139.5 Å²	139.5	85%	0.851	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	16.5	-179.5	-45.2	-176.7	0	0	0	111.7
311	L	27.3	Very low	27.7	Very low	157 Å²	157	141.3 Å²	141.3	82%	0.822	76%	0.76	S	S	*	*	S	Bend	trans	-111.1	4.2	171.4	-103.4	167	0	0	0	114.2
312	N	25.2	Very low	28.2	Very low	113 Å²	113	142.2 Å²	142.2	60%	0.604	76%	0.763	S	S	*	*			trans	-137.7	79.6	-178.2	-68.3	-59.1	0	0	0	112.7	E314	N312-E314 PolarHBondContact O-N 2.96Å
313	E	30.1	Very low	28.3	Very low	196 Å²	196	140.4 Å²	140.4	92%	0.916	76%	0.762	S	S	*	*			trans	-89.7	79.2	153.7	-82.8	-157.8	142.5	0	0	109.4	I315	E313-I315 PolarHBondContact O-N 3.43Å
314	E	30.1	Very low	28.5	Very low	140 Å²	140	135.7 Å²	135.7	65%	0.654	75%	0.753	S	S	*	*			trans	-73.5	106.3	168.4	-75	-162.3	114.1	0	0	110.8	N312 L316	N312-E314 PolarHBondContact O-N 2.96Å; E314-L316 HydrophobicContact CB-CD1 4.41Å; E314-L316 HydrophobicContact CB-CG 4.14Å; E314-L316 PolarHBondContact O-N 3.45Å
315	I	32.8	Very low	28.9	Very low	157 Å²	157	136 Å²	136	81%	0.805	75%	0.751	S	S	*	*			trans	-78	77.4	161.5	-55.9	-178.7	0	0	0	108.2	E313 L317	E313-I315 PolarHBondContact O-N 3.43Å; I315-L317 PolarHBondContact O-N 3.04Å; I315-L317 VanDerWaalsContact O-N 3.16Å
316	L	28.3	Very low	29.2	Very low	131 Å²	131	139.6 Å²	139.6	69%	0.686	76%	0.762	S	S	*	*			trans	-71.7	100.1	174.1	-86.5	167.3	0	0	0	110.9	E314	E314-L316 HydrophobicContact CB-CD1 4.41Å; E314-L316 HydrophobicContact CB-CG 4.14Å; E314-L316 PolarHBondContact O-N 3.45Å
317	L	33	Very low	29.6	Very low	149 Å²	149	139.4 Å²	139.4	78%	0.78	77%	0.767	S	S	*	*			trans	-128	84.6	163.4	-77.6	178.1	0	0	0	111.3	I315	I315-L317 PolarHBondContact O-N 3.04Å; I315-L317 VanDerWaalsContact O-N 3.16Å
318	S	31.5	Very low	29.9	Very low	90 Å²	90	140.6 Å²	140.6	63%	0.629	77%	0.768	S	S	*	*			trans	45.5	109.4	150.2	63.2	0	0	0	0	120.1
319	N	29.5	Very low	30.3	Very low	167 Å²	167	140.6 Å²	140.6	89%	0.893	77%	0.773	S	S	*	*			trans	62	114.2	130.1	-52.9	2.7	0	0	0	119
320	G	33.5	Very low	30.7	Very low	76 Å²	76	140.3 Å²	140.3	78%	0.784	78%	0.782	S	S	*	*			trans	172	68.8	168.6	0	0	0	0	0	113.5	I322	G320-I322 PolarHBondContact O-N 2.9Å
321	D	27.7	Very low	31.1	Very low	161 Å²	161	140.8 Å²	140.8	86%	0.861	78%	0.78	S	S	*	*			trans	-58.7	134.8	171.1	-63.1	-75.5	0	0	0	111.5
322	I	34.9	Very low	31.4	Very low	157 Å²	157	138.7 Å²	138.7	81%	0.805	78%	0.778	S	S	*	*			trans	-160.2	120.8	144.3	-95.9	139.4	0	0	0	107.6	G320 M324	G320-I322 PolarHBondContact O-N 2.9Å; I322-M324 HydrophobicContact CG2-CG 3.8Å
323	S	25.7	Very low	32.4	Very low	115 Å²	115	140.9 Å²	140.9	80%	0.804	79%	0.788	S	S	*	*			trans	-101.8	126.7	167.5	-178.2	0	0	0	0	108.2
324	M	33.1	Very low	32.6	Very low	156 Å²	156	138.3 Å²	138.3	77%	0.768	78%	0.781	S	S	*	*			trans	-131.9	111.3	176.8	-78.4	-67.3	-74	0	0	110.7	I322	I322-M324 HydrophobicContact CG2-CG 3.8Å
325	T	30.7	Very low	33	Very low	120 Å²	120	136.7 Å²	136.7	74%	0.736	79%	0.785	S	S	*	*			trans	-73.6	163.1	170.4	46.2	0	0	0	0	111.8
326	L	29.1	Very low	33.3	Very low	173 Å²	173	134.2 Å²	134.2	91%	0.906	78%	0.782	S	S	*	*			trans	-62.8	133.5	177.8	-63	78.8	0	0	0	112.1
327	T	34	Very low	33.8	Very low	134 Å²	134	133.9 Å²	133.9	82%	0.822	79%	0.785	S	S	*	*			trans	-143.2	163.1	150.8	43.3	0	0	0	0	109.6
328	E	29.6	Very low	34.1	Very low	167 Å²	167	131.5 Å²	131.5	78%	0.78	78%	0.781	S	S	*	*			trans	-103.5	169.5	-166	-57.6	170	123.7	0	0	113.6
329	N	36.9	Very low	34.5	Very low	155 Å²	155	132.1 Å²	132.1	83%	0.829	79%	0.785	S	S	*	*			trans	80.6	128.5	156.7	-52.8	-51.7	0	0	0	120.4
330	G	33.9	Very low	35	Very low	66 Å²	66	131.5 Å²	131.5	68%	0.68	78%	0.782	S	S	*	*				115.6	112.7	129.1	0	0	0	0	0	119
331	H	36.2	Very low	34.7	Very low	177 Å²	177	133.9 Å²	133.9	82%	0.819	79%	0.786	S	S	*	*			trans	35.1	116.5	145.4	-60.5	-70.3	0	0	0	120.1
332	S	34.6	Very low	35.1	Very low	112 Å²	112	131.6 Å²	131.6	78%	0.783	78%	0.782	S	S	*	*				63.2	105.4	76.8	-54.4	0	0	0	0	115.2
333	I	45	Very low	35.3	Very low	159 Å²	159	132 Å²	132	82%	0.815	78%	0.784	S	S	*	*				-170.8	128.8	119	-165.6	162.3	0	0	0	114.1
334	D	33.8	Very low	36.1	Very low	142 Å²	142	135.5 Å²	135.5	76%	0.759	79%	0.787	S	S	*	*			trans	13	142.3	152	-54	-10.7	0	0	0	125.8
335	S	38.9	Very low	36.7	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	79%	0.787	S	S	*	*				77.4	100.6	129.9	-73.2	0	0	0	0	123.3
336	S	38.6	Very low	37.5	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	79%	0.794	S	S	*	*				122.3	148.7	99.5	75.1	0	0	0	0	119.6
337	T	38.7	Very low	38.4	Very low	124 Å²	124	134.8 Å²	134.8	76%	0.761	79%	0.792	S	S	*	*			trans	94.3	141	151.8	-46.7	0	0	0	0	119.3
338	S	41.2	Very low	39.7	Very low	99 Å²	99	137.7 Å²	137.7	69%	0.692	79%	0.793	S	S	*	*			trans	61	84.1	165.4	48.1	0	0	0	0	120.1
339	S	39.2	Very low	41.1	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	80%	0.799	S	S	*	*				27.4	110.9	122.9	59	0	0	0	0	119.9
340	N	38.7	Very low	42.6	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	80%	0.8	S	S	*	*				-165.9	155.3	118.6	-104.8	-22.6	0	0	0	114.7
341	C	28	Very low	44.3	Very low	126 Å²	126	149.3 Å²	149.3	85%	0.851	81%	0.808	S	S	*	*			trans	-48.6	127.4	-176.5	-46.7	0	0	0	0	115.1
342	S	36.4	Very low	46.3	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	80%	0.796	S	S	*	*			trans	-157.9	138.6	155.8	38.5	0	0	0	0	114.6
343	I	39.8	Very low	48.7	Very low	165 Å²	165	145.1 Å²	145.1	85%	0.846	80%	0.795	S	S	*	*			trans	-56.6	122.8	-175.7	-61.3	155.9	0	0	0	112.5	S345	I343-S345 PolarHBondContact O-N 3.09Å
344	H	42.5	Very low	50.9	Low	188 Å²	188	139.9 Å²	139.9	87%	0.87	77%	0.767	S	S	*	*			trans	-78.6	97.1	167.8	-83.9	-54.2	0	0	0	111.7
345	S	45.2	Very low	53.7	Low	108 Å²	108	136.4 Å²	136.4	76%	0.755	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-72.8	124	164	49.6	0	0	0	0	110.4	I343 S347	I343-S345 PolarHBondContact O-N 3.09Å; S345-S347 PolarHBondContact O-N 3.14Å
346	K	47.9	Very low	56.2	Low	203 Å²	203	136.3 Å²	136.3	88%	0.883	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-71.5	116.1	174.6	-68.8	-176	179	-178.9	0	109.2	K348	K346-K348 PolarHBondContact O-N 3.32Å
347	S	47	Very low	58.8	Low	124 Å²	124	137.1 Å²	137.1	87%	0.867	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-59.9	127.4	-177.9	-174.7	0	0	0	0	112	S345	S345-S347 PolarHBondContact O-N 3.14Å
348	K	61.2	Low	61.5	Low	194 Å²	194	132.8 Å²	132.8	84%	0.843	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-75.9	127.5	177.1	-71.2	-179.7	179.2	175.7	0	109.5	K346 I350	K346-K348 PolarHBondContact O-N 3.32Å; K348-I350 PolarHBondContact O-N 2.99Å
349	R	58.8	Low	64.1	Low	241 Å²	241	130.9 Å²	130.9	91%	0.909	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-59.5	121.9	175.4	-173.4	-177	-65.6	161.6	0.2	109.9	R351	R349-R351 PolarHBondContact O-N 3.46Å
350	I	69.2	Low	66.7	Low	164 Å²	164	128.6 Å²	128.6	84%	0.841	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-58.1	132.6	178.6	-61.2	174.8	0	0	0	109.7	K348	K348-I350 PolarHBondContact O-N 2.99Å
351	R	70.5	Confident	69.4	Low	227 Å²	227	123.2 Å²	123.2	86%	0.857	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-93.2	130.9	174.9	-175.9	177.1	-178.1	132.6	-4.2	109	R349 S353	R349-R351 PolarHBondContact O-N 3.46Å; R351-S353 PolarHBondContact O-N 3.36Å
352	T	76.8	Confident	72.7	Confident	91 Å²	91	117.2 Å²	117.2	56%	0.558	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-64.4	119.8	171.2	51.2	0	0	0	0	109.8
353	S	85.5	Confident	75.5	Confident	111 Å²	111	116.8 Å²	116.8	78%	0.776	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-82.1	163.5	163.9	-161.3	0	0	0	0	110.4	R351	R351-S353 PolarHBondContact O-N 3.36Å
354	F	91.2	Very high	78.1	Confident	49 Å²	49	111.6 Å²	111.6	22%	0.215	58%	0.581	C	S	.	*			trans	-122.7	140.3	175	-62.1	-78.2	0	0	0	108.4	Q358 L359 L362 L386 V390 W394	F354-Q358 HydrophobicContact CB-CB 4.33Å; F354-L359 HydrophobicContact CB-CD1 4.36Å; F354-L359 HydrophobicContact CB-CD2 3.74Å; F354-L359 HydrophobicContact CB-CG 3.77Å; F354-L359 HydrophobicContact CD2-CD2 4.22Å; F354-L359 HydrophobicContact CG-CD2 4.12Å; F354-L362 HydrophobicContact CD1-CD1 4.29Å; F354-L362 HydrophobicContact CE1-CD1 4.44Å; F354-L386 HydrophobicContact CD1-CD1 3.87Å; F354-L386 HydrophobicContact CD1-CD2 4.15Å; F354-L386 HydrophobicContact CE1-CD1 3.75Å; F354-L386 HydrophobicContact CE1-CD2 4.09Å; F354-V390 HydrophobicContact CE1-CG1 3.64Å; F354-V390 HydrophobicContact CZ-CG1 3.79Å; F354-W394 AromaticContact CE2-CD1 3.75Å; F354-W394 HydrophobicContact CZ-CB 4.48Å; F354-W394 AromaticContact CZ-CD1 3.82Å
355	T	92.7	Very high	80.6	Confident	68 Å²	68	103.3 Å²	103.3	42%	0.417	54%	0.543	S	S	.	.			trans	-72.3	160.5	172.6	71.5	0	0	0	0	110.9	D357 Q358 L359	T355-D357 VanDerWaalsContact C-N 3.28Å; T355-D357 PolarHBondContact O-N 3.4Å; T355-Q358 WeakPolarHBondContact O-CB 3.37Å; T355-Q358 PolarHBondContact O-N 3.27Å; T355-Q358 VanDerWaalsContact O-N 3.1Å; T355-Q358 WeakPolarHBondContact OG1-CG 3.36Å; T355-Q358 PolarHBondContact OG1-N 3.34Å; T355-L359 PolarHBondContact O-N 2.97Å
356	P	91.8	Very high	83	Confident	105 Å²	105	99.2 Å²	99.2	68%	0.682	51%	0.512	S	S	*	.	H	α-helix	trans	-53.3	-43.8	173.2	-28.2	36.8	0	0	0	112.8	Q358 L359 A360	P356-Q358 VanDerWaalsContact C-N 3.32Å; P356-Q358 PolarHBondContact O-N 2.77Å; P356-L359 PolarHBondContact O-N 3.21Å; P356-A360 WeakPolarHBondContact O-CB 3.37Å; P356-A360 PolarHBondContact O-N 3.26Å
357	D	93.2	Very high	85.1	Confident	121 Å²	121	95.7 Å²	95.7	65%	0.647	50%	0.503	S	S	*	.	H	α-helix	trans	-58.3	-42.3	176.3	-53.5	-24.7	0	0	0	112.4	T355 A360 I361	T355-D357 VanDerWaalsContact C-N 3.28Å; T355-D357 PolarHBondContact O-N 3.4Å; D357-A360 PolarHBondContact O-N 2.72Å; D357-I361 WeakPolarHBondContact O-CG1 3.35Å; D357-I361 PolarHBondContact O-N 2.85Å
358	Q	95.8	Very high	87.2	Confident	33 Å²	33	96.3 Å²	96.3	15%	0.154	50%	0.495	C	S	.	.	H	α-helix	trans	-65.1	-43.4	177.7	-72.4	178.3	-31.5	0	0	111.2	F354 T355 P356 I361 L362 A384	F354-Q358 HydrophobicContact CB-CB 4.33Å; T355-Q358 WeakPolarHBondContact O-CB 3.37Å; T355-Q358 PolarHBondContact O-N 3.27Å; T355-Q358 VanDerWaalsContact O-N 3.1Å; T355-Q358 WeakPolarHBondContact OG1-CG 3.36Å; T355-Q358 PolarHBondContact OG1-N 3.34Å; P356-Q358 VanDerWaalsContact C-N 3.32Å; P356-Q358 PolarHBondContact O-N 2.77Å; Q358-I361 PolarHBondContact O-N 2.81Å; Q358-L362 WeakPolarHBondContact O-CB 2.95Å; Q358-L362 WeakPolarHBondContact O-CD1 3.25Å; Q358-L362 WeakPolarHBondContact O-CG 2.92Å; Q358-L362 PolarHBondContact O-N 2.97Å; Q358-A384 WeakPolarHBondContact CG-O 3.34Å; Q358-A384 PolarHBondContact NE2-O 2.82Å
359	L	94.9	Very high	88.6	Confident	59 Å²	59	91.2 Å²	91.2	31%	0.309	47%	0.474	S	S	.	.	H	α-helix	trans	-64.5	-43.6	176.9	-68.3	174.2	0	0	0	111.5	F354 T355 P356 I361 L362 Q363	F354-L359 HydrophobicContact CB-CD1 4.36Å; F354-L359 HydrophobicContact CB-CD2 3.74Å; F354-L359 HydrophobicContact CB-CG 3.77Å; F354-L359 HydrophobicContact CD2-CD2 4.22Å; F354-L359 HydrophobicContact CG-CD2 4.12Å; T355-L359 PolarHBondContact O-N 2.97Å; P356-L359 PolarHBondContact O-N 3.21Å; L359-I361 PolarHBondContact O-N 3.05Å; L359-L362 PolarHBondContact O-N 3.45Å; L359-Q363 WeakPolarHBondContact O-CB 3.34Å; L359-Q363 VanDerWaalsContact O-CG 3.27Å; L359-Q363 WeakPolarHBondContact O-CG 3.49Å; L359-Q363 PolarHBondContact O-N 3.29Å; L359-Q363 PolarHBondContact O-OE1 2.98Å
360	A	94.5	Very high	90.2	Very high	55 Å²	55	81.2 Å²	81.2	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-59.1	-45.2	177.2	0	0	0	0	0	112.1	P356 D357 A364	P356-A360 WeakPolarHBondContact O-CB 3.37Å; P356-A360 PolarHBondContact O-N 3.26Å; D357-A360 PolarHBondContact O-N 2.72Å; A360-A364 VanDerWaalsContact O-CB 3.28Å; A360-A364 WeakPolarHBondContact O-CB 3.31Å; A360-A364 PolarHBondContact O-N 2.78Å
361	I	95.1	Very high	91.4	Very high	43 Å²	43	78.3 Å²	78.3	22%	0.221	43%	0.429	C	S	.	.	H	α-helix	trans	-62.8	-46	174.7	-67.3	167	0	0	0	110.7	D357 Q358 L359 N365 M383 A384	D357-I361 WeakPolarHBondContact O-CG1 3.35Å; D357-I361 PolarHBondContact O-N 2.85Å; Q358-I361 PolarHBondContact O-N 2.81Å; L359-I361 PolarHBondContact O-N 3.05Å; I361-N365 PolarHBondContact O-N 2.9Å; I361-N365 PolarHBondContact O-ND2 3.4Å; I361-M383 HydrophobicContact CG2-CB 3.92Å; I361-A384 HydrophobicContact CB-CB 4.49Å; I361-A384 HydrophobicContact CG2-CB 4.08Å
362	L	97	Very high	92.5	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-65.5	-40	-178.6	-70.8	165.3	0	0	0	112.5	F354 Q358 L359 F366 I380 L386 T391 W394 F395	F354-L362 HydrophobicContact CD1-CD1 4.29Å; F354-L362 HydrophobicContact CE1-CD1 4.44Å; Q358-L362 WeakPolarHBondContact O-CB 2.95Å; Q358-L362 WeakPolarHBondContact O-CD1 3.25Å; Q358-L362 WeakPolarHBondContact O-CG 2.92Å; Q358-L362 PolarHBondContact O-N 2.97Å; L359-L362 PolarHBondContact O-N 3.45Å; L362-F366 WeakPolarHBondContact O-CB 3.45Å; L362-F366 PolarHBondContact O-N 3.47Å; L362-F366 VanDerWaalsContact O-N 3.1Å; L362-I380 HydrophobicContact CD2-CG2 4.12Å; L362-L386 HydrophobicContact CD1-CD1 3.8Å; L362-L386 HydrophobicContact CD2-CD1 4.47Å; L362-L386 HydrophobicContact CG-CD1 4.48Å; L362-T391 HydrophobicContact CD2-CG2 3.81Å; L362-W394 HydrophobicContact CB-CD2 3.91Å; L362-W394 HydrophobicContact CB-CE3 3.92Å; L362-W394 HydrophobicContact CB-CH2 3.75Å; L362-W394 HydrophobicContact CB-CZ2 3.69Å; L362-W394 HydrophobicContact CB-CZ3 3.86Å; L362-W394 HydrophobicContact CD1-CD2 3.93Å; L362-W394 HydrophobicContact CD1-CG 3.84Å; L362-W394 HydrophobicContact CD2-CD2 4.28Å; L362-W394 HydrophobicContact CD2-CE3 4.21Å; L362-W394 HydrophobicContact CD2-CG 4.49Å; L362-W394 HydrophobicContact CG-CD2 4.27Å; L362-W394 HydrophobicContact CG-CE3 4.48Å; L362-W394 WeakPolarHBondContact O-CZ3 3.24Å; L362-F395 HydrophobicContact CD2-CD2 4.49Å; L362-F395 HydrophobicContact CD2-CE2 3.98Å
363	Q	94.7	Very high	93.3	Very high	104 Å²	104	68.2 Å²	68.2	49%	0.486	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-51	176.7	-72.1	170.1	-62.6	0	0	111.5	L359 N365 F366 D367 W394	L359-Q363 WeakPolarHBondContact O-CB 3.34Å; L359-Q363 VanDerWaalsContact O-CG 3.27Å; L359-Q363 WeakPolarHBondContact O-CG 3.49Å; L359-Q363 PolarHBondContact O-N 3.29Å; L359-Q363 PolarHBondContact O-OE1 2.98Å; Q363-N365 PolarHBondContact O-N 3.34Å; Q363-N365 VanDerWaalsContact O-N 3.15Å; Q363-F366 WeakPolarHBondContact O-CA 3.26Å; Q363-F366 WeakPolarHBondContact O-CB 3.47Å; Q363-F366 PolarHBondContact O-N 3.14Å; Q363-D367 PolarHBondContact O-N 3.16Å; Q363-W394 HydrophobicContact CG-CH2 4.1Å; Q363-W394 HydrophobicContact CG-CZ2 4.06Å
364	A	95.2	Very high	93.7	Very high	56 Å²	56	65.3 Å²	65.3	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-57.4	-34.2	-178.9	0	0	0	0	0	113.3	A360 I368	A360-A364 VanDerWaalsContact O-CB 3.28Å; A360-A364 WeakPolarHBondContact O-CB 3.31Å; A360-A364 PolarHBondContact O-N 2.78Å; A364-I368 WeakPolarHBondContact O-CD1 3.34Å; A364-I368 WeakPolarHBondContact O-CG1 3.18Å
365	N	94.7	Very high	93.9	Very high	13 Å²	13	70.5 Å²	70.5	7%	0.07	40%	0.402	C	S	.	.	H	α-helix	trans	-83.1	-26.8	175.3	-65.1	-86.3	0	0	0	112.9	I361 Q363 I368 E369 R379 I380 F395	I361-N365 PolarHBondContact O-N 2.9Å; I361-N365 PolarHBondContact O-ND2 3.4Å; Q363-N365 PolarHBondContact O-N 3.34Å; Q363-N365 VanDerWaalsContact O-N 3.15Å; N365-I368 PolarHBondContact O-N 2.96Å; N365-E369 PolarHBondContact O-N 3.03Å; N365-R379 PolarHBondContact OD1-NH2 2.93Å; N365-I380 HydrophobicContact CB-CD1 3.68Å; N365-I380 HydrophobicContact CB-CG1 3.87Å; N365-I380 HydrophobicContact CB-CG2 4.37Å; N365-F395 HydrophobicContact CB-CZ 4.35Å
366	F	96.1	Very high	93.9	Very high	23 Å²	23	69.4 Å²	69.4	10%	0.101	39%	0.392	C	S	.	.	H	α-helix	trans	-68.5	-34	174.5	-178.2	-95.6	0	0	0	113.4	L362 Q363 I368 E369 A370 W394 F395 A398 R399 K402	L362-F366 WeakPolarHBondContact O-CB 3.45Å; L362-F366 PolarHBondContact O-N 3.47Å; L362-F366 VanDerWaalsContact O-N 3.1Å; Q363-F366 WeakPolarHBondContact O-CA 3.26Å; Q363-F366 WeakPolarHBondContact O-CB 3.47Å; Q363-F366 PolarHBondContact O-N 3.14Å; F366-I368 VanDerWaalsContact C-N 3.32Å; F366-E369 CarbonylContact O-C 3.43Å; F366-A370 HydrophobicContact CD2-CB 4.24Å; F366-A370 HydrophobicContact CE2-CB 3.92Å; F366-A370 HydrophobicContact CZ-CB 4.19Å; F366-A370 PolarHBondContact O-N 2.8Å; F366-W394 HydrophobicContact CB-CH2 4.17Å; F366-W394 HydrophobicContact CB-CZ3 3.93Å; F366-W394 HydrophobicContact CD2-CZ3 4.09Å; F366-W394 HydrophobicContact CG-CH2 4.45Å; F366-W394 HydrophobicContact CG-CZ3 4.18Å; F366-F395 HydrophobicContact CB-CE1 3.97Å; F366-F395 HydrophobicContact CB-CZ 4.3Å; F366-F395 AromaticContact CD2-CD1 3.78Å; F366-F395 HydrophobicContact CD2-CD1 3.78Å; F366-F395 AromaticContact CD2-CE1 3.91Å; F366-F395 HydrophobicContact CD2-CE1 3.91Å; F366-F395 HydrophobicContact CG-CE1 4.45Å; F366-A398 HydrophobicContact CD2-CB 3.75Å; F366-A398 HydrophobicContact CE1-CB 4.45Å; F366-A398 HydrophobicContact CE2-CB 3.4Å; F366-A398 HydrophobicContact CG-CB 4.42Å; F366-A398 HydrophobicContact CZ-CB 3.79Å; F366-R399 HydrophobicContact CE2-CG 3.82Å; F366-R399 HydrophobicContact CZ-CG 4.29Å; F366-K402 HydrophobicContact CE1-CD 4.09Å; F366-K402 HydrophobicContact CZ-CB 4.35Å; F366-K402 HydrophobicContact CZ-CD 4.16Å
367	D	91.2	Very high	94.1	Very high	129 Å²	129	65.1 Å²	65.1	69%	0.69	36%	0.363	S	S	*	.	H	α-helix	trans	-76.8	-21.3	177.1	-63.6	-34	0	0	0	112.4	Q363	Q363-D367 PolarHBondContact O-N 3.16Å
368	I	92	Very high	94.3	Very high	136 Å²	136	64 Å²	64	70%	0.697	35%	0.354	S	S	*	.	H	α-helix	trans	-78.6	-57.3	168.3	-64.6	166.7	0	0	0	110.2	A364 N365 F366	A364-I368 WeakPolarHBondContact O-CD1 3.34Å; A364-I368 WeakPolarHBondContact O-CG1 3.18Å; N365-I368 PolarHBondContact O-N 2.96Å; F366-I368 VanDerWaalsContact C-N 3.32Å
369	E	89.8	Confident	94.3	Very high	88 Å²	88	67.8 Å²	67.8	41%	0.411	37%	0.367	S	S	.	.			trans	-140.2	111.9	178.9	-175.8	171.1	-143.6	0	0	111.3	N365 F366 N371 P372 F395	N365-E369 PolarHBondContact O-N 3.03Å; F366-E369 CarbonylContact O-C 3.43Å; E369-N371 PolarHBondContact O-N 3.43Å; E369-P372 WeakPolarHBondContact O-CD 3.36Å; E369-P372 WeakPolarHBondContact OE2-CA 3.2Å; E369-F395 WeakPolarHBondContact O-CE1 3.4Å
370	A	92.4	Very high	94.4	Very high	30 Å²	30	65 Å²	65	25%	0.248	35%	0.353	C	S	.	.	S	Bend	trans	-72.4	-13	177.9	0	0	0	0	0	113.8	F366 R399	F366-A370 HydrophobicContact CD2-CB 4.24Å; F366-A370 HydrophobicContact CE2-CB 3.92Å; F366-A370 HydrophobicContact CZ-CB 4.19Å; F366-A370 PolarHBondContact O-N 2.8Å; A370-R399 HydrophobicContact CB-CG 4.47Å; A370-R399 VanDerWaalsContact O-CD 3.31Å; A370-R399 WeakPolarHBondContact O-CD 3.44Å; A370-R399 PolarHBondContact O-NH1 2.85Å
371	N	94.2	Very high	94.5	Very high	104 Å²	104	62.6 Å²	62.6	56%	0.556	33%	0.332	S	S	*	.	S	Bend	trans	-127.3	54.8	-176.4	-81.2	-24.7	0	0	0	112.4	E369 R399	E369-N371 PolarHBondContact O-N 3.43Å; N371-R399 WeakPolarHBondContact OD1-CD 3.45Å; N371-R399 PolarHBondContact OD1-NE 3.42Å; N371-R399 VanDerWaalsContact OD1-NE 3.14Å; N371-R399 PolarHBondContact OD1-NH1 2.95Å
372	P	93.6	Very high	94.5	Very high	18 Å²	18	63.1 Å²	63.1	12%	0.117	35%	0.349	C	S	.	.			trans	-60.1	142.9	-173	28	-36.7	0	0	0	112.3	E369 E376 L377 I380 F395	E369-P372 WeakPolarHBondContact O-CD 3.36Å; E369-P372 WeakPolarHBondContact OE2-CA 3.2Å; P372-E376 HydrophobicContact CB-CB 4.19Å; P372-E376 HydrophobicContact CB-CG 3.73Å; P372-L377 HydrophobicContact CG-CD1 4.19Å; P372-I380 HydrophobicContact CB-CD1 3.98Å; P372-I380 HydrophobicContact CG-CD1 4.27Å; P372-F395 VanDerWaalsContact CD-CD1 3.41Å; P372-F395 HydrophobicContact CG-CD1 3.64Å; P372-F395 HydrophobicContact CG-CE1 3.59Å; P372-F395 HydrophobicContact CG-CE2 4.48Å; P372-F395 HydrophobicContact CG-CG 4.12Å; P372-F395 HydrophobicContact CG-CZ 4.05Å
373	D	94.4	Very high	94.4	Very high	87 Å²	87	67.7 Å²	67.7	47%	0.465	37%	0.371	S	S	.	.			trans	-72.7	-178.6	-176.4	101.8	-24.4	0	0	0	113.4	Q375 E376 L377	D373-Q375 VanDerWaalsContact C-N 3.26Å; D373-Q375 PolarHBondContact O-N 3.23Å; D373-Q375 WeakPolarHBondContact OD1-CA 3.43Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.44Å; D373-Q375 PolarHBondContact OD1-N 3.18Å; D373-E376 WeakPolarHBondContact OD1-CB 3.41Å; D373-E376 PolarHBondContact OD1-N 3.09Å; D373-L377 WeakPolarHBondContact O-CB 3.49Å; D373-L377 PolarHBondContact O-N 3.01Å
374	G	93.5	Very high	94.4	Very high	50 Å²	50	62.8 Å²	62.8	52%	0.515	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.7	-177.7	0	0	0	0	0	115.6	K388	G374-K388 WeakPolarHBondContact O-CE 3.45Å; G374-K388 PolarHBondContact O-NZ 2.83Å
375	Q	94.7	Very high	94.4	Very high	158 Å²	158	69 Å²	69	74%	0.738	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-46.1	178.6	-53.4	-174.3	26.5	0	0	110.6	D373 L377 E378 R379	D373-Q375 VanDerWaalsContact C-N 3.26Å; D373-Q375 PolarHBondContact O-N 3.23Å; D373-Q375 WeakPolarHBondContact OD1-CA 3.43Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.44Å; D373-Q375 PolarHBondContact OD1-N 3.18Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.29Å; Q375-E378 WeakPolarHBondContact O-CA 3.06Å; Q375-E378 WeakPolarHBondContact O-CB 2.91Å; Q375-E378 PolarHBondContact O-N 3.12Å; Q375-R379 PolarHBondContact O-N 3.35Å
376	E	93.6	Very high	94.4	Very high	46 Å²	46	69.8 Å²	69.8	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-62	-40.8	179.4	177.1	58.1	-171.3	0	0	111.4	P372 D373 E378 R379 I380	P372-E376 HydrophobicContact CB-CB 4.19Å; P372-E376 HydrophobicContact CB-CG 3.73Å; D373-E376 WeakPolarHBondContact OD1-CB 3.41Å; D373-E376 PolarHBondContact OD1-N 3.09Å; E376-E378 PolarHBondContact O-N 3.19Å; E376-R379 WeakPolarHBondContact O-CB 3.29Å; E376-R379 PolarHBondContact O-N 3.31Å; E376-R379 VanDerWaalsContact O-N 3.15Å; E376-R379 IonicContact OE1-CZ 3.6Å; E376-R379 IonicContact OE1-NE 3.49Å; E376-R379 PolarHBondContact OE1-NE 3.24Å; E376-R379 IonicContact OE1-NH2 2.64Å; E376-R379 PolarHBondContact OE1-NH2 2.92Å; E376-R379 IonicContact OE2-CZ 3.34Å; E376-R379 IonicContact OE2-NE 2.73Å; E376-R379 PolarHBondContact OE2-NE 3.16Å; E376-R379 IonicContact OE2-NH2 2.82Å; E376-R379 PolarHBondContact OE2-NH2 3.17Å; E376-I380 HydrophobicContact CG-CD1 3.91Å; E376-I380 VanDerWaalsContact O-CG1 3.27Å; E376-I380 WeakPolarHBondContact O-CG1 3.36Å; E376-I380 PolarHBondContact O-N 3.35Å
377	L	95.9	Very high	94.3	Very high	14 Å²	14	74.8 Å²	74.8	7%	0.073	40%	0.397	C	S	.	.	H	α-helix	trans	-61.2	-30.4	172.5	-175.8	67.5	0	0	0	113	P372 D373 Q375 A381 K388 T391 Q392 F395	P372-L377 HydrophobicContact CG-CD1 4.19Å; D373-L377 WeakPolarHBondContact O-CB 3.49Å; D373-L377 PolarHBondContact O-N 3.01Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.29Å; L377-A381 WeakPolarHBondContact O-CB 3.38Å; L377-A381 PolarHBondContact O-N 3.4Å; L377-K388 HydrophobicContact CD2-CG 4.15Å; L377-K388 HydrophobicContact CG-CG 4.17Å; L377-T391 HydrophobicContact CD1-CG2 3.58Å; L377-Q392 HydrophobicContact CD2-CB 3.97Å; L377-Q392 HydrophobicContact CD2-CG 4Å; L377-F395 HydrophobicContact CD1-CD2 4.41Å
378	E	96.1	Very high	94.4	Very high	98 Å²	98	72 Å²	72	46%	0.458	38%	0.379	S	S	.	.	H	α-helix	trans	-72.9	-42.3	174.4	-154.6	81	-91.3	0	0	110.9	Q375 E376 A381 G382 K388	Q375-E378 WeakPolarHBondContact O-CA 3.06Å; Q375-E378 WeakPolarHBondContact O-CB 2.91Å; Q375-E378 PolarHBondContact O-N 3.12Å; E376-E378 PolarHBondContact O-N 3.19Å; E378-A381 PolarHBondContact O-N 2.84Å; E378-G382 PolarHBondContact O-N 3.41Å; E378-K388 WeakPolarHBondContact OE1-CB 3.24Å; E378-K388 VanDerWaalsContact OE1-CD 3.28Å; E378-K388 WeakPolarHBondContact OE1-CD 3.42Å; E378-K388 WeakPolarHBondContact OE1-CG 3.47Å; E378-K388 IonicContact OE1-NZ 3.94Å; E378-K388 WeakPolarHBondContact OE2-CD 3.39Å; E378-K388 VanDerWaalsContact OE2-CE 3.32Å; E378-K388 WeakPolarHBondContact OE2-CE 3.45Å; E378-K388 IonicContact OE2-NZ 2.66Å; E378-K388 PolarHBondContact OE2-NZ 3.39Å
379	R	96.5	Very high	94.6	Very high	113 Å²	113	74.7 Å²	74.7	43%	0.426	38%	0.38	S	S	.	.	H	α-helix	trans	-59.2	-47.8	175	-169.8	-170.4	70.3	78.4	3.7	111.4	N365 Q375 E376 G382 M383	N365-R379 PolarHBondContact OD1-NH2 2.93Å; Q375-R379 PolarHBondContact O-N 3.35Å; E376-R379 WeakPolarHBondContact O-CB 3.29Å; E376-R379 PolarHBondContact O-N 3.31Å; E376-R379 VanDerWaalsContact O-N 3.15Å; E376-R379 IonicContact OE1-CZ 3.6Å; E376-R379 IonicContact OE1-NE 3.49Å; E376-R379 PolarHBondContact OE1-NE 3.24Å; E376-R379 IonicContact OE1-NH2 2.64Å; E376-R379 PolarHBondContact OE1-NH2 2.92Å; E376-R379 IonicContact OE2-CZ 3.34Å; E376-R379 IonicContact OE2-NE 2.73Å; E376-R379 PolarHBondContact OE2-NE 3.16Å; E376-R379 IonicContact OE2-NH2 2.82Å; E376-R379 PolarHBondContact OE2-NH2 3.17Å; R379-G382 PolarHBondContact O-N 3.3Å; R379-M383 PolarHBondContact NH1-SD 3.47Å; R379-M383 WeakPolarHBondContact O-CG 3.4Å; R379-M383 PolarHBondContact O-N 2.91Å
380	I	96.2	Very high	94.8	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-65	-42.2	178.3	-61.9	161.5	0	0	0	110.8	L362 N365 P372 E376 G382 M383 A384 T391 F395	L362-I380 HydrophobicContact CD2-CG2 4.12Å; N365-I380 HydrophobicContact CB-CD1 3.68Å; N365-I380 HydrophobicContact CB-CG1 3.87Å; N365-I380 HydrophobicContact CB-CG2 4.37Å; P372-I380 HydrophobicContact CB-CD1 3.98Å; P372-I380 HydrophobicContact CG-CD1 4.27Å; E376-I380 HydrophobicContact CG-CD1 3.91Å; E376-I380 VanDerWaalsContact O-CG1 3.27Å; E376-I380 WeakPolarHBondContact O-CG1 3.36Å; E376-I380 PolarHBondContact O-N 3.35Å; I380-G382 PolarHBondContact O-N 3.34Å; I380-M383 PolarHBondContact O-N 3.19Å; I380-A384 WeakPolarHBondContact O-CB 3.4Å; I380-A384 PolarHBondContact O-N 2.89Å; I380-T391 HydrophobicContact CB-CG2 4.41Å; I380-T391 HydrophobicContact CG2-CG2 3.95Å; I380-F395 HydrophobicContact CD1-CE2 4.42Å; I380-F395 HydrophobicContact CD1-CZ 4Å; I380-F395 HydrophobicContact CG2-CE2 4.09Å; I380-F395 HydrophobicContact CG2-CZ 4.46Å
381	A	96.7	Very high	95	Very high	3 Å²	3	71 Å²	71	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-43.2	175.6	0	0	0	0	0	112.2	L377 E378 K385 L386 T391	L377-A381 WeakPolarHBondContact O-CB 3.38Å; L377-A381 PolarHBondContact O-N 3.4Å; E378-A381 PolarHBondContact O-N 2.84Å; A381-K385 PolarHBondContact O-N 3.14Å; A381-L386 WeakPolarHBondContact CB-O 3.24Å; A381-L386 PolarHBondContact O-N 3.1Å; A381-T391 HydrophobicContact CB-CG2 4.33Å; A381-T391 WeakPolarHBondContact CB-OG1 3.45Å
382	G	96.2	Very high	95.1	Very high	55 Å²	55	70.1 Å²	70.1	57%	0.567	35%	0.353	S	S	*	.	H	α-helix	trans	-61.4	-47	173.8	0	0	0	0	0	113.1	E378 R379 I380 K385	E378-G382 PolarHBondContact O-N 3.41Å; R379-G382 PolarHBondContact O-N 3.3Å; I380-G382 PolarHBondContact O-N 3.34Å; G382-K385 PolarHBondContact O-N 2.81Å
383	M	94.8	Very high	95.1	Very high	95 Å²	95	72 Å²	72	47%	0.468	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-46.9	176.9	-75.5	-175.5	66.5	0	0	112.6	I361 R379 I380 K385	I361-M383 HydrophobicContact CG2-CB 3.92Å; R379-M383 PolarHBondContact NH1-SD 3.47Å; R379-M383 WeakPolarHBondContact O-CG 3.4Å; R379-M383 PolarHBondContact O-N 2.91Å; I380-M383 PolarHBondContact O-N 3.19Å; M383-K385 PolarHBondContact O-N 2.81Å
384	A	94.4	Very high	95.2	Very high	2 Å²	2	68.9 Å²	68.9	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-75.2	-6	179	0	0	0	0	0	113.5	Q358 I361 I380 L386	Q358-A384 WeakPolarHBondContact CG-O 3.34Å; Q358-A384 PolarHBondContact NE2-O 2.82Å; I361-A384 HydrophobicContact CB-CB 4.49Å; I361-A384 HydrophobicContact CG2-CB 4.08Å; I380-A384 WeakPolarHBondContact O-CB 3.4Å; I380-A384 PolarHBondContact O-N 2.89Å; A384-L386 VanDerWaalsContact C-N 3.28Å; A384-L386 HydrophobicContact CB-CB 4.41Å; A384-L386 HydrophobicContact CB-CD1 3.79Å; A384-L386 HydrophobicContact CB-CG 4.03Å; A384-L386 PolarHBondContact O-N 2.91Å
385	K	95.5	Very high	95.4	Very high	186 Å²	186	66.6 Å²	66.6	81%	0.809	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	44.2	-173.9	-53.7	173.3	-175	170.5	0	111.9	A381 G382 M383	A381-K385 PolarHBondContact O-N 3.14Å; G382-K385 PolarHBondContact O-N 2.81Å; M383-K385 PolarHBondContact O-N 2.81Å
386	L	93.7	Very high	95.4	Very high	30 Å²	30	63.3 Å²	63.3	16%	0.157	31%	0.306	C	S	.	.			trans	-121.2	150.7	-178.9	-69.9	172.1	0	0	0	110.7	F354 L362 A381 A384 V390	F354-L386 HydrophobicContact CD1-CD1 3.87Å; F354-L386 HydrophobicContact CD1-CD2 4.15Å; F354-L386 HydrophobicContact CE1-CD1 3.75Å; F354-L386 HydrophobicContact CE1-CD2 4.09Å; L362-L386 HydrophobicContact CD1-CD1 3.8Å; L362-L386 HydrophobicContact CD2-CD1 4.47Å; L362-L386 HydrophobicContact CG-CD1 4.48Å; A381-L386 WeakPolarHBondContact CB-O 3.24Å; A381-L386 PolarHBondContact O-N 3.1Å; A384-L386 VanDerWaalsContact C-N 3.28Å; A384-L386 HydrophobicContact CB-CB 4.41Å; A384-L386 HydrophobicContact CB-CD1 3.79Å; A384-L386 HydrophobicContact CB-CG 4.03Å; A384-L386 PolarHBondContact O-N 2.91Å; L386-V390 HydrophobicContact CD2-CG1 4.36Å
387	N	94.3	Very high	95.5	Very high	127 Å²	127	64.9 Å²	64.9	68%	0.679	32%	0.316	S	S	*	.			trans	-64.6	138.3	171.5	-56.9	74.5	0	0	0	110.5	R389 V390 T391	N387-R389 PolarHBondContact O-N 3.32Å; N387-V390 HydrophobicContact CB-CG2 4.2Å; N387-V390 WeakPolarHBondContact O-CA 3.4Å; N387-V390 WeakPolarHBondContact O-CB 3.42Å; N387-V390 PolarHBondContact O-N 3.12Å; N387-T391 PolarHBondContact O-N 3.35Å; N387-T391 VanDerWaalsContact O-N 3.14Å; N387-T391 PolarHBondContact O-OG1 3.06Å
388	K	94.1	Very high	95.4	Very high	71 Å²	71	64.5 Å²	64.5	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-44	-42.6	178.4	-163.7	-176.9	-156.8	159.2	0	114.2	G374 L377 E378 T391 Q392	G374-K388 WeakPolarHBondContact O-CE 3.45Å; G374-K388 PolarHBondContact O-NZ 2.83Å; L377-K388 HydrophobicContact CD2-CG 4.15Å; L377-K388 HydrophobicContact CG-CG 4.17Å; E378-K388 WeakPolarHBondContact OE1-CB 3.24Å; E378-K388 VanDerWaalsContact OE1-CD 3.28Å; E378-K388 WeakPolarHBondContact OE1-CD 3.42Å; E378-K388 WeakPolarHBondContact OE1-CG 3.47Å; E378-K388 IonicContact OE1-NZ 3.94Å; E378-K388 WeakPolarHBondContact OE2-CD 3.39Å; E378-K388 VanDerWaalsContact OE2-CE 3.32Å; E378-K388 WeakPolarHBondContact OE2-CE 3.45Å; E378-K388 IonicContact OE2-NZ 2.66Å; E378-K388 PolarHBondContact OE2-NZ 3.39Å; K388-T391 PolarHBondContact O-N 3.14Å; K388-Q392 WeakPolarHBondContact O-CB 3.47Å; K388-Q392 PolarHBondContact O-N 3.15Å
389	R	95	Very high	95.4	Very high	193 Å²	193	63.8 Å²	63.8	73%	0.728	31%	0.308	S	S	*	.	H	α-helix	trans	-65.5	-36.3	178.3	-169.8	-179.5	-177.6	100.4	-0.5	113.1	N387 Q392 V393	N387-R389 PolarHBondContact O-N 3.32Å; R389-Q392 PolarHBondContact O-N 2.86Å; R389-V393 WeakPolarHBondContact O-CB 3.44Å; R389-V393 VanDerWaalsContact O-CG2 3.28Å; R389-V393 WeakPolarHBondContact O-CG2 3.24Å; R389-V393 PolarHBondContact O-N 3.12Å
390	V	95.4	Very high	94.9	Very high	40 Å²	40	61.3 Å²	61.3	24%	0.242	31%	0.312	C	S	.	.	H	α-helix	trans	-69.3	-45.2	176.6	178.8	0	0	0	0	109.7	F354 L386 N387 Q392 V393 W394	F354-V390 HydrophobicContact CE1-CG1 3.64Å; F354-V390 HydrophobicContact CZ-CG1 3.79Å; L386-V390 HydrophobicContact CD2-CG1 4.36Å; N387-V390 HydrophobicContact CB-CG2 4.2Å; N387-V390 WeakPolarHBondContact O-CA 3.4Å; N387-V390 WeakPolarHBondContact O-CB 3.42Å; N387-V390 PolarHBondContact O-N 3.12Å; V390-Q392 PolarHBondContact O-N 2.87Å; V390-V393 PolarHBondContact O-N 2.94Å; V390-W394 WeakPolarHBondContact O-CB 3.41Å; V390-W394 PolarHBondContact O-N 3.26Å
391	T	95.5	Very high	94.4	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-56.9	-48.5	171.9	-46.7	0	0	0	0	111	L362 L377 I380 A381 N387 K388 V393 W394 F395	L362-T391 HydrophobicContact CD2-CG2 3.81Å; L377-T391 HydrophobicContact CD1-CG2 3.58Å; I380-T391 HydrophobicContact CB-CG2 4.41Å; I380-T391 HydrophobicContact CG2-CG2 3.95Å; A381-T391 HydrophobicContact CB-CG2 4.33Å; A381-T391 WeakPolarHBondContact CB-OG1 3.45Å; N387-T391 PolarHBondContact O-N 3.35Å; N387-T391 VanDerWaalsContact O-N 3.14Å; N387-T391 PolarHBondContact O-OG1 3.06Å; K388-T391 PolarHBondContact O-N 3.14Å; T391-V393 PolarHBondContact O-N 3.32Å; T391-W394 WeakPolarHBondContact O-CB 3.47Å; T391-W394 PolarHBondContact O-N 3.48Å; T391-W394 VanDerWaalsContact O-N 3.14Å; T391-F395 HydrophobicContact CG2-CD2 4.1Å; T391-F395 HydrophobicContact CG2-CE2 4.08Å; T391-F395 WeakPolarHBondContact O-CD2 3.21Å; T391-F395 PolarHBondContact O-N 3.44Å
392	Q	95.9	Very high	94	Very high	86 Å²	86	71.6 Å²	71.6	40%	0.402	35%	0.353	S	S	.	.	H	α-helix	trans	-56.8	-46.8	177.9	-164	-174	22.3	0	0	112.3	L377 K388 R389 V390 F395 Q396	L377-Q392 HydrophobicContact CD2-CB 3.97Å; L377-Q392 HydrophobicContact CD2-CG 4Å; K388-Q392 WeakPolarHBondContact O-CB 3.47Å; K388-Q392 PolarHBondContact O-N 3.15Å; R389-Q392 PolarHBondContact O-N 2.86Å; V390-Q392 PolarHBondContact O-N 2.87Å; Q392-F395 PolarHBondContact O-N 3.21Å; Q392-Q396 VanDerWaalsContact O-CG 3.3Å; Q392-Q396 WeakPolarHBondContact O-CG 3.25Å; Q392-Q396 PolarHBondContact O-N 3.39Å
393	V	95.5	Very high	93.2	Very high	58 Å²	58	71.6 Å²	71.6	35%	0.352	34%	0.337	S	S	.	.	H	α-helix	trans	-68.8	-34.8	177.9	168	0	0	0	0	111.3	R389 V390 T391 Q396 N397	R389-V393 WeakPolarHBondContact O-CB 3.44Å; R389-V393 VanDerWaalsContact O-CG2 3.28Å; R389-V393 WeakPolarHBondContact O-CG2 3.24Å; R389-V393 PolarHBondContact O-N 3.12Å; V390-V393 PolarHBondContact O-N 2.94Å; T391-V393 PolarHBondContact O-N 3.32Å; V393-Q396 PolarHBondContact O-N 3.36Å; V393-N397 WeakPolarHBondContact CG1-ND2 3.41Å; V393-N397 VanDerWaalsContact O-CB 3.3Å; V393-N397 WeakPolarHBondContact O-CB 3.39Å; V393-N397 PolarHBondContact O-N 2.76Å; V393-N397 PolarHBondContact O-ND2 3.24Å
394	W	96.5	Very high	92.1	Very high	20 Å²	20	74 Å²	74	8%	0.076	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-47	172.4	-172.9	104.1	0	0	0	111.1	F354 L362 Q363 F366 V390 T391 N397 A398	F354-W394 AromaticContact CE2-CD1 3.75Å; F354-W394 HydrophobicContact CZ-CB 4.48Å; F354-W394 AromaticContact CZ-CD1 3.82Å; L362-W394 HydrophobicContact CB-CD2 3.91Å; L362-W394 HydrophobicContact CB-CE3 3.92Å; L362-W394 HydrophobicContact CB-CH2 3.75Å; L362-W394 HydrophobicContact CB-CZ2 3.69Å; L362-W394 HydrophobicContact CB-CZ3 3.86Å; L362-W394 HydrophobicContact CD1-CD2 3.93Å; L362-W394 HydrophobicContact CD1-CG 3.84Å; L362-W394 HydrophobicContact CD2-CD2 4.28Å; L362-W394 HydrophobicContact CD2-CE3 4.21Å; L362-W394 HydrophobicContact CD2-CG 4.49Å; L362-W394 HydrophobicContact CG-CD2 4.27Å; L362-W394 HydrophobicContact CG-CE3 4.48Å; L362-W394 WeakPolarHBondContact O-CZ3 3.24Å; Q363-W394 HydrophobicContact CG-CH2 4.1Å; Q363-W394 HydrophobicContact CG-CZ2 4.06Å; F366-W394 HydrophobicContact CB-CH2 4.17Å; F366-W394 HydrophobicContact CB-CZ3 3.93Å; F366-W394 HydrophobicContact CD2-CZ3 4.09Å; F366-W394 HydrophobicContact CG-CH2 4.45Å; F366-W394 HydrophobicContact CG-CZ3 4.18Å; V390-W394 WeakPolarHBondContact O-CB 3.41Å; V390-W394 PolarHBondContact O-N 3.26Å; T391-W394 WeakPolarHBondContact O-CB 3.47Å; T391-W394 PolarHBondContact O-N 3.48Å; T391-W394 VanDerWaalsContact O-N 3.14Å; W394-N397 CarbonylContact O-C 3.59Å; W394-N397 PolarHBondContact O-N 3.08Å; W394-A398 HydrophobicContact CE3-CB 3.98Å; W394-A398 HydrophobicContact CH2-CB 4.04Å; W394-A398 HydrophobicContact CZ3-CB 3.7Å; W394-A398 WeakPolarHBondContact O-CB 3.45Å; W394-A398 PolarHBondContact O-N 3.3Å
395	F	97.4	Very high	91.1	Very high	3 Å²	3	79.6 Å²	79.6	1%	0.013	37%	0.373	C	S	.	.	H	α-helix	trans	-64.1	-41.7	177.3	-89.9	-99	0	0	0	112.3	L362 N365 F366 E369 P372 L377 I380 T391 Q392 N397 A398 R399	L362-F395 HydrophobicContact CD2-CD2 4.49Å; L362-F395 HydrophobicContact CD2-CE2 3.98Å; N365-F395 HydrophobicContact CB-CZ 4.35Å; F366-F395 HydrophobicContact CB-CE1 3.97Å; F366-F395 HydrophobicContact CB-CZ 4.3Å; F366-F395 AromaticContact CD2-CD1 3.78Å; F366-F395 HydrophobicContact CD2-CD1 3.78Å; F366-F395 AromaticContact CD2-CE1 3.91Å; F366-F395 HydrophobicContact CD2-CE1 3.91Å; F366-F395 HydrophobicContact CG-CE1 4.45Å; E369-F395 WeakPolarHBondContact O-CE1 3.4Å; P372-F395 VanDerWaalsContact CD-CD1 3.41Å; P372-F395 HydrophobicContact CG-CD1 3.64Å; P372-F395 HydrophobicContact CG-CE1 3.59Å; P372-F395 HydrophobicContact CG-CE2 4.48Å; P372-F395 HydrophobicContact CG-CG 4.12Å; P372-F395 HydrophobicContact CG-CZ 4.05Å; L377-F395 HydrophobicContact CD1-CD2 4.41Å; I380-F395 HydrophobicContact CD1-CE2 4.42Å; I380-F395 HydrophobicContact CD1-CZ 4Å; I380-F395 HydrophobicContact CG2-CE2 4.09Å; I380-F395 HydrophobicContact CG2-CZ 4.46Å; T391-F395 HydrophobicContact CG2-CD2 4.1Å; T391-F395 HydrophobicContact CG2-CE2 4.08Å; T391-F395 WeakPolarHBondContact O-CD2 3.21Å; T391-F395 PolarHBondContact O-N 3.44Å; Q392-F395 PolarHBondContact O-N 3.21Å; F395-N397 PolarHBondContact O-N 2.94Å; F395-A398 PolarHBondContact O-N 3.34Å; F395-R399 WeakPolarHBondContact O-CG 3.35Å; F395-R399 PolarHBondContact O-N 2.7Å
396	Q	93.7	Very high	89.6	Confident	88 Å²	88	76.3 Å²	76.3	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-58.1	-47.6	172.3	-73	170.1	7	0	0	111.6	Q392 V393 R399 A400	Q392-Q396 VanDerWaalsContact O-CG 3.3Å; Q392-Q396 WeakPolarHBondContact O-CG 3.25Å; Q392-Q396 PolarHBondContact O-N 3.39Å; V393-Q396 PolarHBondContact O-N 3.36Å; Q396-R399 PolarHBondContact O-N 2.94Å; Q396-A400 WeakPolarHBondContact O-CB 3.18Å; Q396-A400 PolarHBondContact O-N 2.96Å
397	N	95.3	Very high	87.6	Confident	80 Å²	80	77.8 Å²	77.8	43%	0.428	37%	0.373	S	S	.	.	H	α-helix	trans	-67.4	-34.2	178.1	-72.8	-36.2	0	0	0	112.6	V393 W394 F395 A400 R401	V393-N397 WeakPolarHBondContact CG1-ND2 3.41Å; V393-N397 VanDerWaalsContact O-CB 3.3Å; V393-N397 WeakPolarHBondContact O-CB 3.39Å; V393-N397 PolarHBondContact O-N 2.76Å; V393-N397 PolarHBondContact O-ND2 3.24Å; W394-N397 CarbonylContact O-C 3.59Å; W394-N397 PolarHBondContact O-N 3.08Å; F395-N397 PolarHBondContact O-N 2.94Å; N397-A400 PolarHBondContact O-N 3.43Å; N397-R401 WeakPolarHBondContact O-CG 3.22Å; N397-R401 PolarHBondContact O-N 3.02Å
398	A	93.8	Very high	85.4	Confident	6 Å²	6	76.6 Å²	76.6	5%	0.05	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-44.5	175.5	0	0	0	0	0	111.3	F366 W394 F395 A400 R401 K402	F366-A398 HydrophobicContact CD2-CB 3.75Å; F366-A398 HydrophobicContact CE1-CB 4.45Å; F366-A398 HydrophobicContact CE2-CB 3.4Å; F366-A398 HydrophobicContact CG-CB 4.42Å; F366-A398 HydrophobicContact CZ-CB 3.79Å; W394-A398 HydrophobicContact CE3-CB 3.98Å; W394-A398 HydrophobicContact CH2-CB 4.04Å; W394-A398 HydrophobicContact CZ3-CB 3.7Å; W394-A398 WeakPolarHBondContact O-CB 3.45Å; W394-A398 PolarHBondContact O-N 3.3Å; F395-A398 PolarHBondContact O-N 3.34Å; A398-A400 PolarHBondContact O-N 3.34Å; A398-R401 PolarHBondContact O-N 3.12Å; A398-K402 WeakPolarHBondContact O-CB 3.45Å; A398-K402 PolarHBondContact O-N 3.09Å
399	R	96	Very high	82.9	Confident	83 Å²	83	75.4 Å²	75.4	31%	0.313	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-40.9	171.5	-68.8	-167.7	-64.6	-94	9.2	112.6	F366 A370 N371 F395 Q396 K402 K403	F366-R399 HydrophobicContact CE2-CG 3.82Å; F366-R399 HydrophobicContact CZ-CG 4.29Å; A370-R399 HydrophobicContact CB-CG 4.47Å; A370-R399 VanDerWaalsContact O-CD 3.31Å; A370-R399 WeakPolarHBondContact O-CD 3.44Å; A370-R399 PolarHBondContact O-NH1 2.85Å; N371-R399 WeakPolarHBondContact OD1-CD 3.45Å; N371-R399 PolarHBondContact OD1-NE 3.42Å; N371-R399 VanDerWaalsContact OD1-NE 3.14Å; N371-R399 PolarHBondContact OD1-NH1 2.95Å; F395-R399 WeakPolarHBondContact O-CG 3.35Å; F395-R399 PolarHBondContact O-N 2.7Å; Q396-R399 PolarHBondContact O-N 2.94Å; R399-K402 PolarHBondContact O-N 3.2Å; R399-K403 PolarHBondContact O-N 2.8Å
400	A	86.2	Confident	80.3	Confident	60 Å²	60	72 Å²	72	50%	0.496	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-41.2	176.6	0	0	0	0	0	112	Q396 N397 A398 K404	Q396-A400 WeakPolarHBondContact O-CB 3.18Å; Q396-A400 PolarHBondContact O-N 2.96Å; N397-A400 PolarHBondContact O-N 3.43Å; A398-A400 PolarHBondContact O-N 3.34Å; A400-K404 WeakPolarHBondContact O-CB 3.38Å; A400-K404 PolarHBondContact O-N 2.95Å; A400-K404 VanDerWaalsContact O-N 3.08Å
401	R	86.7	Confident	77.5	Confident	124 Å²	124	76 Å²	76	47%	0.468	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-48.9	172	-73.4	-175.4	-61	-97.3	4.6	111.8	N397 A398 K403 K404 I405	N397-R401 WeakPolarHBondContact O-CG 3.22Å; N397-R401 PolarHBondContact O-N 3.02Å; A398-R401 PolarHBondContact O-N 3.12Å; R401-K403 PolarHBondContact O-N 3.29Å; R401-K404 WeakPolarHBondContact O-CB 3.33Å; R401-K404 PolarHBondContact O-N 3.07Å; R401-K404 VanDerWaalsContact O-N 3.11Å; R401-I405 WeakPolarHBondContact O-CG1 3.45Å; R401-I405 PolarHBondContact O-N 2.93Å
402	K	87.4	Confident	74.5	Confident	97 Å²	97	79.4 Å²	79.4	42%	0.422	41%	0.408	S	S	.	.	H	α-helix	trans	-56.2	-49.2	178.6	-179.2	163.7	179.5	168.8	0	111.5	F366 A398 R399 K404 I405 E406	F366-K402 HydrophobicContact CE1-CD 4.09Å; F366-K402 HydrophobicContact CZ-CB 4.35Å; F366-K402 HydrophobicContact CZ-CD 4.16Å; A398-K402 WeakPolarHBondContact O-CB 3.45Å; A398-K402 PolarHBondContact O-N 3.09Å; R399-K402 PolarHBondContact O-N 3.2Å; K402-K404 VanDerWaalsContact C-N 3.34Å; K402-K404 PolarHBondContact O-N 3.27Å; K402-I405 PolarHBondContact O-N 3.07Å; K402-I405 VanDerWaalsContact O-N 3.1Å; K402-E406 WeakPolarHBondContact CE-OE1 3.4Å; K402-E406 HydrophobicContact CG-CG 4.39Å; K402-E406 VanDerWaalsContact CG-OE1 3.29Å; K402-E406 WeakPolarHBondContact CG-OE1 3.46Å; K402-E406 WeakPolarHBondContact O-CG 3.49Å; K402-E406 PolarHBondContact O-N 3.06Å
403	K	79.3	Confident	71.3	Confident	54 Å²	54	78.6 Å²	78.6	24%	0.235	42%	0.422	C	S	.	.	H	α-helix	trans	-60.5	-39.5	175.5	-166.6	-177.7	-176.4	-171.4	0	112.8	R399 R401 I405 E406 C407 N515	R399-K403 PolarHBondContact O-N 2.8Å; R401-K403 PolarHBondContact O-N 3.29Å; K403-I405 VanDerWaalsContact C-N 3.28Å; K403-I405 PolarHBondContact O-N 3.06Å; K403-E406 PolarHBondContact O-N 2.87Å; K403-C407 PolarHBondContact O-N 3.31Å; K403-C407 PolarHBondContact O-SG 2.76Å; K403-N515 PolarHBondContact NZ-OD1 3.41Å
404	K	71.5	Confident	68.2	Low	145 Å²	145	85 Å²	85	63%	0.63	45%	0.448	S	S	*	.	H	α-helix	trans	-64.6	-30.9	176.5	-175.2	176.3	178.4	-179.7	0	112.7	A400 R401 K402	A400-K404 WeakPolarHBondContact O-CB 3.38Å; A400-K404 PolarHBondContact O-N 2.95Å; A400-K404 VanDerWaalsContact O-N 3.08Å; R401-K404 WeakPolarHBondContact O-CB 3.33Å; R401-K404 PolarHBondContact O-N 3.07Å; R401-K404 VanDerWaalsContact O-N 3.11Å; K402-K404 VanDerWaalsContact C-N 3.34Å; K402-K404 PolarHBondContact O-N 3.27Å
405	I	73.8	Confident	65.1	Low	121 Å²	121	92.5 Å²	92.5	62%	0.621	48%	0.483	S	S	*	.	H	α-helix	trans	-78.2	-46	175.9	-64.7	162.1	0	0	0	110.3	R401 K402 K403 C407 R408 G409	R401-I405 WeakPolarHBondContact O-CG1 3.45Å; R401-I405 PolarHBondContact O-N 2.93Å; K402-I405 PolarHBondContact O-N 3.07Å; K402-I405 VanDerWaalsContact O-N 3.1Å; K403-I405 VanDerWaalsContact C-N 3.28Å; K403-I405 PolarHBondContact O-N 3.06Å; I405-C407 VanDerWaalsContact C-N 3.27Å; I405-C407 PolarHBondContact O-N 2.83Å; I405-R408 PolarHBondContact O-N 2.8Å; I405-G409 PolarHBondContact O-N 3.32Å
406	E	64.8	Low	61.7	Low	116 Å²	116	99.3 Å²	99.3	54%	0.542	52%	0.52	S	S	.	.	H	α-helix	trans	-57.1	-38.5	177.1	-72.2	166	170.9	0	0	112.1	K402 K403 R408	K402-E406 WeakPolarHBondContact CE-OE1 3.4Å; K402-E406 HydrophobicContact CG-CG 4.39Å; K402-E406 VanDerWaalsContact CG-OE1 3.29Å; K402-E406 WeakPolarHBondContact CG-OE1 3.46Å; K402-E406 WeakPolarHBondContact O-CG 3.49Å; K402-E406 PolarHBondContact O-N 3.06Å; K403-E406 PolarHBondContact O-N 2.87Å; E406-R408 PolarHBondContact O-N 3.25Å
407	C	51.1	Low	58.6	Low	62 Å²	62	103.3 Å²	103.3	42%	0.419	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	0.7	175.5	-59.5	0	0	0	0	114.8	K403 I405	K403-C407 PolarHBondContact O-N 3.31Å; K403-C407 PolarHBondContact O-SG 2.76Å; I405-C407 VanDerWaalsContact C-N 3.27Å; I405-C407 PolarHBondContact O-N 2.83Å
408	R	48	Very low	55.4	Low	102 Å²	102	107.5 Å²	107.5	39%	0.385	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.4	-9	-178.7	-81.8	-178.4	151.3	-138.1	-7.3	114	I405 E406 T410 H537 F539	I405-R408 PolarHBondContact O-N 2.8Å; E406-R408 PolarHBondContact O-N 3.25Å; R408-T410 PolarHBondContact O-N 3.08Å; R408-H537 PolarHBondContact NH2-NE2 3.06Å; R408-F539 HydrophobicContact CB-CE1 4.1Å; R408-F539 HydrophobicContact CB-CZ 3.89Å; R408-F539 VanDerWaalsContact CD-CZ 3.41Å; R408-F539 HydrophobicContact CG-CE1 4.4Å; R408-F539 HydrophobicContact CG-CZ 3.76Å
409	G	42.1	Very low	52.2	Low	45 Å²	45	112 Å²	112	46%	0.464	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	8.2	-168.1	0	0	0	0	0	117.8	I405	I405-G409 PolarHBondContact O-N 3.32Å
410	T	39.4	Very low	48.9	Very low	123 Å²	123	115.3 Å²	115.3	76%	0.755	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	6.1	-165.2	46.4	0	0	0	0	116.4	R408	R408-T410 PolarHBondContact O-N 3.08Å
411	V	37.7	Very low	46.4	Very low	122 Å²	122	119.8 Å²	119.8	74%	0.739	62%	0.623	S	S	*	*			trans	-134.3	64.5	-172.6	-163.6	0	0	0	0	112.9
412	E	31.9	Very low	43.7	Very low	73 Å²	73	118.3 Å²	118.3	34%	0.341	63%	0.632	S	S	.	*			trans	-138.1	103.2	169.6	-74.3	-172.7	-169.5	0	0	111.5	M541 N542	E412-M541 HydrophobicContact CG-CE 4.42Å; E412-M541 WeakPolarHBondContact OE1-CB 3.28Å; E412-M541 WeakPolarHBondContact OE1-CG 3.45Å; E412-N542 PolarHBondContact OE2-ND2 3.28Å
413	G	29.5	Very low	41	Very low	68 Å²	68	118.4 Å²	118.4	70%	0.701	64%	0.637	S	S	*	*	S	Bend	trans	179.5	6.4	-177.9	0	0	0	0	0	117.5
414	Q	29.8	Very low	38.7	Very low	192 Å²	192	121 Å²	121	90%	0.897	66%	0.657	S	S	*	*			trans	-168.9	114.3	171	-107.4	143.3	86.6	0	0	107.8
415	H	30.7	Very low	36.7	Very low	178 Å²	178	119.6 Å²	119.6	82%	0.824	66%	0.664	S	S	*	*			trans	-151.8	97.8	172.9	-157.8	-81.8	0	0	0	111.2
416	D	26.7	Very low	34.6	Very low	147 Å²	147	119.2 Å²	119.2	79%	0.786	67%	0.671	S	S	*	*			trans	-147.5	127.6	161.5	-121.1	-33.5	0	0	0	107.6
417	Q	28.6	Very low	33	Very low	172 Å²	172	119.4 Å²	119.4	80%	0.804	68%	0.675	S	S	*	*	S	Bend	trans	58	91.1	174	-54.9	171.6	49.9	0	0	117.8
418	I	28.5	Very low	32.1	Very low	167 Å²	167	120.6 Å²	120.6	86%	0.856	68%	0.684	S	S	*	*			trans	-163.4	150.8	133.8	-102.2	151.8	0	0	0	109.8
419	S	26.6	Very low	31.3	Very low	100 Å²	100	123.5 Å²	123.5	70%	0.699	71%	0.707	S	S	*	*			trans	-77.7	148.1	-163.7	-174.2	0	0	0	0	115.7
420	F	27.7	Very low	30.8	Very low	154 Å²	154	126.9 Å²	126.9	68%	0.675	72%	0.723	S	S	*	*	S	Bend	trans	-43	132.8	157.8	-62.6	-96.7	0	0	0	112
421	N	32.5	Very low	30.3	Very low	153 Å²	153	129.9 Å²	129.9	82%	0.818	73%	0.731	S	S	*	*			trans	162.8	-9.8	157.8	-92.1	-33.4	0	0	0	113.3
422	S	31.1	Very low	29.7	Very low	94 Å²	94	127.7 Å²	127.7	66%	0.657	73%	0.734	S	S	*	*	S	Bend	trans	-94	1.8	-167.1	-147.2	0	0	0	0	116.1
423	L	29.3	Very low	29.7	Very low	99 Å²	99	131.2 Å²	131.2	52%	0.518	75%	0.753	S	S	.	*			trans	-101.6	-13.2	-163.3	-73.2	160.1	0	0	0	115.4	C425	L423-C425 VanDerWaalsContact C-N 3.33Å; L423-C425 PolarHBondContact O-N 3.29Å
424	T	31.5	Very low	29.7	Very low	108 Å²	108	135.5 Å²	135.5	66%	0.663	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-78.2	-8.4	-166.8	-29.4	0	0	0	0	115.2
425	C	28.7	Very low	29.8	Very low	115 Å²	115	132.9 Å²	132.9	78%	0.777	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-81.6	-15.7	-169.6	-159.4	0	0	0	0	114.6	L423	L423-C425 VanDerWaalsContact C-N 3.33Å; L423-C425 PolarHBondContact O-N 3.29Å
426	C	31.4	Very low	29.8	Very low	113 Å²	113	132.4 Å²	132.4	76%	0.764	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-110.4	13.1	-166.8	-58.7	0	0	0	0	114.8
427	L	31.4	Very low	30	Very low	121 Å²	121	135.3 Å²	135.3	63%	0.634	74%	0.74	S	S	*	*	S	Bend	trans	-117.6	-4.3	-171.1	-73.4	167.2	0	0	0	115
428	S	32	Very low	30	Very low	87 Å²	87	132.5 Å²	132.5	61%	0.608	73%	0.73	S	S	*	*	S	Bend	trans	-82.3	-37.1	-170.7	-48.1	0	0	0	0	114.7	S430	S428-S430 VanDerWaalsContact C-N 3.26Å; S428-S430 PolarHBondContact O-N 2.75Å
429	D	30.5	Very low	30	Very low	163 Å²	163	128.2 Å²	128.2	87%	0.872	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	48.2	-165	-65.9	-13.9	0	0	0	113.8
430	S	31	Very low	30.4	Very low	115 Å²	115	129 Å²	129	80%	0.804	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.1	10.9	179.4	-74.8	0	0	0	0	116.2	S428	S428-S430 VanDerWaalsContact C-N 3.26Å; S428-S430 PolarHBondContact O-N 2.75Å
431	M	29.5	Very low	30.6	Very low	187 Å²	187	130.3 Å²	130.3	92%	0.921	73%	0.726	S	S	*	*			trans	-138.5	118.6	168.3	-73	-176.6	60.4	0	0	110.8
432	G	25.3	Very low	30.6	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	72%	0.723	S	S	*	*			trans	-145.9	118.1	173.6	0	0	0	0	0	111.1
433	I	31.8	Very low	30.6	Very low	146 Å²	146	133 Å²	133	75%	0.749	73%	0.728	S	S	*	*			trans	-150.4	115	175.8	-70.9	-171.4	0	0	0	107.1
434	E	28.8	Very low	30.4	Very low	159 Å²	159	136 Å²	136	74%	0.743	74%	0.743	S	S	*	*			trans	46.2	144.7	135.3	-63.6	153.9	-173	0	0	120.1
435	E	31.6	Very low	30.3	Very low	137 Å²	137	136.9 Å²	136.9	64%	0.64	75%	0.75	S	S	*	*			cis	-172.8	160.5	13.3	-126.6	170.8	-176.7	0	0	114
436	F	31.7	Very low	30.3	Very low	167 Å²	167	135.4 Å²	135.4	73%	0.732	74%	0.741	S	S	*	*			trans	61.8	156.5	157.7	-64.4	-54.3	0	0	0	120.5
437	Y	31	Very low	30.1	Very low	208 Å²	208	138.7 Å²	138.7	82%	0.816	75%	0.748	S	S	*	*			cis	-163.1	173.1	10	-152.7	-113.2	0	0	0	109.4
438	D	28.9	Very low	30	Very low	114 Å²	114	139.1 Å²	139.1	61%	0.61	75%	0.75	S	S	*	*				-157.3	162.1	-57.2	-178.4	42.3	0	0	0	111.7
439	S	28.8	Very low	29.9	Very low	77 Å²	77	142 Å²	142	54%	0.538	76%	0.759	S	S	.	*			trans	52.9	117.3	154.9	-77.9	0	0	0	0	125.3
440	S	33.6	Very low	29.8	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	76%	0.76	S	S	*	*				-167.9	116.4	107.5	16.9	0	0	0	0	109.6
441	K	31.8	Very low	29.8	Very low	182 Å²	182	141.2 Å²	141.2	79%	0.791	76%	0.762	S	S	*	*				61.2	126.4	79.9	-71.5	-173.5	179.5	178.1	0	112.4
442	E	32.7	Very low	29.7	Very low	163 Å²	163	142.2 Å²	142.2	76%	0.762	76%	0.764	S	S	*	*			cis	-149	153.8	31.4	-76.6	-163.3	170.4	0	0	117.6
443	N	31.2	Very low	29.8	Very low	141 Å²	141	142 Å²	142	75%	0.754	76%	0.761	S	S	*	*			trans	64.2	135.5	139.3	-65.4	-37.4	0	0	0	124.2
444	I	25.8	Very low	29.8	Very low	162 Å²	162	143.1 Å²	143.1	83%	0.831	77%	0.768	S	S	*	*			trans	-132.5	142.6	-177.9	-70.7	159.9	0	0	0	106.1
445	P	30.1	Very low	29.6	Very low	127 Å²	127	142.8 Å²	142.8	83%	0.825	77%	0.771	S	S	*	*				-148.9	158	108	35.3	-16.2	0	0	0	117.4
446	S	26.9	Very low	29.6	Very low	84 Å²	84	142.2 Å²	142.2	59%	0.587	78%	0.782	S	S	*	*			trans	-78.3	157.6	176.5	-176.9	0	0	0	0	113.6
447	M	29	Very low	29.4	Very low	182 Å²	182	139.4 Å²	139.4	90%	0.897	78%	0.779	S	S	*	*			trans	-134.4	135.5	153.8	-91.8	-69.6	108.1	0	0	110.3
448	N	28.2	Very low	29.6	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	78%	0.781	S	S	*	*			trans	-94.3	142.9	175.1	-54.6	-42	0	0	0	109.8
449	N	30	Very low	29.7	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	79%	0.789	S	S	*	*				171.5	142.7	116.4	-91.6	-22.8	0	0	0	115.1
450	M	28.2	Very low	30.1	Very low	180 Å²	180	142.5 Å²	142.5	89%	0.887	80%	0.803	S	S	*	*			trans	32	118.1	132	-49.9	-71.2	-90.9	0	0	119.1
451	G	30.4	Very low	29.9	Very low	82 Å²	82	141.2 Å²	141.2	85%	0.845	81%	0.808	S	S	*	*			trans	-172.6	108.7	164.2	0	0	0	0	0	112
452	E	27.6	Very low	30	Very low	207 Å²	207	137.5 Å²	137.5	97%	0.967	80%	0.795	S	S	*	*			trans	-81.9	155.9	175	-56.3	175.9	123	0	0	111.1
453	G	28.6	Very low	30	Very low	71 Å²	71	133.9 Å²	133.9	73%	0.732	78%	0.78	S	S	*	*			trans	165	92.1	168.4	0	0	0	0	0	118.7
454	L	31.1	Very low	30.2	Very low	170 Å²	170	131.3 Å²	131.3	89%	0.89	77%	0.774	S	S	*	*			trans	59.7	115.9	140.4	-64.4	166.5	0	0	0	121.9
455	L	25	Very low	30.7	Very low	153 Å²	153	129.2 Å²	129.2	80%	0.801	76%	0.764	S	S	*	*			trans	-13.2	141	153.9	-72.3	60.7	0	0	0	119.1
456	S	30.8	Very low	31.2	Very low	124 Å²	124	127.9 Å²	127.9	87%	0.867	75%	0.747	S	S	*	*				-133.7	144.2	124.6	62.8	0	0	0	0	110.2
457	T	28.1	Very low	31.8	Very low	109 Å²	109	127.8 Å²	127.8	67%	0.669	74%	0.739	S	S	*	*			trans	-95.4	155.9	-176.5	45.9	0	0	0	0	112
458	N	34.9	Very low	32.1	Very low	160 Å²	160	123.8 Å²	123.8	86%	0.856	72%	0.715	S	S	*	*			trans	-144.9	149.6	154.5	-91.8	-27.5	0	0	0	108.3
459	D	31.2	Very low	32.4	Very low	146 Å²	146	124.1 Å²	124.1	78%	0.781	71%	0.712	S	S	*	*	S	Bend	trans	-84.9	120.1	-154.4	-57.2	-77.8	0	0	0	115.3
460	N	36.9	Very low	32.6	Very low	158 Å²	158	125.3 Å²	125.3	85%	0.845	71%	0.705	S	S	*	*			trans	-177.2	92.7	142.9	-96.9	-49.7	0	0	0	108.2	M462	N460-M462 PolarHBondContact O-N 2.94Å
461	G	30	Very low	33	Very low	87 Å²	87	123 Å²	123	90%	0.897	69%	0.693	S	S	*	*			trans	-74.4	73.2	-166.4	0	0	0	0	0	115.5
462	M	32.5	Very low	33.3	Very low	104 Å²	104	125.9 Å²	125.9	51%	0.512	68%	0.679	S	S	.	*			trans	-127.1	139.6	170.2	-66	-152.7	154.5	0	0	112.6	N460 R470	N460-M462 PolarHBondContact O-N 2.94Å; M462-R470 PolarHBondContact SD-NH1 3.29Å; M462-R470 VanDerWaalsContact SD-NH1 3.43Å
463	N	33.8	Very low	33.5	Very low	87 Å²	87	121.2 Å²	121.2	47%	0.465	66%	0.661	S	S	.	*			trans	-70.5	147.2	178.8	-178	-44.2	0	0	0	110.1	N465 Q466 I467	N463-N465 PolarHBondContact O-N 3.42Å; N463-N465 PolarHBondContact OD1-N 3.32Å; N463-Q466 HydrophobicContact CB-CG 4.24Å; N463-Q466 WeakPolarHBondContact O-CB 3.37Å; N463-Q466 PolarHBondContact O-N 3.23Å; N463-I467 PolarHBondContact O-N 3.35Å
464	S	35.7	Very low	33.5	Very low	88 Å²	88	121.8 Å²	121.8	62%	0.615	65%	0.652	S	S	*	*	H	α-helix	trans	-51.8	-29.4	175.5	47.7	0	0	0	0	114
465	N	36.1	Very low	33.6	Very low	118 Å²	118	120.5 Å²	120.5	63%	0.631	64%	0.64	S	S	*	*	H	α-helix	trans	-73.9	-28.4	176.3	-63.7	-1.5	0	0	0	112.9	N463	N463-N465 PolarHBondContact O-N 3.42Å; N463-N465 PolarHBondContact OD1-N 3.32Å
466	Q	39.9	Very low	33.9	Very low	98 Å²	98	117 Å²	117	46%	0.458	63%	0.628	S	S	.	*	H	α-helix	trans	-81.5	-30.4	-178.4	-68.5	170.4	-33.8	0	0	112.5	N463 Y468 R470	N463-Q466 HydrophobicContact CB-CG 4.24Å; N463-Q466 WeakPolarHBondContact O-CB 3.37Å; N463-Q466 PolarHBondContact O-N 3.23Å; Q466-Y468 VanDerWaalsContact C-N 3.27Å; Q466-Y468 PolarHBondContact O-N 3.14Å; Q466-R470 PolarHBondContact O-N 3.48Å
467	I	39.6	Very low	33.8	Very low	83 Å²	83	117 Å²	117	43%	0.426	62%	0.618	S	S	.	*	H	α-helix	trans	-59.8	-43.9	171.6	-60.4	173.4	0	0	0	109.4	N463 E469 R470 E471	N463-I467 PolarHBondContact O-N 3.35Å; I467-E469 PolarHBondContact O-N 2.87Å; I467-R470 PolarHBondContact O-N 3.44Å; I467-E471 HydrophobicContact CG2-CG 4.34Å; I467-E471 PolarHBondContact O-N 3.12Å
468	Y	35.2	Very low	33.8	Very low	97 Å²	97	116.6 Å²	116.6	38%	0.38	62%	0.619	S	S	.	*	H	α-helix	trans	-64	-35.5	-176.2	-156.9	-84.5	0	0	0	113.6	I106 Q466 Y472	I106-Y468 HydrophobicContact CG2-CE2 4.08Å; I106-Y468 WeakPolarHBondContact CG2-OH 3.29Å; Q466-Y468 VanDerWaalsContact C-N 3.27Å; Q466-Y468 PolarHBondContact O-N 3.14Å; Y468-Y472 HydrophobicContact CE1-CD2 4.22Å; Y468-Y472 HydrophobicContact CE1-CE2 4.41Å; Y468-Y472 PolarHBondContact O-N 2.85Å
469	E	35.4	Very low	33.4	Very low	137 Å²	137	118.2 Å²	118.2	64%	0.64	62%	0.619	S	S	*	*	H	α-helix	trans	-73.5	-36.7	174.4	-66.7	-172.2	148.9	0	0	112.2	I467 Y472 N473	I467-E469 PolarHBondContact O-N 2.87Å; E469-Y472 PolarHBondContact O-N 2.93Å; E469-N473 PolarHBondContact O-N 3.01Å; E469-N473 VanDerWaalsContact O-N 3.09Å
470	R	32.8	Very low	33.3	Very low	172 Å²	172	118 Å²	118	65%	0.649	62%	0.617	S	S	*	*	H	α-helix	trans	-72.8	-38	-177.1	-137.7	171.4	-167.7	165.3	2.2	112.7	M462 Q466 I467 Y472 C474	M462-R470 PolarHBondContact SD-NH1 3.29Å; M462-R470 VanDerWaalsContact SD-NH1 3.43Å; Q466-R470 PolarHBondContact O-N 3.48Å; I467-R470 PolarHBondContact O-N 3.44Å; R470-Y472 VanDerWaalsContact C-N 3.3Å; R470-C474 PolarHBondContact O-N 3.37Å
471	E	37.3	Very low	32.9	Very low	132 Å²	132	119.5 Å²	119.5	62%	0.617	62%	0.619	S	S	*	*	H	α-helix	trans	-70	-25.3	173.1	-69.7	-174.4	165.5	0	0	113	I467	I467-E471 HydrophobicContact CG2-CG 4.34Å; I467-E471 PolarHBondContact O-N 3.12Å
472	Y	35.9	Very low	32.8	Very low	142 Å²	142	123.5 Å²	123.5	56%	0.557	62%	0.619	S	S	*	*	H	α-helix	trans	-76.6	-44.3	175.8	-126.7	-83.5	0	0	0	112.2	Y468 E469 R470 C474 K475	Y468-Y472 HydrophobicContact CE1-CD2 4.22Å; Y468-Y472 HydrophobicContact CE1-CE2 4.41Å; Y468-Y472 PolarHBondContact O-N 2.85Å; E469-Y472 PolarHBondContact O-N 2.93Å; R470-Y472 VanDerWaalsContact C-N 3.3Å; Y472-C474 VanDerWaalsContact C-N 3.28Å; Y472-C474 PolarHBondContact O-N 3.07Å; Y472-K475 PolarHBondContact O-N 3.2Å; Y472-K475 VanDerWaalsContact O-N 3.17Å
473	N	32.4	Very low	32.5	Very low	110 Å²	110	126 Å²	126	59%	0.588	64%	0.635	S	S	*	*	H	α-helix	trans	-70.5	-23.1	179.1	-67.4	-7.3	0	0	0	112.7	E469 K475 S476	E469-N473 PolarHBondContact O-N 3.01Å; E469-N473 VanDerWaalsContact O-N 3.09Å; N473-K475 PolarHBondContact O-N 2.87Å; N473-S476 PolarHBondContact O-OG 2.99Å
474	C	28.4	Very low	32.2	Very low	82 Å²	82	130.7 Å²	130.7	55%	0.554	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-10	172.8	-159	0	0	0	0	113.4	R470 Y472 C478	R470-C474 PolarHBondContact O-N 3.37Å; Y472-C474 VanDerWaalsContact C-N 3.28Å; Y472-C474 PolarHBondContact O-N 3.07Å; C474-C478 PolarHBondContact O-SG 3.19Å; C474-C478 VanDerWaalsContact O-SG 3.39Å
475	K	34.1	Very low	31.9	Very low	144 Å²	144	133.2 Å²	133.2	63%	0.626	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-4.5	-178.9	-73.9	-179.6	178.8	171	0	115.1	Y472 N473	Y472-K475 PolarHBondContact O-N 3.2Å; Y472-K475 VanDerWaalsContact O-N 3.17Å; N473-K475 PolarHBondContact O-N 2.87Å
476	S	30.7	Very low	31.4	Very low	80 Å²	80	133.9 Å²	133.9	56%	0.559	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-28.1	166.4	47.5	0	0	0	0	112.4	N473	N473-S476 PolarHBondContact O-OG 2.99Å
477	D	29.4	Very low	30.7	Very low	122 Å²	122	136.8 Å²	136.8	65%	0.652	69%	0.692	S	S	*	*	S	Bend	trans	-100.7	-16.5	-162	-58.6	-1.7	0	0	0	113.1	F479	D477-F479 VanDerWaalsContact C-N 3.26Å; D477-F479 PolarHBondContact O-N 2.72Å
478	C	27.1	Very low	30.2	Very low	102 Å²	102	139.9 Å²	139.9	69%	0.689	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	17.7	-179.6	-65.7	0	0	0	0	115.4	C474	C474-C478 PolarHBondContact O-SG 3.19Å; C474-C478 VanDerWaalsContact O-SG 3.39Å
479	F	27.9	Very low	30.2	Very low	194 Å²	194	142.7 Å²	142.7	85%	0.851	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	3.5	-178.4	-145.6	-96.6	0	0	0	114.3	D477	D477-F479 VanDerWaalsContact C-N 3.26Å; D477-F479 PolarHBondContact O-N 2.72Å
480	N	27.5	Very low	29.9	Very low	140 Å²	140	145.1 Å²	145.1	75%	0.749	74%	0.739	S	S	*	*	S	Bend	trans	-113.1	-6.9	-167.4	-73.6	-34.5	0	0	0	116.7
481	E	28.7	Very low	29.7	Very low	191 Å²	191	144.1 Å²	144.1	89%	0.893	75%	0.747	S	S	*	*	S	Bend	trans	-108.8	30.6	-168.6	-66.6	-154.8	132.3	0	0	116.4
482	L	28.9	Very low	29.3	Very low	170 Å²	170	145.3 Å²	145.3	89%	0.89	75%	0.754	S	S	*	*			trans	-119.8	9.2	179.6	-98.4	164.2	0	0	0	116.3
483	N	25.7	Very low	28.7	Very low	158 Å²	158	143.6 Å²	143.6	85%	0.845	76%	0.764	S	S	*	*	S	Bend	trans	-105.6	58.6	176.8	-78.3	-36.6	0	0	0	112.6
484	H	27.9	Very low	28.6	Very low	184 Å²	184	144.1 Å²	144.1	85%	0.852	78%	0.776	S	S	*	*			trans	-149.8	16.9	179.3	-126.9	-67.7	0	0	0	119.6
485	V	28.6	Very low	28.5	Very low	142 Å²	142	149 Å²	149	86%	0.861	79%	0.79	S	S	*	*	S	Bend	trans	-135.2	49.6	178.4	-157.3	0	0	0	0	114.2
486	T	25.9	Very low	28.2	Very low	131 Å²	131	147.4 Å²	147.4	80%	0.804	80%	0.797	S	S	*	*			trans	-146.7	77.9	166	55.5	0	0	0	0	112.7
487	N	25.8	Very low	28	Very low	159 Å²	159	151 Å²	151	85%	0.85	81%	0.811	S	S	*	*			trans	-168.9	133.5	155.1	-97.1	-39.3	0	0	0	109.9
488	N	29.5	Very low	28.1	Very low	148 Å²	148	153.5 Å²	153.5	79%	0.791	82%	0.822	S	S	*	*			trans	93.4	110.9	-165.9	-57.5	-7.6	0	0	0	111.6
489	D	33.7	Very low	28	Very low	156 Å²	156	151.6 Å²	151.6	83%	0.834	82%	0.819	S	S	*	*			cis	-148.9	160.3	28.1	-85.9	-46	0	0	0	114
490	K	29.3	Very low	27.9	Very low	188 Å²	188	152.1 Å²	152.1	82%	0.817	82%	0.821	S	S	*	*			trans	-99.7	129	166.1	-58.6	169.7	-175.9	171.7	0	108.1
491	N	28.5	Very low	27.9	Very low	151 Å²	151	152.5 Å²	152.5	81%	0.807	82%	0.824	S	S	*	*			trans	173.2	161	135.7	-91.8	-32	0	0	0	114.2
492	M	28.7	Very low	27.8	Very low	157 Å²	157	153.7 Å²	153.7	77%	0.773	83%	0.826	S	S	*	*			trans	63.9	90.2	165.4	-62.3	-56.8	93.7	0	0	119.2
493	S	25	Very low	27.6	Very low	107 Å²	107	150.8 Å²	150.8	75%	0.748	82%	0.82	S	S	*	*			trans	-34.7	141.4	144.2	50.9	0	0	0	0	117.2
494	S	30.3	Very low	27.6	Very low	121 Å²	121	150.6 Å²	150.6	85%	0.846	81%	0.814	S	S	*	*				-163.8	173.7	108.7	62	0	0	0	0	111.6
495	E	25	Very low	27.4	Very low	183 Å²	183	151 Å²	151	86%	0.855	81%	0.814	S	S	*	*			trans	-84.8	139.7	-159.3	-58.7	150.9	119.9	0	0	114.7
496	S	27.9	Very low	27.2	Very low	111 Å²	111	151.5 Å²	151.5	78%	0.776	81%	0.806	S	S	*	*				179.5	126.2	122.8	38	0	0	0	0	114.7	I498	S496-I498 PolarHBondContact O-N 2.91Å
497	N	26.1	Very low	27.1	Very low	157 Å²	157	153.3 Å²	153.3	84%	0.84	80%	0.803	S	S	*	*			trans	25.4	79.3	145.7	-59.1	-20.7	0	0	0	120.5
498	I	31.5	Very low	27.1	Very low	173 Å²	173	155.8 Å²	155.8	89%	0.887	80%	0.801	S	S	*	*			trans	-143.3	119.1	131.3	-84.8	116.7	0	0	0	107.5	S496	S496-I498 PolarHBondContact O-N 2.91Å
499	G	24.9	Very low	26.8	Very low	62 Å²	62	153.5 Å²	153.5	64%	0.639	80%	0.796	S	S	*	*			trans	-111.8	141.3	178.5	0	0	0	0	0	112.2
500	K	27.3	Very low	26.4	Very low	205 Å²	205	152.2 Å²	152.2	89%	0.891	79%	0.789	S	S	*	*			trans	60.9	91.5	162.8	-51.4	174.6	-175.5	178.2	0	116.1
501	N	27.4	Very low	26.3	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	78%	0.777	S	S	*	*			trans	-154.8	68.8	160.1	-100.7	-34.8	0	0	0	112
502	F	25.7	Very low	26.2	Very low	216 Å²	216	146.4 Å²	146.4	95%	0.947	78%	0.776	S	S	*	*			trans	-144.8	54.6	176.3	-87.7	-72.7	0	0	0	111.5
503	S	24.5	Very low	26	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	77%	0.769	S	S	*	*			trans	-161.6	71.3	-177.7	58.4	0	0	0	0	114
504	H	25.6	Very low	26	Very low	155 Å²	155	145.7 Å²	145.7	72%	0.718	76%	0.759	S	S	*	*			trans	-151.1	53	169.8	-141.9	73.5	0	0	0	116.3	H506	H504-H506 AromaticContact CE1-CD2 3.44Å; H504-H506 PolarHBondContact CE1-CD2 2.98Å; H504-H506 VanDerWaalsContact CE1-CD2 3.44Å; H504-H506 AromaticContact ND1-CD2 3.95Å; H504-H506 AromaticContact NE2-CD2 3.72Å; H504-H506 PolarHBondContact O-N 3.1Å
505	F	23.9	Very low	25.8	Very low	193 Å²	193	145.7 Å²	145.7	85%	0.846	75%	0.75	S	S	*	*			trans	-87.6	81	162.2	-83.7	-81.8	0	0	0	110.4	F507	F505-F507 HydrophobicContact CD1-CE2 4.12Å; F505-F507 PolarHBondContact O-N 3.28Å
506	H	25.3	Very low	25.8	Very low	151 Å²	151	140.9 Å²	140.9	70%	0.699	73%	0.73	S	S	*	*			trans	-90.9	86.5	174.8	-106	-81.1	0	0	0	111.9	H504 R508	H504-H506 AromaticContact CE1-CD2 3.44Å; H504-H506 PolarHBondContact CE1-CD2 2.98Å; H504-H506 VanDerWaalsContact CE1-CD2 3.44Å; H504-H506 AromaticContact ND1-CD2 3.95Å; H504-H506 AromaticContact NE2-CD2 3.72Å; H504-H506 PolarHBondContact O-N 3.1Å; H506-R508 PolarHBondContact O-N 2.85Å
507	F	23.4	Very low	25.9	Very low	170 Å²	170	143.2 Å²	143.2	75%	0.746	73%	0.734	S	S	*	*			trans	-69.9	121.5	162.4	-76.1	-91.7	0	0	0	109.1	F505 S509	F505-F507 HydrophobicContact CD1-CE2 4.12Å; F505-F507 PolarHBondContact O-N 3.28Å; F507-S509 PolarHBondContact O-N 3.06Å
508	R	25.1	Very low	26	Very low	211 Å²	211	140.9 Å²	140.9	80%	0.796	73%	0.73	S	S	*	*			trans	-79.3	112.2	176.6	-84.1	-170.3	172.3	-163	-2.6	111.1	H506	H506-R508 PolarHBondContact O-N 2.85Å
509	S	24.1	Very low	25.6	Very low	99 Å²	99	141.1 Å²	141.1	69%	0.692	73%	0.732	S	S	*	*			trans	-84.4	133.9	151.8	-59.1	0	0	0	0	109	F507	F507-S509 PolarHBondContact O-N 3.06Å
510	D	24.8	Very low	25.7	Very low	129 Å²	129	144.9 Å²	144.9	69%	0.69	74%	0.743	S	S	*	*			trans	-178.6	144.3	148.3	-96.6	-28.4	0	0	0	110.9	Q649	D510-Q649 VanDerWaalsContact C-NE2 3.3Å; D510-Q649 PolarHBondContact O-NE2 3.23Å; D510-Q649 PolarHBondContact O-OE1 2.87Å
511	P	26.6	Very low	25.6	Very low	87 Å²	87	140.7 Å²	140.7	57%	0.565	74%	0.739	S	S	*	*			trans	-91.9	152.5	-172.8	36	-35.7	0	0	0	114.4	Q649	P511-Q649 HydrophobicContact CB-CG 4.06Å
512	V	26.7	Very low	25.5	Very low	130 Å²	130	141.8 Å²	141.8	79%	0.788	75%	0.745	S	S	*	*			trans	-126.8	126.1	175.9	-179.6	0	0	0	0	111.6
513	F	23.8	Very low	25.5	Very low	141 Å²	141	134.8 Å²	134.8	62%	0.618	73%	0.734	S	S	*	*			trans	-88.2	141.1	174.7	-67.1	-97.8	0	0	0	112.3
514	I	25.7	Very low	25.8	Very low	108 Å²	108	137.4 Å²	137.4	55%	0.554	74%	0.74	S	S	*	*			trans	-119.7	142.3	165.7	-62.8	179.9	0	0	0	109	V655	I514-V655 HydrophobicContact CG2-CG2 4.21Å
515	N	26.9	Very low	25.8	Very low	121 Å²	121	138.5 Å²	138.5	65%	0.647	75%	0.745	S	S	*	*			trans	-95.3	147	172.7	-92.9	6	0	0	0	110.5	K403	K403-N515 PolarHBondContact NZ-OD1 3.41Å
516	D	25.2	Very low	26	Very low	83 Å²	83	133.3 Å²	133.3	44%	0.444	73%	0.731	S	S	.	*			trans	-71.7	128.4	168.1	-56.5	-85.1	0	0	0	111.7
517	N	29.3	Very low	26.2	Very low	159 Å²	159	132.2 Å²	132.2	85%	0.85	73%	0.73	S	S	*	*			trans	173.9	120.4	139.9	-94	-33	0	0	0	111.6
518	S	27.4	Very low	26.3	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	73%	0.732	S	S	*	*			trans	154.6	119	140.6	-72.5	0	0	0	0	110.9
519	L	23.2	Very low	26.6	Very low	177 Å²	177	128.1 Å²	128.1	93%	0.927	72%	0.723	S	S	*	*			trans	-93.7	122.8	162	-65.5	91.9	0	0	0	108.8
520	T	27.2	Very low	26.8	Very low	141 Å²	141	130.8 Å²	130.8	87%	0.865	73%	0.73	S	S	*	*			trans	-152.8	158.2	161.3	34.3	0	0	0	0	110.3
521	S	26.3	Very low	26.9	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	73%	0.733	S	S	*	*			trans	-106	159.2	-179.3	50.9	0	0	0	0	112.5
522	N	24.1	Very low	26.9	Very low	172 Å²	172	132.3 Å²	132.3	92%	0.92	74%	0.741	S	S	*	*			trans	-54.8	140.9	-172.6	-60.6	-24.2	0	0	0	115.2
523	G	26.8	Very low	26.9	Very low	70 Å²	70	132.8 Å²	132.8	72%	0.722	74%	0.74	S	S	*	*			trans	-164.7	121.9	165.4	0	0	0	0	0	112.5
524	N	29.2	Very low	27	Very low	162 Å²	162	131.3 Å²	131.3	87%	0.866	74%	0.742	S	S	*	*			trans	-29.3	152.2	166	-53.9	-2.8	0	0	0	116.2
525	E	26.6	Very low	27	Very low	179 Å²	179	133 Å²	133	84%	0.836	75%	0.751	S	S	*	*			cis	-163.3	-146.8	-13.3	-151.4	-163.6	-179.1	0	0	109.5
526	P	28.9	Very low	26.9	Very low	84 Å²	84	133.9 Å²	133.9	55%	0.545	75%	0.751	S	S	.	*				-131.9	166.7	-126.7	45.5	-27.7	0	0	0	121.2
527	N	27.9	Very low	27	Very low	127 Å²	127	133.4 Å²	133.4	68%	0.679	75%	0.746	S	S	*	*			trans	66.4	162.2	147.3	-65.3	-15.5	0	0	0	119.8
528	Y	26.1	Very low	27	Very low	203 Å²	203	130.3 Å²	130.3	80%	0.796	73%	0.73	S	S	*	*			cis	-150.3	-163.9	12.1	-124.4	-30.1	0	0	0	112.7
529	P	31	Very low	27	Very low	93 Å²	93	129.6 Å²	129.6	60%	0.604	71%	0.713	S	S	*	*			trans	-135.1	179.8	-133.6	48.1	-30.9	0	0	0	122.1
530	N	28	Very low	27.3	Very low	155 Å²	155	128 Å²	128	83%	0.829	70%	0.704	S	S	*	*			trans	81	124.8	144.3	-78.1	-3.5	0	0	0	124.9
531	S	27.2	Very low	27.3	Very low	108 Å²	108	125.7 Å²	125.7	76%	0.755	68%	0.684	S	S	*	*				-175.2	126.5	114	52.2	0	0	0	0	117.4
532	N	27.4	Very low	27.5	Very low	139 Å²	139	123.9 Å²	123.9	74%	0.743	67%	0.665	S	S	*	*			trans	60.5	122.1	139	-58.3	-2.4	0	0	0	126.1
533	N	26.6	Very low	27.6	Very low	141 Å²	141	125.2 Å²	125.2	75%	0.754	66%	0.658	S	S	*	*			trans	72.8	146.5	132.4	-59.8	-0.2	0	0	0	121.2
534	T	25.9	Very low	27.6	Very low	109 Å²	109	127.4 Å²	127.4	67%	0.669	65%	0.652	S	S	*	*			cis	-168.4	147.9	-8.5	20.9	0	0	0	0	111.4
535	I	25.5	Very low	27.5	Very low	143 Å²	143	128.3 Å²	128.3	73%	0.733	65%	0.649	S	S	*	*			trans	73.2	149.4	151.8	-76.2	166.5	0	0	0	116.8
536	E	26.2	Very low	27.6	Very low	141 Å²	141	125.2 Å²	125.2	66%	0.659	65%	0.647	S	S	*	*			cis	-141.5	-146.4	5.2	-154.2	45.3	-75.6	0	0	114
537	H	27.3	Very low	27.5	Very low	73 Å²	73	128.5 Å²	128.5	34%	0.338	66%	0.66	S	S	.	*			trans	-135.5	-160.2	-176.1	-141.8	-141.5	0	0	0	111.9	R408	R408-H537 PolarHBondContact NH2-NE2 3.06Å
538	D	27.6	Very low	27.7	Very low	94 Å²	94	127.1 Å²	127.1	50%	0.503	66%	0.658	S	S	.	*			cis	-149.4	-116.8	15.7	-148.7	-63.7	0	0	0	115.9
539	F	28.5	Very low	27.7	Very low	93 Å²	93	124.9 Å²	124.9	41%	0.408	66%	0.66	S	S	.	*			trans	-149.4	169.2	-167.2	-86	-97.2	0	0	0	115.3	R408	R408-F539 HydrophobicContact CB-CE1 4.1Å; R408-F539 HydrophobicContact CB-CZ 3.89Å; R408-F539 VanDerWaalsContact CD-CZ 3.41Å; R408-F539 HydrophobicContact CG-CE1 4.4Å; R408-F539 HydrophobicContact CG-CZ 3.76Å
540	I	28.7	Very low	27.8	Very low	143 Å²	143	126.2 Å²	126.2	73%	0.733	67%	0.671	S	S	*	*				-177.7	177.5	77.3	-81.6	178.4	0	0	0	109.9
541	M	28.6	Very low	27.7	Very low	93 Å²	93	128.9 Å²	128.9	46%	0.458	68%	0.676	S	S	.	*				-177.1	-179.7	-68.7	-130.3	-81	-73.2	0	0	112.8	E412	E412-M541 HydrophobicContact CG-CE 4.42Å; E412-M541 WeakPolarHBondContact OE1-CB 3.28Å; E412-M541 WeakPolarHBondContact OE1-CG 3.45Å
542	N	30	Very low	27.6	Very low	79 Å²	79	127 Å²	127	42%	0.422	67%	0.673	S	S	.	*			trans	96.2	135	145.3	-126.6	-30.4	0	0	0	125.2	E412	E412-N542 PolarHBondContact OE2-ND2 3.28Å
543	R	26.4	Very low	27.8	Very low	200 Å²	200	130.6 Å²	130.6	76%	0.755	68%	0.682	S	S	*	*			trans	74.5	147.1	156.7	-52.5	-159.2	177.8	-171.9	-0	122.8
544	L	26.5	Very low	27.8	Very low	117 Å²	117	131 Å²	131	61%	0.613	68%	0.682	S	S	*	*			cis	-165.8	146.5	-17.9	-101.9	-176.4	0	0	0	114.9
545	F	26.2	Very low	28	Very low	180 Å²	180	131.7 Å²	131.7	79%	0.789	69%	0.689	S	S	*	*			trans	62.8	151.9	148.3	-69.1	-46.2	0	0	0	127.8
546	S	28.7	Very low	28	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	70%	0.695	S	S	*	*			trans	82.7	141.4	157.1	-59.8	0	0	0	0	119.1
547	N	28.3	Very low	28.1	Very low	153 Å²	153	133 Å²	133	82%	0.818	70%	0.702	S	S	*	*			cis	-160	161.1	-13.8	-147.4	24.3	0	0	0	109.5
548	P	32	Very low	28	Very low	98 Å²	98	134.2 Å²	134.2	64%	0.636	72%	0.719	S	S	*	*			trans	-102.8	152	-176.3	37.7	-31.8	0	0	0	115.3
549	N	25.2	Very low	28.2	Very low	157 Å²	157	136.7 Å²	136.7	84%	0.84	74%	0.738	S	S	*	*			trans	174.9	132.4	148.6	-101.6	-40.1	0	0	0	114.2
550	S	33.5	Very low	28.2	Very low	120 Å²	120	140.2 Å²	140.2	84%	0.839	76%	0.761	S	S	*	*			trans	169.9	152	134.3	45.9	0	0	0	0	113.4
551	F	25.8	Very low	28.3	Very low	212 Å²	212	137.1 Å²	137.1	93%	0.93	76%	0.764	S	S	*	*			trans	-101.4	156.1	-179.2	-80.6	-121.9	0	0	0	111.9
552	G	25.5	Very low	28.5	Very low	67 Å²	67	142 Å²	142	69%	0.691	79%	0.785	S	S	*	*			trans	171.1	95.3	153.7	0	0	0	0	0	122.1
553	K	31.3	Very low	28.2	Very low	215 Å²	215	143.5 Å²	143.5	94%	0.935	80%	0.801	S	S	*	*			trans	74.1	136.7	138.1	-57.3	173.1	-176.7	175.4	0	121
554	I	25.6	Very low	28.4	Very low	149 Å²	149	140.6 Å²	140.6	76%	0.764	81%	0.805	S	S	*	*			trans	-124.1	151.1	166.6	-58.1	164.2	0	0	0	107.5
555	P	31	Very low	28.2	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	81%	0.813	S	S	*	*			trans	-133.4	165.8	140.8	36.1	-23.9	0	0	0	114.3
556	F	24.9	Very low	28.3	Very low	196 Å²	196	140.1 Å²	140.1	86%	0.86	82%	0.819	S	S	*	*			trans	-98.7	149.8	-171.3	-75.9	-111.1	0	0	0	114.7
557	S	29.1	Very low	28.3	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	81%	0.812	S	S	*	*			trans	-165.6	137.1	135.6	49.4	0	0	0	0	108.8
558	S	25.7	Very low	28.2	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	81%	0.809	S	S	*	*			cis	95.2	96.4	29.3	-61.3	0	0	0	0	114.3
559	T	31.8	Very low	28.2	Very low	146 Å²	146	139.7 Å²	139.7	90%	0.896	82%	0.815	S	S	*	*			trans	-164.1	157.5	147.1	7	0	0	0	0	111.4
560	N	27.2	Very low	28.4	Very low	167 Å²	167	138.5 Å²	138.5	89%	0.893	81%	0.813	S	S	*	*			trans	-99.5	160.5	-158.9	-55.8	-28.3	0	0	0	114.9
561	G	32	Very low	28.4	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	81%	0.811	S	S	*	*			trans	-158.3	137.3	164.4	0	0	0	0	0	111.1
562	H	31.2	Very low	28.5	Very low	196 Å²	196	140.4 Å²	140.4	91%	0.907	81%	0.811	S	S	*	*			trans	-95.3	157.9	-165.3	-104.5	-89.4	0	0	0	115.7
563	C	24.2	Very low	28.7	Very low	111 Å²	111	146.6 Å²	146.6	75%	0.75	82%	0.823	S	S	*	*			trans	-88.5	153.1	177.9	-41.9	0	0	0	0	113.4
564	V	29.9	Very low	28.8	Very low	139 Å²	139	142.9 Å²	142.9	84%	0.842	82%	0.822	S	S	*	*			trans	-141.9	140.9	150.7	-179.2	0	0	0	0	108.6
565	S	23.8	Very low	29	Very low	113 Å²	113	143.1 Å²	143.1	79%	0.79	83%	0.825	S	S	*	*			trans	-120.5	141.3	173	-57.5	0	0	0	0	110.1
566	L	28.6	Very low	29.1	Very low	174 Å²	174	146.6 Å²	146.6	91%	0.911	82%	0.822	S	S	*	*			trans	-147.7	146.8	167.6	-98.6	169.1	0	0	0	109.5
567	S	27.2	Very low	29.6	Very low	94 Å²	94	145.2 Å²	145.2	66%	0.657	82%	0.823	S	S	*	*			trans	-122	158.5	179.2	60.4	0	0	0	0	111.3
568	D	27.6	Very low	29.6	Very low	139 Å²	139	147.5 Å²	147.5	74%	0.743	82%	0.82	S	S	*	*			trans	141.7	154.7	135.7	-71.6	-3.5	0	0	0	116.1
569	T	32.1	Very low	30	Very low	123 Å²	123	154.5 Å²	154.5	76%	0.755	83%	0.832	S	S	*	*			trans	68.3	92.6	159.7	49.1	0	0	0	0	121.9
570	T	28.9	Very low	30.1	Very low	131 Å²	131	152.9 Å²	152.9	80%	0.804	82%	0.822	S	S	*	*				58.2	147.3	120.7	52	0	0	0	0	123.5
571	P	33.3	Very low	30.3	Very low	124 Å²	124	150.7 Å²	150.7	81%	0.805	82%	0.82	S	S	*	*			trans	-96.2	175.2	-171	40.3	-38.5	0	0	0	115.8
572	R	28.5	Very low	30.4	Very low	248 Å²	248	152.6 Å²	152.6	94%	0.936	82%	0.821	S	S	*	*			trans	-141.1	147.5	165.9	-92.3	-171.5	170.7	-165.4	-2.6	112.2
573	E	28.4	Very low	30.6	Very low	198 Å²	198	151.6 Å²	151.6	93%	0.925	82%	0.818	S	S	*	*			trans	-78.9	165.7	165.6	-64.6	169.1	118	0	0	111.4
574	C	33.9	Very low	31.2	Very low	137 Å²	137	154.6 Å²	154.6	93%	0.926	82%	0.819	S	S	*	*			trans	-140.1	140.7	167	-148.2	0	0	0	0	109.2
575	D	30.3	Very low	31.3	Very low	153 Å²	153	154 Å²	154	82%	0.818	81%	0.811	S	S	*	*			trans	-122.9	174.8	-155.5	-173.6	19.6	0	0	0	112.1
576	R	31.5	Very low	31.9	Very low	199 Å²	199	153.7 Å²	153.7	75%	0.751	81%	0.809	S	S	*	*			trans	85.7	120.1	147.5	-152	179.4	-162.7	169.7	6.6	118.5
577	L	36.1	Very low	32.2	Very low	167 Å²	167	151 Å²	151	87%	0.874	80%	0.804	S	S	*	*				-174.2	139.8	107.9	-96.8	166.5	0	0	0	112.8
578	E	28.9	Very low	32.6	Very low	161 Å²	161	150.4 Å²	150.4	75%	0.752	81%	0.806	S	S	*	*			trans	-101.9	162.9	-174	-57.2	170.6	105.7	0	0	113.6
579	R	33.9	Very low	32.9	Very low	248 Å²	248	150.5 Å²	150.5	94%	0.936	81%	0.806	S	S	*	*			trans	-155	158.5	143.4	-130	169.7	-74.8	-171.5	-1.6	111.4
580	T	33.6	Very low	32.9	Very low	112 Å²	112	152.5 Å²	152.5	69%	0.687	80%	0.804	S	S	*	*			trans	-131.6	177.6	-148.2	53.2	0	0	0	0	115.4
581	S	33.2	Very low	33	Very low	121 Å²	121	152.9 Å²	152.9	85%	0.846	80%	0.801	S	S	*	*			trans	84.3	149.5	170.8	84.7	0	0	0	0	116.7
582	S	33.4	Very low	32.8	Very low	117 Å²	117	151 Å²	151	82%	0.818	80%	0.796	S	S	*	*			cis	-144.7	173.9	5.1	69.9	0	0	0	0	113.8
583	M	35.9	Very low	33	Very low	174 Å²	174	147.8 Å²	147.8	86%	0.857	79%	0.789	S	S	*	*			trans	-82.6	160.1	-165.8	-58.5	161.5	164	0	0	115.7
584	K	36.4	Very low	33.1	Very low	175 Å²	175	144.5 Å²	144.5	76%	0.761	78%	0.778	S	S	*	*				172.4	137.8	105.6	-90.8	-170.3	171.7	-168.8	0	116.1
585	D	32.7	Very low	32.9	Very low	125 Å²	125	143.1 Å²	143.1	67%	0.668	77%	0.766	S	S	*	*			trans	37.1	140.9	132.6	-32.1	-32.3	0	0	0	120.3
586	S	35.5	Very low	32.8	Very low	108 Å²	108	143.5 Å²	143.5	76%	0.755	77%	0.766	S	S	*	*			cis	-157.7	170.2	24	-48.5	0	0	0	0	115.1
587	S	34.6	Very low	32.8	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	77%	0.768	S	S	*	*			trans	-24.8	170.3	156.1	56	0	0	0	0	121.4
588	A	35.1	Very low	32.5	Very low	83 Å²	83	135.3 Å²	135.3	69%	0.686	76%	0.76	S	S	*	*			cis	173.9	165.3	-23.2	0	0	0	0	0	109.9
589	N	33.8	Very low	32.8	Very low	140 Å²	140	135.6 Å²	135.6	75%	0.749	77%	0.767	S	S	*	*			trans	63.5	167.9	163.5	-77.7	-30.8	0	0	0	117.6
590	K	32.5	Very low	32.6	Very low	166 Å²	166	130 Å²	130	72%	0.722	76%	0.756	S	S	*	*			cis	-166.3	160.5	-44.7	-117.4	-178.7	-165.8	170.5	0	109.7
591	N	30.6	Very low	32.6	Very low	139 Å²	139	134.3 Å²	134.3	74%	0.743	77%	0.768	S	S	*	*			trans	63.5	106.3	152.5	-61.7	4.9	0	0	0	122
592	A	30.1	Very low	32.4	Very low	84 Å²	84	134.1 Å²	134.1	69%	0.694	76%	0.762	S	S	*	*				76.7	162.6	113.6	0	0	0	0	0	123.6
593	F	32.1	Very low	32.2	Very low	180 Å²	180	135.1 Å²	135.1	79%	0.789	76%	0.762	S	S	*	*			trans	85.7	115.1	161.8	-68.4	-70.4	0	0	0	122.1
594	N	31.3	Very low	31.9	Very low	130 Å²	130	134 Å²	134	70%	0.695	76%	0.755	S	S	*	*				71.1	109.3	127.1	-73.5	7.8	0	0	0	124.2
595	T	29.1	Very low	31.8	Very low	108 Å²	108	133.1 Å²	133.1	66%	0.663	76%	0.757	S	S	*	*				69.5	119	102.5	-53.5	0	0	0	0	121.5
596	I	28.3	Very low	31.5	Very low	161 Å²	161	132.7 Å²	132.7	83%	0.826	76%	0.755	S	S	*	*			trans	71.1	126.8	155.9	-68.1	166.5	0	0	0	118.3
597	G	32.2	Very low	31.4	Very low	78 Å²	78	135.5 Å²	135.5	80%	0.804	76%	0.761	S	S	*	*			trans	-175.9	109.9	164.5	0	0	0	0	0	110.3
598	V	30.2	Very low	31.1	Very low	115 Å²	115	136 Å²	136	70%	0.697	76%	0.759	S	S	*	*			trans	-101.3	146.1	-173.9	-175.1	0	0	0	0	110.3
599	N	33.4	Very low	31	Very low	167 Å²	167	139.3 Å²	139.3	89%	0.893	77%	0.771	S	S	*	*			trans	-158.7	151.1	143.2	-104.6	-38.7	0	0	0	113.2
600	N	30.4	Very low	30.7	Very low	131 Å²	131	137.4 Å²	137.4	70%	0.701	77%	0.769	S	S	*	*			trans	-97.9	157.3	-169.7	-59.3	-48.6	0	0	0	113
601	Q	34.4	Very low	30.7	Very low	202 Å²	202	137.3 Å²	137.3	94%	0.944	78%	0.775	S	S	*	*			trans	-150.8	145.6	132.6	-113.1	167.9	27.8	0	0	110.9
602	V	27.9	Very low	30.5	Very low	118 Å²	118	137.6 Å²	137.6	72%	0.715	78%	0.776	S	S	*	*			trans	-129.6	135.1	-169	172.8	0	0	0	0	109.8
603	V	30.6	Very low	30.6	Very low	137 Å²	137	140.7 Å²	140.7	83%	0.83	79%	0.786	S	S	*	*			trans	-137.7	116	157.4	-177.9	0	0	0	0	108.5
604	Q	28.4	Very low	30.5	Very low	151 Å²	151	136.9 Å²	136.9	71%	0.706	78%	0.782	S	S	*	*			trans	-101.8	142.4	161.8	-74.3	-174.3	-61.3	0	0	109.1
605	I	33.7	Very low	30.6	Very low	157 Å²	157	136.2 Å²	136.2	81%	0.805	78%	0.783	S	S	*	*			trans	-134.5	117.5	152	-59.5	-177.9	0	0	0	107.2
606	N	27.3	Very low	30.8	Very low	116 Å²	116	139.4 Å²	139.4	62%	0.62	79%	0.79	S	S	*	*			trans	-91.3	157	170	-57.5	-31.6	0	0	0	109.2
607	N	32.5	Very low	30.9	Very low	167 Å²	167	138.9 Å²	138.9	89%	0.893	79%	0.789	S	S	*	*				-170.7	151.8	125.1	-96.4	-19.4	0	0	0	113.1
608	T	28.5	Very low	30.8	Very low	126 Å²	126	140.8 Å²	140.8	77%	0.773	79%	0.785	S	S	*	*			trans	-104.9	150.9	-175.6	51.4	0	0	0	0	112.3
609	T	33.8	Very low	30.5	Very low	152 Å²	152	140.7 Å²	140.7	93%	0.933	78%	0.784	S	S	*	*			trans	-160.9	156.6	132.9	16	0	0	0	0	111.3
610	S	28.2	Very low	30.4	Very low	101 Å²	101	139.4 Å²	139.4	71%	0.706	78%	0.782	S	S	*	*			trans	-114.9	169.3	-172.3	52.9	0	0	0	0	112.6
611	I	32.6	Very low	30.1	Very low	164 Å²	164	141.8 Å²	141.8	84%	0.841	79%	0.787	S	S	*	*			trans	-165.5	140.3	142	-99	148.4	0	0	0	109
612	N	26.5	Very low	29.9	Very low	145 Å²	145	141.2 Å²	141.2	78%	0.775	78%	0.784	S	S	*	*			trans	-108.4	152.6	176.7	-67.9	-10.2	0	0	0	111
613	V	31.6	Very low	29.8	Very low	148 Å²	148	143 Å²	143	90%	0.897	79%	0.79	S	S	*	*			trans	-143.8	145.1	145.5	-175.1	0	0	0	0	108.1
614	S	29.2	Very low	29.8	Very low	100 Å²	100	143 Å²	143	70%	0.699	79%	0.79	S	S	*	*			trans	-157.3	145	-171.4	53.7	0	0	0	0	112.7
615	T	34.2	Very low	29.7	Very low	117 Å²	117	144.2 Å²	144.2	72%	0.718	80%	0.802	S	S	*	*			trans	-178.9	125.5	159.5	29.6	0	0	0	0	105.9
616	E	32.2	Very low	29.5	Very low	175 Å²	175	140.5 Å²	140.5	82%	0.818	80%	0.802	S	S	*	*				66.7	131.3	74	-66.2	169.3	-167	0	0	112.6
617	D	30.2	Very low	29.5	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	81%	0.812	S	S	*	*			cis	-153.3	-163.9	-11.4	-156.8	29.7	0	0	0	107.7
618	V	31.3	Very low	29.4	Very low	119 Å²	119	140 Å²	140	72%	0.721	81%	0.807	S	S	*	*			cis	-157.7	174.7	13.9	63.9	0	0	0	0	110.1
619	V	24.5	Very low	29.5	Very low	112 Å²	112	142.7 Å²	142.7	68%	0.679	81%	0.811	S	S	*	*			trans	-123.2	140.6	-177.6	175	0	0	0	0	113	F621	V619-F621 HydrophobicContact CG1-CD2 4.49Å
620	T	30.4	Very low	29.5	Very low	140 Å²	140	140.3 Å²	140.3	86%	0.859	80%	0.798	S	S	*	*			trans	-152.2	146.1	151.2	19.7	0	0	0	0	112.7
621	F	24.3	Very low	29.7	Very low	182 Å²	182	143.6 Å²	143.6	80%	0.798	80%	0.802	S	S	*	*			trans	-102.6	163.8	168.4	-81.8	-114.7	0	0	0	109.6	V619	V619-F621 HydrophobicContact CG1-CD2 4.49Å
622	E	30.4	Very low	29.4	Very low	189 Å²	189	142.5 Å²	142.5	88%	0.883	80%	0.798	S	S	*	*				-169	154.7	119.3	-108.9	173.6	-162.9	0	0	113.8
623	N	24.9	Very low	29.7	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	80%	0.802	S	S	*	*			trans	-115	136.3	175.6	-83.3	-38.1	0	0	0	109.5
624	T	31.9	Very low	29.4	Very low	138 Å²	138	141.4 Å²	141.4	85%	0.847	80%	0.802	S	S	*	*			trans	-140.1	132.4	161.5	47.9	0	0	0	0	112.1
625	N	25.2	Very low	29.5	Very low	176 Å²	176	142.7 Å²	142.7	94%	0.941	81%	0.811	S	S	*	*			trans	-85	147.7	173.3	-68.7	-55.4	0	0	0	110.8
626	G	31.1	Very low	29	Very low	80 Å²	80	142.9 Å²	142.9	83%	0.825	82%	0.817	S	S	*	*			trans	-142.9	149	168.8	0	0	0	0	0	110.1
627	S	25.9	Very low	28.9	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	82%	0.818	S	S	*	*			trans	-142.5	-171.1	-166.1	-169	0	0	0	0	112.2
628	I	31.1	Very low	28.7	Very low	154 Å²	154	143.6 Å²	143.6	79%	0.79	82%	0.823	S	S	*	*			trans	84.4	94.7	173.4	-53.3	166.7	0	0	0	113
629	H	30.2	Very low	28.4	Very low	182 Å²	182	143.5 Å²	143.5	84%	0.843	83%	0.826	S	S	*	*				101.6	157.7	81.4	-123.6	-129.3	0	0	0	112.1
630	P	35.1	Very low	28.5	Very low	102 Å²	102	142.9 Å²	142.9	66%	0.662	83%	0.827	S	S	*	*			trans	-114.7	-173.4	-148	42.7	-35.8	0	0	0	114
631	Q	31.4	Very low	28.2	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	83%	0.827	S	S	*	*			trans	-158.8	159.8	145.5	-101.2	-63.1	-9.1	0	0	111.5
632	N	26.2	Very low	28.3	Very low	140 Å²	140	143 Å²	143	75%	0.749	82%	0.817	S	S	*	*			trans	-73.1	147.6	-170.3	-57.6	-80.6	0	0	0	114.8
633	S	31.8	Very low	28.1	Very low	125 Å²	125	138.4 Å²	138.4	87%	0.874	80%	0.803	S	S	*	*				-163.1	141.5	127.8	40.7	0	0	0	0	111.6
634	T	27	Very low	28.1	Very low	146 Å²	146	138.8 Å²	138.8	90%	0.896	81%	0.805	S	S	*	*			trans	-106.3	133.3	-175.2	50.9	0	0	0	0	112
635	S	30.4	Very low	28	Very low	127 Å²	127	136.7 Å²	136.7	89%	0.888	79%	0.789	S	S	*	*			trans	-141.6	142	157.1	54.6	0	0	0	0	109.9
636	S	24.6	Very low	28.2	Very low	120 Å²	120	135.7 Å²	135.7	84%	0.839	78%	0.776	S	S	*	*			trans	-104.2	127.1	-166.4	-175.6	0	0	0	0	111.7
637	A	29.9	Very low	28.3	Very low	100 Å²	100	134.3 Å²	134.3	83%	0.826	76%	0.757	S	S	*	*			trans	-146.5	95.8	169.8	0	0	0	0	0	110.3
638	R	25.4	Very low	28.7	Very low	240 Å²	240	136 Å²	136	91%	0.906	76%	0.756	S	S	*	*			trans	-74.3	131.8	166.6	-74	175.7	170.2	162.8	-5.1	109.3
639	C	24.4	Very low	29	Very low	116 Å²	116	133.5 Å²	133.5	78%	0.784	74%	0.742	S	S	*	*			trans	-152.1	86.2	150.3	-150	0	0	0	0	113	I641	C639-I641 PolarHBondContact O-N 3.26Å
640	S	26.9	Very low	29.9	Very low	100 Å²	100	126.1 Å²	126.1	70%	0.699	71%	0.708	S	S	*	*			trans	41.6	73.4	134.4	-51.1	0	0	0	0	119.5	R642	S640-R642 PolarHBondContact O-N 3.31Å
641	I	24.2	Very low	30.5	Very low	168 Å²	168	125.3 Å²	125.3	86%	0.862	70%	0.697	S	S	*	*			trans	-68.7	97.9	153.5	-58.4	174.8	0	0	0	107.6	C639 P643	C639-I641 PolarHBondContact O-N 3.26Å; I641-P643 WeakPolarHBondContact O-CD 3.46Å
642	R	26.2	Very low	31.3	Very low	156 Å²	156	118.8 Å²	118.8	59%	0.589	67%	0.668	S	S	*	*			trans	-77.3	123.1	173.3	-79.8	-169.9	173.9	-158.5	-5.5	110.2	D178 S640	D178-R642 IonicContact OD1-CZ 3.72Å; D178-R642 IonicContact OD1-NH2 3.41Å; D178-R642 PolarHBondContact OD1-NH2 2.81Å; D178-R642 IonicContact OD2-CZ 3.72Å; D178-R642 IonicContact OD2-NH1 2.7Å; D178-R642 PolarHBondContact OD2-NH1 3.18Å; D178-R642 IonicContact OD2-NH2 2.8Å; D178-R642 PolarHBondContact OD2-NH2 3.09Å; S640-R642 PolarHBondContact O-N 3.31Å
643	P	25.5	Very low	32.2	Very low	92 Å²	92	116.1 Å²	116.1	60%	0.597	65%	0.654	S	S	*	*			trans	-69.7	130.8	161.5	29.9	-31.4	0	0	0	108.7	I641 L645	I641-P643 WeakPolarHBondContact O-CD 3.46Å; P643-L645 HydrophobicContact CG-CG 4.33Å; P643-L645 PolarHBondContact O-N 3.4Å
644	N	26	Very low	32.9	Very low	163 Å²	163	110.6 Å²	110.6	87%	0.872	62%	0.615	S	S	*	*			trans	-73.3	110.7	172.6	-83.7	-27.5	0	0	0	109.2
645	L	29.4	Very low	33.7	Very low	95 Å²	95	106.5 Å²	106.5	50%	0.497	59%	0.59	S	S	.	*			trans	-93.1	143.1	-167.1	-75.2	162.8	0	0	0	113.2	W172 P643	W172-L645 HydrophobicContact CH2-CB 3.96Å; W172-L645 HydrophobicContact CH2-CD2 3.73Å; W172-L645 HydrophobicContact CH2-CG 4.29Å; W172-L645 HydrophobicContact CZ2-CB 3.7Å; W172-L645 HydrophobicContact CZ2-CD1 4.44Å; W172-L645 HydrophobicContact CZ2-CD2 4.3Å; W172-L645 HydrophobicContact CZ2-CG 4.36Å; W172-L645 HydrophobicContact CZ3-CD2 4.31Å; P643-L645 HydrophobicContact CG-CG 4.33Å; P643-L645 PolarHBondContact O-N 3.4Å
646	F	30.2	Very low	34.3	Very low	155 Å²	155	104 Å²	104	68%	0.68	57%	0.57	S	S	*	*			trans	-58.8	139.4	-166.1	-84.9	-103.8	0	0	0	118.5
647	A	32.3	Very low	35	Very low	50 Å²	50	100.3 Å²	100.3	41%	0.413	54%	0.544	S	S	.	.				65.6	91.7	126.7	0	0	0	0	0	122	Q649	A647-Q649 PolarHBondContact O-N 3.29Å
648	D	34.8	Very low	35.5	Very low	153 Å²	153	102.6 Å²	102.6	82%	0.818	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	87.9	149.3	-85.6	-52.1	0	0	0	111.4
649	Q	36.7	Very low	36.2	Very low	103 Å²	103	99.3 Å²	99.3	48%	0.481	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-171.2	-3.6	159.3	-117.1	171.4	83	0	0	116.3	D510 P511 A647 M651	D510-Q649 VanDerWaalsContact C-NE2 3.3Å; D510-Q649 PolarHBondContact O-NE2 3.23Å; D510-Q649 PolarHBondContact O-OE1 2.87Å; P511-Q649 HydrophobicContact CB-CG 4.06Å; A647-Q649 PolarHBondContact O-N 3.29Å; Q649-M651 VanDerWaalsContact C-N 3.25Å; Q649-M651 PolarHBondContact O-N 3.09Å
650	N	49	Very low	37.2	Very low	27 Å²	27	102.6 Å²	102.6	14%	0.144	53%	0.527	C	S	.	.			trans	-76	26.3	-161.8	-70.8	-14.9	0	0	0	117.7	N128 G153 I154 Y165	N128-N650 PolarHBondContact ND2-OD1 3.42Å; G153-N650 WeakPolarHBondContact CA-O 3.38Å; I154-N650 PolarHBondContact O-ND2 3.44Å; Y165-N650 HydrophobicContact CE2-CB 4.43Å
651	M	47.3	Very low	38.2	Very low	84 Å²	84	99.7 Å²	99.7	41%	0.414	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.9	167.6	-79.2	-77.2	94.7	0	0	110	C152 Y162 Y165 M166 Q649	C152-M651 WeakPolarHBondContact O-CE 3.5Å; Y162-M651 HydrophobicContact CD2-SD 4.11Å; Y162-M651 HydrophobicContact CE2-SD 4.22Å; Y165-M651 HydrophobicContact CD1-CE 3.41Å; Y165-M651 VanDerWaalsContact CD1-CE 3.41Å; Y165-M651 HydrophobicContact CE1-CE 3.64Å; Y165-M651 HydrophobicContact CG-CE 3.9Å; M166-M651 HydrophobicContact CE-CE 4.25Å; M166-M651 HydrophobicContact CE-CG 4.44Å; M166-M651 HydrophobicContact CE-SD 3.71Å; Q649-M651 VanDerWaalsContact C-N 3.25Å; Q649-M651 PolarHBondContact O-N 3.09Å
652	V	49.9	Very low	39.5	Very low	34 Å²	34	94.6 Å²	94.6	21%	0.206	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.1	-167.8	-177.7	0	0	0	0	111.2	L127 N128	L127-V652 HydrophobicContact CD2-CB 4.05Å; L127-V652 HydrophobicContact CD2-CG1 3.72Å; N128-V652 WeakPolarHBondContact OD1-CG2 3.12Å
653	N	43.7	Very low	40.6	Very low	85 Å²	85	91.4 Å²	91.4	46%	0.455	48%	0.476	S	S	.	.			trans	-70.9	139.4	165.4	-76.5	7.4	0	0	0	109.6	V655	N653-V655 PolarHBondContact O-N 3.21Å
654	I	47.2	Very low	42	Very low	8 Å²	8	90.9 Å²	90.9	4%	0.041	47%	0.468	C	S	.	.			trans	-80.5	87	-174.4	-59.3	150.3	0	0	0	109.8	L127 F137 H147 D150	L127-I654 HydrophobicContact CD2-CG1 4.17Å; F137-I654 HydrophobicContact CE1-CD1 3.62Å; F137-I654 HydrophobicContact CE1-CG1 4.05Å; F137-I654 HydrophobicContact CZ-CD1 4.02Å; F137-I654 HydrophobicContact CZ-CG1 4.03Å; H147-I654 WeakPolarHBondContact O-CD1 3.21Å; D150-I654 HydrophobicContact CB-CD1 4.3Å; D150-I654 WeakPolarHBondContact O-CD1 3.5Å
655	V	43.2	Very low	43.2	Very low	61 Å²	61	86.3 Å²	86.3	37%	0.37	44%	0.441	S	S	.	.			trans	-82.1	138	-178.7	-174.4	0	0	0	0	111.6	I514 N653	I514-V655 HydrophobicContact CG2-CG2 4.21Å; N653-V655 PolarHBondContact O-N 3.21Å
656	P	42.6	Very low	44.6	Very low	74 Å²	74	83.8 Å²	83.8	48%	0.481	43%	0.425	S	S	.	.			trans	-56.7	136	171.3	-26.1	35.8	0	0	0	112.8	N658	P656-N658 PolarHBondContact O-N 3.24Å
657	S	41.2	Very low	45.6	Very low	42 Å²	42	79.7 Å²	79.7	29%	0.294	41%	0.407	S	S	.	.			trans	-100.2	64.6	-157.4	70.5	0	0	0	0	115.9	K126 Y659	K126-S657 VanDerWaalsContact CE-OG 3.26Å; K126-S657 WeakPolarHBondContact CE-OG 3.44Å; K126-S657 VanDerWaalsContact NZ-CB 3.34Å; K126-S657 PolarHBondContact NZ-O 2.68Å; K126-S657 PolarHBondContact NZ-OG 3.15Å; S657-Y659 PolarHBondContact O-N 2.72Å
658	N	39.4	Very low	46.5	Very low	148 Å²	148	77.9 Å²	77.9	79%	0.791	39%	0.391	S	S	*	.			trans	-71.7	52.8	179.2	-70	1.3	0	0	0	114.3	P656	P656-N658 PolarHBondContact O-N 3.24Å
659	Y	40.9	Very low	47.4	Very low	171 Å²	171	72.1 Å²	72.1	67%	0.671	37%	0.365	S	S	*	.			trans	-142.3	127.7	168.5	-92.1	-82.1	0	0	0	110.9	K126 S657	K126-Y659 PolarHBondContact NZ-O 2.81Å; S657-Y659 PolarHBondContact O-N 2.72Å
660	R	45.4	Very low	48.1	Very low	186 Å²	186	70.5 Å²	70.5	70%	0.702	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-101.3	141.9	162.7	-78.6	-177.9	164.2	167.3	-5.7	109	E120	E120-R660 PolarHBondContact O-NH2 2.86Å
661	L	48	Very low	48.3	Very low	38 Å²	38	70.6 Å²	70.6	20%	0.199	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-75.3	136.7	169	-73.9	170.4	0	0	0	109.4	Y94 I100 R105 Y108	Y94-L661 HydrophobicContact CD2-CD2 3.48Å; Y94-L661 VanDerWaalsContact CD2-CD2 3.48Å; Y94-L661 HydrophobicContact CE2-CD2 3.75Å; I100-L661 HydrophobicContact CD1-CD2 4.43Å; R105-L661 HydrophobicContact CG-CD1 4.39Å; Y108-L661 HydrophobicContact CD2-CD1 4.12Å; Y108-L661 HydrophobicContact CG-CD1 4.33Å
662	P	49.7	Very low	48	Very low	62 Å²	62	71.4 Å²	71.4	40%	0.403	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-60.4	143.1	174.8	24.8	-32.8	0	0	0	110.9	R105	R105-P662 PolarHBondContact NH2-O 3.19Å
663	N	50.2	Low	47.4	Very low	88 Å²	88	73 Å²	73	47%	0.471	38%	0.38	S	S	.	.			trans	-88.7	-6.8	177.5	-81.7	-37.6	0	0	0	113.6	R105 K109 E120 F665	R105-N663 PolarHBondContact NH2-OD1 2.93Å; K109-N663 PolarHBondContact NZ-OD1 3.21Å; E120-N663 PolarHBondContact OE2-ND2 2.98Å; N663-F665 PolarHBondContact O-N 3.43Å
664	N	54.4	Low	47	Very low	81 Å²	81	71.5 Å²	71.5	43%	0.433	37%	0.374	S	S	.	.			trans	-64.7	126.6	170.4	-65.2	-20.1	0	0	0	111	Y666	N664-Y666 HydrophobicContact CB-CE2 3.99Å
665	F	52.8	Low	46.2	Very low	68 Å²	68	79.9 Å²	79.9	30%	0.298	42%	0.419	S	S	.	.			trans	-116.8	148.5	178.4	61.1	-80.5	0	0	0	111.6	K39 W92 N663 F667	K39-F665 HydrophobicContact CB-CD2 4.07Å; K39-F665 HydrophobicContact CB-CE1 4.44Å; K39-F665 HydrophobicContact CB-CE2 3.7Å; K39-F665 HydrophobicContact CB-CZ 3.9Å; K39-F665 HydrophobicContact CD-CE2 3.47Å; K39-F665 VanDerWaalsContact CD-CE2 3.47Å; K39-F665 HydrophobicContact CD-CZ 3.53Å; K39-F665 HydrophobicContact CG-CE2 4.16Å; K39-F665 HydrophobicContact CG-CZ 4.22Å; K39-F665 PolarHBondContact N-O 2.95Å; K39-F665 VanDerWaalsContact N-O 3.09Å; W92-F665 HydrophobicContact CG-CB 4.46Å; W92-F665 HydrophobicContact CZ2-CB 4.43Å; W92-F665 VanDerWaalsContact NE1-CB 3.27Å; N663-F665 PolarHBondContact O-N 3.43Å; F665-F667 HydrophobicContact CE2-CE2 4.37Å; F665-F667 HydrophobicContact CE2-CZ 4.24Å
666	Y	57.1	Low	46.3	Very low	42 Å²	42	80.8 Å²	80.8	17%	0.165	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.3	-172.4	-60.1	-103.9	0	0	0	110	L36 I37 K38 C91 I93 N664	L36-Y666 HydrophobicContact CB-CD1 4.21Å; I37-Y666 WeakPolarHBondContact O-CA 3.45Å; K38-Y666 HydrophobicContact CB-CD1 3.85Å; K38-Y666 HydrophobicContact CB-CE1 3.58Å; K38-Y666 HydrophobicContact CD-CE1 4.36Å; K38-Y666 HydrophobicContact CG-CE1 4.04Å; C91-Y666 PolarHBondContact N-O 2.94Å; C91-Y666 PolarHBondContact O-N 3.32Å; C91-Y666 VanDerWaalsContact O-N 3.14Å; C91-Y666 PolarHBondContact SG-O 3.31Å; I93-Y666 HydrophobicContact CB-CD2 4.34Å; I93-Y666 HydrophobicContact CB-CE2 4.06Å; I93-Y666 HydrophobicContact CD1-CD1 3.78Å; I93-Y666 HydrophobicContact CD1-CD2 4.04Å; I93-Y666 HydrophobicContact CD1-CE1 3.48Å; I93-Y666 VanDerWaalsContact CD1-CE1 3.48Å; I93-Y666 HydrophobicContact CD1-CE2 3.82Å; I93-Y666 HydrophobicContact CD1-CG 4.06Å; I93-Y666 HydrophobicContact CG1-CD1 4.36Å; I93-Y666 HydrophobicContact CG1-CD2 3.84Å; I93-Y666 HydrophobicContact CG1-CE1 4.34Å; I93-Y666 HydrophobicContact CG1-CE2 3.88Å; I93-Y666 HydrophobicContact CG1-CG 4.13Å; N664-Y666 HydrophobicContact CB-CE2 3.99Å
667	F	52.7	Low	46.5	Very low	68 Å²	68	81.2 Å²	81.2	30%	0.298	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136	170	-64.9	-82.2	0	0	0	109.7	I37 K39 E89 F665 A669	I37-F667 PolarHBondContact N-O 3.17Å; I37-F667 VanDerWaalsContact N-O 3.1Å; I37-F667 PolarHBondContact O-N 3.25Å; K39-F667 HydrophobicContact CB-CD2 4.37Å; K39-F667 HydrophobicContact CB-CE2 3.75Å; K39-F667 HydrophobicContact CD-CE2 3.74Å; K39-F667 HydrophobicContact CD-CZ 4.05Å; K39-F667 HydrophobicContact CG-CE2 3.8Å; E89-F667 WeakPolarHBondContact O-CD1 3.39Å; E89-F667 WeakPolarHBondContact O-CE1 3.39Å; F665-F667 HydrophobicContact CE2-CE2 4.37Å; F665-F667 HydrophobicContact CE2-CZ 4.24Å; F667-A669 PolarHBondContact O-N 3.24Å
668	P	50.6	Low	46.8	Very low	13 Å²	13	83.3 Å²	83.3	8%	0.084	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	110.8	164.2	30.1	-30	0	0	0	110.1	I34 F75 N88	I34-P668 HydrophobicContact CG2-CB 3.68Å; F75-P668 HydrophobicContact CE1-CB 3.56Å; F75-P668 HydrophobicContact CE1-CG 4.26Å; F75-P668 HydrophobicContact CZ-CB 3.74Å; N88-P668 WeakPolarHBondContact O-CD 3.24Å; N88-P668 WeakPolarHBondContact O-CG 2.87Å
669	A	52.8	Low	47.3	Very low	32 Å²	32	79.5 Å²	79.5	26%	0.264	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.1	170.8	0	0	0	0	0	109.9	V35 I37 F667 A671	V35-A669 PolarHBondContact N-O 3.38Å; V35-A669 PolarHBondContact O-N 3.24Å; I37-A669 HydrophobicContact CD1-CB 3.73Å; I37-A669 HydrophobicContact CG1-CB 4.23Å; F667-A669 PolarHBondContact O-N 3.24Å; A669-A671 PolarHBondContact O-N 2.69Å
670	I	52.3	Low	47.7	Very low	68 Å²	68	73.8 Å²	73.8	35%	0.349	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.4	172.5	-49	-177.4	0	0	0	109.4	I32 L33 F86 L672	I32-I670 HydrophobicContact CG2-CG2 3.31Å; L33-I670 WeakPolarHBondContact O-CA 3.43Å; F86-I670 HydrophobicContact CB-CD1 3.74Å; F86-I670 HydrophobicContact CB-CG1 3.75Å; F86-I670 HydrophobicContact CD1-CD1 3.69Å; F86-I670 HydrophobicContact CD2-CD1 4.47Å; F86-I670 HydrophobicContact CE1-CD1 4.44Å; F86-I670 HydrophobicContact CG-CD1 3.72Å; F86-I670 HydrophobicContact CG-CG1 4.3Å; I670-L672 HydrophobicContact CG2-CD2 3.84Å; I670-L672 HydrophobicContact CG2-CG 3.76Å; I670-L672 PolarHBondContact O-N 3.02Å
671	A	53.5	Low	47.8	Very low	30 Å²	30	66.3 Å²	66.3	25%	0.248	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	95.1	159.2	0	0	0	0	0	108.4	L33 V35 A669	L33-A671 HydrophobicContact CB-CB 4.34Å; L33-A671 PolarHBondContact N-O 3.48Å; L33-A671 PolarHBondContact O-N 3.25Å; V35-A671 HydrophobicContact CG2-CB 3.94Å; A669-A671 PolarHBondContact O-N 2.69Å
672	L	40.5	Very low	47.8	Very low	101 Å²	101	68.4 Å²	68.4	53%	0.529	38%	0.378	S	S	.	.			trans	-82.5	139.5	167.9	-71.5	174.5	0	0	0	109.8	I32 I670 T674	I32-L672 HydrophobicContact CB-CD2 4.46Å; I32-L672 HydrophobicContact CD1-CD2 3.83Å; I32-L672 HydrophobicContact CG1-CD2 3.89Å; I32-L672 HydrophobicContact CG2-CD2 3.79Å; I670-L672 HydrophobicContact CG2-CD2 3.84Å; I670-L672 HydrophobicContact CG2-CG 3.76Å; I670-L672 PolarHBondContact O-N 3.02Å; L672-T674 HydrophobicContact CB-CG2 4.5Å; L672-T674 PolarHBondContact O-N 3.39Å
673	P	36.6	Very low	47.7	Very low	66 Å²	66	68.8 Å²	68.8	43%	0.429	38%	0.376	S	S	.	.			trans	-76.3	78.2	159.8	33.5	-23.5	0	0	0	105.7	R31 N675	R31-P673 HydrophobicContact CB-CG 4.02Å; R31-P673 WeakPolarHBondContact O-CD 2.93Å; R31-P673 WeakPolarHBondContact O-CG 3.08Å; P673-N675 PolarHBondContact O-N 3.36Å
674	T	35.6	Very low	47.5	Very low	54 Å²	54	67.3 Å²	67.3	33%	0.331	37%	0.368	S	S	.	.			trans	-43.8	124.3	177.5	45.6	0	0	0	0	110.7	M1 L2 L672	M1-T674 WeakPolarHBondContact CA-OG1 3.17Å; M1-T674 PolarHBondContact N-OG1 2.66Å; L2-T674 CarbonylContact C-O 3.44Å; L2-T674 PolarHBondContact N-O 2.77Å; L2-T674 PolarHBondContact N-OG1 2.93Å; L672-T674 HydrophobicContact CB-CG2 4.5Å; L672-T674 PolarHBondContact O-N 3.39Å
675	N	30.8	Very low	46.8	Very low	184 Å²	184	66 Å²	66	98%	0.984	36%	0.362	S	S	*	.			trans	-57	0	-167	-146.7	59.7	0	0	0	115.5	S3 P673	S3-N675 WeakPolarHBondContact CA-OXT 3.41Å; S3-N675 WeakPolarHBondContact CB-OXT 3.42Å; S3-N675 PolarHBondContact N-O 3.34Å; S3-N675 VanDerWaalsContact N-O 3.17Å; P673-N675 PolarHBondContact O-N 3.36Å

Retrieved 675 of 675 residues in 515.9 ms (Link to these results)

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