A0A087YBY1_POEFO Loading...

Myosin light chain kinase family member 4

AlphaFold DB , UniProt , Accession A0A087YBY1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 748 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	P	40.3	Very low	46.5	Very low	179 Å²	179	113.5 Å²	113.5	100%	1.162	70%	0.698	S	S	*	*				0	80.9	0	29.4	-7.1	0	0	0	111.1
2	M	43.4	Very low	47.2	Very low	203 Å²	203	111.7 Å²	111.7	100%	1	68%	0.679	S	S	*	*			trans	-166.2	101	162.4	-83.9	-139.4	-159.7	0	0	106.5
3	G	41	Very low	48.1	Very low	68 Å²	68	110.4 Å²	110.4	70%	0.701	66%	0.664	S	S	*	*			trans	171	39.2	-178.5	0	0	0	0	0	115.8
4	D	41.1	Very low	48.6	Very low	146 Å²	146	109.2 Å²	109.2	78%	0.781	65%	0.648	S	S	*	*			trans	-139.1	6.7	177	-89	-35.8	0	0	0	115.2
5	S	45	Very low	49.4	Very low	118 Å²	118	108.5 Å²	108.5	83%	0.825	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-6.8	-176.6	70.3	0	0	0	0	115.5
6	S	46.5	Very low	50	Low	88 Å²	88	113.3 Å²	113.3	62%	0.615	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-24.5	-177.3	57.6	0	0	0	0	114.6
7	N	47.5	Very low	50.9	Low	109 Å²	109	111.6 Å²	111.6	58%	0.583	63%	0.631	S	S	*	*	H	α-helix	trans	-76.1	-38	179.3	-87.2	-2	0	0	0	112.5	G9 F10 D11	N7-G9 VanDerWaalsContact C-N 3.27Å; N7-G9 PolarHBondContact O-N 3.32Å; N7-F10 PolarHBondContact O-N 3.47Å; N7-F10 VanDerWaalsContact O-N 3.07Å; N7-D11 PolarHBondContact O-N 3.48Å
8	A	51.1	Low	51.3	Low	56 Å²	56	111.3 Å²	111.3	46%	0.463	62%	0.624	S	S	.	*	H	α-helix	trans	-61	-34.5	179.8	0	0	0	0	0	113.1	I12	A8-I12 VanDerWaalsContact O-CD1 3.3Å; A8-I12 WeakPolarHBondContact O-CD1 3.41Å; A8-I12 WeakPolarHBondContact O-CG1 3.41Å; A8-I12 PolarHBondContact O-N 3.06Å
9	G	48.5	Very low	51.7	Low	37 Å²	37	108.7 Å²	108.7	38%	0.381	61%	0.614	S	S	.	*	H	α-helix	trans	-71	-34	175.9	0	0	0	0	0	113.3	N7 I13	N7-G9 VanDerWaalsContact C-N 3.27Å; N7-G9 PolarHBondContact O-N 3.32Å; G9-I13 WeakPolarHBondContact O-CD1 3.28Å; G9-I13 WeakPolarHBondContact O-CG1 3.2Å; G9-I13 PolarHBondContact O-N 2.53Å
10	F	52.7	Low	52	Low	149 Å²	149	108.3 Å²	108.3	65%	0.654	61%	0.609	S	S	*	*	H	α-helix	trans	-72.6	-41.4	177.2	-120.6	-89.2	0	0	0	111.3	N7 I12 I13 Q14	N7-F10 PolarHBondContact O-N 3.47Å; N7-F10 VanDerWaalsContact O-N 3.07Å; F10-I12 VanDerWaalsContact C-N 3.33Å; F10-I12 PolarHBondContact O-N 3.5Å; F10-I13 PolarHBondContact O-N 3.13Å; F10-Q14 WeakPolarHBondContact O-CB 3.3Å; F10-Q14 PolarHBondContact O-N 2.89Å
11	D	53.8	Low	52.1	Low	95 Å²	95	106.1 Å²	106.1	51%	0.508	60%	0.601	S	S	.	*	H	α-helix	trans	-63.6	-37.5	176.6	-70.2	-25.4	0	0	0	112	N7 I13 Q14 N15	N7-D11 PolarHBondContact O-N 3.48Å; D11-I13 VanDerWaalsContact C-N 3.35Å; D11-I13 PolarHBondContact O-N 2.76Å; D11-Q14 PolarHBondContact O-N 3.25Å; D11-N15 VanDerWaalsContact O-CB 3.26Å; D11-N15 WeakPolarHBondContact O-CB 3.32Å; D11-N15 PolarHBondContact O-N 2.74Å; D11-N15 PolarHBondContact O-ND2 3.07Å; D11-N15 VanDerWaalsContact O-ND2 3.08Å
12	I	56	Low	53	Low	92 Å²	92	99 Å²	99	47%	0.472	56%	0.561	S	S	.	*	H	α-helix	trans	-66	-38	175.7	-68.5	164.5	0	0	0	111.5	A8 F10 R16	A8-I12 VanDerWaalsContact O-CD1 3.3Å; A8-I12 WeakPolarHBondContact O-CD1 3.41Å; A8-I12 WeakPolarHBondContact O-CG1 3.41Å; A8-I12 PolarHBondContact O-N 3.06Å; F10-I12 VanDerWaalsContact C-N 3.33Å; F10-I12 PolarHBondContact O-N 3.5Å; I12-R16 WeakPolarHBondContact O-CB 3.28Å; I12-R16 VanDerWaalsContact O-CG 3.27Å; I12-R16 WeakPolarHBondContact O-CG 3.36Å; I12-R16 PolarHBondContact O-N 2.84Å; I12-R16 VanDerWaalsContact O-N 3.07Å
13	I	58.2	Low	53.7	Low	95 Å²	95	95.9 Å²	95.9	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-72	-42.2	177.9	-67.6	168.4	0	0	0	110.3	G9 F10 D11 R16 I17	G9-I13 WeakPolarHBondContact O-CD1 3.28Å; G9-I13 WeakPolarHBondContact O-CG1 3.2Å; G9-I13 PolarHBondContact O-N 2.53Å; F10-I13 PolarHBondContact O-N 3.13Å; D11-I13 VanDerWaalsContact C-N 3.35Å; D11-I13 PolarHBondContact O-N 2.76Å; I13-R16 PolarHBondContact O-N 3.37Å; I13-I17 HydrophobicContact CG2-CD1 3.85Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.38Å; I13-I17 PolarHBondContact O-N 2.62Å
14	Q	55.7	Low	54.4	Low	94 Å²	94	96.6 Å²	96.6	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-58	-49.4	174.5	-170.3	79.5	14.5	0	0	110.9	F10 D11 R16 I17 E18	F10-Q14 WeakPolarHBondContact O-CB 3.3Å; F10-Q14 PolarHBondContact O-N 2.89Å; D11-Q14 PolarHBondContact O-N 3.25Å; Q14-R16 VanDerWaalsContact C-N 3.3Å; Q14-R16 PolarHBondContact O-N 2.91Å; Q14-I17 PolarHBondContact O-N 3.11Å; Q14-I17 VanDerWaalsContact O-N 3.11Å; Q14-E18 PolarHBondContact NE2-OE1 2.91Å; Q14-E18 WeakPolarHBondContact O-CG 3.43Å; Q14-E18 PolarHBondContact O-N 3.45Å
15	N	60.5	Low	55.1	Low	99 Å²	99	94 Å²	94	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-61	-36.1	176.6	-73	-27.2	0	0	0	112.7	D11 S19	D11-N15 VanDerWaalsContact O-CB 3.26Å; D11-N15 WeakPolarHBondContact O-CB 3.32Å; D11-N15 PolarHBondContact O-N 2.74Å; D11-N15 PolarHBondContact O-ND2 3.07Å; D11-N15 VanDerWaalsContact O-ND2 3.08Å; N15-S19 VanDerWaalsContact O-CB 3.24Å; N15-S19 WeakPolarHBondContact O-CB 3.27Å; N15-S19 PolarHBondContact O-N 3.32Å
16	R	59.4	Low	55.9	Low	185 Å²	185	95.6 Å²	95.6	70%	0.698	51%	0.506	S	S	*	.	H	α-helix	trans	-71	-36.5	175.1	-77.4	177.9	178.5	-149.5	0.6	112.4	I12 I13 Q14 L20	I12-R16 WeakPolarHBondContact O-CB 3.28Å; I12-R16 VanDerWaalsContact O-CG 3.27Å; I12-R16 WeakPolarHBondContact O-CG 3.36Å; I12-R16 PolarHBondContact O-N 2.84Å; I12-R16 VanDerWaalsContact O-N 3.07Å; I13-R16 PolarHBondContact O-N 3.37Å; Q14-R16 VanDerWaalsContact C-N 3.3Å; Q14-R16 PolarHBondContact O-N 2.91Å; R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.29Å; R16-L20 PolarHBondContact O-N 2.92Å
17	I	64.3	Low	56.3	Low	84 Å²	84	94 Å²	94	43%	0.431	49%	0.49	S	S	.	.	H	α-helix	trans	-68.2	-42.4	175.5	-70.2	168	0	0	0	110.3	I13 Q14 L20 S21	I13-I17 HydrophobicContact CG2-CD1 3.85Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.38Å; I13-I17 PolarHBondContact O-N 2.62Å; Q14-I17 PolarHBondContact O-N 3.11Å; Q14-I17 VanDerWaalsContact O-N 3.11Å; I17-L20 PolarHBondContact O-N 2.94Å; I17-S21 WeakPolarHBondContact O-CB 3.33Å; I17-S21 PolarHBondContact O-N 3.05Å
18	E	58.7	Low	57	Low	106 Å²	106	92.2 Å²	92.2	50%	0.495	48%	0.48	S	S	.	.	H	α-helix	trans	-66.3	-40.7	175.7	-73.3	173.2	-168.8	0	0	111.7	Q14 L20 S21 G22	Q14-E18 PolarHBondContact NE2-OE1 2.91Å; Q14-E18 WeakPolarHBondContact O-CG 3.43Å; Q14-E18 PolarHBondContact O-N 3.45Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 2.94Å; E18-S21 PolarHBondContact O-N 3.33Å; E18-G22 PolarHBondContact O-N 2.93Å
19	S	57.7	Low	57.4	Low	62 Å²	62	93.3 Å²	93.3	43%	0.434	48%	0.478	S	S	.	.	H	α-helix	trans	-62.3	-39.6	172.1	-173.8	0	0	0	0	112.5	N15 K23	N15-S19 VanDerWaalsContact O-CB 3.24Å; N15-S19 WeakPolarHBondContact O-CB 3.27Å; N15-S19 PolarHBondContact O-N 3.32Å; S19-K23 VanDerWaalsContact O-CG 3.32Å; S19-K23 WeakPolarHBondContact O-CG 3.48Å; S19-K23 PolarHBondContact O-N 2.63Å
20	L	57.6	Low	58	Low	101 Å²	101	95.9 Å²	95.9	53%	0.529	48%	0.482	S	S	.	.	H	α-helix	trans	-69.2	-41.2	176.9	-170.3	69.8	0	0	0	111.4	R16 I17 E18 K23 M24	R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.29Å; R16-L20 PolarHBondContact O-N 2.92Å; I17-L20 PolarHBondContact O-N 2.94Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 2.94Å; L20-K23 PolarHBondContact O-N 2.89Å; L20-M24 WeakPolarHBondContact O-CB 3.25Å; L20-M24 PolarHBondContact O-N 3.07Å
21	S	54.9	Low	57.7	Low	62 Å²	62	90.8 Å²	90.8	43%	0.434	46%	0.46	S	S	.	.	H	α-helix	trans	-58.8	-48.5	173.6	-167	0	0	0	0	110.6	I17 E18 K23 M24 D25	I17-S21 WeakPolarHBondContact O-CB 3.33Å; I17-S21 PolarHBondContact O-N 3.05Å; E18-S21 PolarHBondContact O-N 3.33Å; S21-K23 VanDerWaalsContact C-N 3.3Å; S21-K23 PolarHBondContact O-N 3.48Å; S21-M24 WeakPolarHBondContact O-CA 3.4Å; S21-M24 WeakPolarHBondContact O-CB 3.41Å; S21-M24 PolarHBondContact O-N 3.24Å; S21-D25 PolarHBondContact O-N 2.82Å
22	G	59.1	Low	57.9	Low	31 Å²	31	92 Å²	92	32%	0.32	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-32	177.8	0	0	0	0	0	113.8	E18 K26	E18-G22 PolarHBondContact O-N 2.93Å; G22-K26 WeakPolarHBondContact O-CG 3.32Å; G22-K26 PolarHBondContact O-N 3.38Å
23	K	58.1	Low	58	Low	137 Å²	137	93.8 Å²	93.8	60%	0.596	47%	0.467	S	S	*	.	H	α-helix	trans	-71.2	-34.7	171.7	-73.8	174.5	-176.6	179.7	0	112.2	S19 L20 S21 L27	S19-K23 VanDerWaalsContact O-CG 3.32Å; S19-K23 WeakPolarHBondContact O-CG 3.48Å; S19-K23 PolarHBondContact O-N 2.63Å; L20-K23 PolarHBondContact O-N 2.89Å; S21-K23 VanDerWaalsContact C-N 3.3Å; S21-K23 PolarHBondContact O-N 3.48Å; K23-L27 PolarHBondContact O-N 2.9Å; K23-L27 VanDerWaalsContact O-N 3.11Å
24	M	56.5	Low	57.8	Low	82 Å²	82	91 Å²	91	40%	0.404	45%	0.454	S	S	.	.	H	α-helix	trans	-70.6	-40.4	177	-163.7	163.9	-175.4	0	0	111.6	L20 S21 K26 L27 I28 C171 F175	L20-M24 WeakPolarHBondContact O-CB 3.25Å; L20-M24 PolarHBondContact O-N 3.07Å; S21-M24 WeakPolarHBondContact O-CA 3.4Å; S21-M24 WeakPolarHBondContact O-CB 3.41Å; S21-M24 PolarHBondContact O-N 3.24Å; M24-K26 VanDerWaalsContact C-N 3.34Å; M24-K26 PolarHBondContact O-N 2.81Å; M24-L27 WeakPolarHBondContact O-CB 3.43Å; M24-L27 PolarHBondContact O-N 2.91Å; M24-L27 VanDerWaalsContact O-N 3.1Å; M24-I28 WeakPolarHBondContact O-CG1 3.2Å; M24-I28 PolarHBondContact O-N 3.14Å; M24-C171 WeakPolarHBondContact CE-SG 3.25Å; M24-F175 HydrophobicContact CE-CE2 4.44Å
25	D	55.4	Low	57.8	Low	93 Å²	93	91 Å²	91	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-63.9	-38.9	174.6	-65.8	-34.8	0	0	0	111.7	S21 L27 I28 N29	S21-D25 PolarHBondContact O-N 2.82Å; D25-L27 VanDerWaalsContact C-N 3.3Å; D25-L27 PolarHBondContact O-N 3.38Å; D25-I28 PolarHBondContact O-N 2.84Å; D25-N29 WeakPolarHBondContact O-CB 3.26Å; D25-N29 PolarHBondContact O-N 3.4Å
26	K	62.1	Low	57.6	Low	151 Å²	151	90.2 Å²	90.2	66%	0.657	46%	0.459	S	S	*	.	H	α-helix	trans	-61.5	-39	170.9	-75.4	178	-178.1	-171.5	0	112.1	G22 M24 N29 I30	G22-K26 WeakPolarHBondContact O-CG 3.32Å; G22-K26 PolarHBondContact O-N 3.38Å; M24-K26 VanDerWaalsContact C-N 3.34Å; M24-K26 PolarHBondContact O-N 2.81Å; K26-N29 PolarHBondContact O-N 3.22Å; K26-I30 VanDerWaalsContact O-CG1 3.26Å; K26-I30 WeakPolarHBondContact O-CG1 3.21Å; K26-I30 PolarHBondContact O-N 3.3Å
27	L	55.4	Low	57.4	Low	54 Å²	54	90.7 Å²	90.7	28%	0.283	46%	0.461	S	S	.	.	H	α-helix	trans	-69.7	-38.5	179.7	-145.8	129.7	0	0	0	111.5	K23 M24 D25 I30 Q31 M114 I118	K23-L27 PolarHBondContact O-N 2.9Å; K23-L27 VanDerWaalsContact O-N 3.11Å; M24-L27 WeakPolarHBondContact O-CB 3.43Å; M24-L27 PolarHBondContact O-N 2.91Å; M24-L27 VanDerWaalsContact O-N 3.1Å; D25-L27 VanDerWaalsContact C-N 3.3Å; D25-L27 PolarHBondContact O-N 3.38Å; L27-I30 PolarHBondContact O-N 2.65Å; L27-Q31 WeakPolarHBondContact O-CG 3.48Å; L27-Q31 PolarHBondContact O-N 3.19Å; L27-M114 HydrophobicContact CD2-CE 4.05Å; L27-M114 HydrophobicContact CG-CE 4.44Å; L27-I118 HydrophobicContact CD2-CD1 4.19Å; L27-I118 HydrophobicContact CD2-CG1 4.22Å
28	I	61.9	Low	56.8	Low	72 Å²	72	89.5 Å²	89.5	37%	0.369	46%	0.455	S	S	.	.	H	α-helix	trans	-63.5	-44.1	172.9	-68	166.5	0	0	0	110.7	M24 D25 I30 Q31 E32	M24-I28 WeakPolarHBondContact O-CG1 3.2Å; M24-I28 PolarHBondContact O-N 3.14Å; D25-I28 PolarHBondContact O-N 2.84Å; I28-I30 PolarHBondContact O-N 3.38Å; I28-Q31 CarbonylContact O-C 3.53Å; I28-Q31 WeakPolarHBondContact O-CA 3.15Å; I28-Q31 WeakPolarHBondContact O-CB 3.28Å; I28-Q31 PolarHBondContact O-N 2.93Å; I28-Q31 VanDerWaalsContact O-N 3.1Å; I28-E32 PolarHBondContact O-N 2.73Å
29	N	59.8	Low	56.5	Low	79 Å²	79	89.8 Å²	89.8	42%	0.422	46%	0.46	S	S	.	.	H	α-helix	trans	-64.8	-38.7	177.8	-166.2	-36.4	0	0	0	112	D25 K26 Q31 E32 K33	D25-N29 WeakPolarHBondContact O-CB 3.26Å; D25-N29 PolarHBondContact O-N 3.4Å; K26-N29 PolarHBondContact O-N 3.22Å; N29-Q31 VanDerWaalsContact C-N 3.33Å; N29-E32 PolarHBondContact O-N 3.45Å; N29-K33 WeakPolarHBondContact O-CG 3.4Å; N29-K33 PolarHBondContact O-N 2.8Å; N29-K33 WeakPolarHBondContact OD1-CE 3.21Å
30	I	59.5	Low	56.4	Low	91 Å²	91	88.5 Å²	88.5	47%	0.467	46%	0.457	S	S	.	.	H	α-helix	trans	-62.8	-40.9	171.5	-68.7	164.9	0	0	0	110.7	K26 L27 I28 K33 V34 M114	K26-I30 VanDerWaalsContact O-CG1 3.26Å; K26-I30 WeakPolarHBondContact O-CG1 3.21Å; K26-I30 PolarHBondContact O-N 3.3Å; L27-I30 PolarHBondContact O-N 2.65Å; I28-I30 PolarHBondContact O-N 3.38Å; I30-K33 PolarHBondContact O-N 3.42Å; I30-V34 VanDerWaalsContact O-CG2 3.32Å; I30-V34 WeakPolarHBondContact O-CG2 3.3Å; I30-V34 PolarHBondContact O-N 3.33Å; I30-M114 HydrophobicContact CG2-CE 4.34Å
31	Q	47.2	Very low	56.2	Low	41 Å²	41	85.5 Å²	85.5	19%	0.192	44%	0.44	C	S	.	.	H	α-helix	trans	-64.3	-42.5	175.8	-74.4	-177.7	-36.6	0	0	112.7	L27 I28 N29 K33 V34 L35 M114	L27-Q31 WeakPolarHBondContact O-CG 3.48Å; L27-Q31 PolarHBondContact O-N 3.19Å; I28-Q31 CarbonylContact O-C 3.53Å; I28-Q31 WeakPolarHBondContact O-CA 3.15Å; I28-Q31 WeakPolarHBondContact O-CB 3.28Å; I28-Q31 PolarHBondContact O-N 2.93Å; I28-Q31 VanDerWaalsContact O-N 3.1Å; N29-Q31 VanDerWaalsContact C-N 3.33Å; Q31-K33 VanDerWaalsContact C-N 3.32Å; Q31-K33 PolarHBondContact O-N 2.92Å; Q31-V34 PolarHBondContact O-N 2.92Å; Q31-L35 WeakPolarHBondContact O-CG 3.39Å; Q31-L35 PolarHBondContact O-N 3.28Å; Q31-M114 HydrophobicContact CG-CE 3.39Å
32	E	57.8	Low	56	Low	120 Å²	120	83.8 Å²	83.8	56%	0.561	43%	0.428	S	S	*	.	H	α-helix	trans	-62.6	-38.8	175.3	-74.5	177.3	171.5	0	0	111.8	I28 N29 L35 S36	I28-E32 PolarHBondContact O-N 2.73Å; N29-E32 PolarHBondContact O-N 3.45Å; E32-L35 PolarHBondContact O-N 3.23Å; E32-S36 WeakPolarHBondContact O-CB 3.33Å; E32-S36 PolarHBondContact O-N 3.46Å
33	K	57.5	Low	55.9	Low	131 Å²	131	87.7 Å²	87.7	57%	0.57	44%	0.438	S	S	*	.	H	α-helix	trans	-65.6	-37.7	173.9	-74.7	177.7	179.7	-177.4	0	113	N29 I30 Q31 R37	N29-K33 WeakPolarHBondContact O-CG 3.4Å; N29-K33 PolarHBondContact O-N 2.8Å; N29-K33 WeakPolarHBondContact OD1-CE 3.21Å; I30-K33 PolarHBondContact O-N 3.42Å; Q31-K33 VanDerWaalsContact C-N 3.32Å; Q31-K33 PolarHBondContact O-N 2.92Å; K33-R37 WeakPolarHBondContact O-CG 3.32Å; K33-R37 PolarHBondContact O-N 2.81Å; K33-R37 VanDerWaalsContact O-N 3.1Å
34	V	54.8	Low	55.7	Low	35 Å²	35	86 Å²	86	21%	0.212	43%	0.433	C	S	.	.	H	α-helix	trans	-69.6	-40.7	176.2	171.8	0	0	0	0	110.8	I30 Q31 R37 L38	I30-V34 VanDerWaalsContact O-CG2 3.32Å; I30-V34 WeakPolarHBondContact O-CG2 3.3Å; I30-V34 PolarHBondContact O-N 3.33Å; Q31-V34 PolarHBondContact O-N 2.92Å; V34-R37 PolarHBondContact O-N 3.48Å; V34-L38 HydrophobicContact CG1-CD1 4.18Å; V34-L38 PolarHBondContact O-N 2.88Å
35	L	54.7	Low	55.7	Low	96 Å²	96	84.7 Å²	84.7	50%	0.503	43%	0.426	S	S	.	.	H	α-helix	trans	-64.4	-45.1	175	-74.1	168.3	0	0	0	111.8	Q31 E32 R37 L38 D39	Q31-L35 WeakPolarHBondContact O-CG 3.39Å; Q31-L35 PolarHBondContact O-N 3.28Å; E32-L35 PolarHBondContact O-N 3.23Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 2.98Å; L35-L38 WeakPolarHBondContact O-CB 3.29Å; L35-L38 PolarHBondContact O-N 3.45Å; L35-L38 VanDerWaalsContact O-N 3.09Å; L35-D39 PolarHBondContact O-N 2.92Å
36	S	56.9	Low	55.6	Low	81 Å²	81	83.8 Å²	83.8	57%	0.566	42%	0.421	S	S	*	.	H	α-helix	trans	-61.4	-34.7	175.7	173.2	0	0	0	0	112.8	E32 G40	E32-S36 WeakPolarHBondContact O-CB 3.33Å; E32-S36 PolarHBondContact O-N 3.46Å; S36-G40 PolarHBondContact O-N 2.98Å; S36-G40 VanDerWaalsContact O-N 3.08Å
37	R	54.9	Low	55.3	Low	195 Å²	195	80 Å²	80	74%	0.736	41%	0.408	S	S	*	.	H	α-helix	trans	-71.6	-36.1	173.1	-77.9	-175.5	173.9	-175.2	-1.9	112.8	K33 V34 L35 G40 M41	K33-R37 WeakPolarHBondContact O-CG 3.32Å; K33-R37 PolarHBondContact O-N 2.81Å; K33-R37 VanDerWaalsContact O-N 3.1Å; V34-R37 PolarHBondContact O-N 3.48Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 2.98Å; R37-G40 PolarHBondContact O-N 3.46Å; R37-M41 WeakPolarHBondContact O-CG 3.3Å; R37-M41 PolarHBondContact O-N 3.24Å
38	L	51.5	Low	55.4	Low	59 Å²	59	81.7 Å²	81.7	31%	0.309	42%	0.417	S	S	.	.	H	α-helix	trans	-65	-42.4	173.8	-84.4	162.6	0	0	0	111.7	V34 L35 M41 S42 M107	V34-L38 HydrophobicContact CG1-CD1 4.18Å; V34-L38 PolarHBondContact O-N 2.88Å; L35-L38 WeakPolarHBondContact O-CB 3.29Å; L35-L38 PolarHBondContact O-N 3.45Å; L35-L38 VanDerWaalsContact O-N 3.09Å; L38-M41 PolarHBondContact O-N 3.4Å; L38-S42 PolarHBondContact O-N 3.46Å; L38-M107 HydrophobicContact CD1-CE 4.26Å; L38-M107 HydrophobicContact CD2-CE 3.19Å; L38-M107 HydrophobicContact CG-CE 3.45Å; L38-M107 VanDerWaalsContact CG-CE 3.45Å
39	D	52.8	Low	54.9	Low	113 Å²	113	81.4 Å²	81.4	60%	0.604	41%	0.414	S	S	*	.	H	α-helix	trans	-63.7	-42.1	175.7	-71.2	-19.8	0	0	0	111.1	L35 M41 S42 Q43	L35-D39 PolarHBondContact O-N 2.92Å; D39-M41 PolarHBondContact O-N 2.85Å; D39-S42 WeakPolarHBondContact O-CB 3.29Å; D39-S42 PolarHBondContact O-N 3.44Å; D39-Q43 PolarHBondContact O-N 2.83Å
40	G	56.2	Low	54.7	Low	35 Å²	35	83.3 Å²	83.3	36%	0.361	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-41.5	174.2	0	0	0	0	0	113.1	S36 R37 Q43 E44	S36-G40 PolarHBondContact O-N 2.98Å; S36-G40 VanDerWaalsContact O-N 3.08Å; R37-G40 PolarHBondContact O-N 3.46Å; G40-Q43 WeakPolarHBondContact O-CB 3.31Å; G40-Q43 PolarHBondContact O-N 2.84Å; G40-E44 WeakPolarHBondContact O-CG 3.47Å; G40-E44 PolarHBondContact O-N 2.78Å
41	M	52.6	Low	54.3	Low	38 Å²	38	83.8 Å²	83.8	19%	0.187	42%	0.424	C	S	.	.	H	α-helix	trans	-70.7	-30.5	175.4	-70.5	178.9	67.9	0	0	112.9	R37 L38 D39 Q43 E44 I45 Q100 M107	R37-M41 WeakPolarHBondContact O-CG 3.3Å; R37-M41 PolarHBondContact O-N 3.24Å; L38-M41 PolarHBondContact O-N 3.4Å; D39-M41 PolarHBondContact O-N 2.85Å; M41-Q43 VanDerWaalsContact C-N 3.34Å; M41-E44 PolarHBondContact O-N 3.34Å; M41-I45 VanDerWaalsContact O-CG1 3.26Å; M41-I45 WeakPolarHBondContact O-CG1 3.4Å; M41-I45 PolarHBondContact O-N 3.09Å; M41-Q100 VanDerWaalsContact CE-OE1 3.23Å; M41-M107 HydrophobicContact SD-CE 4.23Å; M41-M107 HydrophobicContact SD-SD 4.29Å
42	S	50.6	Low	54.4	Low	25 Å²	25	86.4 Å²	86.4	18%	0.175	44%	0.437	C	S	.	.	H	α-helix	trans	-64	-42.6	171.9	-168.2	0	0	0	0	110.8	L38 D39 I45 D46 Y189	L38-S42 PolarHBondContact O-N 3.46Å; D39-S42 WeakPolarHBondContact O-CB 3.29Å; D39-S42 PolarHBondContact O-N 3.44Å; S42-I45 PolarHBondContact O-N 2.83Å; S42-D46 VanDerWaalsContact O-CG 3.31Å; S42-D46 PolarHBondContact O-N 3Å; S42-Y189 PolarHBondContact OG-OH 3Å
43	Q	58.5	Low	54	Low	113 Å²	113	85.6 Å²	85.6	53%	0.528	43%	0.433	S	S	.	.	H	α-helix	trans	-61.7	-43.2	175.5	-163.9	70.4	49.9	0	0	111.3	D39 G40 M41 I45 D46 D47	D39-Q43 PolarHBondContact O-N 2.83Å; G40-Q43 WeakPolarHBondContact O-CB 3.31Å; G40-Q43 PolarHBondContact O-N 2.84Å; M41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-I45 VanDerWaalsContact C-N 3.3Å; Q43-I45 PolarHBondContact O-N 2.88Å; Q43-D46 PolarHBondContact O-N 2.85Å; Q43-D47 PolarHBondContact O-N 3.28Å
44	E	54	Low	53.6	Low	103 Å²	103	85 Å²	85	48%	0.481	43%	0.432	S	S	.	.	H	α-helix	trans	-63.7	-33.3	174.9	-71.7	175.4	-166.5	0	0	112.7	G40 M41 I48	G40-E44 WeakPolarHBondContact O-CG 3.47Å; G40-E44 PolarHBondContact O-N 2.78Å; M41-E44 PolarHBondContact O-N 3.34Å; E44-I48 WeakPolarHBondContact O-CD1 3.46Å; E44-I48 WeakPolarHBondContact O-CG1 3.5Å; E44-I48 PolarHBondContact O-N 3.23Å
45	I	56.1	Low	53.1	Low	54 Å²	54	89.1 Å²	89.1	28%	0.277	45%	0.452	S	S	.	.	H	α-helix	trans	-70.2	-40.1	174.4	-70.9	166	0	0	0	110.7	M41 S42 Q43 D47 I48 E49	M41-I45 VanDerWaalsContact O-CG1 3.26Å; M41-I45 WeakPolarHBondContact O-CG1 3.4Å; M41-I45 PolarHBondContact O-N 3.09Å; S42-I45 PolarHBondContact O-N 2.83Å; Q43-I45 VanDerWaalsContact C-N 3.3Å; Q43-I45 PolarHBondContact O-N 2.88Å; I45-D47 VanDerWaalsContact C-N 3.35Å; I45-I48 PolarHBondContact O-N 3.42Å; I45-E49 PolarHBondContact O-N 2.88Å
46	D	53.3	Low	52.5	Low	73 Å²	73	90.3 Å²	90.3	39%	0.39	45%	0.454	S	S	.	.	H	α-helix	trans	-65.6	-38.9	175.9	-67.7	-24.8	0	0	0	111	S42 Q43 E49 Q50	S42-D46 VanDerWaalsContact O-CG 3.31Å; S42-D46 PolarHBondContact O-N 3Å; Q43-D46 PolarHBondContact O-N 2.85Å; D46-E49 PolarHBondContact O-N 3.44Å; D46-Q50 WeakPolarHBondContact O-CB 3.26Å; D46-Q50 PolarHBondContact O-N 3.28Å
47	D	56.1	Low	51.7	Low	72 Å²	72	91.2 Å²	91.2	39%	0.385	46%	0.455	S	S	.	.	H	α-helix	trans	-64.4	-40.2	174.3	-65.4	-18.7	0	0	0	111.2	Q43 I45 Q50 D51	Q43-D47 PolarHBondContact O-N 3.28Å; I45-D47 VanDerWaalsContact C-N 3.35Å; D47-Q50 PolarHBondContact O-N 3.46Å; D47-D51 PolarHBondContact O-N 2.88Å
48	I	55.9	Low	50.9	Low	90 Å²	90	88.4 Å²	88.4	46%	0.462	46%	0.455	S	S	.	.	H	α-helix	trans	-66.2	-37	173.4	-69.2	163.6	0	0	0	111.6	E44 I45 Q50 M52	E44-I48 WeakPolarHBondContact O-CD1 3.46Å; E44-I48 WeakPolarHBondContact O-CG1 3.5Å; E44-I48 PolarHBondContact O-N 3.23Å; I45-I48 PolarHBondContact O-N 3.42Å; I48-Q50 VanDerWaalsContact C-N 3.34Å; I48-M52 WeakPolarHBondContact O-CB 3.34Å; I48-M52 PolarHBondContact O-N 3.14Å
49	E	51.4	Low	50.3	Low	66 Å²	66	94 Å²	94	31%	0.308	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-40.5	173	-76.7	-167.5	163.5	0	0	111.2	I45 D46 M52 E53 K196	I45-E49 PolarHBondContact O-N 2.88Å; D46-E49 PolarHBondContact O-N 3.44Å; E49-M52 WeakPolarHBondContact O-CB 3.36Å; E49-M52 PolarHBondContact O-N 3.48Å; E49-E53 PolarHBondContact O-N 2.88Å; E49-K196 IonicContact OE1-NZ 3.03Å; E49-K196 PolarHBondContact OE1-NZ 2.86Å
50	Q	55.9	Low	49.5	Very low	118 Å²	118	97.4 Å²	97.4	55%	0.551	49%	0.489	S	S	*	.	H	α-helix	trans	-65.8	-43.6	177.2	-167.7	170	-0.6	0	0	112	D46 D47 I48 M52 E53 Q54	D46-Q50 WeakPolarHBondContact O-CB 3.26Å; D46-Q50 PolarHBondContact O-N 3.28Å; D47-Q50 PolarHBondContact O-N 3.46Å; I48-Q50 VanDerWaalsContact C-N 3.34Å; Q50-M52 VanDerWaalsContact C-N 3.31Å; Q50-M52 PolarHBondContact O-N 3.36Å; Q50-E53 PolarHBondContact O-N 2.92Å; Q50-E53 VanDerWaalsContact O-N 3.17Å; Q50-Q54 PolarHBondContact O-N 2.77Å
51	D	52.4	Low	48.6	Very low	101 Å²	101	104.7 Å²	104.7	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-61.2	-38.4	173.8	-75	-16.2	0	0	0	111.9	D47 Q54 I55	D47-D51 PolarHBondContact O-N 2.88Å; D51-Q54 PolarHBondContact O-N 3.08Å; D51-I55 WeakPolarHBondContact O-CD1 3.28Å; D51-I55 VanDerWaalsContact O-CG1 3.26Å; D51-I55 WeakPolarHBondContact O-CG1 3.34Å; D51-I55 PolarHBondContact O-N 2.54Å; D51-I55 VanDerWaalsContact O-N 3.16Å
52	M	48.5	Very low	47.8	Very low	96 Å²	96	109.6 Å²	109.6	47%	0.473	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-34	175	-109.3	-172.5	65.9	0	0	113.3	I48 E49 Q50	I48-M52 WeakPolarHBondContact O-CB 3.34Å; I48-M52 PolarHBondContact O-N 3.14Å; E49-M52 WeakPolarHBondContact O-CB 3.36Å; E49-M52 PolarHBondContact O-N 3.48Å; Q50-M52 VanDerWaalsContact C-N 3.31Å; Q50-M52 PolarHBondContact O-N 3.36Å
53	E	49.9	Very low	47.1	Very low	103 Å²	103	117.1 Å²	117.1	48%	0.481	57%	0.571	S	S	.	*	H	α-helix	trans	-76.7	-35.9	176.8	-133.5	73.2	-126.3	0	0	110.9	E49 Q50 I55 K56 V57	E49-E53 PolarHBondContact O-N 2.88Å; Q50-E53 PolarHBondContact O-N 2.92Å; Q50-E53 VanDerWaalsContact O-N 3.17Å; E53-I55 VanDerWaalsContact C-N 3.32Å; E53-I55 PolarHBondContact O-N 2.74Å; E53-K56 WeakPolarHBondContact O-CB 3.34Å; E53-K56 PolarHBondContact O-N 3.4Å; E53-K56 VanDerWaalsContact O-N 3.12Å; E53-K56 IonicContact OE1-NZ 2.87Å; E53-K56 PolarHBondContact OE1-NZ 2.9Å; E53-V57 WeakPolarHBondContact O-CG2 3.16Å; E53-V57 PolarHBondContact O-N 2.72Å
54	Q	47.9	Very low	45.7	Very low	118 Å²	118	120.7 Å²	120.7	55%	0.551	59%	0.585	S	S	*	*	H	α-helix	trans	-60.2	-41.3	174.1	-140.9	76.9	38.3	0	0	111.6	Q50 D51 K56 V57	Q50-Q54 PolarHBondContact O-N 2.77Å; D51-Q54 PolarHBondContact O-N 3.08Å; Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 2.89Å; Q54-V57 PolarHBondContact O-N 3.36Å
55	I	45.9	Very low	44.5	Very low	123 Å²	123	120.7 Å²	120.7	63%	0.631	60%	0.597	S	S	*	*	H	α-helix	trans	-69.3	-21.6	177.3	-66.5	164.9	0	0	0	112.7	D51 E53	D51-I55 WeakPolarHBondContact O-CD1 3.28Å; D51-I55 VanDerWaalsContact O-CG1 3.26Å; D51-I55 WeakPolarHBondContact O-CG1 3.34Å; D51-I55 PolarHBondContact O-N 2.54Å; D51-I55 VanDerWaalsContact O-N 3.16Å; E53-I55 VanDerWaalsContact C-N 3.32Å; E53-I55 PolarHBondContact O-N 2.74Å
56	K	41.7	Very low	43.6	Very low	121 Å²	121	123.4 Å²	123.4	53%	0.526	62%	0.618	S	S	.	*	H	α-helix	trans	-78.7	-27.4	172.6	-83.4	-178.9	-167.7	159.3	0	113.3	E53 Q54 D58	E53-K56 WeakPolarHBondContact O-CB 3.34Å; E53-K56 PolarHBondContact O-N 3.4Å; E53-K56 VanDerWaalsContact O-N 3.12Å; E53-K56 IonicContact OE1-NZ 2.87Å; E53-K56 PolarHBondContact OE1-NZ 2.9Å; Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 2.89Å; K56-D58 VanDerWaalsContact C-N 3.3Å
57	V	39.5	Very low	42.5	Very low	100 Å²	100	131.5 Å²	131.5	61%	0.606	64%	0.643	S	S	*	*	H	α-helix	trans	-73.3	-24.4	-175.6	175.6	0	0	0	0	111.6	E53 Q54 K59	E53-V57 WeakPolarHBondContact O-CG2 3.16Å; E53-V57 PolarHBondContact O-N 2.72Å; Q54-V57 PolarHBondContact O-N 3.36Å; V57-K59 PolarHBondContact O-N 3.42Å
58	D	37.8	Very low	41.4	Very low	136 Å²	136	134 Å²	134	73%	0.727	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	8.8	177	-68.1	-21.5	0	0	0	114.6	K56	K56-D58 VanDerWaalsContact C-N 3.3Å
59	K	39.2	Very low	40.8	Very low	175 Å²	175	135.5 Å²	135.5	76%	0.761	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-6.4	177.2	-92.4	-176.4	174.6	177.7	0	115.4	V57	V57-K59 PolarHBondContact O-N 3.42Å
60	E	36.1	Very low	40.2	Very low	185 Å²	185	139.1 Å²	139.1	86%	0.864	70%	0.695	S	S	*	*	S	Bend	trans	-92.7	-4.8	-173.5	-75.1	-164.1	159.5	0	0	116.3
61	E	38.1	Very low	39.3	Very low	188 Å²	188	141.2 Å²	141.2	88%	0.879	71%	0.705	S	S	*	*			trans	-120.1	61.7	176.3	-77.5	-162	157.4	0	0	114.2
62	I	35.4	Very low	38.7	Very low	142 Å²	142	143.3 Å²	143.3	73%	0.728	72%	0.722	S	S	*	*			trans	-138.6	88	154	-51.9	179.5	0	0	0	109.6	F64	I62-F64 HydrophobicContact CG2-CD2 3.62Å; I62-F64 HydrophobicContact CG2-CE2 3.65Å
63	H	35.9	Very low	38.5	Very low	183 Å²	183	147.4 Å²	147.4	85%	0.847	74%	0.74	S	S	*	*			trans	-91.3	119	171.8	-153	-27.8	0	0	0	109
64	F	29.2	Very low	38.2	Very low	187 Å²	187	146.4 Å²	146.4	82%	0.82	74%	0.74	S	S	*	*			trans	-126.7	123.9	163.3	-78.8	-73.6	0	0	0	112.2	I62	I62-F64 HydrophobicContact CG2-CD2 3.62Å; I62-F64 HydrophobicContact CG2-CE2 3.65Å
65	S	27.8	Very low	37.9	Very low	103 Å²	103	147.5 Å²	147.5	72%	0.72	75%	0.747	S	S	*	*			trans	-73	148.3	174.4	177	0	0	0	0	111.1	R67	S65-R67 PolarHBondContact O-N 2.73Å
66	P	37.7	Very low	38	Very low	112 Å²	112	143 Å²	143	73%	0.727	73%	0.731	S	S	*	*			trans	-89.2	112.8	-176	32.9	-28.1	0	0	0	110.8
67	R	31.2	Very low	38.3	Very low	242 Å²	242	146.9 Å²	146.9	91%	0.913	74%	0.742	S	S	*	*			trans	-165.6	126.7	151	-114.6	167.4	-169.5	-159.3	2.4	114.8	S65	S65-R67 PolarHBondContact O-N 2.73Å
68	V	32.6	Very low	38.8	Very low	125 Å²	125	147.8 Å²	147.8	76%	0.758	74%	0.74	S	S	*	*			trans	84.4	89.9	153.1	-161.6	0	0	0	0	118.8
69	V	42.3	Very low	39.4	Very low	122 Å²	122	145.2 Å²	145.2	74%	0.739	73%	0.729	S	S	*	*				33.9	127.1	117.1	-174.7	0	0	0	0	118.9
70	N	39.9	Very low	39.8	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	72%	0.722	S	S	*	*			trans	92.9	82.3	166.9	-66	-15	0	0	0	117.9
71	Q	36.8	Very low	40.4	Very low	161 Å²	161	140.6 Å²	140.6	75%	0.752	70%	0.703	S	S	*	*			trans	-168.5	81.6	141.7	-107.2	170.1	27.2	0	0	111	Q73	Q71-Q73 VanDerWaalsContact C-N 3.31Å; Q71-Q73 PolarHBondContact O-N 2.76Å
72	T	38.9	Very low	41	Very low	146 Å²	146	136.6 Å²	136.6	90%	0.896	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	43.3	-176.4	7	0	0	0	0	114
73	Q	44.8	Very low	41.6	Very low	181 Å²	181	132.7 Å²	132.7	85%	0.846	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.7	-10.6	170.4	-114.1	178.8	2.9	0	0	115.8	Q71	Q71-Q73 VanDerWaalsContact C-N 3.31Å; Q71-Q73 PolarHBondContact O-N 2.76Å
74	V	44.5	Very low	42.2	Very low	82 Å²	82	130.8 Å²	130.8	50%	0.497	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.3	-33.8	-178.5	-174.6	0	0	0	0	112.4	G76 R77	V74-G76 PolarHBondContact O-N 2.87Å; V74-G76 VanDerWaalsContact O-N 3.1Å; V74-R77 PolarHBondContact O-N 2.94Å
75	M	41.3	Very low	43.3	Very low	142 Å²	142	126.7 Å²	126.7	70%	0.7	64%	0.644	S	S	*	*	H	α-helix	trans	-65.6	-15.8	-179.3	-83.8	-173	54.6	0	0	115.7	V79	M75-V79 WeakPolarHBondContact O-CG2 3.05Å
76	G	46.7	Very low	44.3	Very low	28 Å²	28	127.1 Å²	127.1	29%	0.289	64%	0.636	S	S	.	*	H	α-helix	trans	-81.1	-25.6	-179.6	0	0	0	0	0	113.9	V74 R80	V74-G76 PolarHBondContact O-N 2.87Å; V74-G76 VanDerWaalsContact O-N 3.1Å; G76-R80 WeakPolarHBondContact O-CB 3.28Å; G76-R80 WeakPolarHBondContact O-CG 3.24Å; G76-R80 VanDerWaalsContact O-CZ 3.29Å; G76-R80 PolarHBondContact O-NE 2.78Å; G76-R80 PolarHBondContact O-NH2 2.8Å
77	R	49.4	Very low	44.7	Very low	202 Å²	202	123.8 Å²	123.8	76%	0.762	62%	0.615	S	S	*	*	H	α-helix	trans	-84.5	-41.7	-177.1	-73.8	-168.6	-169.4	-172.4	4.2	111.9	V74 R80 Q81	V74-R77 PolarHBondContact O-N 2.94Å; R77-R80 PolarHBondContact O-N 3.4Å; R77-Q81 VanDerWaalsContact O-CB 3.3Å; R77-Q81 WeakPolarHBondContact O-CB 3.27Å; R77-Q81 PolarHBondContact O-N 2.88Å
78	E	50	Low	45.7	Very low	119 Å²	119	116.2 Å²	116.2	56%	0.556	60%	0.596	S	S	*	*	H	α-helix	trans	-66.5	-45.5	-178.7	-70.2	166.9	166.1	0	0	111.7	R80 Q81 I82	E78-R80 VanDerWaalsContact C-N 3.34Å; E78-R80 PolarHBondContact O-N 3.49Å; E78-Q81 PolarHBondContact O-N 2.81Å; E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.3Å; E78-I82 PolarHBondContact O-N 3.45Å
79	V	49.9	Very low	46.8	Very low	82 Å²	82	115.1 Å²	115.1	50%	0.497	59%	0.585	S	S	.	*	H	α-helix	trans	-65.1	-38.7	177	179.7	0	0	0	0	111.4	M75 Q81 I82 C83	M75-V79 WeakPolarHBondContact O-CG2 3.05Å; V79-Q81 VanDerWaalsContact C-N 3.33Å; V79-Q81 PolarHBondContact O-N 2.66Å; V79-I82 PolarHBondContact O-N 3.45Å; V79-C83 WeakPolarHBondContact O-CB 3.32Å; V79-C83 PolarHBondContact O-N 3.08Å; V79-C83 PolarHBondContact O-SG 3.36Å
80	R	46.8	Very low	47.2	Very low	164 Å²	164	112.1 Å²	112.1	62%	0.619	56%	0.564	S	S	*	*	H	α-helix	trans	-67.8	-32.9	174.8	-82.6	-175.5	-79.3	-125.2	-1.4	112.9	G76 R77 E78 K84	G76-R80 WeakPolarHBondContact O-CB 3.28Å; G76-R80 WeakPolarHBondContact O-CG 3.24Å; G76-R80 VanDerWaalsContact O-CZ 3.29Å; G76-R80 PolarHBondContact O-NE 2.78Å; G76-R80 PolarHBondContact O-NH2 2.8Å; R77-R80 PolarHBondContact O-N 3.4Å; E78-R80 VanDerWaalsContact C-N 3.34Å; E78-R80 PolarHBondContact O-N 3.49Å; R80-K84 WeakPolarHBondContact O-CB 3.42Å; R80-K84 PolarHBondContact O-N 2.94Å
81	Q	48.3	Very low	47.6	Very low	99 Å²	99	108.4 Å²	108.4	46%	0.463	55%	0.549	S	S	.	.	H	α-helix	trans	-70.6	-45	176.9	-172.5	61.4	25.8	0	0	110.7	R77 E78 V79 C83 K84 E85	R77-Q81 VanDerWaalsContact O-CB 3.3Å; R77-Q81 WeakPolarHBondContact O-CB 3.27Å; R77-Q81 PolarHBondContact O-N 2.88Å; E78-Q81 PolarHBondContact O-N 2.81Å; V79-Q81 VanDerWaalsContact C-N 3.33Å; V79-Q81 PolarHBondContact O-N 2.66Å; Q81-C83 PolarHBondContact O-N 2.64Å; Q81-K84 PolarHBondContact O-N 2.9Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.35Å; Q81-E85 PolarHBondContact NE2-OE1 2.85Å; Q81-E85 WeakPolarHBondContact O-CG 3.18Å; Q81-E85 PolarHBondContact O-N 3.32Å
82	I	52.6	Low	48.5	Very low	105 Å²	105	103.4 Å²	103.4	54%	0.538	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-42.2	175.4	-66.3	165.4	0	0	0	111	E78 V79 K84 E85 M86	E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.3Å; E78-I82 PolarHBondContact O-N 3.45Å; V79-I82 PolarHBondContact O-N 3.45Å; I82-K84 PolarHBondContact O-N 2.85Å; I82-E85 PolarHBondContact O-N 2.8Å; I82-M86 VanDerWaalsContact O-CB 3.27Å; I82-M86 WeakPolarHBondContact O-CB 3.23Å; I82-M86 PolarHBondContact O-N 3.27Å
83	C	46.6	Very low	49.1	Very low	60 Å²	60	99.5 Å²	99.5	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-64.5	-37.4	174.5	-72.8	0	0	0	0	112.4	V79 Q81 S87	V79-C83 WeakPolarHBondContact O-CB 3.32Å; V79-C83 PolarHBondContact O-N 3.08Å; V79-C83 PolarHBondContact O-SG 3.36Å; Q81-C83 PolarHBondContact O-N 2.64Å; C83-S87 VanDerWaalsContact O-CB 3.26Å; C83-S87 WeakPolarHBondContact O-CB 3.39Å; C83-S87 PolarHBondContact O-N 2.97Å
84	K	48.4	Very low	49.4	Very low	143 Å²	143	93.3 Å²	93.3	62%	0.622	48%	0.478	S	S	*	.	H	α-helix	trans	-66.6	-42.2	174.8	-89.7	-177.3	174.1	-177.4	0	112.5	R80 Q81 I82 S87 T88	R80-K84 WeakPolarHBondContact O-CB 3.42Å; R80-K84 PolarHBondContact O-N 2.94Å; Q81-K84 PolarHBondContact O-N 2.9Å; I82-K84 PolarHBondContact O-N 2.85Å; K84-S87 PolarHBondContact O-N 2.82Å; K84-T88 WeakPolarHBondContact O-CB 3.36Å; K84-T88 PolarHBondContact O-N 2.83Å; K84-T88 PolarHBondContact O-OG1 3.09Å
85	E	53.4	Low	50	Low	101 Å²	101	94.8 Å²	94.8	47%	0.472	48%	0.479	S	S	.	.	H	α-helix	trans	-66.3	-43.8	177	-74.5	170.9	-162.6	0	0	110.8	Q81 I82 S87 T88 I89	Q81-E85 WeakPolarHBondContact CG-OE1 3.35Å; Q81-E85 PolarHBondContact NE2-OE1 2.85Å; Q81-E85 WeakPolarHBondContact O-CG 3.18Å; Q81-E85 PolarHBondContact O-N 3.32Å; I82-E85 PolarHBondContact O-N 2.8Å; E85-S87 PolarHBondContact O-N 2.83Å; E85-T88 PolarHBondContact O-N 3.21Å; E85-I89 VanDerWaalsContact O-CG1 3.27Å; E85-I89 WeakPolarHBondContact O-CG1 3.38Å; E85-I89 PolarHBondContact O-N 3Å
86	M	48.8	Very low	50.8	Low	111 Å²	111	96 Å²	96	55%	0.547	48%	0.476	S	S	.	.	H	α-helix	trans	-60.2	-45.9	174.2	-167.2	82.5	95.5	0	0	111.4	I82 T88 I89 M90	I82-M86 VanDerWaalsContact O-CB 3.27Å; I82-M86 WeakPolarHBondContact O-CB 3.23Å; I82-M86 PolarHBondContact O-N 3.27Å; M86-T88 VanDerWaalsContact C-N 3.32Å; M86-T88 PolarHBondContact O-N 3.26Å; M86-I89 PolarHBondContact O-N 3.37Å; M86-M90 WeakPolarHBondContact O-CB 3.08Å; M86-M90 PolarHBondContact O-N 3Å
87	S	45.2	Very low	51	Low	42 Å²	42	96.2 Å²	96.2	29%	0.294	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-35.1	179.3	-152	0	0	0	0	112	C83 K84 E85 S91	C83-S87 VanDerWaalsContact O-CB 3.26Å; C83-S87 WeakPolarHBondContact O-CB 3.39Å; C83-S87 PolarHBondContact O-N 2.97Å; K84-S87 PolarHBondContact O-N 2.82Å; E85-S87 PolarHBondContact O-N 2.83Å; S87-S91 WeakPolarHBondContact O-CB 3.43Å; S87-S91 PolarHBondContact O-N 2.81Å
88	T	53.1	Low	51.3	Low	84 Å²	84	91.5 Å²	91.5	52%	0.515	46%	0.46	S	S	.	.	H	α-helix	trans	-65.9	-49.4	174.6	-56.1	0	0	0	0	110.9	K84 E85 M86 M90 S91 V92	K84-T88 WeakPolarHBondContact O-CB 3.36Å; K84-T88 PolarHBondContact O-N 2.83Å; K84-T88 PolarHBondContact O-OG1 3.09Å; E85-T88 PolarHBondContact O-N 3.21Å; M86-T88 VanDerWaalsContact C-N 3.32Å; M86-T88 PolarHBondContact O-N 3.26Å; T88-M90 VanDerWaalsContact C-N 3.34Å; T88-M90 PolarHBondContact O-N 3.02Å; T88-S91 PolarHBondContact O-N 3.35Å; T88-S91 PolarHBondContact O-OG 2.86Å; T88-V92 WeakPolarHBondContact O-CG2 3.43Å; T88-V92 PolarHBondContact O-N 3.33Å
89	I	55.2	Low	51.7	Low	101 Å²	101	90.4 Å²	90.4	52%	0.518	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-42.9	177.2	-66.6	166	0	0	0	110.5	E85 M86 S91 V92 V93	E85-I89 VanDerWaalsContact O-CG1 3.27Å; E85-I89 WeakPolarHBondContact O-CG1 3.38Å; E85-I89 PolarHBondContact O-N 3Å; M86-I89 PolarHBondContact O-N 3.37Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 3.28Å; I89-V92 PolarHBondContact O-N 3.46Å; I89-V93 HydrophobicContact CG2-CG2 4.38Å; I89-V93 WeakPolarHBondContact O-CG2 3.31Å; I89-V93 PolarHBondContact O-N 2.73Å
90	M	50.6	Low	51.7	Low	59 Å²	59	89 Å²	89	29%	0.291	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-37.5	176.9	-155.1	83.5	155.6	0	0	111.6	M86 T88 N94 I200 L203	M86-M90 WeakPolarHBondContact O-CB 3.08Å; M86-M90 PolarHBondContact O-N 3Å; T88-M90 VanDerWaalsContact C-N 3.34Å; T88-M90 PolarHBondContact O-N 3.02Å; M90-N94 VanDerWaalsContact O-CB 3.22Å; M90-N94 WeakPolarHBondContact O-CB 3.33Å; M90-N94 PolarHBondContact O-N 3.19Å; M90-I200 HydrophobicContact CE-CG2 4.35Å; M90-L203 HydrophobicContact CE-CB 3.89Å; M90-L203 HydrophobicContact CE-CD1 3.77Å; M90-L203 HydrophobicContact CE-CG 4.48Å
91	S	47.7	Very low	52	Low	64 Å²	64	82.9 Å²	82.9	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-67.1	-39.8	175.3	86.4	0	0	0	0	112.1	S87 T88 I89 N94 Q95	S87-S91 WeakPolarHBondContact O-CB 3.43Å; S87-S91 PolarHBondContact O-N 2.81Å; T88-S91 PolarHBondContact O-N 3.35Å; T88-S91 PolarHBondContact O-OG 2.86Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 3.28Å; S91-N94 PolarHBondContact O-N 3.47Å; S91-Q95 VanDerWaalsContact O-CB 3.25Å; S91-Q95 WeakPolarHBondContact O-CB 3.09Å; S91-Q95 PolarHBondContact O-N 3.48Å
92	V	55.6	Low	52.3	Low	56 Å²	56	84.7 Å²	84.7	34%	0.339	44%	0.436	S	S	.	.	H	α-helix	trans	-69	-41.8	178.6	172.7	0	0	0	0	110.7	T88 I89 Q95 R96	T88-V92 WeakPolarHBondContact O-CG2 3.43Å; T88-V92 PolarHBondContact O-N 3.33Å; I89-V92 PolarHBondContact O-N 3.46Å; V92-Q95 PolarHBondContact O-N 3.18Å; V92-R96 WeakPolarHBondContact O-CB 3.23Å; V92-R96 WeakPolarHBondContact O-CG 3.5Å; V92-R96 PolarHBondContact O-N 3.16Å
93	V	52.3	Low	52.5	Low	65 Å²	65	85.5 Å²	85.5	39%	0.394	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-40.2	175.2	173.5	0	0	0	0	110.9	I89 S97	I89-V93 HydrophobicContact CG2-CG2 4.38Å; I89-V93 WeakPolarHBondContact O-CG2 3.31Å; I89-V93 PolarHBondContact O-N 2.73Å; V93-S97 VanDerWaalsContact O-CB 3.25Å; V93-S97 WeakPolarHBondContact O-CB 3.36Å; V93-S97 PolarHBondContact O-N 3.21Å
94	N	51.5	Low	52.8	Low	51 Å²	51	84.2 Å²	84.2	27%	0.273	43%	0.425	S	S	.	.	H	α-helix	trans	-67.6	-41.8	176.7	-168.7	62	0	0	0	112.2	M90 S91 S97 E98 I200	M90-N94 VanDerWaalsContact O-CB 3.22Å; M90-N94 WeakPolarHBondContact O-CB 3.33Å; M90-N94 PolarHBondContact O-N 3.19Å; S91-N94 PolarHBondContact O-N 3.47Å; N94-S97 PolarHBondContact O-N 3.17Å; N94-E98 PolarHBondContact O-N 3.3Å; N94-I200 HydrophobicContact CB-CG2 4.49Å
95	Q	57.8	Low	53	Low	112 Å²	112	81.8 Å²	81.8	52%	0.523	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-41.8	176.7	-172	177.4	14.3	0	0	111.6	S91 V92 E98 Q99	S91-Q95 VanDerWaalsContact O-CB 3.25Å; S91-Q95 WeakPolarHBondContact O-CB 3.09Å; S91-Q95 PolarHBondContact O-N 3.48Å; V92-Q95 PolarHBondContact O-N 3.18Å; Q95-E98 PolarHBondContact O-N 3.46Å; Q95-Q99 WeakPolarHBondContact O-CB 3.14Å; Q95-Q99 VanDerWaalsContact O-CG 3.32Å; Q95-Q99 WeakPolarHBondContact O-CG 3.33Å; Q95-Q99 PolarHBondContact O-N 3.31Å
96	R	56.6	Low	53.1	Low	167 Å²	167	78.8 Å²	78.8	63%	0.63	41%	0.412	S	S	*	.	H	α-helix	trans	-65.8	-39.7	174.1	-75.3	-179.2	-178.9	-178.4	1.6	111.8	V92 Q99 Q100	V92-R96 WeakPolarHBondContact O-CB 3.23Å; V92-R96 WeakPolarHBondContact O-CG 3.5Å; V92-R96 PolarHBondContact O-N 3.16Å; R96-Q99 PolarHBondContact O-N 2.85Å; R96-Q100 WeakPolarHBondContact O-CB 3.45Å; R96-Q100 VanDerWaalsContact O-CG 3.26Å; R96-Q100 WeakPolarHBondContact O-CG 3.42Å; R96-Q100 PolarHBondContact O-N 3.17Å
97	S	52	Low	53.3	Low	34 Å²	34	75.7 Å²	75.7	24%	0.238	40%	0.396	C	S	.	.	H	α-helix	trans	-62.7	-45	175.3	-177.3	0	0	0	0	112.2	V93 N94 Q100 A101	V93-S97 VanDerWaalsContact O-CB 3.25Å; V93-S97 WeakPolarHBondContact O-CB 3.36Å; V93-S97 PolarHBondContact O-N 3.21Å; N94-S97 PolarHBondContact O-N 3.17Å; S97-Q100 PolarHBondContact O-N 3.43Å; S97-A101 WeakPolarHBondContact O-CB 3.34Å; S97-A101 PolarHBondContact O-N 2.78Å
98	E	54.8	Low	53.5	Low	102 Å²	102	76 Å²	76	48%	0.477	39%	0.394	S	S	.	.	H	α-helix	trans	-65.5	-39.4	175.8	-88.3	175	168.4	0	0	112.4	N94 Q95 A101 Q102	N94-E98 PolarHBondContact O-N 3.3Å; Q95-E98 PolarHBondContact O-N 3.46Å; E98-A101 PolarHBondContact O-N 2.86Å; E98-Q102 WeakPolarHBondContact O-CG 3.45Å; E98-Q102 PolarHBondContact O-N 3.47Å
99	Q	59.1	Low	53.7	Low	96 Å²	96	77.8 Å²	77.8	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-63.7	-40	173.9	-77.3	179	-6.1	0	0	112.3	Q95 R96 Q102 K103	Q95-Q99 WeakPolarHBondContact O-CB 3.14Å; Q95-Q99 VanDerWaalsContact O-CG 3.32Å; Q95-Q99 WeakPolarHBondContact O-CG 3.33Å; Q95-Q99 PolarHBondContact O-N 3.31Å; R96-Q99 PolarHBondContact O-N 2.85Å; Q99-Q102 PolarHBondContact O-N 3.33Å; Q99-K103 WeakPolarHBondContact O-CG 3.41Å; Q99-K103 PolarHBondContact O-N 3.38Å
100	Q	49.6	Very low	53.6	Low	52 Å²	52	77.2 Å²	77.2	24%	0.243	39%	0.392	C	S	.	.	H	α-helix	trans	-69.6	-36.8	176.5	-70.1	-67.9	-3.8	0	0	111.8	M41 R96 S97 K103 L104	M41-Q100 VanDerWaalsContact CE-OE1 3.23Å; R96-Q100 WeakPolarHBondContact O-CB 3.45Å; R96-Q100 VanDerWaalsContact O-CG 3.26Å; R96-Q100 WeakPolarHBondContact O-CG 3.42Å; R96-Q100 PolarHBondContact O-N 3.17Å; S97-Q100 PolarHBondContact O-N 3.43Å; Q100-K103 PolarHBondContact O-N 2.81Å; Q100-L104 WeakPolarHBondContact O-CB 3.14Å; Q100-L104 PolarHBondContact O-N 2.74Å
101	A	52.6	Low	53.7	Low	36 Å²	36	76.6 Å²	76.6	30%	0.298	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-42.3	173.9	0	0	0	0	0	112.2	S97 E98 L104 E105 I193	S97-A101 WeakPolarHBondContact O-CB 3.34Å; S97-A101 PolarHBondContact O-N 2.78Å; E98-A101 PolarHBondContact O-N 2.86Å; A101-L104 PolarHBondContact O-N 2.92Å; A101-E105 PolarHBondContact O-N 2.9Å; A101-I193 HydrophobicContact CB-CG2 4.17Å
102	Q	55.6	Low	54	Low	137 Å²	137	76.4 Å²	76.4	64%	0.64	38%	0.384	S	S	*	.	H	α-helix	trans	-66	-39.8	176.1	-73.3	177.5	-1.8	0	0	112.4	E98 Q99 E105 G106	E98-Q102 WeakPolarHBondContact O-CG 3.45Å; E98-Q102 PolarHBondContact O-N 3.47Å; Q99-Q102 PolarHBondContact O-N 3.33Å; Q102-E105 PolarHBondContact O-N 2.91Å; Q102-G106 PolarHBondContact O-N 3.49Å
103	K	56.8	Low	53.9	Low	123 Å²	123	76.2 Å²	76.2	54%	0.535	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-42.5	173.3	-75.5	177.5	-179.5	179.9	0	111.7	Q99 Q100 G106 M107	Q99-K103 WeakPolarHBondContact O-CG 3.41Å; Q99-K103 PolarHBondContact O-N 3.38Å; Q100-K103 PolarHBondContact O-N 2.81Å; K103-G106 PolarHBondContact O-N 2.91Å; K103-M107 PolarHBondContact O-N 3.21Å
104	L	51.6	Low	54.1	Low	33 Å²	33	74.5 Å²	74.5	17%	0.173	37%	0.374	C	S	.	.	H	α-helix	trans	-66	-39.7	177.9	-165.3	70.1	0	0	0	111.9	Q100 A101 G106 M107 E108 Q190 I193	Q100-L104 WeakPolarHBondContact O-CB 3.14Å; Q100-L104 PolarHBondContact O-N 2.74Å; A101-L104 PolarHBondContact O-N 2.92Å; L104-G106 VanDerWaalsContact C-N 3.34Å; L104-G106 PolarHBondContact O-N 3.08Å; L104-M107 PolarHBondContact O-N 2.87Å; L104-E108 WeakPolarHBondContact O-CB 3.42Å; L104-E108 PolarHBondContact O-N 2.8Å; L104-Q190 HydrophobicContact CD2-CG 4.3Å; L104-I193 HydrophobicContact CD2-CD1 3.79Å
105	E	54.1	Low	54.1	Low	91 Å²	91	74.3 Å²	74.3	43%	0.425	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-39.4	174.1	-165.3	-167.7	153.1	0	0	111.8	A101 Q102 E108 K109	A101-E105 PolarHBondContact O-N 2.9Å; Q102-E105 PolarHBondContact O-N 2.91Å; E105-E108 PolarHBondContact O-N 2.93Å; E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 VanDerWaalsContact O-N 3.12Å; E105-K109 WeakPolarHBondContact OE1-CE 3.5Å; E105-K109 IonicContact OE1-NZ 2.78Å; E105-K109 PolarHBondContact OE1-NZ 2.86Å
106	G	55.5	Low	54.2	Low	39 Å²	39	75.7 Å²	75.7	40%	0.402	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-44.5	173.3	0	0	0	0	0	112.5	Q102 K103 L104 K109 L110	Q102-G106 PolarHBondContact O-N 3.49Å; K103-G106 PolarHBondContact O-N 2.91Å; L104-G106 VanDerWaalsContact C-N 3.34Å; L104-G106 PolarHBondContact O-N 3.08Å; G106-K109 PolarHBondContact O-N 2.85Å; G106-L110 PolarHBondContact O-N 3.5Å; G106-L110 VanDerWaalsContact O-N 3.11Å
107	M	52	Low	54.1	Low	45 Å²	45	71.2 Å²	71.2	22%	0.222	37%	0.369	C	S	.	.	H	α-helix	trans	-68.9	-36.5	176.9	-98.8	160	57.6	0	0	113.1	L38 M41 K103 L104 K109 L110 V111	L38-M107 HydrophobicContact CD1-CE 4.26Å; L38-M107 HydrophobicContact CD2-CE 3.19Å; L38-M107 HydrophobicContact CG-CE 3.45Å; L38-M107 VanDerWaalsContact CG-CE 3.45Å; M41-M107 HydrophobicContact SD-CE 4.23Å; M41-M107 HydrophobicContact SD-SD 4.29Å; K103-M107 PolarHBondContact O-N 3.21Å; L104-M107 PolarHBondContact O-N 2.87Å; M107-K109 VanDerWaalsContact C-N 3.32Å; M107-K109 PolarHBondContact O-N 2.65Å; M107-L110 WeakPolarHBondContact O-CB 3.32Å; M107-L110 PolarHBondContact O-N 2.87Å; M107-L110 VanDerWaalsContact O-N 3.12Å; M107-V111 WeakPolarHBondContact O-CG2 3.37Å; M107-V111 PolarHBondContact O-N 3.09Å
108	E	50.4	Low	54.4	Low	50 Å²	50	70.7 Å²	70.7	23%	0.234	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-42.8	173.9	-170.3	-176.8	-179.5	0	0	111.2	L104 E105 L110 V111 L112 Q190	L104-E108 WeakPolarHBondContact O-CB 3.42Å; L104-E108 PolarHBondContact O-N 2.8Å; E105-E108 PolarHBondContact O-N 2.93Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 2.84Å; E108-V111 PolarHBondContact O-N 3.28Å; E108-L112 HydrophobicContact CG-CD1 4.16Å; E108-L112 VanDerWaalsContact O-CB 3.27Å; E108-L112 WeakPolarHBondContact O-CB 3.15Å; E108-L112 WeakPolarHBondContact O-CD1 3.5Å; E108-L112 WeakPolarHBondContact O-CG 2.98Å; E108-L112 PolarHBondContact O-N 3.04Å; E108-Q190 PolarHBondContact OE2-NE2 2.99Å
109	K	56.8	Low	54.4	Low	120 Å²	120	67.4 Å²	67.4	52%	0.522	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-37.5	173.8	-73.3	171.2	-173.4	162	0	112	E105 G106 M107 L112 S113	E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 VanDerWaalsContact O-N 3.12Å; E105-K109 WeakPolarHBondContact OE1-CE 3.5Å; E105-K109 IonicContact OE1-NZ 2.78Å; E105-K109 PolarHBondContact OE1-NZ 2.86Å; G106-K109 PolarHBondContact O-N 2.85Å; M107-K109 VanDerWaalsContact C-N 3.32Å; M107-K109 PolarHBondContact O-N 2.65Å; K109-L112 WeakPolarHBondContact O-CB 3.48Å; K109-S113 WeakPolarHBondContact O-CB 3.41Å; K109-S113 PolarHBondContact O-N 2.82Å
110	L	52.2	Low	54.4	Low	90 Å²	90	69.3 Å²	69.3	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-69.1	-45.1	178.3	-147	149.6	0	0	0	111.2	G106 M107 E108 L112 S113 M114	G106-L110 PolarHBondContact O-N 3.5Å; G106-L110 VanDerWaalsContact O-N 3.11Å; M107-L110 WeakPolarHBondContact O-CB 3.32Å; M107-L110 PolarHBondContact O-N 2.87Å; M107-L110 VanDerWaalsContact O-N 3.12Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 2.84Å; L110-L112 PolarHBondContact O-N 2.78Å; L110-S113 PolarHBondContact O-N 3.24Å; L110-S113 PolarHBondContact O-OG 3.32Å; L110-M114 HydrophobicContact CD2-CG 4.5Å; L110-M114 HydrophobicContact CD2-SD 4.12Å; L110-M114 PolarHBondContact O-N 2.92Å
111	V	53.7	Low	54.9	Low	45 Å²	45	70.1 Å²	70.1	27%	0.273	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-40.9	174.5	172.6	0	0	0	0	111.6	M107 E108 M114 Q115	M107-V111 WeakPolarHBondContact O-CG2 3.37Å; M107-V111 PolarHBondContact O-N 3.09Å; E108-V111 PolarHBondContact O-N 3.28Å; V111-M114 PolarHBondContact O-N 3.06Å; V111-Q115 WeakPolarHBondContact O-CG 3.46Å; V111-Q115 PolarHBondContact O-N 2.93Å
112	L	54.5	Low	54.9	Low	60 Å²	60	69.4 Å²	69.4	31%	0.314	37%	0.365	S	S	.	.	H	α-helix	trans	-58.6	-45.2	172.8	-88.6	161.9	0	0	0	112.2	E108 K109 L110 Q115 Q116	E108-L112 HydrophobicContact CG-CD1 4.16Å; E108-L112 VanDerWaalsContact O-CB 3.27Å; E108-L112 WeakPolarHBondContact O-CB 3.15Å; E108-L112 WeakPolarHBondContact O-CD1 3.5Å; E108-L112 WeakPolarHBondContact O-CG 2.98Å; E108-L112 PolarHBondContact O-N 3.04Å; K109-L112 WeakPolarHBondContact O-CB 3.48Å; L110-L112 PolarHBondContact O-N 2.78Å; L112-Q115 PolarHBondContact O-N 2.87Å; L112-Q116 WeakPolarHBondContact O-CG 3.23Å; L112-Q116 PolarHBondContact O-N 3.42Å
113	S	52.3	Low	54.9	Low	52 Å²	52	69.3 Å²	69.3	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-39.5	177.8	77.4	0	0	0	0	112	K109 L110 Q116 V117	K109-S113 WeakPolarHBondContact O-CB 3.41Å; K109-S113 PolarHBondContact O-N 2.82Å; L110-S113 PolarHBondContact O-N 3.24Å; L110-S113 PolarHBondContact O-OG 3.32Å; S113-Q116 WeakPolarHBondContact O-CB 3.06Å; S113-Q116 PolarHBondContact O-N 3.42Å; S113-V117 WeakPolarHBondContact O-CG2 3.43Å; S113-V117 PolarHBondContact O-N 3.25Å
114	M	56.3	Low	54.8	Low	30 Å²	30	66.8 Å²	66.8	15%	0.148	36%	0.36	C	S	.	.	H	α-helix	trans	-65.6	-40.6	174.2	-72.7	-178.4	77.4	0	0	111.7	L27 I30 Q31 L110 V111 Q116 V117 I118	L27-M114 HydrophobicContact CD2-CE 4.05Å; L27-M114 HydrophobicContact CG-CE 4.44Å; I30-M114 HydrophobicContact CG2-CE 4.34Å; Q31-M114 HydrophobicContact CG-CE 3.39Å; L110-M114 HydrophobicContact CD2-CG 4.5Å; L110-M114 HydrophobicContact CD2-SD 4.12Å; L110-M114 PolarHBondContact O-N 2.92Å; V111-M114 PolarHBondContact O-N 3.06Å; M114-Q116 VanDerWaalsContact C-N 3.3Å; M114-Q116 PolarHBondContact O-N 3.11Å; M114-V117 PolarHBondContact O-N 3.37Å; M114-I118 WeakPolarHBondContact O-CB 3.4Å; M114-I118 WeakPolarHBondContact O-CG1 3.37Å; M114-I118 PolarHBondContact O-N 3.47Å
115	Q	52.5	Low	55	Low	46 Å²	46	68.3 Å²	68.3	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-37.4	174.2	-78.7	-178.7	-21.3	0	0	112.2	V111 L112 I118 G119 L178	V111-Q115 WeakPolarHBondContact O-CG 3.46Å; V111-Q115 PolarHBondContact O-N 2.93Å; L112-Q115 PolarHBondContact O-N 2.87Å; Q115-I118 PolarHBondContact O-N 2.94Å; Q115-G119 PolarHBondContact O-N 3.12Å; Q115-L178 PolarHBondContact NE2-O 2.92Å
116	Q	58.7	Low	54.8	Low	142 Å²	142	71.8 Å²	71.8	66%	0.664	38%	0.384	S	S	*	.	H	α-helix	trans	-65.7	-42.1	174.5	-74	174.3	-9.2	0	0	112	L112 S113 M114 G119 F120	L112-Q116 WeakPolarHBondContact O-CG 3.23Å; L112-Q116 PolarHBondContact O-N 3.42Å; S113-Q116 WeakPolarHBondContact O-CB 3.06Å; S113-Q116 PolarHBondContact O-N 3.42Å; M114-Q116 VanDerWaalsContact C-N 3.3Å; M114-Q116 PolarHBondContact O-N 3.11Å; Q116-G119 PolarHBondContact O-N 2.86Å; Q116-F120 VanDerWaalsContact O-CB 3.3Å; Q116-F120 WeakPolarHBondContact O-CB 3.38Å; Q116-F120 PolarHBondContact O-N 2.77Å
117	V	55.8	Low	54.4	Low	73 Å²	73	75.3 Å²	75.3	44%	0.442	40%	0.401	S	S	.	.	H	α-helix	trans	-64.8	-44.6	175.9	172.4	0	0	0	0	111	S113 M114 F120 I121	S113-V117 WeakPolarHBondContact O-CG2 3.43Å; S113-V117 PolarHBondContact O-N 3.25Å; M114-V117 PolarHBondContact O-N 3.37Å; V117-F120 PolarHBondContact O-N 3.36Å; V117-I121 HydrophobicContact CG1-CD1 3.79Å; V117-I121 HydrophobicContact CG1-CG1 4.5Å; V117-I121 WeakPolarHBondContact O-CB 3.13Å; V117-I121 VanDerWaalsContact O-CG1 3.23Å; V117-I121 WeakPolarHBondContact O-CG1 3.35Å; V117-I121 PolarHBondContact O-N 3.32Å
118	I	57.3	Low	54.7	Low	22 Å²	22	75.5 Å²	75.5	11%	0.113	41%	0.407	C	S	.	.	H	α-helix	trans	-63.2	-42.9	177	-71.4	168.9	0	0	0	110.6	L27 M114 Q115 I121 G122 F175	L27-I118 HydrophobicContact CD2-CD1 4.19Å; L27-I118 HydrophobicContact CD2-CG1 4.22Å; M114-I118 WeakPolarHBondContact O-CB 3.4Å; M114-I118 WeakPolarHBondContact O-CG1 3.37Å; M114-I118 PolarHBondContact O-N 3.47Å; Q115-I118 PolarHBondContact O-N 2.94Å; I118-I121 PolarHBondContact O-N 2.92Å; I118-G122 PolarHBondContact O-N 3.21Å; I118-F175 HydrophobicContact CB-CE1 4.43Å; I118-F175 HydrophobicContact CG2-CD1 3.73Å; I118-F175 HydrophobicContact CG2-CE1 3.15Å; I118-F175 HydrophobicContact CG2-CE2 4.38Å; I118-F175 HydrophobicContact CG2-CZ 3.53Å; I118-F175 WeakPolarHBondContact O-CE1 3.08Å
119	G	54.5	Low	54.7	Low	34 Å²	34	80.9 Å²	80.9	35%	0.351	43%	0.43	S	S	.	.	H	α-helix	trans	-61.7	-46.3	174.5	0	0	0	0	0	112.6	Q115 Q116 I121 G122 E123	Q115-G119 PolarHBondContact O-N 3.12Å; Q116-G119 PolarHBondContact O-N 2.86Å; G119-I121 PolarHBondContact O-N 3.21Å; G119-G122 PolarHBondContact O-N 2.89Å; G119-E123 PolarHBondContact O-N 3.17Å
120	F	60.7	Low	54.5	Low	136 Å²	136	78.2 Å²	78.2	60%	0.596	42%	0.423	S	S	*	.	H	α-helix	trans	-61.4	-42.5	176.1	179.2	-99.2	0	0	0	112.2	Q116 V117 E123 T124	Q116-F120 VanDerWaalsContact O-CB 3.3Å; Q116-F120 WeakPolarHBondContact O-CB 3.38Å; Q116-F120 PolarHBondContact O-N 2.77Å; V117-F120 PolarHBondContact O-N 3.36Å; F120-E123 PolarHBondContact O-N 3.42Å; F120-T124 VanDerWaalsContact O-CB 3.23Å; F120-T124 WeakPolarHBondContact O-CB 3.38Å; F120-T124 PolarHBondContact O-N 3.08Å; F120-T124 PolarHBondContact O-OG1 3.14Å
121	I	59.9	Low	54.4	Low	69 Å²	69	77.4 Å²	77.4	35%	0.354	42%	0.418	S	S	.	.	H	α-helix	trans	-64.8	-43.2	174.7	-67.9	166.3	0	0	0	110.2	V117 I118 G119 E123 T124 V125	V117-I121 HydrophobicContact CG1-CD1 3.79Å; V117-I121 HydrophobicContact CG1-CG1 4.5Å; V117-I121 WeakPolarHBondContact O-CB 3.13Å; V117-I121 VanDerWaalsContact O-CG1 3.23Å; V117-I121 WeakPolarHBondContact O-CG1 3.35Å; V117-I121 PolarHBondContact O-N 3.32Å; I118-I121 PolarHBondContact O-N 2.92Å; G119-I121 PolarHBondContact O-N 3.21Å; I121-E123 PolarHBondContact O-N 2.96Å; I121-T124 PolarHBondContact O-N 3Å; I121-V125 HydrophobicContact CG2-CG2 4.23Å; I121-V125 WeakPolarHBondContact O-CB 3.34Å; I121-V125 WeakPolarHBondContact O-CG2 3.34Å; I121-V125 PolarHBondContact O-N 3.42Å
122	G	51.7	Low	54.1	Low	21 Å²	21	80.3 Å²	80.3	22%	0.216	43%	0.429	C	S	.	.	H	α-helix	trans	-61.3	-41.7	177	0	0	0	0	0	113.4	I118 G119 K126	I118-G122 PolarHBondContact O-N 3.21Å; G119-G122 PolarHBondContact O-N 2.89Å; G122-K126 WeakPolarHBondContact O-CB 3.19Å; G122-K126 WeakPolarHBondContact O-CG 3.3Å; G122-K126 PolarHBondContact O-N 3.4Å
123	E	55.2	Low	53.9	Low	135 Å²	135	84.2 Å²	84.2	63%	0.631	45%	0.447	S	S	*	.	H	α-helix	trans	-68.4	-43.2	173.4	-75.2	-173.2	167.1	0	0	111.8	G119 F120 I121 V125 K126 C127	G119-E123 PolarHBondContact O-N 3.17Å; F120-E123 PolarHBondContact O-N 3.42Å; I121-E123 PolarHBondContact O-N 2.96Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.21Å; E123-K126 PolarHBondContact O-N 3.46Å; E123-C127 VanDerWaalsContact O-CB 3.31Å; E123-C127 WeakPolarHBondContact O-CB 3.44Å; E123-C127 PolarHBondContact O-N 3.35Å; E123-C127 PolarHBondContact O-SG 2.93Å
124	T	56	Low	53.9	Low	69 Å²	69	88.3 Å²	88.3	42%	0.423	46%	0.462	S	S	.	.	H	α-helix	trans	-63	-38.3	178	-59.1	0	0	0	0	111.8	F120 I121 S128	F120-T124 VanDerWaalsContact O-CB 3.23Å; F120-T124 WeakPolarHBondContact O-CB 3.38Å; F120-T124 PolarHBondContact O-N 3.08Å; F120-T124 PolarHBondContact O-OG1 3.14Å; I121-T124 PolarHBondContact O-N 3Å; T124-S128 PolarHBondContact O-N 3.17Å
125	V	55	Low	53.6	Low	66 Å²	66	94.7 Å²	94.7	40%	0.4	49%	0.489	S	S	.	.	H	α-helix	trans	-70.4	-40.9	175.2	170.9	0	0	0	0	111.1	I121 E123 S128 M131	I121-V125 HydrophobicContact CG2-CG2 4.23Å; I121-V125 WeakPolarHBondContact O-CB 3.34Å; I121-V125 WeakPolarHBondContact O-CG2 3.34Å; I121-V125 PolarHBondContact O-N 3.42Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.21Å; V125-S128 PolarHBondContact O-N 2.87Å; V125-M131 HydrophobicContact CG1-CE 3.68Å
126	K	50.2	Low	53.2	Low	164 Å²	164	99.3 Å²	99.3	71%	0.713	51%	0.509	S	S	*	.	H	α-helix	trans	-63.8	-36.2	173.5	-89.1	179.8	174.2	175.4	0	113.3	G122 E123 S128	G122-K126 WeakPolarHBondContact O-CB 3.19Å; G122-K126 WeakPolarHBondContact O-CG 3.3Å; G122-K126 PolarHBondContact O-N 3.4Å; E123-K126 PolarHBondContact O-N 3.46Å; K126-S128 VanDerWaalsContact C-N 3.34Å
127	C	47.3	Very low	52.2	Low	113 Å²	113	95.5 Å²	95.5	76%	0.764	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.9	-178.7	-67.6	0	0	0	0	113.7	E123	E123-C127 VanDerWaalsContact O-CB 3.31Å; E123-C127 WeakPolarHBondContact O-CB 3.44Å; E123-C127 PolarHBondContact O-N 3.35Å; E123-C127 PolarHBondContact O-SG 2.93Å
128	S	58	Low	51.4	Low	49 Å²	49	98.3 Å²	98.3	34%	0.343	53%	0.527	S	S	.	.			trans	-82.4	132.2	-179.3	-179.3	0	0	0	0	112.4	T124 V125 K126 V130 M131	T124-S128 PolarHBondContact O-N 3.17Å; V125-S128 PolarHBondContact O-N 2.87Å; K126-S128 VanDerWaalsContact C-N 3.34Å; S128-V130 PolarHBondContact O-N 3.49Å; S128-V130 PolarHBondContact OG-N 3.31Å; S128-M131 PolarHBondContact O-N 3.37Å
129	K	50.5	Low	50.3	Low	163 Å²	163	102.1 Å²	102.1	71%	0.709	56%	0.562	S	S	*	*	H	α-helix	trans	-53.9	-20.2	171.6	-100.1	172.4	175.7	172.1	0	113.6	E132 M133	K129-E132 PolarHBondContact O-N 3.31Å; K129-M133 WeakPolarHBondContact O-CG 3.34Å; K129-M133 PolarHBondContact O-N 3.39Å
130	V	52.3	Low	49.4	Very low	63 Å²	63	106.9 Å²	106.9	38%	0.382	58%	0.584	S	S	.	*	H	α-helix	trans	-65.2	-38.5	175.5	179.8	0	0	0	0	111.5	S128 E132 M133 M134	S128-V130 PolarHBondContact O-N 3.49Å; S128-V130 PolarHBondContact OG-N 3.31Å; V130-E132 VanDerWaalsContact C-N 3.32Å; V130-M133 HydrophobicContact CG2-CE 4.35Å; V130-M133 PolarHBondContact O-N 3.47Å; V130-M134 HydrophobicContact CG1-CE 3.88Å; V130-M134 HydrophobicContact CG1-CG 4.48Å; V130-M134 HydrophobicContact CG1-SD 4.15Å; V130-M134 WeakPolarHBondContact O-CB 3.31Å; V130-M134 WeakPolarHBondContact O-CG 3.49Å; V130-M134 PolarHBondContact O-N 3.29Å
131	M	49.4	Very low	47.8	Very low	74 Å²	74	111.5 Å²	111.5	37%	0.365	60%	0.598	S	S	.	*	H	α-helix	trans	-69.4	-32.3	175.7	-171.8	160.4	-83.2	0	0	111.4	V125 S128 F135	V125-M131 HydrophobicContact CG1-CE 3.68Å; S128-M131 PolarHBondContact O-N 3.37Å; M131-F135 HydrophobicContact CG-CD2 4.15Å; M131-F135 HydrophobicContact CG-CE2 4.48Å; M131-F135 PolarHBondContact O-N 2.94Å
132	E	47.7	Very low	46.3	Very low	106 Å²	106	116.7 Å²	116.7	50%	0.495	62%	0.618	S	S	.	*	H	α-helix	trans	-69.9	-36.9	174.4	-139.4	-167.8	164.9	0	0	112.6	K129 V130 K136	K129-E132 PolarHBondContact O-N 3.31Å; V130-E132 VanDerWaalsContact C-N 3.32Å; E132-K136 PolarHBondContact O-N 3.11Å; E132-K136 IonicContact OE1-NZ 3.3Å; E132-K136 PolarHBondContact OE1-NZ 2.88Å
133	M	50.1	Low	45	Very low	141 Å²	141	121.5 Å²	121.5	70%	0.695	64%	0.643	S	S	*	*	H	α-helix	trans	-75.6	-28.7	176.3	-70.2	-173.6	-62.1	0	0	113.5	K129 V130	K129-M133 WeakPolarHBondContact O-CG 3.34Å; K129-M133 PolarHBondContact O-N 3.39Å; V130-M133 HydrophobicContact CG2-CE 4.35Å; V130-M133 PolarHBondContact O-N 3.47Å
134	M	52	Low	43.7	Very low	138 Å²	138	120.1 Å²	120.1	68%	0.68	65%	0.648	S	S	*	*	H	α-helix	trans	-80.2	-23.7	177.7	-74.8	-176	174.1	0	0	113.7	V130	V130-M134 HydrophobicContact CG1-CE 3.88Å; V130-M134 HydrophobicContact CG1-CG 4.48Å; V130-M134 HydrophobicContact CG1-SD 4.15Å; V130-M134 WeakPolarHBondContact O-CB 3.31Å; V130-M134 WeakPolarHBondContact O-CG 3.49Å; V130-M134 PolarHBondContact O-N 3.29Å
135	F	50.8	Low	42.3	Very low	164 Å²	164	128.6 Å²	128.6	72%	0.719	67%	0.672	S	S	*	*	H	α-helix	trans	-109.3	-8.1	-176.2	-81.2	-85.1	0	0	0	115.5	M131	M131-F135 HydrophobicContact CG-CD2 4.15Å; M131-F135 HydrophobicContact CG-CE2 4.48Å; M131-F135 PolarHBondContact O-N 2.94Å
136	K	43.6	Very low	41	Very low	144 Å²	144	132.6 Å²	132.6	63%	0.626	69%	0.691	S	S	*	*	S	Bend	trans	-101.4	94.7	166.1	-75.9	176.5	-179.5	164.9	0	109.6	E132	E132-K136 PolarHBondContact O-N 3.11Å; E132-K136 IonicContact OE1-NZ 3.3Å; E132-K136 PolarHBondContact OE1-NZ 2.88Å
137	G	38.4	Very low	39.9	Very low	61 Å²	61	133 Å²	133	63%	0.629	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-57.2	155.3	169	0	0	0	0	0	111.9	A139	G137-A139 PolarHBondContact O-N 3.35Å
138	P	37.8	Very low	39	Very low	133 Å²	133	134.1 Å²	134.1	86%	0.864	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-66.7	120	-170.8	16.2	-15.9	0	0	0	111.3	T140	P138-T140 PolarHBondContact O-N 2.82Å
139	A	34.9	Very low	37.6	Very low	102 Å²	102	136.4 Å²	136.4	84%	0.843	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-67.4	124.2	169.6	0	0	0	0	0	109.9	G137	G137-A139 PolarHBondContact O-N 3.35Å
140	T	35.1	Very low	36.6	Very low	134 Å²	134	138.8 Å²	138.8	82%	0.822	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-68.7	127.5	174.4	41.2	0	0	0	0	111.9	P138	P138-T140 PolarHBondContact O-N 2.82Å
141	R	27.8	Very low	35.4	Very low	233 Å²	233	139.4 Å²	139.4	88%	0.879	74%	0.737	S	S	*	*			trans	174.8	129.1	148	-101.6	169.1	-178.8	-175.2	1.5	106.9
142	K	28.3	Very low	34.4	Very low	178 Å²	178	145.8 Å²	145.8	77%	0.774	76%	0.763	S	S	*	*			cis	-170.5	157.2	44.7	-114	169.5	-177.3	-178.7	0	111
143	T	25.4	Very low	33.6	Very low	122 Å²	122	150.1 Å²	150.1	75%	0.748	78%	0.783	S	S	*	*			trans	75.9	110	145.7	50	0	0	0	0	122.9
144	S	27.1	Very low	32.5	Very low	105 Å²	105	147.8 Å²	147.8	73%	0.734	79%	0.786	S	S	*	*			trans	44	117.4	132.1	62.1	0	0	0	0	122.2
145	R	27.3	Very low	31.3	Very low	248 Å²	248	147.4 Å²	147.4	94%	0.936	79%	0.791	S	S	*	*				-177	150.7	100.9	-104.9	176.4	172.6	169.3	-2.9	113.4
146	N	26.6	Very low	30.3	Very low	149 Å²	149	149 Å²	149	80%	0.797	80%	0.798	S	S	*	*			trans	-52.8	144.3	-176.1	-91.1	-14.8	0	0	0	119.9
147	K	27.9	Very low	29.5	Very low	172 Å²	172	154 Å²	154	75%	0.748	81%	0.813	S	S	*	*				61.8	138.5	126.7	-91.4	-176	174	-178.9	0	124.5
148	D	27.6	Very low	29.1	Very low	137 Å²	137	161.2 Å²	161.2	73%	0.733	83%	0.827	S	S	*	*			trans	78.9	144.8	149.4	-55.2	-24	0	0	0	118.6
149	S	29.8	Very low	28.6	Very low	98 Å²	98	159.6 Å²	159.6	69%	0.685	83%	0.825	S	S	*	*			cis	-171.1	149.5	-25.2	55.2	0	0	0	0	108.5
150	K	29.2	Very low	28.2	Very low	212 Å²	212	160.6 Å²	160.6	92%	0.922	83%	0.826	S	S	*	*			trans	59.2	127	153.6	-70.8	178.4	175.6	174.5	0	122.2
151	G	27.1	Very low	28	Very low	76 Å²	76	160.8 Å²	160.8	78%	0.784	83%	0.827	S	S	*	*			trans	160.9	88.6	147.5	0	0	0	0	0	119.2
152	K	28.8	Very low	28	Very low	209 Å²	209	158 Å²	158	91%	0.909	82%	0.824	S	S	*	*			trans	36.1	112.4	146.9	-70.1	-179.8	174.8	179.1	0	123.1
153	Q	29.3	Very low	28	Very low	197 Å²	197	155.3 Å²	155.3	92%	0.921	82%	0.823	S	S	*	*				44	140.9	120.1	-112.2	175.9	10.4	0	0	125.5
154	A	27.1	Very low	28.3	Very low	91 Å²	91	156.1 Å²	156.1	75%	0.752	83%	0.827	S	S	*	*			trans	90.6	130.5	161.3	0	0	0	0	0	115.9
155	T	26.7	Very low	28.7	Very low	130 Å²	130	157 Å²	157	80%	0.798	83%	0.828	S	S	*	*			cis	-166.7	148.9	16.5	-16.9	0	0	0	0	110.4
156	K	29.8	Very low	28.9	Very low	197 Å²	197	154.2 Å²	154.2	86%	0.857	82%	0.823	S	S	*	*			trans	61.2	110.3	146.1	-121.9	176.8	-173.9	175.4	0	120.8
157	R	26.8	Very low	29.4	Very low	251 Å²	251	155.8 Å²	155.8	95%	0.947	82%	0.823	S	S	*	*				-177.4	138.3	113.5	-99.3	173.2	178.2	-175.4	-0.2	111.7
158	K	30.4	Very low	29.6	Very low	212 Å²	212	151.6 Å²	151.6	92%	0.922	81%	0.813	S	S	*	*			trans	-67.1	138.1	179.7	-71.9	174.6	170.9	-179.5	0	111.6
159	A	27.6	Very low	29.9	Very low	98 Å²	98	151 Å²	151	81%	0.81	81%	0.809	S	S	*	*			trans	-163.6	115.7	136.5	0	0	0	0	0	109
160	S	27.5	Very low	30.2	Very low	123 Å²	123	154.7 Å²	154.7	86%	0.86	81%	0.813	S	S	*	*			trans	-72.4	123.5	177.2	19.9	0	0	0	0	110.7
161	T	29.6	Very low	30.6	Very low	139 Å²	139	147.3 Å²	147.3	85%	0.853	79%	0.788	S	S	*	*			trans	-78	115.6	165.4	37	0	0	0	0	110.2
162	E	27.4	Very low	31.1	Very low	174 Å²	174	149.1 Å²	149.1	81%	0.813	78%	0.779	S	S	*	*			trans	-134.3	114.2	160.9	-96.5	-175.5	165.8	0	0	111.2
163	T	29.8	Very low	31.6	Very low	122 Å²	122	146.8 Å²	146.8	75%	0.748	77%	0.769	S	S	*	*			trans	55.7	100.6	143.5	55.1	0	0	0	0	121
164	V	31.7	Very low	31.9	Very low	138 Å²	138	139 Å²	139	84%	0.836	74%	0.741	S	S	*	*			trans	-124	78.7	154.4	-176.1	0	0	0	0	109.3
165	T	33.8	Very low	32.4	Very low	124 Å²	124	138.3 Å²	138.3	76%	0.761	72%	0.722	S	S	*	*			trans	-140.3	23.5	173.6	46.1	0	0	0	0	114
166	K	32.2	Very low	32.9	Very low	189 Å²	189	140.8 Å²	140.8	82%	0.822	72%	0.718	S	S	*	*	S	Bend	trans	-123.4	14.3	-176	-76.5	-169.6	177.6	178.1	0	117.3
167	K	36.3	Very low	33.3	Very low	183 Å²	183	138.2 Å²	138.2	80%	0.796	71%	0.71	S	S	*	*	S	Bend	trans	-97.4	-26.6	-177.4	-75.8	-172.6	176.2	-177.5	0	118.1
168	P	33.1	Very low	33.8	Very low	83 Å²	83	129.2 Å²	129.2	54%	0.539	68%	0.681	S	S	.	*	H	α-helix	trans	-76	-27.1	-173.8	-4.5	17.2	0	0	0	114.9	K170 C171	P168-K170 PolarHBondContact O-N 3.41Å; P168-C171 PolarHBondContact O-N 3.39Å
169	D	34.2	Very low	34	Very low	124 Å²	124	122.6 Å²	122.6	66%	0.663	66%	0.661	S	S	*	*	H	α-helix	trans	-71.6	-24.7	-175	-83.7	-20.3	0	0	0	114.4	C171 K173	D169-C171 VanDerWaalsContact C-N 3.34Å; D169-K173 WeakPolarHBondContact O-CB 3.47Å; D169-K173 PolarHBondContact O-N 3Å
170	K	36.3	Very low	34.6	Very low	177 Å²	177	121.7 Å²	121.7	77%	0.77	65%	0.645	S	S	*	*	H	α-helix	trans	-70.4	-33.8	175.6	-74.7	-171.3	176.4	-172.4	0	112	P168 G174	P168-K170 PolarHBondContact O-N 3.41Å; K170-G174 PolarHBondContact O-N 3.22Å
171	C	36.9	Very low	34.9	Very low	57 Å²	57	119.4 Å²	119.4	39%	0.385	63%	0.629	S	S	.	*	H	α-helix	trans	-69.1	-45.6	-178.4	-158.7	0	0	0	0	110.9	M24 P168 D169 G174 F175	M24-C171 WeakPolarHBondContact CE-SG 3.25Å; P168-C171 PolarHBondContact O-N 3.39Å; D169-C171 VanDerWaalsContact C-N 3.34Å; C171-G174 PolarHBondContact O-N 3.28Å; C171-F175 WeakPolarHBondContact O-CD2 3.14Å; C171-F175 PolarHBondContact O-N 3.04Å
172	L	38.8	Very low	35.3	Very low	113 Å²	113	115.8 Å²	115.8	59%	0.592	60%	0.601	S	S	*	*	H	α-helix	trans	-69.3	-34.7	176.9	-89.2	132.3	0	0	0	113.8	F175 Y176	L172-F175 PolarHBondContact O-N 2.82Å; L172-Y176 PolarHBondContact O-N 2.82Å
173	K	37.9	Very low	35.8	Very low	160 Å²	160	111.3 Å²	111.3	70%	0.696	59%	0.594	S	S	*	*	H	α-helix	trans	-67.5	-36.8	173.1	-86.9	-178	174	179.5	0	112.9	D169 Y176 M177	D169-K173 WeakPolarHBondContact O-CB 3.47Å; D169-K173 PolarHBondContact O-N 3Å; K173-Y176 PolarHBondContact O-N 2.83Å; K173-M177 PolarHBondContact O-N 2.97Å
174	G	36.7	Very low	36.2	Very low	34 Å²	34	112.4 Å²	112.4	35%	0.351	59%	0.591	S	S	.	*	H	α-helix	trans	-61.6	-42.6	174.1	0	0	0	0	0	112.2	K170 C171 Y176 M177 L178	K170-G174 PolarHBondContact O-N 3.22Å; C171-G174 PolarHBondContact O-N 3.28Å; G174-Y176 VanDerWaalsContact C-N 3.35Å; G174-Y176 PolarHBondContact O-N 3.4Å; G174-M177 PolarHBondContact O-N 2.91Å; G174-L178 WeakPolarHBondContact O-CD1 3.11Å; G174-L178 PolarHBondContact O-N 3.3Å
175	F	37.6	Very low	36.5	Very low	77 Å²	77	109 Å²	109	34%	0.338	57%	0.572	S	S	.	*	H	α-helix	trans	-62.4	-35.5	177.3	-96.4	-96.2	0	0	0	114	M24 I118 C171 L172	M24-F175 HydrophobicContact CE-CE2 4.44Å; I118-F175 HydrophobicContact CB-CE1 4.43Å; I118-F175 HydrophobicContact CG2-CD1 3.73Å; I118-F175 HydrophobicContact CG2-CE1 3.15Å; I118-F175 HydrophobicContact CG2-CE2 4.38Å; I118-F175 HydrophobicContact CG2-CZ 3.53Å; I118-F175 WeakPolarHBondContact O-CE1 3.08Å; C171-F175 WeakPolarHBondContact O-CD2 3.14Å; C171-F175 PolarHBondContact O-N 3.04Å; L172-F175 PolarHBondContact O-N 2.82Å
176	Y	36.4	Very low	36.8	Very low	182 Å²	182	105 Å²	105	71%	0.714	55%	0.548	S	S	*	.	H	α-helix	trans	-79.7	-30.1	179.7	-106.9	-88.4	0	0	0	113.8	L172 K173 G174 L178 S179	L172-Y176 PolarHBondContact O-N 2.82Å; K173-Y176 PolarHBondContact O-N 2.83Å; G174-Y176 VanDerWaalsContact C-N 3.35Å; G174-Y176 PolarHBondContact O-N 3.4Å; Y176-L178 VanDerWaalsContact C-N 3.31Å; Y176-S179 PolarHBondContact O-OG 2.75Å
177	M	37.4	Very low	37.2	Very low	143 Å²	143	97.3 Å²	97.3	70%	0.704	52%	0.523	S	S	*	.	H	α-helix	trans	-71.7	-24.9	174.3	-77.1	-81.8	-76.7	0	0	112.8	K173 G174 T180	K173-M177 PolarHBondContact O-N 2.97Å; G174-M177 PolarHBondContact O-N 2.91Å; M177-T180 PolarHBondContact O-OG1 2.98Å
178	L	37.8	Very low	37.6	Very low	62 Å²	62	93.5 Å²	93.5	33%	0.325	51%	0.511	S	S	.	.	H	α-helix	trans	-77.9	-21.2	-178.1	-102.5	142.8	0	0	0	114.3	Q115 G174 Y176	Q115-L178 PolarHBondContact NE2-O 2.92Å; G174-L178 WeakPolarHBondContact O-CD1 3.11Å; G174-L178 PolarHBondContact O-N 3.3Å; Y176-L178 VanDerWaalsContact C-N 3.31Å
179	S	35.6	Very low	37.9	Very low	73 Å²	73	93.6 Å²	93.6	51%	0.51	50%	0.502	S	S	.	.	H	α-helix	trans	-84.8	-30.6	178.5	63.3	0	0	0	0	112.7	Y176	Y176-S179 PolarHBondContact O-OG 2.75Å
180	T	38.7	Very low	38.3	Very low	78 Å²	78	91.5 Å²	91.5	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-79.7	-32.4	-179.4	44.2	0	0	0	0	113.1	M177 K182 A183	M177-T180 PolarHBondContact O-OG1 2.98Å; T180-K182 VanDerWaalsContact C-N 3.25Å; T180-K182 PolarHBondContact O-N 3.29Å; T180-A183 PolarHBondContact O-N 2.83Å; T180-A183 VanDerWaalsContact O-N 3.15Å
181	C	35.7	Very low	38.6	Very low	76 Å²	76	87.9 Å²	87.9	51%	0.514	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-28.1	-177.1	-144.7	0	0	0	0	113.8	C185	C181-C185 PolarHBondContact O-N 2.93Å
182	K	36.2	Very low	38.9	Very low	63 Å²	63	90.9 Å²	90.9	27%	0.274	48%	0.483	S	S	.	.	I	π-helix	trans	-73.1	-30.7	177.5	-173.8	173.1	176.3	-169.6	0	113.8	T180	T180-K182 VanDerWaalsContact C-N 3.25Å; T180-K182 PolarHBondContact O-N 3.29Å
183	A	38.6	Very low	39.2	Very low	80 Å²	80	87.6 Å²	87.6	66%	0.661	47%	0.466	S	S	*	.	I	π-helix	trans	-77.3	-32.5	-175.9	0	0	0	0	0	112.3	T180	T180-A183 PolarHBondContact O-N 2.83Å; T180-A183 VanDerWaalsContact O-N 3.15Å
184	E	39.3	Very low	39.5	Very low	145 Å²	145	85.3 Å²	85.3	68%	0.678	46%	0.458	S	S	*	.	I	π-helix	trans	-99.3	-30.7	-174.7	-73.6	179.5	158.7	0	0	114.3	N188	E184-N188 WeakPolarHBondContact O-CB 3.35Å; E184-N188 PolarHBondContact O-ND2 2.85Å
185	C	37.3	Very low	39.9	Very low	65 Å²	65	89.6 Å²	89.6	44%	0.439	47%	0.472	S	S	.	.	I	π-helix	trans	-88.2	-58.2	179.7	-84.2	0	0	0	0	113.2	C181 G187 N188 Y189	C181-C185 PolarHBondContact O-N 2.93Å; C185-G187 PolarHBondContact O-N 3.23Å; C185-N188 PolarHBondContact O-N 3Å; C185-Y189 WeakPolarHBondContact O-CD2 3.36Å; C185-Y189 PolarHBondContact O-N 3.38Å
186	C	39.3	Very low	40.2	Very low	40 Å²	40	90 Å²	90	27%	0.27	47%	0.473	S	S	.	.	I	π-helix	trans	-63.5	-37.1	-174.5	-77.6	0	0	0	0	113.7	Y189 Q190	C186-Y189 PolarHBondContact O-N 3.28Å; C186-Q190 PolarHBondContact O-N 2.96Å; C186-Q190 VanDerWaalsContact O-N 3.09Å
187	G	41.6	Very low	40.5	Very low	28 Å²	28	82.3 Å²	82.3	29%	0.289	45%	0.45	S	S	.	.	H	α-helix	trans	-63.7	-45.8	176.9	0	0	0	0	0	112.6	C185 Y189 Q190 D191	C185-G187 PolarHBondContact O-N 3.23Å; G187-Y189 VanDerWaalsContact C-N 3.33Å; G187-Y189 PolarHBondContact O-N 3.42Å; G187-Q190 PolarHBondContact O-N 3.33Å; G187-D191 WeakPolarHBondContact O-CB 3.41Å; G187-D191 PolarHBondContact O-N 2.96Å
188	N	43.3	Very low	40.7	Very low	103 Å²	103	82 Å²	82	55%	0.551	44%	0.444	S	S	*	.	H	α-helix	trans	-64.9	-33.2	179.8	-89.2	-38.1	0	0	0	113.3	E184 C185 K192	E184-N188 WeakPolarHBondContact O-CB 3.35Å; E184-N188 PolarHBondContact O-ND2 2.85Å; C185-N188 PolarHBondContact O-N 3Å; N188-K192 WeakPolarHBondContact O-CB 3.46Å; N188-K192 WeakPolarHBondContact O-CG 3.31Å; N188-K192 PolarHBondContact O-N 3.39Å
189	Y	39.8	Very low	40.9	Very low	86 Å²	86	81.6 Å²	81.6	34%	0.337	45%	0.45	S	S	.	.	H	α-helix	trans	-78.7	-41	178.5	-76.5	-71	0	0	0	112.8	S42 C185 C186 G187 K192 I193	S42-Y189 PolarHBondContact OG-OH 3Å; C185-Y189 WeakPolarHBondContact O-CD2 3.36Å; C185-Y189 PolarHBondContact O-N 3.38Å; C186-Y189 PolarHBondContact O-N 3.28Å; G187-Y189 VanDerWaalsContact C-N 3.33Å; G187-Y189 PolarHBondContact O-N 3.42Å; Y189-K192 PolarHBondContact O-N 3.01Å; Y189-I193 VanDerWaalsContact O-CG1 3.27Å; Y189-I193 WeakPolarHBondContact O-CG1 3.38Å; Y189-I193 PolarHBondContact O-N 3.5Å
190	Q	42.3	Very low	41.2	Very low	79 Å²	79	79.7 Å²	79.7	37%	0.369	43%	0.434	S	S	.	.	H	α-helix	trans	-65.8	-39.8	175.5	-80.8	-169.1	-15.9	0	0	112.3	L104 E108 C186 G187 I193 H194	L104-Q190 HydrophobicContact CD2-CG 4.3Å; E108-Q190 PolarHBondContact OE2-NE2 2.99Å; C186-Q190 PolarHBondContact O-N 2.96Å; C186-Q190 VanDerWaalsContact O-N 3.09Å; G187-Q190 PolarHBondContact O-N 3.33Å; Q190-I193 PolarHBondContact O-N 3.2Å; Q190-H194 VanDerWaalsContact O-CB 3.23Å; Q190-H194 WeakPolarHBondContact O-CB 3.48Å; Q190-H194 PolarHBondContact O-N 3.41Å
191	D	44.3	Very low	41.2	Very low	101 Å²	101	82.7 Å²	82.7	54%	0.54	44%	0.44	S	S	.	.	H	α-helix	trans	-67.2	-39.1	178.2	-75.2	-26.7	0	0	0	112	G187 L195	G187-D191 WeakPolarHBondContact O-CB 3.41Å; G187-D191 PolarHBondContact O-N 2.96Å; D191-L195 WeakPolarHBondContact O-CB 3.42Å; D191-L195 WeakPolarHBondContact O-CD1 3.45Å; D191-L195 PolarHBondContact O-N 2.86Å
192	K	43.1	Very low	41.5	Very low	120 Å²	120	86.5 Å²	86.5	52%	0.522	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-43.7	174.1	-82.3	-177.7	177	-172.5	0	112.5	N188 Y189 K196	N188-K192 WeakPolarHBondContact O-CB 3.46Å; N188-K192 WeakPolarHBondContact O-CG 3.31Å; N188-K192 PolarHBondContact O-N 3.39Å; Y189-K192 PolarHBondContact O-N 3.01Å; K192-K196 WeakPolarHBondContact O-CB 3.39Å; K192-K196 VanDerWaalsContact O-CG 3.32Å; K192-K196 WeakPolarHBondContact O-CG 3.37Å; K192-K196 PolarHBondContact O-N 3.23Å; K192-K196 VanDerWaalsContact O-N 3.1Å
193	I	44.7	Very low	41.7	Very low	45 Å²	45	88.1 Å²	88.1	23%	0.231	46%	0.459	C	S	.	.	H	α-helix	trans	-67.5	-41.6	178.5	-67.4	168.1	0	0	0	110.6	A101 L104 Y189 Q190 K196 G197	A101-I193 HydrophobicContact CB-CG2 4.17Å; L104-I193 HydrophobicContact CD2-CD1 3.79Å; Y189-I193 VanDerWaalsContact O-CG1 3.27Å; Y189-I193 WeakPolarHBondContact O-CG1 3.38Å; Y189-I193 PolarHBondContact O-N 3.5Å; Q190-I193 PolarHBondContact O-N 3.2Å; I193-K196 PolarHBondContact O-N 2.8Å; I193-G197 PolarHBondContact O-N 3.34Å
194	H	43.8	Very low	41.7	Very low	112 Å²	112	90.9 Å²	90.9	52%	0.519	45%	0.454	S	S	.	.	H	α-helix	trans	-70.3	-39.5	-180	-165.8	83.1	0	0	0	112.9	Q190 K198	Q190-H194 VanDerWaalsContact O-CB 3.23Å; Q190-H194 WeakPolarHBondContact O-CB 3.48Å; Q190-H194 PolarHBondContact O-N 3.41Å; H194-K198 WeakPolarHBondContact NE2-CE 3.46Å; H194-K198 PolarHBondContact NE2-NZ 2.57Å; H194-K198 PolarHBondContact O-N 2.91Å
195	L	45	Very low	41.6	Very low	123 Å²	123	89.6 Å²	89.6	64%	0.644	45%	0.451	S	S	*	.	H	α-helix	trans	-64.9	-41.6	173.4	-101.9	86.8	0	0	0	111.9	D191 K198 A199	D191-L195 WeakPolarHBondContact O-CB 3.42Å; D191-L195 WeakPolarHBondContact O-CD1 3.45Å; D191-L195 PolarHBondContact O-N 2.86Å; L195-K198 PolarHBondContact O-N 3.46Å; L195-A199 PolarHBondContact O-N 3.02Å
196	K	44	Very low	41.8	Very low	86 Å²	86	91.3 Å²	91.3	37%	0.374	46%	0.455	S	S	.	.	H	α-helix	trans	-67.8	-41	177.6	-73.6	-174.8	-178.7	-174	0	111.7	E49 K192 I193 K198 A199 I200	E49-K196 IonicContact OE1-NZ 3.03Å; E49-K196 PolarHBondContact OE1-NZ 2.86Å; K192-K196 WeakPolarHBondContact O-CB 3.39Å; K192-K196 VanDerWaalsContact O-CG 3.32Å; K192-K196 WeakPolarHBondContact O-CG 3.37Å; K192-K196 PolarHBondContact O-N 3.23Å; K192-K196 VanDerWaalsContact O-N 3.1Å; I193-K196 PolarHBondContact O-N 2.8Å; K196-K198 VanDerWaalsContact C-N 3.35Å; K196-K198 PolarHBondContact O-N 3.27Å; K196-A199 PolarHBondContact O-N 3.06Å; K196-I200 VanDerWaalsContact O-CG1 3.27Å; K196-I200 WeakPolarHBondContact O-CG1 3.31Å; K196-I200 PolarHBondContact O-N 3.4Å
197	G	43.8	Very low	41.7	Very low	21 Å²	21	92.9 Å²	92.9	22%	0.216	46%	0.458	C	S	.	.	H	α-helix	trans	-62.2	-36.6	173.2	0	0	0	0	0	113.6	I193 I200 K201	I193-G197 PolarHBondContact O-N 3.34Å; G197-I200 PolarHBondContact O-N 2.93Å; G197-K201 PolarHBondContact O-N 2.96Å
198	K	41.1	Very low	41.6	Very low	135 Å²	135	95 Å²	95	59%	0.587	47%	0.469	S	S	*	.	H	α-helix	trans	-68.2	-37.9	172.3	-92.9	178.1	175.8	162	0	113.1	H194 L195 K196 I200 K202	H194-K198 WeakPolarHBondContact NE2-CE 3.46Å; H194-K198 PolarHBondContact NE2-NZ 2.57Å; H194-K198 PolarHBondContact O-N 2.91Å; L195-K198 PolarHBondContact O-N 3.46Å; K196-K198 VanDerWaalsContact C-N 3.35Å; K196-K198 PolarHBondContact O-N 3.27Å; K198-I200 VanDerWaalsContact C-N 3.35Å; K198-K202 WeakPolarHBondContact O-CB 3.36Å; K198-K202 PolarHBondContact O-N 3.45Å
199	A	40.8	Very low	41.2	Very low	54 Å²	54	92.9 Å²	92.9	45%	0.446	47%	0.472	S	S	.	.	H	α-helix	trans	-65	-39.8	175	0	0	0	0	0	111.7	L195 K196 K202 L203	L195-A199 PolarHBondContact O-N 3.02Å; K196-A199 PolarHBondContact O-N 3.06Å; A199-K202 PolarHBondContact O-N 2.87Å; A199-L203 WeakPolarHBondContact O-CG 3.34Å; A199-L203 PolarHBondContact O-N 2.94Å; A199-L203 VanDerWaalsContact O-N 3.12Å
200	I	42.6	Very low	40.9	Very low	34 Å²	34	95.7 Å²	95.7	17%	0.174	49%	0.492	C	S	.	.	H	α-helix	trans	-67.3	-44.7	177.1	-67.5	165.6	0	0	0	111.4	M90 N94 K196 G197 K198 K202 L203 Y204	M90-I200 HydrophobicContact CE-CG2 4.35Å; N94-I200 HydrophobicContact CB-CG2 4.49Å; K196-I200 VanDerWaalsContact O-CG1 3.27Å; K196-I200 WeakPolarHBondContact O-CG1 3.31Å; K196-I200 PolarHBondContact O-N 3.4Å; G197-I200 PolarHBondContact O-N 2.93Å; K198-I200 VanDerWaalsContact C-N 3.35Å; I200-K202 VanDerWaalsContact C-N 3.27Å; I200-K202 PolarHBondContact O-N 3.01Å; I200-L203 PolarHBondContact O-N 3.13Å; I200-Y204 PolarHBondContact O-N 3.22Å
201	K	39.7	Very low	40.4	Very low	141 Å²	141	99.9 Å²	99.9	61%	0.613	51%	0.511	S	S	*	.	H	α-helix	trans	-61.8	-32.9	173.5	-105.2	174.2	177.6	166.2	0	113.3	G197 N205	G197-K201 PolarHBondContact O-N 2.96Å; K201-N205 PolarHBondContact O-N 3.05Å; K201-N205 VanDerWaalsContact O-N 3.15Å
202	K	41.2	Very low	39.8	Very low	156 Å²	156	104.8 Å²	104.8	68%	0.678	52%	0.524	S	S	*	.	H	α-helix	trans	-72.8	-32.2	177.9	-156.3	174.3	-174.4	-178.8	0	112.1	K198 A199 I200 I206	K198-K202 WeakPolarHBondContact O-CB 3.36Å; K198-K202 PolarHBondContact O-N 3.45Å; A199-K202 PolarHBondContact O-N 2.87Å; I200-K202 VanDerWaalsContact C-N 3.27Å; I200-K202 PolarHBondContact O-N 3.01Å; K202-I206 WeakPolarHBondContact O-CD1 3.45Å; K202-I206 WeakPolarHBondContact O-CG1 3.5Å
203	L	39.8	Very low	39.2	Very low	97 Å²	97	106.7 Å²	106.7	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-71.6	-39	172.3	-71.6	165.1	0	0	0	111.8	M90 A199 I200 N205 I206	M90-L203 HydrophobicContact CE-CB 3.89Å; M90-L203 HydrophobicContact CE-CD1 3.77Å; M90-L203 HydrophobicContact CE-CG 4.48Å; A199-L203 WeakPolarHBondContact O-CG 3.34Å; A199-L203 PolarHBondContact O-N 2.94Å; A199-L203 VanDerWaalsContact O-N 3.12Å; I200-L203 PolarHBondContact O-N 3.13Å; L203-N205 PolarHBondContact O-N 3.44Å; L203-I206 PolarHBondContact O-N 3.42Å
204	Y	38.6	Very low	38.7	Very low	138 Å²	138	112.3 Å²	112.3	54%	0.541	57%	0.569	S	S	.	*	H	α-helix	trans	-63.6	-37.4	176.3	-159	-99.6	0	0	0	113	I200 I206 E207 S208	I200-Y204 PolarHBondContact O-N 3.22Å; Y204-I206 VanDerWaalsContact C-N 3.29Å; Y204-I206 PolarHBondContact O-N 3.1Å; Y204-E207 PolarHBondContact O-N 3.25Å; Y204-S208 PolarHBondContact O-N 3.41Å; Y204-S208 PolarHBondContact O-OG 2.84Å
205	N	38.6	Very low	38	Very low	117 Å²	117	113.8 Å²	113.8	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-73.3	-16.1	176.9	-80	-7.3	0	0	0	114.3	K201 L203	K201-N205 PolarHBondContact O-N 3.05Å; K201-N205 VanDerWaalsContact O-N 3.15Å; L203-N205 PolarHBondContact O-N 3.44Å
206	I	40.1	Very low	37.5	Very low	101 Å²	101	117.2 Å²	117.2	52%	0.518	60%	0.598	S	S	.	*	H	α-helix	trans	-80.2	-32.3	175.4	-67.2	164.9	0	0	0	110.5	K202 L203 Y204 G209 L210	K202-I206 WeakPolarHBondContact O-CD1 3.45Å; K202-I206 WeakPolarHBondContact O-CG1 3.5Å; L203-I206 PolarHBondContact O-N 3.42Å; Y204-I206 VanDerWaalsContact C-N 3.29Å; Y204-I206 PolarHBondContact O-N 3.1Å; I206-G209 PolarHBondContact O-N 3.09Å; I206-L210 HydrophobicContact CG2-CD1 4.49Å
207	E	37.9	Very low	36.7	Very low	73 Å²	73	121 Å²	121	34%	0.341	62%	0.623	S	S	.	*	H	α-helix	trans	-69.2	-39.3	174.3	-80.8	-174.3	147.2	0	0	112.6	Y204 G209 L210	Y204-E207 PolarHBondContact O-N 3.25Å; E207-G209 PolarHBondContact O-N 3.22Å; E207-L210 PolarHBondContact O-N 2.82Å
208	S	39.9	Very low	35.9	Very low	72 Å²	72	125 Å²	125	50%	0.503	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-20.7	177.4	-54	0	0	0	0	113.8	Y204	Y204-S208 PolarHBondContact O-N 3.41Å; Y204-S208 PolarHBondContact O-OG 2.84Å
209	G	35.2	Very low	35.4	Very low	60 Å²	60	126.1 Å²	126.1	62%	0.619	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-10.6	174.4	0	0	0	0	0	114.6	I206 E207	I206-G209 PolarHBondContact O-N 3.09Å; E207-G209 PolarHBondContact O-N 3.22Å
210	L	33.6	Very low	34.9	Very low	144 Å²	144	132.1 Å²	132.1	75%	0.754	68%	0.681	S	S	*	*	S	Bend	trans	-99.6	-1.3	179.6	-82.7	158.8	0	0	0	113.1	I206 E207	I206-L210 HydrophobicContact CG2-CD1 4.49Å; E207-L210 PolarHBondContact O-N 2.82Å
211	Q	31.4	Very low	34	Very low	167 Å²	167	136.8 Å²	136.8	78%	0.78	71%	0.711	S	S	*	*	S	Bend	trans	-95.7	-5.3	-177.2	-153.6	114	5.8	0	0	114
212	Y	31.4	Very low	34.4	Very low	204 Å²	204	134.8 Å²	134.8	80%	0.8	71%	0.712	S	S	*	*	S	Bend	trans	-120	78	175.2	-84.6	-87.9	0	0	0	109.7
213	D	31	Very low	33.6	Very low	161 Å²	161	134.1 Å²	134.1	86%	0.861	72%	0.716	S	S	*	*			trans	-173.9	64.2	156.8	-96.2	-23.1	0	0	0	110.3
214	I	33.3	Very low	33	Very low	163 Å²	163	136.8 Å²	136.8	84%	0.836	73%	0.726	S	S	*	*			trans	-145.4	80.1	158.9	-48.4	177	0	0	0	109.1
215	T	30	Very low	32.5	Very low	143 Å²	143	135.8 Å²	135.8	88%	0.877	73%	0.729	S	S	*	*			trans	-154.6	125.4	148.2	35.8	0	0	0	0	109	D217	T215-D217 PolarHBondContact O-N 3.45Å
216	E	33.1	Very low	31.9	Very low	194 Å²	194	139 Å²	139	91%	0.907	74%	0.738	S	S	*	*			trans	-60	118.9	175.4	-71.9	173.2	126.5	0	0	111.4
217	D	27.4	Very low	31.3	Very low	167 Å²	167	138.5 Å²	138.5	89%	0.893	75%	0.749	S	S	*	*			trans	-168.7	97.3	146	-107.8	-21.1	0	0	0	110.8	T215	T215-D217 PolarHBondContact O-N 3.45Å
218	A	28	Very low	31.2	Very low	104 Å²	104	140.6 Å²	140.6	86%	0.86	77%	0.769	S	S	*	*			trans	174.5	109.8	141	0	0	0	0	0	111.5
219	L	30.3	Very low	30.4	Very low	158 Å²	158	149.1 Å²	149.1	83%	0.827	79%	0.79	S	S	*	*			trans	-59.5	146.5	167.9	-87	141.1	0	0	0	113.9
220	K	29.3	Very low	29.9	Very low	181 Å²	181	152 Å²	152	79%	0.787	80%	0.796	S	S	*	*			trans	82.1	93.5	152	-66.4	168.7	-179.4	178.8	0	120.2
221	T	24.6	Very low	29.6	Very low	131 Å²	131	154.8 Å²	154.8	80%	0.804	80%	0.802	S	S	*	*			trans	9.7	162.6	132.5	49.2	0	0	0	0	122.5
222	P	47.2	Very low	29.3	Very low	99 Å²	99	150.9 Å²	150.9	64%	0.643	80%	0.798	S	S	*	*			cis	-146.1	-174	-22.2	36.5	-14	0	0	0	116.4
223	L	26	Very low	29.3	Very low	142 Å²	142	151.2 Å²	151.2	74%	0.743	80%	0.804	S	S	*	*			trans	86.7	136.3	159.3	-58.3	145.1	0	0	0	116.4
224	Q	26.6	Very low	29.3	Very low	154 Å²	154	149.1 Å²	149.1	72%	0.72	80%	0.799	S	S	*	*			cis	-167.6	143.2	7.6	-132.1	165.7	-0.9	0	0	110.8
225	D	28.1	Very low	28.9	Very low	116 Å²	116	152.5 Å²	152.5	62%	0.62	80%	0.802	S	S	*	*			trans	68.6	112.9	138.1	-81.2	8.6	0	0	0	125.3
226	K	25.4	Very low	28.7	Very low	186 Å²	186	153 Å²	153	81%	0.809	80%	0.797	S	S	*	*				111.2	102.7	122.9	-74.5	171.3	-173.4	173.6	0	119.7
227	A	27	Very low	28.3	Very low	90 Å²	90	149.6 Å²	149.6	74%	0.744	79%	0.79	S	S	*	*			trans	-62	173.5	149.1	0	0	0	0	0	111.4
228	P	35.9	Very low	28.4	Very low	116 Å²	116	146.6 Å²	146.6	75%	0.753	78%	0.782	S	S	*	*			cis	-143.7	167.1	23.4	39.2	-17.3	0	0	0	119
229	W	24.1	Very low	28.3	Very low	251 Å²	251	150.8 Å²	150.8	95%	0.951	78%	0.784	S	S	*	*			trans	-75.6	142.2	165.6	-77.9	41.6	0	0	0	111.8
230	T	24.5	Very low	28.1	Very low	121 Å²	121	146.5 Å²	146.5	74%	0.742	78%	0.778	S	S	*	*			trans	-146.9	133.7	152.5	41.1	0	0	0	0	112
231	K	27.1	Very low	27.9	Very low	202 Å²	202	147 Å²	147	88%	0.878	78%	0.781	S	S	*	*			trans	62.4	150.9	143.1	-65.7	175	179.8	179.5	0	117.7
232	A	25.6	Very low	28	Very low	86 Å²	86	146.5 Å²	146.5	71%	0.711	77%	0.773	S	S	*	*			cis	-176.1	154.7	-15.1	0	0	0	0	0	103.8
233	F	31.2	Very low	27.2	Very low	211 Å²	211	150 Å²	150	93%	0.925	78%	0.78	S	S	*	*			trans	-54.5	154.5	171.5	-91	-93.5	0	0	0	112.8
234	P	30.2	Very low	27.1	Very low	117 Å²	117	152.2 Å²	152.2	76%	0.76	78%	0.784	S	S	*	*			trans	-135.2	144.8	134.1	32.9	-17.8	0	0	0	115.6
235	R	25.7	Very low	27.1	Very low	233 Å²	233	149.8 Å²	149.8	88%	0.879	78%	0.784	S	S	*	*			trans	-56.7	165.2	154.3	-86	174.3	162.5	-178.5	-4.4	111.7
236	I	25.9	Very low	27	Very low	153 Å²	153	153.4 Å²	153.4	79%	0.785	79%	0.794	S	S	*	*			trans	169	110.1	137.6	-88.4	155.4	0	0	0	106.5
237	T	24.9	Very low	27.1	Very low	124 Å²	124	152.1 Å²	152.1	76%	0.761	80%	0.796	S	S	*	*				73.6	142.9	82.1	57.3	0	0	0	0	116.9
238	S	28.5	Very low	27.1	Very low	103 Å²	103	151.8 Å²	151.8	72%	0.72	80%	0.801	S	S	*	*			trans	-54.7	174.4	-173.7	55.7	0	0	0	0	120.5
239	Q	26.7	Very low	26.6	Very low	192 Å²	192	149.8 Å²	149.8	90%	0.897	80%	0.801	S	S	*	*			trans	107.9	132	163.5	-62.8	-177.5	-2	0	0	112.4
240	G	25.7	Very low	26.7	Very low	69 Å²	69	147.4 Å²	147.4	71%	0.711	80%	0.801	S	S	*	*			cis	122.8	124.3	15	0	0	0	0	0	109.8
241	K	25.9	Very low	26.8	Very low	192 Å²	192	151.2 Å²	151.2	84%	0.835	81%	0.807	S	S	*	*			trans	75.6	150.1	165	-65.4	-179.4	176.2	-175	0	117.3
242	D	26.3	Very low	27.3	Very low	119 Å²	119	147 Å²	147	64%	0.636	80%	0.8	S	S	*	*			cis	-164.9	153.9	-1.4	-103.7	-30.1	0	0	0	109.8
243	H	28.8	Very low	27.2	Very low	173 Å²	173	148.2 Å²	148.2	80%	0.801	80%	0.802	S	S	*	*			trans	44	130.1	145.3	-71	-3.4	0	0	0	124.4
244	K	25.5	Very low	27.1	Very low	189 Å²	189	146.6 Å²	146.6	82%	0.822	80%	0.802	S	S	*	*				173.5	133.5	93.4	-112.6	-179.3	177.9	170.1	0	113.9
245	S	26.3	Very low	26.7	Very low	103 Å²	103	144.5 Å²	144.5	72%	0.72	80%	0.803	S	S	*	*			trans	64.2	148.8	136	-59.3	0	0	0	0	120.7
246	K	26.4	Very low	27.2	Very low	191 Å²	191	143 Å²	143	83%	0.83	81%	0.805	S	S	*	*			cis	-177.7	173.4	-19.8	-126.8	-173.3	-177	-176.1	0	106.4
247	D	27.7	Very low	27.3	Very low	160 Å²	160	145.4 Å²	145.4	86%	0.856	81%	0.81	S	S	*	*			trans	78.9	129.8	175.3	-64.2	-12	0	0	0	116.6
248	G	26.4	Very low	27.4	Very low	82 Å²	82	144.8 Å²	144.8	85%	0.845	81%	0.811	S	S	*	*			cis	138.6	125.3	5.9	0	0	0	0	0	109.6
249	G	25	Very low	27.4	Very low	74 Å²	74	147.1 Å²	147.1	76%	0.763	82%	0.815	S	S	*	*			trans	125.5	98.5	157.7	0	0	0	0	0	119.5
250	E	25.6	Very low	27.6	Very low	201 Å²	201	146.4 Å²	146.4	94%	0.939	81%	0.808	S	S	*	*			trans	72.7	136.4	137.2	-56.5	-171.2	155.4	0	0	124
251	K	27.9	Very low	27.9	Very low	202 Å²	202	149.8 Å²	149.8	88%	0.878	81%	0.81	S	S	*	*			trans	-85.2	179.2	175	-67.1	178	170.8	175.2	0	110.7
252	P	37	Very low	28.3	Very low	113 Å²	113	147.9 Å²	147.9	73%	0.734	81%	0.809	S	S	*	*			cis	-145.7	175.3	10.6	37	-13.3	0	0	0	119.1
253	C	22.5	Very low	29.2	Very low	111 Å²	111	147.2 Å²	147.2	75%	0.75	81%	0.805	S	S	*	*			trans	75.1	117.2	146.9	-71.2	0	0	0	0	124.4
254	L	29.3	Very low	30.4	Very low	177 Å²	177	142 Å²	142	93%	0.927	79%	0.788	S	S	*	*			trans	57.2	111.8	132.3	-69.6	163.6	0	0	0	120.9
255	G	23.6	Very low	31.5	Very low	74 Å²	74	137.9 Å²	137.9	76%	0.763	78%	0.78	S	S	*	*			trans	-173.3	115.7	156.4	0	0	0	0	0	111.7
256	Q	35.2	Very low	32.5	Very low	201 Å²	201	141 Å²	141	94%	0.939	78%	0.781	S	S	*	*			trans	-56	136.2	174.7	-70.4	168.6	-50.4	0	0	111.8
257	K	28.4	Very low	33.6	Very low	203 Å²	203	138.5 Å²	138.5	88%	0.883	77%	0.77	S	S	*	*			trans	-145.8	119.2	155.2	-105.2	176.2	-174.1	177.1	0	111.7
258	S	26.9	Very low	34.6	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	76%	0.756	S	S	*	*			trans	-63.6	128.7	172.8	-160.8	0	0	0	0	110.4
259	L	27.4	Very low	35.9	Very low	152 Å²	152	135.6 Å²	135.6	80%	0.796	74%	0.74	S	S	*	*			trans	-85.6	114.3	162.7	-98.2	93.5	0	0	0	109
260	K	31.6	Very low	37.7	Very low	176 Å²	176	137.2 Å²	137.2	77%	0.765	73%	0.73	S	S	*	*			trans	-106.2	115.7	157	-77.9	-177.4	175.8	-178.3	0	105.9	N262	K260-N262 PolarHBondContact O-N 3.17Å
261	D	31.6	Very low	39	Very low	141 Å²	141	132.7 Å²	132.7	75%	0.754	71%	0.712	S	S	*	*			trans	-77.3	98.8	170.8	-70.6	-32.6	0	0	0	109
262	N	34.6	Very low	40.3	Very low	152 Å²	152	128.2 Å²	128.2	81%	0.813	70%	0.697	S	S	*	*			trans	-84.9	113.1	169.7	-88.8	-32	0	0	0	109.2	K260	K260-N262 PolarHBondContact O-N 3.17Å
263	I	44.8	Very low	41.7	Very low	105 Å²	105	128.7 Å²	128.7	54%	0.538	69%	0.689	S	S	.	*			trans	-71	129.6	169.1	-64	171.2	0	0	0	108.2	K267 Q268	I263-K267 HydrophobicContact CG2-CB 3.65Å; I263-K267 HydrophobicContact CG2-CD 4.29Å; I263-Q268 HydrophobicContact CG2-CG 4.38Å
264	S	55.7	Low	43.7	Very low	63 Å²	63	129 Å²	129	44%	0.441	68%	0.679	S	S	.	*			trans	-55.7	138.7	179.9	166.8	0	0	0	0	112	K266 K267 Q268	S264-K266 PolarHBondContact O-N 3.27Å; S264-K266 PolarHBondContact OG-N 3.1Å; S264-K267 WeakPolarHBondContact O-CB 3.43Å; S264-K267 PolarHBondContact O-N 3.46Å; S264-Q268 PolarHBondContact O-N 2.84Å
265	P	48.3	Very low	45.1	Very low	103 Å²	103	124 Å²	124	67%	0.669	66%	0.657	S	S	*	*	H	α-helix	trans	-53.4	-30	178.3	-25.1	32.2	0	0	0	113.6	K267 Q268 A269	P265-K267 VanDerWaalsContact C-N 3.35Å; P265-K267 PolarHBondContact O-N 3.41Å; P265-Q268 PolarHBondContact O-N 3.15Å; P265-A269 PolarHBondContact O-N 3.13Å; P265-A269 VanDerWaalsContact O-N 3.1Å
266	K	47.4	Very low	46.7	Very low	167 Å²	167	125.1 Å²	125.1	73%	0.726	64%	0.642	S	S	*	*	H	α-helix	trans	-67.3	-32.4	176.2	-69.8	-174.5	176.1	-176.5	0	113	S264 L270	S264-K266 PolarHBondContact O-N 3.27Å; S264-K266 PolarHBondContact OG-N 3.1Å; K266-L270 WeakPolarHBondContact O-CG 3.48Å; K266-L270 PolarHBondContact O-N 3.19Å
267	K	49	Very low	48.5	Very low	139 Å²	139	121.1 Å²	121.1	60%	0.604	62%	0.621	S	S	*	*	H	α-helix	trans	-74.3	-32.4	175.1	-101.4	-176.1	175.4	-178	0	112.1	I263 S264 P265 L271	I263-K267 HydrophobicContact CG2-CB 3.65Å; I263-K267 HydrophobicContact CG2-CD 4.29Å; S264-K267 WeakPolarHBondContact O-CB 3.43Å; S264-K267 PolarHBondContact O-N 3.46Å; P265-K267 VanDerWaalsContact C-N 3.35Å; P265-K267 PolarHBondContact O-N 3.41Å; K267-L271 WeakPolarHBondContact O-CB 3.24Å; K267-L271 WeakPolarHBondContact O-CD1 3.34Å; K267-L271 WeakPolarHBondContact O-CG 3.38Å; K267-L271 PolarHBondContact O-N 3.25Å; K267-L271 VanDerWaalsContact O-N 3.13Å
268	Q	47.5	Very low	49.6	Very low	122 Å²	122	115.6 Å²	115.6	57%	0.57	60%	0.601	S	S	*	*	H	α-helix	trans	-70.4	-38.3	175	-77.7	178.1	-15.4	0	0	112	I263 S264 P265 L272	I263-Q268 HydrophobicContact CG2-CG 4.38Å; S264-Q268 PolarHBondContact O-N 2.84Å; P265-Q268 PolarHBondContact O-N 3.15Å; Q268-L272 WeakPolarHBondContact O-CB 3.12Å; Q268-L272 PolarHBondContact O-N 3.34Å
269	A	55.7	Low	50.6	Low	60 Å²	60	114.8 Å²	114.8	50%	0.496	59%	0.588	S	S	.	*	H	α-helix	trans	-65.5	-45.5	175.8	0	0	0	0	0	112.4	P265 L271 L272 E273	P265-A269 PolarHBondContact O-N 3.13Å; P265-A269 VanDerWaalsContact O-N 3.1Å; A269-L271 PolarHBondContact O-N 3.41Å; A269-L272 PolarHBondContact O-N 3.47Å; A269-E273 PolarHBondContact O-N 3.33Å
270	L	62.6	Low	52.2	Low	107 Å²	107	114.4 Å²	114.4	56%	0.56	58%	0.576	S	S	*	*	H	α-helix	trans	-62.6	-40.1	176.9	-76.8	165.2	0	0	0	112.4	K266 L272 E273 E274	K266-L270 WeakPolarHBondContact O-CG 3.48Å; K266-L270 PolarHBondContact O-N 3.19Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 PolarHBondContact O-N 2.85Å; L270-E273 PolarHBondContact O-N 2.96Å; L270-E274 WeakPolarHBondContact O-CB 3.48Å; L270-E274 PolarHBondContact O-N 3.05Å
271	L	51.7	Low	53.9	Low	107 Å²	107	109.6 Å²	109.6	56%	0.56	56%	0.556	S	S	*	*	H	α-helix	trans	-65.9	-35.4	175.6	-81.3	166	0	0	0	112.5	K267 A269 V275	K267-L271 WeakPolarHBondContact O-CB 3.24Å; K267-L271 WeakPolarHBondContact O-CD1 3.34Å; K267-L271 WeakPolarHBondContact O-CG 3.38Å; K267-L271 PolarHBondContact O-N 3.25Å; K267-L271 VanDerWaalsContact O-N 3.13Å; A269-L271 PolarHBondContact O-N 3.41Å; L271-V275 WeakPolarHBondContact O-CB 3.43Å; L271-V275 WeakPolarHBondContact O-CG2 3.47Å; L271-V275 PolarHBondContact O-N 3.35Å; L271-V275 VanDerWaalsContact O-N 3.08Å
272	L	55.4	Low	54.7	Low	107 Å²	107	107.2 Å²	107.2	56%	0.56	54%	0.543	S	S	*	.	H	α-helix	trans	-69.7	-37.9	177.8	-165.2	70.6	0	0	0	111.5	Q268 A269 L270 V275 Q276	Q268-L272 WeakPolarHBondContact O-CB 3.12Å; Q268-L272 PolarHBondContact O-N 3.34Å; A269-L272 PolarHBondContact O-N 3.47Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 PolarHBondContact O-N 2.85Å; L272-V275 PolarHBondContact O-N 2.74Å; L272-Q276 VanDerWaalsContact O-CG 3.32Å; L272-Q276 WeakPolarHBondContact O-CG 3.18Å; L272-Q276 PolarHBondContact O-N 3.35Å
273	E	66.4	Low	55.6	Low	123 Å²	123	104.8 Å²	104.8	58%	0.575	53%	0.534	S	S	*	.	H	α-helix	trans	-68.2	-40.4	177.3	-163.3	170.8	-164.5	0	0	111.9	A269 L270 Q276 K277	A269-E273 PolarHBondContact O-N 3.33Å; L270-E273 PolarHBondContact O-N 2.96Å; E273-Q276 PolarHBondContact O-N 3.12Å; E273-K277 WeakPolarHBondContact O-CB 3.46Å; E273-K277 PolarHBondContact O-N 2.81Å
274	E	64.7	Low	56.4	Low	117 Å²	117	106.2 Å²	106.2	55%	0.547	54%	0.538	S	S	.	.	H	α-helix	trans	-64.4	-41.3	174.7	-161.8	108.5	-142.2	0	0	112	L270 K277 L278	L270-E274 WeakPolarHBondContact O-CB 3.48Å; L270-E274 PolarHBondContact O-N 3.05Å; E274-K277 PolarHBondContact O-N 3.38Å; E274-L278 HydrophobicContact CG-CD1 4.44Å; E274-L278 WeakPolarHBondContact O-CG 3.47Å; E274-L278 PolarHBondContact O-N 2.84Å
275	V	58.6	Low	56.3	Low	74 Å²	74	109.5 Å²	109.5	45%	0.448	55%	0.545	S	S	.	.	H	α-helix	trans	-65.9	-39.4	176.5	168.4	0	0	0	0	111.5	L271 L272 L278 N279	L271-V275 WeakPolarHBondContact O-CB 3.43Å; L271-V275 WeakPolarHBondContact O-CG2 3.47Å; L271-V275 PolarHBondContact O-N 3.35Å; L271-V275 VanDerWaalsContact O-N 3.08Å; L272-V275 PolarHBondContact O-N 2.74Å; V275-L278 PolarHBondContact O-N 3.3Å; V275-N279 WeakPolarHBondContact O-CB 3.37Å; V275-N279 PolarHBondContact O-N 2.95Å; V275-N279 PolarHBondContact O-ND2 2.99Å
276	Q	58.3	Low	56.1	Low	97 Å²	97	109.3 Å²	109.3	45%	0.453	54%	0.542	S	S	.	.	H	α-helix	trans	-68.8	-34.3	176.2	-73.7	178	-3.6	0	0	112.5	L272 E273 R280	L272-Q276 VanDerWaalsContact O-CG 3.32Å; L272-Q276 WeakPolarHBondContact O-CG 3.18Å; L272-Q276 PolarHBondContact O-N 3.35Å; E273-Q276 PolarHBondContact O-N 3.12Å; Q276-R280 PolarHBondContact O-N 3.49Å
277	K	71.8	Confident	56	Low	116 Å²	116	103.2 Å²	103.2	50%	0.504	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-47.6	173	-172.9	-177.3	173.9	-168.5	0	111.5	E273 E274 N279 R280 E281	E273-K277 WeakPolarHBondContact O-CB 3.46Å; E273-K277 PolarHBondContact O-N 2.81Å; E274-K277 PolarHBondContact O-N 3.38Å; K277-N279 VanDerWaalsContact C-N 3.31Å; K277-N279 PolarHBondContact O-N 3.46Å; K277-R280 PolarHBondContact O-N 3.32Å; K277-E281 VanDerWaalsContact CE-OE1 3.25Å; K277-E281 WeakPolarHBondContact CE-OE1 3.15Å; K277-E281 PolarHBondContact O-N 3.03Å
278	L	50.8	Low	55.8	Low	87 Å²	87	103.2 Å²	103.2	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-34.3	178.4	-73.5	165.3	0	0	0	112.9	E274 V275 N282	E274-L278 HydrophobicContact CG-CD1 4.44Å; E274-L278 WeakPolarHBondContact O-CG 3.47Å; E274-L278 PolarHBondContact O-N 2.84Å; V275-L278 PolarHBondContact O-N 3.3Å; L278-N282 WeakPolarHBondContact O-CB 3.35Å; L278-N282 PolarHBondContact O-N 3.02Å; L278-N282 PolarHBondContact O-ND2 3.3Å
279	N	49.6	Very low	55.5	Low	95 Å²	95	103.4 Å²	103.4	51%	0.508	53%	0.533	S	S	.	.	H	α-helix	trans	-70.1	-34.5	175.4	-76.4	-21.7	0	0	0	112.9	V275 K277 T283	V275-N279 WeakPolarHBondContact O-CB 3.37Å; V275-N279 PolarHBondContact O-N 2.95Å; V275-N279 PolarHBondContact O-ND2 2.99Å; K277-N279 VanDerWaalsContact C-N 3.31Å; K277-N279 PolarHBondContact O-N 3.46Å; N279-T283 PolarHBondContact O-N 2.96Å; N279-T283 VanDerWaalsContact O-N 3.14Å; N279-T283 PolarHBondContact O-OG1 3.24Å
280	R	60.4	Low	54.6	Low	145 Å²	145	108 Å²	108	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-66.6	-47.8	173.1	-80.2	-176.1	-79.3	-109	-0.9	111.6	Q276 K277 N282 T283 E284	Q276-R280 PolarHBondContact O-N 3.49Å; K277-R280 PolarHBondContact O-N 3.32Å; R280-N282 VanDerWaalsContact C-N 3.28Å; R280-N282 PolarHBondContact O-N 3.47Å; R280-T283 PolarHBondContact O-N 3.1Å; R280-T283 VanDerWaalsContact O-N 3.08Å; R280-E284 PolarHBondContact O-N 3.31Å
281	E	67.3	Low	53.5	Low	75 Å²	75	109.5 Å²	109.5	35%	0.35	55%	0.55	S	S	.	.	H	α-helix	trans	-60.9	-35.5	177.9	-70.9	177.2	-169.3	0	0	112.6	K277 K285	K277-E281 VanDerWaalsContact CE-OE1 3.25Å; K277-E281 WeakPolarHBondContact CE-OE1 3.15Å; K277-E281 PolarHBondContact O-N 3.03Å; E281-K285 WeakPolarHBondContact O-CB 3.31Å; E281-K285 WeakPolarHBondContact O-CG 3.45Å; E281-K285 PolarHBondContact O-N 3.22Å; E281-K285 VanDerWaalsContact O-N 3.08Å
282	N	48.1	Very low	52.6	Low	90 Å²	90	112.1 Å²	112.1	48%	0.481	56%	0.559	S	S	.	*	H	α-helix	trans	-72.5	-31.6	175.7	-77.1	-21.3	0	0	0	113.1	L278 R280 T286	L278-N282 WeakPolarHBondContact O-CB 3.35Å; L278-N282 PolarHBondContact O-N 3.02Å; L278-N282 PolarHBondContact O-ND2 3.3Å; R280-N282 VanDerWaalsContact C-N 3.28Å; R280-N282 PolarHBondContact O-N 3.47Å; N282-T286 WeakPolarHBondContact O-CB 3.41Å; N282-T286 PolarHBondContact O-N 3.45Å; N282-T286 VanDerWaalsContact O-N 3.07Å; N282-T286 PolarHBondContact O-OG1 3.07Å
283	T	54.7	Low	51.8	Low	102 Å²	102	113.5 Å²	113.5	63%	0.626	57%	0.567	S	S	*	*	H	α-helix	trans	-71.1	-39.9	177	-52.2	0	0	0	0	110.7	N279 R280 T286 G287	N279-T283 PolarHBondContact O-N 2.96Å; N279-T283 VanDerWaalsContact O-N 3.14Å; N279-T283 PolarHBondContact O-OG1 3.24Å; R280-T283 PolarHBondContact O-N 3.1Å; R280-T283 VanDerWaalsContact O-N 3.08Å; T283-T286 PolarHBondContact O-N 3.05Å; T283-G287 PolarHBondContact O-N 3.46Å
284	E	60.9	Low	50.2	Low	134 Å²	134	114.2 Å²	114.2	63%	0.626	57%	0.574	S	S	*	*	H	α-helix	trans	-66.9	-41	175.6	-70.3	171.7	-174.5	0	0	112.5	R280 T286 G287 Q288	R280-E284 PolarHBondContact O-N 3.31Å; E284-T286 VanDerWaalsContact C-N 3.33Å; E284-T286 PolarHBondContact O-N 2.99Å; E284-G287 PolarHBondContact O-N 3.32Å; E284-Q288 PolarHBondContact O-N 3.01Å
285	K	53.7	Low	48.8	Very low	133 Å²	133	115.9 Å²	115.9	58%	0.578	59%	0.586	S	S	*	*	H	α-helix	trans	-65.5	-34.5	174.4	-78.1	177.1	-179.3	171.2	0	113.1	E281 L289	E281-K285 WeakPolarHBondContact O-CB 3.31Å; E281-K285 WeakPolarHBondContact O-CG 3.45Å; E281-K285 PolarHBondContact O-N 3.22Å; E281-K285 VanDerWaalsContact O-N 3.08Å; K285-L289 PolarHBondContact O-N 3.34Å
286	T	44.6	Very low	47.7	Very low	98 Å²	98	121.2 Å²	121.2	60%	0.601	61%	0.606	S	S	*	*	H	α-helix	trans	-72.6	-34.4	177.1	-50.7	0	0	0	0	111.1	N282 T283 E284 F290	N282-T286 WeakPolarHBondContact O-CB 3.41Å; N282-T286 PolarHBondContact O-N 3.45Å; N282-T286 VanDerWaalsContact O-N 3.07Å; N282-T286 PolarHBondContact O-OG1 3.07Å; T283-T286 PolarHBondContact O-N 3.05Å; E284-T286 VanDerWaalsContact C-N 3.33Å; E284-T286 PolarHBondContact O-N 2.99Å; T286-F290 PolarHBondContact O-N 3.05Å
287	G	44.2	Very low	46.5	Very low	39 Å²	39	122.2 Å²	122.2	40%	0.402	62%	0.624	S	S	.	*	H	α-helix	trans	-68.6	-37.6	173.5	0	0	0	0	0	114	T283 E284 F290	T283-G287 PolarHBondContact O-N 3.46Å; E284-G287 PolarHBondContact O-N 3.32Å; G287-F290 PolarHBondContact O-N 2.96Å
288	Q	44.9	Very low	44.5	Very low	139 Å²	139	120.6 Å²	120.6	65%	0.65	64%	0.64	S	S	*	*	H	α-helix	trans	-69.6	-32.6	175.1	-83	-179.3	-7.3	0	0	113.2	E284 F290 L291	E284-Q288 PolarHBondContact O-N 3.01Å; Q288-F290 VanDerWaalsContact C-N 3.25Å; Q288-F290 PolarHBondContact O-N 3.35Å; Q288-L291 PolarHBondContact O-N 2.89Å
289	L	41.9	Very low	43.4	Very low	126 Å²	126	123.3 Å²	123.3	66%	0.66	66%	0.66	S	S	*	*	H	α-helix	trans	-68.5	-26.2	176.5	-140.3	82.2	0	0	0	112.5	K285	K285-L289 PolarHBondContact O-N 3.34Å
290	F	36.7	Very low	42.4	Very low	158 Å²	158	125.2 Å²	125.2	69%	0.693	68%	0.675	S	S	*	*	H	α-helix	trans	-79.6	-29.3	-179	-143.1	-91.8	0	0	0	112.7	T286 G287 Q288	T286-F290 PolarHBondContact O-N 3.05Å; G287-F290 PolarHBondContact O-N 2.96Å; Q288-F290 VanDerWaalsContact C-N 3.25Å; Q288-F290 PolarHBondContact O-N 3.35Å
291	L	38.2	Very low	41.4	Very low	137 Å²	137	123.8 Å²	123.8	72%	0.717	69%	0.685	S	S	*	*	H	α-helix	trans	-81.4	-13.5	178.4	-75.2	166.2	0	0	0	113.9	Q288	Q288-L291 PolarHBondContact O-N 2.89Å
292	Q	34.2	Very low	39.4	Very low	162 Å²	162	129.1 Å²	129.1	76%	0.757	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-7.1	-177.4	-159.5	153.6	-8.3	0	0	113.4
293	L	38.4	Very low	38.4	Very low	137 Å²	137	131.5 Å²	131.5	72%	0.717	72%	0.719	S	S	*	*	S	Bend	trans	-92.5	-8.8	179	-78.1	160.3	0	0	0	113.9
294	D	32.6	Very low	37.1	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	73%	0.733	S	S	*	*	S	Bend	trans	-98.6	7.3	-176.5	-79.7	-18.4	0	0	0	114.9
295	L	36	Very low	35.4	Very low	153 Å²	153	138.3 Å²	138.3	80%	0.801	74%	0.744	S	S	*	*	S	Bend	trans	-111.4	4.1	-176.8	-98.7	146.5	0	0	0	115.6
296	E	35.3	Very low	35	Very low	185 Å²	185	137 Å²	137	86%	0.864	75%	0.749	S	S	*	*	S	Bend	trans	-123.5	72.7	175.9	-72.2	-169.7	169.4	0	0	112.5
297	S	32.7	Very low	34.1	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	76%	0.764	S	S	*	*			trans	-163.7	78	149.5	38.1	0	0	0	0	110.5	V299	S297-V299 PolarHBondContact O-N 3.43Å
298	G	30.1	Very low	33.4	Very low	81 Å²	81	144.4 Å²	144.4	84%	0.835	78%	0.783	S	S	*	*			trans	-77.4	110.7	169.9	0	0	0	0	0	111.7
299	V	27.6	Very low	32.8	Very low	145 Å²	145	143.7 Å²	143.7	88%	0.879	79%	0.791	S	S	*	*			trans	-142.8	127	153	-175.1	0	0	0	0	108.9	S297	S297-V299 PolarHBondContact O-N 3.43Å
300	T	27.3	Very low	32	Very low	134 Å²	134	144.3 Å²	144.3	82%	0.822	80%	0.8	S	S	*	*			trans	-98.2	162.4	-177.7	44.6	0	0	0	0	113.1
301	P	40.4	Very low	31.5	Very low	116 Å²	116	143.1 Å²	143.1	75%	0.753	81%	0.81	S	S	*	*			trans	-115	163.1	-154	39.9	-29.2	0	0	0	115.3
302	K	25	Very low	31.1	Very low	187 Å²	187	144.1 Å²	144.1	81%	0.813	82%	0.815	S	S	*	*			trans	-156.3	120.6	147.5	-76.2	-155	176.8	179.7	0	113.4
303	D	27.5	Very low	31	Very low	139 Å²	139	144.4 Å²	144.4	74%	0.743	82%	0.821	S	S	*	*			trans	56.6	126.4	131.4	-54.9	-23.4	0	0	0	119.2
304	E	26.3	Very low	30.6	Very low	195 Å²	195	144 Å²	144	91%	0.911	83%	0.825	S	S	*	*			cis	-156.4	158.7	26.1	-92.3	165.2	161.7	0	0	111.9
305	Q	25.6	Very low	30.3	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	83%	0.828	S	S	*	*			trans	-89.8	-174.4	178.8	-92.1	-159.8	-17.4	0	0	113.7
306	P	45.2	Very low	29.8	Very low	104 Å²	104	148.7 Å²	148.7	68%	0.675	83%	0.834	S	S	*	*			cis	-136.2	170	-17.6	23.9	-0.5	0	0	0	114.8
307	E	25.4	Very low	29.5	Very low	195 Å²	195	146 Å²	146	91%	0.911	83%	0.831	S	S	*	*				-176.2	129.7	123.8	-100.3	-172	-161.5	0	0	115
308	A	29.9	Very low	29.3	Very low	98 Å²	98	149 Å²	149	81%	0.81	83%	0.831	S	S	*	*			trans	80.7	141.5	159.6	0	0	0	0	0	121.6
309	P	32	Very low	29.1	Very low	125 Å²	125	153.8 Å²	153.8	81%	0.812	83%	0.831	S	S	*	*			trans	-106.5	133.7	-141.3	36.5	-26.9	0	0	0	114.6
310	T	25.8	Very low	28.9	Very low	139 Å²	139	153.6 Å²	153.6	85%	0.853	83%	0.826	S	S	*	*			trans	-90	139.1	149.9	48.5	0	0	0	0	108.8
311	C	26.9	Very low	28.9	Very low	133 Å²	133	152.7 Å²	152.7	90%	0.899	83%	0.825	S	S	*	*			trans	-137.4	135.5	157	-147.4	0	0	0	0	111.6
312	N	28.3	Very low	28.1	Very low	157 Å²	157	156.2 Å²	156.2	84%	0.84	83%	0.831	S	S	*	*			trans	-78.9	159.9	-173.5	-84.5	-38	0	0	0	112.8	V314	N312-V314 PolarHBondContact O-N 2.93Å
313	L	32.6	Very low	28.9	Very low	168 Å²	168	152.5 Å²	152.5	88%	0.88	83%	0.826	S	S	*	*	S	Bend	trans	-57.4	106.4	168.3	-168.5	79.7	0	0	0	112.8
314	V	30.8	Very low	28.8	Very low	130 Å²	130	150.3 Å²	150.3	79%	0.788	83%	0.827	S	S	*	*			trans	-173.5	149.4	138.2	-98.2	0	0	0	0	108.6	N312	N312-V314 PolarHBondContact O-N 2.93Å
315	D	25.8	Very low	28.8	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	83%	0.825	S	S	*	*			trans	84.2	95.2	-176.4	-57.7	-23.7	0	0	0	117
316	Y	26	Very low	28.9	Very low	236 Å²	236	143.6 Å²	143.6	93%	0.925	82%	0.822	S	S	*	*			trans	-172.3	80.4	130.2	-106.1	-76.5	0	0	0	109.3
317	V	27.3	Very low	28	Very low	130 Å²	130	147.7 Å²	147.7	79%	0.788	83%	0.832	S	S	*	*			trans	-145.4	104.1	144.5	-172.9	0	0	0	0	106
318	H	28.8	Very low	28.1	Very low	182 Å²	182	147 Å²	147	84%	0.843	83%	0.829	S	S	*	*			trans	-176.6	117.4	136.6	-96	-55.6	0	0	0	111.6
319	E	25.6	Very low	27.9	Very low	180 Å²	180	154.5 Å²	154.5	84%	0.841	84%	0.836	S	S	*	*			trans	166.7	123	137.5	-91.6	178.8	-176.7	0	0	104.5
320	D	24.8	Very low	27.6	Very low	142 Å²	142	157.5 Å²	157.5	76%	0.759	84%	0.839	S	S	*	*	S	Bend	cis	-143.1	146.2	24.5	-84.1	-44.6	0	0	0	110.9
321	S	26.7	Very low	27.7	Very low	115 Å²	115	155.5 Å²	155.5	80%	0.804	84%	0.837	S	S	*	*			trans	150.7	102.6	137.2	-70.9	0	0	0	0	110
322	Q	24.8	Very low	27.7	Very low	189 Å²	189	154.1 Å²	154.1	88%	0.883	84%	0.835	S	S	*	*			trans	-172	165.7	155.7	-95.7	-153.4	12.5	0	0	108.4
323	P	41.4	Very low	27.5	Very low	110 Å²	110	150 Å²	150	71%	0.714	83%	0.829	S	S	*	*				-137.2	179.4	-68.4	33.1	-10.9	0	0	0	111.6
324	A	24.8	Very low	27.2	Very low	93 Å²	93	148 Å²	148	77%	0.769	82%	0.824	S	S	*	*			trans	-156.7	107.5	157.6	0	0	0	0	0	108.6
325	V	26.2	Very low	27	Very low	141 Å²	141	148.2 Å²	148.2	86%	0.855	82%	0.819	S	S	*	*				57.9	119.2	90.8	-169.1	0	0	0	0	113.8
326	A	27	Very low	27.1	Very low	97 Å²	97	148.7 Å²	148.7	80%	0.802	82%	0.816	S	S	*	*			trans	-89.9	135.6	169.8	0	0	0	0	0	110.7
327	E	27.1	Very low	27.1	Very low	191 Å²	191	145 Å²	145	89%	0.893	81%	0.808	S	S	*	*			trans	-157.8	150.2	147.9	-130.4	178.9	-165.7	0	0	110.8
328	E	26.8	Very low	27	Very low	181 Å²	181	147 Å²	147	85%	0.846	81%	0.809	S	S	*	*			trans	-63.4	151.5	-167.1	-62.6	170.1	134.3	0	0	115.9
329	R	27.2	Very low	26.8	Very low	254 Å²	254	144.6 Å²	144.6	96%	0.958	80%	0.801	S	S	*	*				-173.6	150.5	127	-101	167.3	-169.5	-163.2	4	113.5
330	E	25.6	Very low	26.9	Very low	189 Å²	189	144 Å²	144	88%	0.883	80%	0.798	S	S	*	*			trans	-70.9	161.4	-166.9	-59.5	174.4	126.1	0	0	116.9
331	A	26.8	Very low	27	Very low	97 Å²	97	144.3 Å²	144.3	80%	0.802	80%	0.795	S	S	*	*			trans	112.1	129.7	130.5	0	0	0	0	0	119.2
332	A	27.1	Very low	27	Very low	104 Å²	104	146.1 Å²	146.1	86%	0.86	79%	0.79	S	S	*	*			trans	83.7	100.5	148.4	0	0	0	0	0	119.9
333	G	25.1	Very low	27.1	Very low	69 Å²	69	143.9 Å²	143.9	71%	0.711	78%	0.78	S	S	*	*				109.7	125.7	99.8	0	0	0	0	0	119
334	V	26	Very low	26.3	Very low	128 Å²	128	143.9 Å²	143.9	78%	0.776	78%	0.778	S	S	*	*			trans	81.8	102.3	140.6	-173.3	0	0	0	0	115.4
335	I	26.4	Very low	26.3	Very low	134 Å²	134	148.1 Å²	148.1	69%	0.687	78%	0.779	S	S	*	*				68.5	128.8	88.4	-60.5	159.4	0	0	0	110.1
336	E	26.9	Very low	26.3	Very low	160 Å²	160	146.7 Å²	146.7	75%	0.748	77%	0.77	S	S	*	*			cis	-162.8	134.9	37.7	-126	143.9	-139.5	0	0	105.3
337	E	26	Very low	26.1	Very low	160 Å²	160	151 Å²	151	75%	0.748	77%	0.771	S	S	*	*				71.6	122.9	80.3	-144.6	176.6	-132.2	0	0	115.3
338	Q	25.3	Very low	26.1	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	76%	0.761	S	S	*	*			trans	165.5	103.1	138.1	-87.8	172.7	27.3	0	0	109.6
339	I	25.9	Very low	26	Very low	131 Å²	131	143.6 Å²	143.6	67%	0.672	76%	0.76	S	S	*	*				72.9	103.6	92.2	-66.3	172.2	0	0	0	110.8
340	E	26.4	Very low	26.6	Very low	166 Å²	166	136.8 Å²	136.8	78%	0.776	75%	0.748	S	S	*	*				71.7	120.5	93.6	-123.5	169.3	-146.4	0	0	110.3
341	E	27.4	Very low	26.7	Very low	150 Å²	150	133.3 Å²	133.3	70%	0.701	74%	0.74	S	S	*	*				177.4	139.4	77.8	-102.4	176.2	174.4	0	0	110
342	E	26.7	Very low	26.7	Very low	152 Å²	152	135.3 Å²	135.3	71%	0.71	74%	0.737	S	S	*	*				55.6	150.5	128.8	-65.4	-165	159.8	0	0	122
343	E	27.7	Very low	26.8	Very low	143 Å²	143	137.5 Å²	137.5	67%	0.668	73%	0.734	S	S	*	*			cis	-164.8	154.4	7.9	-124.8	-173.1	165.7	0	0	109.8
344	T	23.9	Very low	26.8	Very low	109 Å²	109	140.1 Å²	140.1	67%	0.669	74%	0.736	S	S	*	*			trans	24.8	126.2	143.8	63.2	0	0	0	0	122.4
345	K	24.8	Very low	26.8	Very low	183 Å²	183	139.3 Å²	139.3	80%	0.796	73%	0.731	S	S	*	*				91.8	138.7	65.2	-156.4	-167.5	-174.5	173.9	0	113.7
346	V	26.5	Very low	26.8	Very low	110 Å²	110	140.2 Å²	140.2	67%	0.667	73%	0.732	S	S	*	*			trans	121.2	102.9	140.9	-171.7	0	0	0	0	118
347	K	23.8	Very low	26.7	Very low	187 Å²	187	141 Å²	141	81%	0.813	73%	0.733	S	S	*	*				45.9	127.8	122.2	-58.8	-176.1	171.5	-177.9	0	124
348	A	25.6	Very low	26.7	Very low	83 Å²	83	143.3 Å²	143.3	69%	0.686	74%	0.741	S	S	*	*				79.6	116.4	115.5	0	0	0	0	0	123.5
349	V	25.1	Very low	26.7	Very low	135 Å²	135	139.9 Å²	139.9	82%	0.818	74%	0.742	S	S	*	*			trans	48	154.9	131.5	-137.5	0	0	0	0	117.7
350	P	39.6	Very low	26.7	Very low	110 Å²	110	138 Å²	138	71%	0.714	75%	0.745	S	S	*	*			cis	-158.1	-173.6	31	34.5	-4.7	0	0	0	120.9
351	V	28.9	Very low	26.6	Very low	117 Å²	117	139.3 Å²	139.3	71%	0.709	75%	0.752	S	S	*	*			trans	98.2	116.9	143.5	-161.7	0	0	0	0	123.9
352	D	26.2	Very low	26.5	Very low	139 Å²	139	141.8 Å²	141.8	74%	0.743	76%	0.763	S	S	*	*			trans	32.6	136.5	136	-50.3	-31.1	0	0	0	126.8
353	D	27.8	Very low	26.5	Very low	150 Å²	150	143.5 Å²	143.5	80%	0.802	77%	0.771	S	S	*	*				171.5	116.1	115.4	-94.6	-26.8	0	0	0	110.3
354	V	26.6	Very low	26.2	Very low	124 Å²	124	145.8 Å²	145.8	75%	0.752	78%	0.779	S	S	*	*				84.2	125.7	80.2	-178.6	0	0	0	0	114.6
355	V	26.5	Very low	26.7	Very low	110 Å²	110	145.7 Å²	145.7	67%	0.667	78%	0.78	S	S	*	*			trans	105.6	106.9	152.6	-166.8	0	0	0	0	122.1
356	Q	25.8	Very low	26.5	Very low	153 Å²	153	146.1 Å²	146.1	72%	0.715	78%	0.782	S	S	*	*			trans	72.1	128.7	133	-65.7	173.4	8	0	0	125.8
357	K	24.8	Very low	26.4	Very low	178 Å²	178	147.1 Å²	147.1	77%	0.774	79%	0.788	S	S	*	*				52.8	118.9	128.7	-64	175.6	175.5	175.9	0	118.9
358	K	25	Very low	26.9	Very low	208 Å²	208	143.6 Å²	143.6	90%	0.904	79%	0.785	S	S	*	*				179.8	146.9	103.4	-102.1	175.1	176.2	-179.9	0	112
359	A	25	Very low	26.9	Very low	99 Å²	99	147.7 Å²	147.7	82%	0.818	79%	0.789	S	S	*	*			trans	-84.3	152.7	169.4	0	0	0	0	0	111.6
360	A	26.4	Very low	26.9	Very low	91 Å²	91	149 Å²	149	75%	0.752	79%	0.786	S	S	*	*			trans	164.7	113	145.7	0	0	0	0	0	106.6
361	E	25.4	Very low	26.1	Very low	194 Å²	194	151.6 Å²	151.6	91%	0.907	79%	0.789	S	S	*	*				49.4	106.4	85.6	-90.3	-175.4	169.2	0	0	113.9
362	E	25.5	Very low	25.8	Very low	203 Å²	203	153.4 Å²	153.4	95%	0.949	79%	0.79	S	S	*	*			trans	-135.6	109.3	156.7	-84.8	-170.5	159.5	0	0	109.9
363	E	24.9	Very low	25.7	Very low	187 Å²	187	155.6 Å²	155.6	87%	0.874	79%	0.793	S	S	*	*			trans	-86.7	139	152.8	-86.6	-168.1	127.6	0	0	109.6
364	K	21.9	Very low	25.6	Very low	192 Å²	192	157.5 Å²	157.5	84%	0.835	80%	0.797	S	S	*	*			trans	20.3	151.3	142.7	-85.5	179.9	175.6	173.9	0	119.6
365	P	34.1	Very low	25.5	Very low	107 Å²	107	159 Å²	159	70%	0.695	80%	0.801	S	S	*	*			cis	-162.6	-172	47.2	39.7	-14.9	0	0	0	118.7
366	K	21.6	Very low	25.5	Very low	191 Å²	191	161.9 Å²	161.9	83%	0.83	81%	0.811	S	S	*	*			trans	84.1	108.9	146.8	-84.5	174.8	177.6	179	0	123.4
367	V	24.8	Very low	25.6	Very low	131 Å²	131	159.6 Å²	159.6	79%	0.794	81%	0.811	S	S	*	*				17.8	136.6	114.7	-168.8	0	0	0	0	116.8
368	P	33.6	Very low	25.7	Very low	114 Å²	114	156.2 Å²	156.2	74%	0.74	82%	0.817	S	S	*	*				-157.2	163.8	65	40.7	-17.1	0	0	0	122.1
369	E	24.9	Very low	25.7	Very low	168 Å²	168	151.8 Å²	151.8	79%	0.785	81%	0.812	S	S	*	*			trans	27.7	136.3	143.5	-72.6	175	165	0	0	126.8
370	E	25.1	Very low	25.8	Very low	162 Å²	162	156 Å²	156	76%	0.757	82%	0.815	S	S	*	*			trans	55.9	125.1	137.9	-62.5	-170.2	156.7	0	0	123.6
371	Q	23.3	Very low	25.7	Very low	166 Å²	166	159.7 Å²	159.7	78%	0.776	82%	0.817	S	S	*	*				167.7	126.2	104.3	-87.3	-176.4	8.6	0	0	114.3
372	Q	23.7	Very low	25.7	Very low	155 Å²	155	158.3 Å²	158.3	72%	0.724	81%	0.81	S	S	*	*			trans	53.5	140.2	132.9	-76.3	-173.5	15.6	0	0	126.1
373	K	22.9	Very low	25.8	Very low	185 Å²	185	155.9 Å²	155.9	80%	0.804	80%	0.802	S	S	*	*			trans	89	120.6	145.7	-78.2	168.8	-175.2	179.5	0	119.2
374	E	26	Very low	25.8	Very low	190 Å²	190	156.4 Å²	156.4	89%	0.888	81%	0.805	S	S	*	*				-160.8	140	116.2	-109.1	174.3	-171.3	0	0	113
375	N	24.1	Very low	26.2	Very low	156 Å²	156	154.3 Å²	154.3	83%	0.834	80%	0.802	S	S	*	*			trans	-82.8	144.6	171.5	-75.9	-30.5	0	0	0	109.6
376	I	26.7	Very low	25.8	Very low	169 Å²	169	154.9 Å²	154.9	87%	0.867	81%	0.809	S	S	*	*			trans	-139.3	113	144.6	-58.7	-177.1	0	0	0	109.3
377	S	27.1	Very low	26.3	Very low	105 Å²	105	155.3 Å²	155.3	73%	0.734	81%	0.811	S	S	*	*			trans	-81.5	145.2	167.3	49.8	0	0	0	0	110.9
378	A	26.8	Very low	26.2	Very low	107 Å²	107	157.4 Å²	157.4	88%	0.884	81%	0.814	S	S	*	*			trans	-76.9	148.6	170	0	0	0	0	0	111.7
379	S	25.5	Very low	26.7	Very low	116 Å²	116	156.9 Å²	156.9	81%	0.811	81%	0.811	S	S	*	*			trans	-130	130.8	168.9	51.1	0	0	0	0	111.5
380	E	27.7	Very low	26.9	Very low	188 Å²	188	153.7 Å²	153.7	88%	0.879	81%	0.807	S	S	*	*			trans	-21.1	147	163.7	-62.8	165.4	152.8	0	0	121.1
381	E	24.6	Very low	27.2	Very low	168 Å²	168	150.5 Å²	150.5	79%	0.785	80%	0.802	S	S	*	*			trans	-163.1	145.6	130.2	-84	-156.9	139.1	0	0	106.6
382	Q	25.5	Very low	27.9	Very low	164 Å²	164	150.2 Å²	150.2	77%	0.766	81%	0.806	S	S	*	*			cis	-161	159.5	-4.4	-101.1	179.3	15	0	0	107.1
383	I	26.5	Very low	28.7	Very low	153 Å²	153	148.7 Å²	148.7	79%	0.785	81%	0.807	S	S	*	*			trans	-99.1	143.5	175.9	-67.2	167.8	0	0	0	109.2
384	E	26.3	Very low	29.8	Very low	198 Å²	198	146.6 Å²	146.6	93%	0.925	81%	0.805	S	S	*	*			trans	-136.6	138.3	149.5	-120.1	-178.2	-171.8	0	0	111.4
385	D	29.2	Very low	30.7	Very low	147 Å²	147	145.7 Å²	145.7	79%	0.786	80%	0.801	S	S	*	*			trans	-76.2	151.6	-167.4	-86	-50.1	0	0	0	115.4
386	S	26.5	Very low	31.3	Very low	119 Å²	119	146.8 Å²	146.8	83%	0.832	80%	0.798	S	S	*	*				-176.6	111	125.4	37.5	0	0	0	0	115.1
387	K	30.8	Very low	32.2	Very low	200 Å²	200	146.4 Å²	146.4	87%	0.87	79%	0.793	S	S	*	*			trans	31.6	112.1	140.1	-96.9	170.9	172.3	171.4	0	122.4
388	M	23	Very low	33.1	Very low	176 Å²	176	148.7 Å²	148.7	87%	0.867	79%	0.791	S	S	*	*				43	156	115.7	-70.6	-86	154.3	0	0	121.4
389	P	43.8	Very low	34.2	Very low	103 Å²	103	149.1 Å²	149.1	67%	0.669	78%	0.778	S	S	*	*			cis	-140.3	-174.6	-19.8	36.7	-15.6	0	0	0	115.2
390	S	29.6	Very low	35.4	Very low	101 Å²	101	147 Å²	147	71%	0.706	76%	0.76	S	S	*	*			trans	86.7	121.8	147.7	63.1	0	0	0	0	121.6
391	S	32.3	Very low	36.6	Very low	94 Å²	94	141.8 Å²	141.8	66%	0.657	74%	0.741	S	S	*	*			trans	55.6	102.5	144.8	60.2	0	0	0	0	118.5
392	D	36.5	Very low	37.8	Very low	161 Å²	161	142.1 Å²	142.1	86%	0.861	74%	0.735	S	S	*	*				-173.5	137.3	98.6	-85.7	-33.1	0	0	0	110.6
393	V	42.5	Very low	39	Very low	122 Å²	122	138 Å²	138	74%	0.739	72%	0.721	S	S	*	*			trans	-94.8	153	-174.1	-167.6	0	0	0	0	107.9
394	D	44.7	Very low	40.1	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	71%	0.714	S	S	*	*	S	Bend	trans	95.8	16.3	158.6	-60.1	-42.5	0	0	0	122.8
395	E	44.3	Very low	41.2	Very low	171 Å²	171	134.1 Å²	134.1	80%	0.799	70%	0.697	S	S	*	*	S	Bend	trans	-129.7	-3.5	165.9	-98.2	-173.7	167.7	0	0	116.3
396	K	38.4	Very low	42.4	Very low	180 Å²	180	131.5 Å²	131.5	78%	0.783	68%	0.682	S	S	*	*	H	α-helix	trans	-95.9	-19.9	-179.1	-76.7	-178.7	177.9	173.7	0	115	V400	K396-V400 VanDerWaalsContact O-CG2 3.29Å; K396-V400 WeakPolarHBondContact O-CG2 3.37Å; K396-V400 PolarHBondContact O-N 3.14Å
397	E	45.8	Very low	43.3	Very low	161 Å²	161	133.7 Å²	133.7	75%	0.752	67%	0.674	S	S	*	*	H	α-helix	trans	-74.1	-30.6	178.9	-79.9	-163.4	145.7	0	0	112.9	T401	E397-T401 VanDerWaalsContact O-CB 3.32Å; E397-T401 WeakPolarHBondContact O-CB 3.24Å; E397-T401 PolarHBondContact O-N 2.98Å; E397-T401 PolarHBondContact O-OG1 3.05Å
398	E	45	Very low	44.4	Very low	152 Å²	152	130.8 Å²	130.8	71%	0.71	66%	0.661	S	S	*	*	H	α-helix	trans	-74.5	-36.5	-178.7	-153.9	175.9	-177.6	0	0	112.2	R402	E398-R402 VanDerWaalsContact O-CB 3.28Å; E398-R402 WeakPolarHBondContact O-CB 3.47Å; E398-R402 PolarHBondContact O-N 3.4Å
399	I	49.6	Very low	45.6	Very low	117 Å²	117	125.8 Å²	125.8	60%	0.6	64%	0.64	S	S	*	*	H	α-helix	trans	-71.7	-40.9	177.4	-59.5	175.2	0	0	0	111	R402 T403	I399-R402 PolarHBondContact O-N 3.4Å; I399-T403 WeakPolarHBondContact O-CB 3.28Å; I399-T403 PolarHBondContact O-N 3.24Å; I399-T403 PolarHBondContact O-OG1 3.44Å
400	V	51.8	Low	46	Very low	72 Å²	72	126.7 Å²	126.7	44%	0.436	64%	0.635	S	S	.	*	H	α-helix	trans	-67	-38.2	177.1	172.8	0	0	0	0	111.1	K396 K404	K396-V400 VanDerWaalsContact O-CG2 3.29Å; K396-V400 WeakPolarHBondContact O-CG2 3.37Å; K396-V400 PolarHBondContact O-N 3.14Å; V400-K404 HydrophobicContact CG1-CD 4.06Å; V400-K404 WeakPolarHBondContact O-CB 3.46Å; V400-K404 VanDerWaalsContact O-CG 3.28Å; V400-K404 WeakPolarHBondContact O-CG 3.49Å; V400-K404 PolarHBondContact O-N 3.27Å
401	T	51.8	Low	46.9	Very low	77 Å²	77	127.6 Å²	127.6	47%	0.472	63%	0.628	S	S	.	*	H	α-helix	trans	-69	-43.7	178.1	-50.3	0	0	0	0	111	E397 T403 K404 Q405	E397-T401 VanDerWaalsContact O-CB 3.32Å; E397-T401 WeakPolarHBondContact O-CB 3.24Å; E397-T401 PolarHBondContact O-N 2.98Å; E397-T401 PolarHBondContact O-OG1 3.05Å; T401-T403 PolarHBondContact O-N 3.22Å; T401-K404 PolarHBondContact O-N 3.11Å; T401-Q405 WeakPolarHBondContact O-CB 3.25Å; T401-Q405 PolarHBondContact O-N 2.98Å
402	R	50.9	Low	47.9	Very low	176 Å²	176	128.3 Å²	128.3	66%	0.664	62%	0.624	S	S	*	*	H	α-helix	trans	-64.1	-38.9	176	-162.9	170.7	-170.2	144.7	-0.5	112.5	E398 I399 Q405 I406	E398-R402 VanDerWaalsContact O-CB 3.28Å; E398-R402 WeakPolarHBondContact O-CB 3.47Å; E398-R402 PolarHBondContact O-N 3.4Å; I399-R402 PolarHBondContact O-N 3.4Å; R402-Q405 PolarHBondContact O-N 3.08Å; R402-I406 HydrophobicContact CG-CD1 4.32Å; R402-I406 WeakPolarHBondContact O-CD1 3.3Å; R402-I406 VanDerWaalsContact O-CG1 3.26Å; R402-I406 WeakPolarHBondContact O-CG1 3.24Å; R402-I406 PolarHBondContact O-N 3.09Å
403	T	49.1	Very low	48.4	Very low	76 Å²	76	126.3 Å²	126.3	47%	0.466	61%	0.61	S	S	.	*	H	α-helix	trans	-70	-39.5	177	-47.1	0	0	0	0	111.5	I399 T401 Q405 I406 Y407	I399-T403 WeakPolarHBondContact O-CB 3.28Å; I399-T403 PolarHBondContact O-N 3.24Å; I399-T403 PolarHBondContact O-OG1 3.44Å; T401-T403 PolarHBondContact O-N 3.22Å; T403-Q405 VanDerWaalsContact C-N 3.32Å; T403-Q405 PolarHBondContact O-N 3.14Å; T403-I406 PolarHBondContact O-N 3.3Å; T403-Y407 WeakPolarHBondContact O-CB 3.29Å; T403-Y407 PolarHBondContact O-N 3.46Å
404	K	49.6	Very low	48.5	Very low	146 Å²	146	127.4 Å²	127.4	64%	0.635	61%	0.605	S	S	*	*	H	α-helix	trans	-63.8	-36	172	-77.2	174.9	-179.8	175.5	0	112.2	V400 T401 K408	V400-K404 HydrophobicContact CG1-CD 4.06Å; V400-K404 WeakPolarHBondContact O-CB 3.46Å; V400-K404 VanDerWaalsContact O-CG 3.28Å; V400-K404 WeakPolarHBondContact O-CG 3.49Å; V400-K404 PolarHBondContact O-N 3.27Å; T401-K404 PolarHBondContact O-N 3.11Å; K404-K408 WeakPolarHBondContact O-CB 3.11Å; K404-K408 PolarHBondContact O-N 3.11Å
405	Q	50.4	Low	48.5	Very low	125 Å²	125	124.1 Å²	124.1	58%	0.584	59%	0.59	S	S	*	*	H	α-helix	trans	-71.2	-39	177.5	-132.3	142.1	-17.3	0	0	112.2	T401 R402 T403 K408 T409	T401-Q405 WeakPolarHBondContact O-CB 3.25Å; T401-Q405 PolarHBondContact O-N 2.98Å; R402-Q405 PolarHBondContact O-N 3.08Å; T403-Q405 VanDerWaalsContact C-N 3.32Å; T403-Q405 PolarHBondContact O-N 3.14Å; Q405-K408 PolarHBondContact O-N 3.32Å; Q405-T409 WeakPolarHBondContact O-CB 3.42Å; Q405-T409 PolarHBondContact O-N 3.37Å; Q405-T409 PolarHBondContact O-OG1 2.86Å
406	I	54.9	Low	48.8	Very low	92 Å²	92	118.8 Å²	118.8	47%	0.472	58%	0.575	S	S	.	*	H	α-helix	trans	-66	-43.8	173.5	-66.4	163.7	0	0	0	110.3	R402 T403 K408 T409 H410	R402-I406 HydrophobicContact CG-CD1 4.32Å; R402-I406 WeakPolarHBondContact O-CD1 3.3Å; R402-I406 VanDerWaalsContact O-CG1 3.26Å; R402-I406 WeakPolarHBondContact O-CG1 3.24Å; R402-I406 PolarHBondContact O-N 3.09Å; T403-I406 PolarHBondContact O-N 3.3Å; I406-K408 VanDerWaalsContact C-N 3.34Å; I406-K408 PolarHBondContact O-N 2.93Å; I406-T409 PolarHBondContact O-N 3.04Å; I406-H410 WeakPolarHBondContact O-CB 3.4Å; I406-H410 PolarHBondContact O-N 3.28Å
407	Y	45.2	Very low	49.1	Very low	165 Å²	165	113.9 Å²	113.9	65%	0.647	56%	0.56	S	S	*	*	H	α-helix	trans	-63.8	-39.2	177	-133.9	-91.4	0	0	0	112.1	T403 Q411	T403-Y407 WeakPolarHBondContact O-CB 3.29Å; T403-Y407 PolarHBondContact O-N 3.46Å; Y407-Q411 WeakPolarHBondContact O-CB 3.36Å; Y407-Q411 PolarHBondContact O-N 2.97Å
408	K	52.8	Low	49.2	Very low	139 Å²	139	108.6 Å²	108.6	60%	0.604	54%	0.539	S	S	*	.	H	α-helix	trans	-69.2	-35.8	175.7	-160.4	171.4	-172.3	178.1	0	111.9	K404 Q405 I406 L412	K404-K408 WeakPolarHBondContact O-CB 3.11Å; K404-K408 PolarHBondContact O-N 3.11Å; Q405-K408 PolarHBondContact O-N 3.32Å; I406-K408 VanDerWaalsContact C-N 3.34Å; I406-K408 PolarHBondContact O-N 2.93Å; K408-L412 HydrophobicContact CG-CD1 4.32Å; K408-L412 VanDerWaalsContact O-CB 3.3Å; K408-L412 WeakPolarHBondContact O-CB 3.37Å; K408-L412 WeakPolarHBondContact O-CD1 3.36Å; K408-L412 WeakPolarHBondContact O-CG 3.47Å; K408-L412 PolarHBondContact O-N 3.26Å
409	T	49.2	Very low	49.6	Very low	70 Å²	70	104.4 Å²	104.4	43%	0.429	52%	0.524	S	S	.	.	H	α-helix	trans	-72.2	-39.3	176.5	-51.5	0	0	0	0	111.5	Q405 I406 L412 Q413	Q405-T409 WeakPolarHBondContact O-CB 3.42Å; Q405-T409 PolarHBondContact O-N 3.37Å; Q405-T409 PolarHBondContact O-OG1 2.86Å; I406-T409 PolarHBondContact O-N 3.04Å; T409-L412 PolarHBondContact O-N 2.74Å; T409-Q413 WeakPolarHBondContact O-CB 3.38Å; T409-Q413 WeakPolarHBondContact O-CG 3.4Å; T409-Q413 PolarHBondContact O-N 3.49Å
410	H	50.9	Low	49.7	Very low	123 Å²	123	108.5 Å²	108.5	57%	0.569	53%	0.532	S	S	*	.	H	α-helix	trans	-69	-38.1	172.5	-91	-107.3	0	0	0	112.3	I406 Q413 F414	I406-H410 WeakPolarHBondContact O-CB 3.4Å; I406-H410 PolarHBondContact O-N 3.28Å; H410-Q413 PolarHBondContact O-N 2.88Å; H410-F414 WeakPolarHBondContact O-CB 3.4Å; H410-F414 PolarHBondContact O-N 2.8Å
411	Q	48.8	Very low	49.6	Very low	120 Å²	120	112 Å²	112	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-64	-40	170.9	-98.9	-177.1	-13.7	0	0	112	Y407 T415	Y407-Q411 WeakPolarHBondContact O-CB 3.36Å; Y407-Q411 PolarHBondContact O-N 2.97Å; Q411-T415 VanDerWaalsContact O-CB 3.32Å; Q411-T415 WeakPolarHBondContact O-CB 3.27Å; Q411-T415 VanDerWaalsContact O-CG2 3.3Å; Q411-T415 WeakPolarHBondContact O-CG2 3.47Å; Q411-T415 PolarHBondContact O-N 3.3Å; Q411-T415 PolarHBondContact O-OG1 3.07Å
412	L	53.8	Low	49.6	Very low	109 Å²	109	113.5 Å²	113.5	57%	0.571	55%	0.547	S	S	*	.	H	α-helix	trans	-70.2	-36.4	176.7	-76.8	164.4	0	0	0	112.4	K408 T409 T415 A416	K408-L412 HydrophobicContact CG-CD1 4.32Å; K408-L412 VanDerWaalsContact O-CB 3.3Å; K408-L412 WeakPolarHBondContact O-CB 3.37Å; K408-L412 WeakPolarHBondContact O-CD1 3.36Å; K408-L412 WeakPolarHBondContact O-CG 3.47Å; K408-L412 PolarHBondContact O-N 3.26Å; T409-L412 PolarHBondContact O-N 2.74Å; L412-T415 WeakPolarHBondContact CA-OG1 3.43Å; L412-T415 PolarHBondContact O-OG1 3.24Å; L412-A416 WeakPolarHBondContact O-CB 3.43Å; L412-A416 PolarHBondContact O-N 3.45Å
413	Q	47.4	Very low	49.4	Very low	118 Å²	118	110.7 Å²	110.7	55%	0.551	54%	0.541	S	S	*	.	H	α-helix	trans	-73.2	-37.4	174.3	-78.9	-175.3	-19.6	0	0	112.5	T409 H410 T417	T409-Q413 WeakPolarHBondContact O-CB 3.38Å; T409-Q413 WeakPolarHBondContact O-CG 3.4Å; T409-Q413 PolarHBondContact O-N 3.49Å; H410-Q413 PolarHBondContact O-N 2.88Å; Q413-T417 WeakPolarHBondContact O-CB 3.44Å; Q413-T417 WeakPolarHBondContact O-CG2 3.24Å; Q413-T417 PolarHBondContact O-N 3.08Å; Q413-T417 PolarHBondContact O-OG1 3.25Å
414	F	44.3	Very low	49.2	Very low	146 Å²	146	115.8 Å²	115.8	64%	0.64	55%	0.552	S	S	*	*	H	α-helix	trans	-67.7	-46.3	174.3	-171.1	-99.4	0	0	0	110.9	H410 T417 T418	H410-F414 WeakPolarHBondContact O-CB 3.4Å; H410-F414 PolarHBondContact O-N 2.8Å; F414-T417 WeakPolarHBondContact CA-OG1 3.49Å; F414-T417 PolarHBondContact O-N 3.2Å; F414-T417 PolarHBondContact O-OG1 3.03Å; F414-T417 VanDerWaalsContact O-OG1 3.08Å; F414-T418 VanDerWaalsContact O-CB 3.29Å; F414-T418 WeakPolarHBondContact O-CB 3.1Å; F414-T418 PolarHBondContact O-N 3.04Å; F414-T418 PolarHBondContact O-OG1 2.95Å
415	T	45.5	Very low	49	Very low	71 Å²	71	111.6 Å²	111.6	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-40.6	173.2	50.2	0	0	0	0	111.9	Q411 L412 T417 T418 T419	Q411-T415 VanDerWaalsContact O-CB 3.32Å; Q411-T415 WeakPolarHBondContact O-CB 3.27Å; Q411-T415 VanDerWaalsContact O-CG2 3.3Å; Q411-T415 WeakPolarHBondContact O-CG2 3.47Å; Q411-T415 PolarHBondContact O-N 3.3Å; Q411-T415 PolarHBondContact O-OG1 3.07Å; L412-T415 WeakPolarHBondContact CA-OG1 3.43Å; L412-T415 PolarHBondContact O-OG1 3.24Å; T415-T417 PolarHBondContact O-N 3.32Å; T415-T418 PolarHBondContact O-N 2.88Å; T415-T419 WeakPolarHBondContact O-CB 3.36Å; T415-T419 PolarHBondContact O-N 2.91Å; T415-T419 PolarHBondContact O-OG1 2.96Å
416	A	49.1	Very low	48.6	Very low	59 Å²	59	110.6 Å²	110.6	49%	0.488	54%	0.54	S	S	.	.	H	α-helix	trans	-66.4	-35.2	176.2	0	0	0	0	0	113.3	L412 R420	L412-A416 WeakPolarHBondContact O-CB 3.43Å; L412-A416 PolarHBondContact O-N 3.45Å; A416-R420 WeakPolarHBondContact O-CB 3.34Å; A416-R420 PolarHBondContact O-N 3.06Å
417	T	45.6	Very low	47.8	Very low	77 Å²	77	115.9 Å²	115.9	47%	0.472	55%	0.553	S	S	.	*	H	α-helix	trans	-75	-38.8	174.6	43	0	0	0	0	111.9	Q413 F414 T415 R420 M421	Q413-T417 WeakPolarHBondContact O-CB 3.44Å; Q413-T417 WeakPolarHBondContact O-CG2 3.24Å; Q413-T417 PolarHBondContact O-N 3.08Å; Q413-T417 PolarHBondContact O-OG1 3.25Å; F414-T417 WeakPolarHBondContact CA-OG1 3.49Å; F414-T417 PolarHBondContact O-N 3.2Å; F414-T417 PolarHBondContact O-OG1 3.03Å; F414-T417 VanDerWaalsContact O-OG1 3.08Å; T415-T417 PolarHBondContact O-N 3.32Å; T417-R420 PolarHBondContact O-N 3.4Å; T417-M421 WeakPolarHBondContact O-CB 3.44Å; T417-M421 VanDerWaalsContact O-CG 3.32Å; T417-M421 WeakPolarHBondContact O-CG 3.47Å; T417-M421 PolarHBondContact O-N 2.88Å
418	T	48.6	Very low	47.5	Very low	50 Å²	50	113.7 Å²	113.7	31%	0.307	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-42.1	171.6	-60.2	0	0	0	0	111.7	F414 T415 M421 Q422	F414-T418 VanDerWaalsContact O-CB 3.29Å; F414-T418 WeakPolarHBondContact O-CB 3.1Å; F414-T418 PolarHBondContact O-N 3.04Å; F414-T418 PolarHBondContact O-OG1 2.95Å; T415-T418 PolarHBondContact O-N 2.88Å; T418-M421 CarbonylContact O-C 3.11Å; T418-M421 PolarHBondContact O-N 2.98Å; T418-Q422 HydrophobicContact CG2-CG 4.41Å; T418-Q422 VanDerWaalsContact O-CB 3.25Å; T418-Q422 WeakPolarHBondContact O-CB 3.32Å; T418-Q422 VanDerWaalsContact O-CG 3.31Å; T418-Q422 WeakPolarHBondContact O-CG 3.42Å; T418-Q422 PolarHBondContact O-N 2.91Å
419	T	52.4	Low	46.8	Very low	64 Å²	64	110.4 Å²	110.4	39%	0.393	55%	0.547	S	S	.	.	H	α-helix	trans	-69.5	-34.1	175.1	-57.1	0	0	0	0	111.1	T415 H423	T415-T419 WeakPolarHBondContact O-CB 3.36Å; T415-T419 PolarHBondContact O-N 2.91Å; T415-T419 PolarHBondContact O-OG1 2.96Å; T419-H423 VanDerWaalsContact O-CB 3.23Å; T419-H423 WeakPolarHBondContact O-CB 3.48Å; T419-H423 PolarHBondContact O-CD2 3.37Å; T419-H423 VanDerWaalsContact O-CD2 3.28Å; T419-H423 PolarHBondContact O-N 2.87Å
420	R	51.8	Low	46.2	Very low	203 Å²	203	117.4 Å²	117.4	77%	0.766	57%	0.566	S	S	*	*	H	α-helix	trans	-71.8	-33.8	172.4	-167.7	174.1	-176.2	176.3	0.6	112.2	A416 T417 R424	A416-R420 WeakPolarHBondContact O-CB 3.34Å; A416-R420 PolarHBondContact O-N 3.06Å; T417-R420 PolarHBondContact O-N 3.4Å; R420-R424 WeakPolarHBondContact O-CB 3.36Å; R420-R424 PolarHBondContact O-N 3.02Å
421	M	50.4	Low	45.6	Very low	146 Å²	146	116.4 Å²	116.4	72%	0.719	57%	0.568	S	S	*	*	H	α-helix	trans	-73.1	-36.7	171.7	-74.3	-155.2	175.4	0	0	112.1	T417 T418 R424 A425	T417-M421 WeakPolarHBondContact O-CB 3.44Å; T417-M421 VanDerWaalsContact O-CG 3.32Å; T417-M421 WeakPolarHBondContact O-CG 3.47Å; T417-M421 PolarHBondContact O-N 2.88Å; T418-M421 CarbonylContact O-C 3.11Å; T418-M421 PolarHBondContact O-N 2.98Å; M421-R424 PolarHBondContact O-N 3.16Å; M421-A425 VanDerWaalsContact O-CB 3.23Å; M421-A425 WeakPolarHBondContact O-CB 3.39Å; M421-A425 PolarHBondContact O-N 2.86Å
422	Q	50.2	Low	45.3	Very low	109 Å²	109	113.8 Å²	113.8	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-72.4	-37.8	173.6	-78.7	174.6	-20.2	0	0	112.1	T418 A425 Q426	T418-Q422 HydrophobicContact CG2-CG 4.41Å; T418-Q422 VanDerWaalsContact O-CB 3.25Å; T418-Q422 WeakPolarHBondContact O-CB 3.32Å; T418-Q422 VanDerWaalsContact O-CG 3.31Å; T418-Q422 WeakPolarHBondContact O-CG 3.42Å; T418-Q422 PolarHBondContact O-N 2.91Å; Q422-A425 CarbonylContact O-C 3.51Å; Q422-A425 PolarHBondContact O-N 3.3Å; Q422-Q426 WeakPolarHBondContact O-CB 3.47Å; Q422-Q426 VanDerWaalsContact O-CG 3.25Å; Q422-Q426 WeakPolarHBondContact O-CG 3.48Å; Q422-Q426 PolarHBondContact O-N 2.77Å
423	H	46.3	Very low	44.7	Very low	117 Å²	117	116.7 Å²	116.7	54%	0.542	58%	0.578	S	S	.	*	H	α-helix	trans	-71.8	-28	170.7	-89.3	-95.2	0	0	0	112.2	T419 R427	T419-H423 VanDerWaalsContact O-CB 3.23Å; T419-H423 WeakPolarHBondContact O-CB 3.48Å; T419-H423 PolarHBondContact O-CD2 3.37Å; T419-H423 VanDerWaalsContact O-CD2 3.28Å; T419-H423 PolarHBondContact O-N 2.87Å; H423-R427 VanDerWaalsContact O-CB 3.27Å; H423-R427 WeakPolarHBondContact O-CB 3.45Å; H423-R427 PolarHBondContact O-N 3.3Å
424	R	45.8	Very low	44.3	Very low	183 Å²	183	114.3 Å²	114.3	69%	0.691	57%	0.574	S	S	*	*	H	α-helix	trans	-72.9	-40.3	169.8	-171.7	174.6	-179.8	172.1	-0.8	111.1	R420 M421 R427 L428	R420-R424 WeakPolarHBondContact O-CB 3.36Å; R420-R424 PolarHBondContact O-N 3.02Å; M421-R424 PolarHBondContact O-N 3.16Å; R424-R427 PolarHBondContact O-N 3.22Å; R424-L428 HydrophobicContact CG-CD1 4.13Å; R424-L428 VanDerWaalsContact O-CB 3.3Å; R424-L428 WeakPolarHBondContact O-CB 3.42Å; R424-L428 WeakPolarHBondContact O-CD1 3.47Å; R424-L428 WeakPolarHBondContact O-CG 3.15Å; R424-L428 PolarHBondContact O-N 3.24Å
425	A	45	Very low	44.1	Very low	58 Å²	58	112.4 Å²	112.4	48%	0.479	58%	0.577	S	S	.	*	H	α-helix	trans	-67.3	-35.6	172.3	0	0	0	0	0	112	M421 Q422 L428 S429	M421-A425 VanDerWaalsContact O-CB 3.23Å; M421-A425 WeakPolarHBondContact O-CB 3.39Å; M421-A425 PolarHBondContact O-N 2.86Å; Q422-A425 CarbonylContact O-C 3.51Å; Q422-A425 PolarHBondContact O-N 3.3Å; A425-L428 PolarHBondContact O-N 3.4Å; A425-S429 WeakPolarHBondContact O-CB 3.38Å; A425-S429 PolarHBondContact O-N 3.18Å; A425-S429 PolarHBondContact O-OG 3.04Å
426	Q	42.4	Very low	44.2	Very low	104 Å²	104	119.2 Å²	119.2	49%	0.486	60%	0.595	S	S	.	*	H	α-helix	trans	-77.7	-28.8	173.9	-76.2	178.4	3.6	0	0	113.1	Q422 S429 R430	Q422-Q426 WeakPolarHBondContact O-CB 3.47Å; Q422-Q426 VanDerWaalsContact O-CG 3.25Å; Q422-Q426 WeakPolarHBondContact O-CG 3.48Å; Q422-Q426 PolarHBondContact O-N 2.77Å; Q426-S429 VanDerWaalsContact CA-OG 3.32Å; Q426-S429 WeakPolarHBondContact CA-OG 3.49Å; Q426-S429 PolarHBondContact O-OG 3.48Å; Q426-R430 VanDerWaalsContact O-CB 3.28Å; Q426-R430 WeakPolarHBondContact O-CB 3.43Å; Q426-R430 PolarHBondContact O-N 2.93Å
427	R	37.8	Very low	44.4	Very low	202 Å²	202	117.4 Å²	117.4	76%	0.762	58%	0.578	S	S	*	*	H	α-helix	trans	-70	-40.2	166.8	-107.5	-179.1	175.3	178.1	-1	110.9	H423 R424 S429 R430 T431	H423-R427 VanDerWaalsContact O-CB 3.27Å; H423-R427 WeakPolarHBondContact O-CB 3.45Å; H423-R427 PolarHBondContact O-N 3.3Å; R424-R427 PolarHBondContact O-N 3.22Å; R427-S429 VanDerWaalsContact C-N 3.27Å; R427-S429 PolarHBondContact O-N 3.04Å; R427-R430 PolarHBondContact O-N 3.2Å; R427-T431 WeakPolarHBondContact O-CG2 3.36Å; R427-T431 PolarHBondContact O-N 3.19Å; R427-T431 VanDerWaalsContact O-N 3.08Å; R427-T431 PolarHBondContact O-OG1 2.95Å
428	L	40.3	Very low	45.1	Very low	120 Å²	120	121.9 Å²	121.9	63%	0.628	59%	0.591	S	S	*	*	H	α-helix	trans	-68.5	-24.3	174.1	-73.2	161.7	0	0	0	112.6	R424 A425	R424-L428 HydrophobicContact CG-CD1 4.13Å; R424-L428 VanDerWaalsContact O-CB 3.3Å; R424-L428 WeakPolarHBondContact O-CB 3.42Å; R424-L428 WeakPolarHBondContact O-CD1 3.47Å; R424-L428 WeakPolarHBondContact O-CG 3.15Å; R424-L428 PolarHBondContact O-N 3.24Å; A425-L428 PolarHBondContact O-N 3.4Å
429	S	37.1	Very low	46.3	Very low	70 Å²	70	121 Å²	121	49%	0.49	58%	0.584	S	S	.	*	H	α-helix	trans	-95.3	-14.1	174.2	73.7	0	0	0	0	115.2	A425 Q426 R427 S432	A425-S429 WeakPolarHBondContact O-CB 3.38Å; A425-S429 PolarHBondContact O-N 3.18Å; A425-S429 PolarHBondContact O-OG 3.04Å; Q426-S429 VanDerWaalsContact CA-OG 3.32Å; Q426-S429 WeakPolarHBondContact CA-OG 3.49Å; Q426-S429 PolarHBondContact O-OG 3.48Å; R427-S429 VanDerWaalsContact C-N 3.27Å; R427-S429 PolarHBondContact O-N 3.04Å; S429-S432 PolarHBondContact O-OG 3.39Å
430	R	37.3	Very low	47.6	Very low	217 Å²	217	120.8 Å²	120.8	82%	0.819	58%	0.581	S	S	*	*	H	α-helix	trans	-103.7	0	172.8	-72.9	178.8	75.6	172.8	3.5	114.6	Q426 R427 S432	Q426-R430 VanDerWaalsContact O-CB 3.28Å; Q426-R430 WeakPolarHBondContact O-CB 3.43Å; Q426-R430 PolarHBondContact O-N 2.93Å; R427-R430 PolarHBondContact O-N 3.2Å; R430-S432 VanDerWaalsContact C-N 3.34Å
431	T	37.1	Very low	49	Very low	101 Å²	101	115.1 Å²	115.1	62%	0.62	57%	0.569	S	S	*	*	S	Bend	trans	-90.3	9.1	164.1	49.2	0	0	0	0	113.5	R427 L433	R427-T431 WeakPolarHBondContact O-CG2 3.36Å; R427-T431 PolarHBondContact O-N 3.19Å; R427-T431 VanDerWaalsContact O-N 3.08Å; R427-T431 PolarHBondContact O-OG1 2.95Å; T431-L433 PolarHBondContact O-N 3.49Å
432	S	42.8	Very low	50.9	Low	65 Å²	65	111.5 Å²	111.5	46%	0.455	56%	0.555	S	S	.	*			trans	-93.7	21	-174.2	74.9	0	0	0	0	115.7	S429 R430	S429-S432 PolarHBondContact O-OG 3.39Å; R430-S432 VanDerWaalsContact C-N 3.34Å
433	L	40.9	Very low	52.7	Low	171 Å²	171	110.6 Å²	110.6	90%	0.895	56%	0.558	S	S	*	*			trans	-113.6	39.6	171.9	-69.1	170.2	0	0	0	111.5	T431	T431-L433 PolarHBondContact O-N 3.49Å
434	S	40.2	Very low	55	Low	67 Å²	67	105.2 Å²	105.2	47%	0.469	53%	0.534	S	S	.	.	S	Bend	trans	-75.3	134.3	140.1	57	0	0	0	0	106.6	R436	S434-R436 PolarHBondContact O-N 3.06Å
435	P	40.5	Very low	57.3	Low	106 Å²	106	100.2 Å²	100.2	69%	0.688	53%	0.525	S	S	*	.			trans	-54	112.5	173.6	-15.8	27	0	0	0	107.2	P437	P435-P437 WeakPolarHBondContact O-CD 3.25Å
436	R	47.2	Very low	59.6	Low	215 Å²	215	101.1 Å²	101.1	81%	0.811	53%	0.533	S	S	*	.			trans	-57.2	125.6	163.1	-73.3	-174.7	178.8	-171.3	-0.5	104.2	S434 F438	S434-R436 PolarHBondContact O-N 3.06Å; R436-F438 PolarHBondContact O-N 3.45Å
437	P	52.7	Low	62.2	Low	20 Å²	20	96.9 Å²	96.9	13%	0.13	52%	0.516	C	S	.	.			trans	-57.1	111.9	174.7	13.6	-19.7	0	0	0	106.8	P435 L439 H729 Y732	P435-P437 WeakPolarHBondContact O-CD 3.25Å; P437-L439 PolarHBondContact O-N 3.1Å; P437-H729 WeakPolarHBondContact CD-ND1 3.34Å; P437-H729 HydrophobicContact CG-CB 4.15Å; P437-H729 WeakPolarHBondContact CG-ND1 3.27Å; P437-Y732 HydrophobicContact CB-CD1 3.58Å; P437-Y732 HydrophobicContact CB-CD2 3.65Å; P437-Y732 HydrophobicContact CB-CE1 4.04Å; P437-Y732 HydrophobicContact CB-CE2 4.11Å; P437-Y732 HydrophobicContact CB-CG 3.35Å; P437-Y732 HydrophobicContact CG-CD1 3.89Å; P437-Y732 HydrophobicContact CG-CG 3.89Å
438	F	60.7	Low	65	Low	172 Å²	172	91.3 Å²	91.3	75%	0.754	51%	0.506	S	S	*	.			trans	-72.4	88.4	176.5	-174.4	-96.1	0	0	0	105.6	R436 D440	R436-F438 PolarHBondContact O-N 3.45Å; F438-D440 HydrophobicContact CD1-CB 4.25Å; F438-D440 HydrophobicContact CE1-CB 3.96Å; F438-D440 PolarHBondContact O-N 3.23Å
439	L	73.2	Confident	67.7	Low	32 Å²	32	86.7 Å²	86.7	17%	0.168	48%	0.48	C	S	.	.			trans	-64.2	113.5	159.5	-83.5	117.8	0	0	0	106.1	P437 T441 L563 V567 H728	P437-L439 PolarHBondContact O-N 3.1Å; L439-T441 HydrophobicContact CB-CG2 4.05Å; L439-T441 PolarHBondContact O-N 3.33Å; L439-L563 HydrophobicContact CD1-CD1 4.06Å; L439-L563 HydrophobicContact CD2-CD1 3.66Å; L439-L563 HydrophobicContact CD2-CG 4Å; L439-L563 HydrophobicContact CG-CD1 4.15Å; L439-L563 HydrophobicContact CG-CG 4.44Å; L439-V567 HydrophobicContact CD2-CG2 3.63Å; L439-H728 HydrophobicContact CD1-CB 3.43Å; L439-H728 VanDerWaalsContact CD1-CB 3.43Å
440	D	80.4	Confident	70.6	Confident	58 Å²	58	90.3 Å²	90.3	31%	0.31	49%	0.494	S	S	.	.			trans	-70.8	82.7	173.9	178.6	13.6	0	0	0	109.2	F438 T442 K603	F438-D440 HydrophobicContact CD1-CB 4.25Å; F438-D440 HydrophobicContact CE1-CB 3.96Å; F438-D440 PolarHBondContact O-N 3.23Å; D440-T442 PolarHBondContact O-N 3.38Å; D440-T442 VanDerWaalsContact OD1-CB 3.31Å; D440-T442 WeakPolarHBondContact OD1-CB 3.22Å; D440-T442 WeakPolarHBondContact OD1-CG2 3.12Å; D440-T442 PolarHBondContact OD1-N 3.48Å; D440-T442 VanDerWaalsContact OD1-N 3.14Å; D440-T442 PolarHBondContact OD1-OG1 2.87Å; D440-K603 PolarHBondContact O-NZ 3.43Å; D440-K603 IonicContact OD1-NZ 2.73Å; D440-K603 PolarHBondContact OD1-NZ 3.23Å; D440-K603 WeakPolarHBondContact OD2-CE 3.32Å; D440-K603 IonicContact OD2-NZ 2.94Å; D440-K603 PolarHBondContact OD2-NZ 2.85Å
441	T	81.7	Confident	73.5	Confident	84 Å²	84	82.3 Å²	82.3	52%	0.515	47%	0.466	S	S	.	.			trans	-86.6	13.2	173.7	65.1	0	0	0	0	112.1	L439	L439-T441 HydrophobicContact CB-CG2 4.05Å; L439-T441 PolarHBondContact O-N 3.33Å
442	T	89.8	Confident	76.4	Confident	70 Å²	70	81.9 Å²	81.9	43%	0.429	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-63.2	147.2	173.3	64.4	0	0	0	0	109.4	D440 K603	D440-T442 PolarHBondContact O-N 3.38Å; D440-T442 VanDerWaalsContact OD1-CB 3.31Å; D440-T442 WeakPolarHBondContact OD1-CB 3.22Å; D440-T442 WeakPolarHBondContact OD1-CG2 3.12Å; D440-T442 PolarHBondContact OD1-N 3.48Å; D440-T442 VanDerWaalsContact OD1-N 3.14Å; D440-T442 PolarHBondContact OD1-OG1 2.87Å; T442-K603 WeakPolarHBondContact O-CE 3.24Å; T442-K603 PolarHBondContact O-NZ 3.37Å; T442-K603 WeakPolarHBondContact OG1-CE 3.21Å; T442-K603 PolarHBondContact OG1-NZ 3.05Å; T442-K603 VanDerWaalsContact OG1-NZ 3.08Å
443	P	88.7	Confident	79	Confident	90 Å²	90	85.2 Å²	85.2	58%	0.584	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-63.2	155.1	173.3	26.5	-33.5	0	0	0	110.2	A522	P443-A522 HydrophobicContact CB-CB 4.39Å
444	P	93	Very high	81.7	Confident	4 Å²	4	77.6 Å²	77.6	3%	0.026	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-57.6	155.6	167.5	28.4	-36.2	0	0	0	110	A446 A522 N523 V597 K603	P444-A446 PolarHBondContact O-N 2.92Å; P444-A522 HydrophobicContact CG-CB 3.79Å; P444-A522 WeakPolarHBondContact CG-O 3.4Å; P444-N523 VanDerWaalsContact CD-ND2 3.34Å; P444-N523 WeakPolarHBondContact CD-ND2 3.06Å; P444-N523 VanDerWaalsContact CG-ND2 3.34Å; P444-N523 WeakPolarHBondContact CG-ND2 3.43Å; P444-V597 HydrophobicContact CB-CG2 4.02Å; P444-K603 HydrophobicContact CB-CB 4.05Å
445	P	93.8	Very high	84.4	Confident	79 Å²	79	78.2 Å²	78.2	51%	0.513	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-57.1	138.1	173.2	25.4	-33.5	0	0	0	110.2	V597 K605	P445-V597 HydrophobicContact CG-CG1 3.7Å; P445-K605 PolarHBondContact O-NZ 3.44Å
446	A	94.8	Very high	87	Confident	77 Å²	77	74.4 Å²	74.4	64%	0.636	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-63.1	161	172.8	0	0	0	0	0	110.5	P444	P444-A446 PolarHBondContact O-N 2.92Å
447	A	96.7	Very high	89.3	Confident	15 Å²	15	69 Å²	69	12%	0.124	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-56.5	150.2	172.7	0	0	0	0	0	110.5	F449 Q526 E542	A447-F449 HydrophobicContact CB-CD1 4.31Å; A447-F449 HydrophobicContact CB-CD2 4.35Å; A447-F449 HydrophobicContact CB-CE1 4.1Å; A447-F449 HydrophobicContact CB-CE2 4.15Å; A447-F449 HydrophobicContact CB-CG 4.44Å; A447-F449 HydrophobicContact CB-CZ 4.03Å; A447-F449 PolarHBondContact O-N 3.23Å; A447-Q526 HydrophobicContact CB-CB 3.81Å; A447-Q526 HydrophobicContact CB-CG 3.75Å; A447-E542 WeakPolarHBondContact CA-OE1 3.37Å; A447-E542 HydrophobicContact CB-CB 4.34Å; A447-E542 HydrophobicContact CB-CG 4.07Å
448	P	96.3	Very high	91.1	Very high	85 Å²	85	73.5 Å²	73.5	55%	0.552	42%	0.418	S	S	*	.	S	Bend	trans	-71.9	22.7	179.3	31	-35.5	0	0	0	113.3	L491	P448-L491 HydrophobicContact CB-CD1 4.09Å; P448-L491 HydrophobicContact CG-CD1 3.97Å
449	F	97.4	Very high	92.2	Very high	22 Å²	22	69 Å²	69	10%	0.096	40%	0.402	C	S	.	.	S	Bend	trans	-155.7	149.2	178.3	52	-93.8	0	0	0	109.3	A447 L491 L493 Q526 Y528 E542	A447-F449 HydrophobicContact CB-CD1 4.31Å; A447-F449 HydrophobicContact CB-CD2 4.35Å; A447-F449 HydrophobicContact CB-CE1 4.1Å; A447-F449 HydrophobicContact CB-CE2 4.15Å; A447-F449 HydrophobicContact CB-CG 4.44Å; A447-F449 HydrophobicContact CB-CZ 4.03Å; A447-F449 PolarHBondContact O-N 3.23Å; F449-L491 HydrophobicContact CD1-CD2 4.15Å; F449-L493 HydrophobicContact CD1-CD2 4.23Å; F449-L493 HydrophobicContact CE1-CD2 3.63Å; F449-L493 HydrophobicContact CZ-CD2 4.44Å; F449-Q526 HydrophobicContact CE2-CB 3.69Å; F449-Q526 HydrophobicContact CZ-CB 3.94Å; F449-Y528 HydrophobicContact CB-CD2 4.13Å; F449-Y528 HydrophobicContact CB-CE2 3.96Å; F449-Y528 AromaticContact CD1-CD2 3.57Å; F449-Y528 HydrophobicContact CD1-CD2 3.57Å; F449-Y528 AromaticContact CD1-CE2 3.99Å; F449-Y528 HydrophobicContact CD1-CE2 3.99Å; F449-Y528 AromaticContact CD2-CD2 3.66Å; F449-Y528 HydrophobicContact CD2-CD2 3.66Å; F449-Y528 HydrophobicContact CD2-CE2 4.34Å; F449-Y528 AromaticContact CE1-CD2 3.76Å; F449-Y528 HydrophobicContact CE1-CD2 3.76Å; F449-Y528 HydrophobicContact CE1-CG 4.44Å; F449-Y528 AromaticContact CE2-CD2 3.84Å; F449-Y528 HydrophobicContact CE2-CD2 3.84Å; F449-Y528 HydrophobicContact CE2-CG 4.5Å; F449-Y528 AromaticContact CG-CD2 3.51Å; F449-Y528 HydrophobicContact CG-CD2 3.51Å; F449-Y528 AromaticContact CG-CE2 3.85Å; F449-Y528 HydrophobicContact CG-CE2 3.85Å; F449-Y528 AromaticContact CZ-CD2 3.89Å; F449-Y528 HydrophobicContact CZ-CD2 3.89Å; F449-Y528 HydrophobicContact CZ-CG 4.38Å; F449-E542 HydrophobicContact CE1-CB 4.1Å; F449-E542 HydrophobicContact CZ-CB 3.89Å
450	N	97.6	Very high	92.7	Very high	147 Å²	147	73.8 Å²	73.8	79%	0.786	42%	0.423	S	S	*	.			trans	-63.5	150.7	173.4	-64.4	-26.7	0	0	0	111	R452	N450-R452 VanDerWaalsContact O-CG 3.29Å; N450-R452 WeakPolarHBondContact O-CG 3.43Å
451	H	98.1	Very high	93.3	Very high	49 Å²	49	71.6 Å²	71.6	23%	0.227	41%	0.412	C	S	.	.			trans	-51.5	144.7	172.5	-176.9	75.3	0	0	0	112.3	M516 N517 D520 Q526	H451-M516 PolarHBondContact CE1-O 2.98Å; H451-N517 PolarHBondContact NE2-O 3.34Å; H451-N517 VanDerWaalsContact NE2-O 3.09Å; H451-D520 HydrophobicContact CB-CB 3.92Å; H451-D520 WeakPolarHBondContact CB-OD2 3.35Å; H451-D520 IonicContact CG-OD2 3.49Å; H451-Q526 PolarHBondContact ND1-OE1 3.05Å
452	R	98	Very high	93.8	Very high	91 Å²	91	76 Å²	76	34%	0.343	42%	0.419	S	S	.	.			trans	-132.4	139.5	-171.8	-60.7	-174.3	170.8	-164.4	-2.3	111.7	N450 V454 N517 Y528	N450-R452 VanDerWaalsContact O-CG 3.29Å; N450-R452 WeakPolarHBondContact O-CG 3.43Å; R452-V454 HydrophobicContact CB-CG2 3.79Å; R452-V454 PolarHBondContact O-N 3.02Å; R452-N517 PolarHBondContact O-OD1 3.06Å; R452-Y528 VanDerWaalsContact CD-O 3.26Å; R452-Y528 WeakPolarHBondContact CD-O 3.41Å; R452-Y528 VanDerWaalsContact CZ-CZ 3.45Å; R452-Y528 VanDerWaalsContact NH1-CE2 3.28Å; R452-Y528 PolarHBondContact NH1-O 3.1Å; R452-Y528 PolarHBondContact NH1-OH 3.03Å; R452-Y528 VanDerWaalsContact NH2-CZ 3.32Å; R452-Y528 PolarHBondContact NH2-OH 2.99Å; R452-Y528 VanDerWaalsContact NH2-OH 3.11Å
453	I	97.8	Very high	93.8	Very high	136 Å²	136	77.9 Å²	77.9	70%	0.697	43%	0.426	S	S	*	.			trans	-86.6	104.3	165.5	-49.9	-54.6	0	0	0	108.1	N517	I453-N517 HydrophobicContact CD1-CB 4.2Å; I453-N517 WeakPolarHBondContact CD1-O 3.5Å
454	V	97.6	Very high	94.1	Very high	11 Å²	11	78 Å²	78	7%	0.067	42%	0.418	C	S	.	.			trans	-101.9	138.7	-172.3	176.8	0	0	0	0	111	R452 I513 N517 L527 A530	R452-V454 HydrophobicContact CB-CG2 3.79Å; R452-V454 PolarHBondContact O-N 3.02Å; V454-I513 HydrophobicContact CB-CG2 4.38Å; V454-I513 HydrophobicContact CG1-CG2 4.4Å; V454-I513 WeakPolarHBondContact O-CG2 3.48Å; V454-N517 PolarHBondContact N-ND2 3.45Å; V454-N517 PolarHBondContact N-OD1 3.04Å; V454-N517 PolarHBondContact O-ND2 2.9Å; V454-L527 HydrophobicContact CB-CD2 3.68Å; V454-L527 HydrophobicContact CB-CG 4.07Å; V454-L527 HydrophobicContact CG1-CD2 3.91Å; V454-L527 HydrophobicContact CG1-CG 4.2Å; V454-L527 HydrophobicContact CG2-CD2 4.1Å; V454-L527 HydrophobicContact CG2-CG 3.95Å; V454-A530 HydrophobicContact CG1-CB 3.66Å
455	S	96.8	Very high	94.3	Very high	79 Å²	79	78.2 Å²	78.2	55%	0.552	42%	0.418	S	S	*	.			trans	-123.1	147.6	166.4	62.1	0	0	0	0	109.6	K457	S455-K457 PolarHBondContact O-N 3.16Å
456	A	95.6	Very high	94.5	Very high	26 Å²	26	78.7 Å²	78.7	22%	0.215	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	116.3	-179.7	0	0	0	0	0	110.6	I513 A530 E532	A456-I513 HydrophobicContact CB-CD1 4.06Å; A456-A530 HydrophobicContact CB-CB 4.22Å; A456-E532 HydrophobicContact CB-CB 4.09Å
457	K	94.4	Very high	94.6	Very high	103 Å²	103	75.8 Å²	75.8	45%	0.448	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	141.6	-179	-61.5	177.2	-176.6	176	0	110.6	S455 N459 A530 Y531 E532	S455-K457 PolarHBondContact O-N 3.16Å; K457-N459 PolarHBondContact O-N 3.01Å; K457-A530 PolarHBondContact N-O 2.99Å; K457-Y531 HydrophobicContact CB-CD1 4.2Å; K457-Y531 HydrophobicContact CB-CE1 4.28Å; K457-Y531 HydrophobicContact CD-CE1 4.46Å; K457-Y531 CarbonylContact O-C 3.54Å; K457-Y531 WeakPolarHBondContact O-CA 3.21Å; K457-E532 PolarHBondContact O-N 2.89Å
458	P	90.8	Very high	94.6	Very high	114 Å²	114	77.9 Å²	77.9	74%	0.74	40%	0.402	S	S	*	.			trans	-77.3	0.7	-179.9	32.6	-36.5	0	0	0	114.2
459	N	82.9	Confident	94.5	Very high	76 Å²	76	79.9 Å²	79.9	41%	0.406	40%	0.399	S	S	.	.	S	Bend	trans	-73.4	158.1	-174.7	-59.3	72.7	0	0	0	112.6	K457 I461 F464 Y531	K457-N459 PolarHBondContact O-N 3.01Å; N459-I461 PolarHBondContact O-N 3.37Å; N459-F464 HydrophobicContact CB-CE2 4.07Å; N459-Y531 HydrophobicContact CB-CD1 4.32Å; N459-Y531 HydrophobicContact CB-CE1 4.23Å; N459-Y531 WeakPolarHBondContact O-CD1 3.28Å
460	Q	85.4	Confident	94.3	Very high	133 Å²	133	87.5 Å²	87.5	62%	0.621	44%	0.435	S	S	*	.			trans	-71.9	118.5	169.9	-65.5	-174.3	18.6	0	0	110.2	R462 N463	Q460-R462 PolarHBondContact O-N 3.39Å; Q460-R462 VanDerWaalsContact O-N 3.14Å; Q460-N463 PolarHBondContact O-N 2.8Å
461	I	92.3	Very high	94.2	Very high	13 Å²	13	83.7 Å²	83.7	7%	0.067	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-55.7	-32	-180	-168	167.3	0	0	0	113	N459 N463 F464 Y465 I467 Y531 I538 V540	N459-I461 PolarHBondContact O-N 3.37Å; I461-N463 PolarHBondContact O-N 3.07Å; I461-F464 PolarHBondContact O-N 2.53Å; I461-Y465 HydrophobicContact CD1-CD2 4.25Å; I461-Y465 HydrophobicContact CG1-CD2 3.59Å; I461-Y465 HydrophobicContact CG1-CE2 4.42Å; I461-Y465 HydrophobicContact CG1-CG 4.22Å; I461-Y465 PolarHBondContact O-N 3.09Å; I461-I467 HydrophobicContact CD1-CD1 4.19Å; I461-I467 HydrophobicContact CG2-CD1 4.12Å; I461-Y531 HydrophobicContact CB-CD1 4.31Å; I461-Y531 HydrophobicContact CB-CD2 4.09Å; I461-Y531 HydrophobicContact CB-CG 3.92Å; I461-Y531 HydrophobicContact CD1-CD2 3.7Å; I461-Y531 HydrophobicContact CD1-CE2 4.29Å; I461-Y531 HydrophobicContact CD1-CG 4.29Å; I461-Y531 HydrophobicContact CG1-CD2 3.69Å; I461-Y531 HydrophobicContact CG1-CE2 4.01Å; I461-Y531 HydrophobicContact CG1-CG 4.07Å; I461-I538 HydrophobicContact CD1-CB 4.08Å; I461-I538 HydrophobicContact CD1-CD1 4.35Å; I461-I538 HydrophobicContact CD1-CG2 3.58Å; I461-I538 HydrophobicContact CG2-CD1 3.84Å; I461-V540 HydrophobicContact CD1-CG2 3.76Å
462	R	91.5	Very high	94	Very high	177 Å²	177	85 Å²	85	67%	0.668	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-58.1	-23.8	-177.5	-66	-177.7	179	-176.9	-2.3	113.9	Q460 F464 Y465	Q460-R462 PolarHBondContact O-N 3.39Å; Q460-R462 VanDerWaalsContact O-N 3.14Å; R462-F464 VanDerWaalsContact C-N 3.26Å; R462-F464 PolarHBondContact O-N 2.88Å; R462-Y465 WeakPolarHBondContact CA-O 3.48Å
463	N	90.3	Very high	93.7	Very high	109 Å²	109	84 Å²	84	58%	0.583	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-72.4	-24.1	177.4	-65	-2.9	0	0	0	112.1	Q460 I461	Q460-N463 PolarHBondContact O-N 2.8Å; I461-N463 PolarHBondContact O-N 3.07Å
464	F	94.8	Very high	93.2	Very high	92 Å²	92	78.7 Å²	78.7	40%	0.404	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-27.1	-173.3	-56.7	-77.9	0	0	0	112.9	N459 I461 R462 N487 Y531	N459-F464 HydrophobicContact CB-CE2 4.07Å; I461-F464 PolarHBondContact O-N 2.53Å; R462-F464 VanDerWaalsContact C-N 3.26Å; R462-F464 PolarHBondContact O-N 2.88Å; F464-N487 WeakPolarHBondContact O-CB 3.45Å; F464-N487 PolarHBondContact O-N 3.47Å; F464-Y531 AromaticContact CD2-CE1 3.88Å; F464-Y531 HydrophobicContact CD2-CE1 3.88Å; F464-Y531 HydrophobicContact CE2-CE1 4.24Å
465	Y	97.4	Very high	92.4	Very high	9 Å²	9	81.2 Å²	81.2	4%	0.035	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.7	-177.4	-53.4	-98.3	0	0	0	111.6	I461 R462 V485 E486 N487 L493 Y528 A529 Y531 V540	I461-Y465 HydrophobicContact CD1-CD2 4.25Å; I461-Y465 HydrophobicContact CG1-CD2 3.59Å; I461-Y465 HydrophobicContact CG1-CE2 4.42Å; I461-Y465 HydrophobicContact CG1-CG 4.22Å; I461-Y465 PolarHBondContact O-N 3.09Å; R462-Y465 WeakPolarHBondContact CA-O 3.48Å; Y465-V485 CarbonylContact C-O 3.58Å; Y465-V485 VanDerWaalsContact CA-O 3.27Å; Y465-V485 WeakPolarHBondContact CA-O 3.47Å; Y465-E486 HydrophobicContact CD1-CB 3.87Å; Y465-E486 HydrophobicContact CD1-CG 4.28Å; Y465-E486 HydrophobicContact CE1-CB 3.76Å; Y465-E486 HydrophobicContact CE1-CG 3.9Å; Y465-N487 PolarHBondContact N-ND2 2.73Å; Y465-L493 HydrophobicContact CD1-CD1 4.27Å; Y465-L493 HydrophobicContact CE1-CD1 3.74Å; Y465-Y528 HydrophobicContact CE1-CD1 4.06Å; Y465-Y528 AromaticContact CE1-CE1 3.96Å; Y465-Y528 HydrophobicContact CE1-CE1 3.96Å; Y465-Y528 AromaticContact CZ-CE1 3.99Å; Y465-Y528 VanDerWaalsContact OH-CD1 3.28Å; Y465-Y528 WeakPolarHBondContact OH-CD1 3.4Å; Y465-Y528 WeakPolarHBondContact OH-CE1 3.5Å; Y465-A529 WeakPolarHBondContact OH-CB 3.47Å; Y465-Y531 HydrophobicContact CD2-CE2 4.07Å; Y465-Y531 AromaticContact CE2-CE2 3.48Å; Y465-Y531 HydrophobicContact CE2-CE2 3.48Å; Y465-Y531 VanDerWaalsContact CE2-CE2 3.48Å; Y465-Y531 AromaticContact CE2-CZ 3.76Å; Y465-Y531 WeakPolarHBondContact CE2-OH 3.15Å; Y465-V540 HydrophobicContact CD1-CG1 4.2Å; Y465-V540 HydrophobicContact CE1-CG1 3.79Å; Y465-V540 HydrophobicContact CE1-CG2 4.41Å; Y465-V540 HydrophobicContact CE2-CG2 4.35Å
466	T	97.6	Very high	91.3	Very high	88 Å²	88	80 Å²	80	54%	0.54	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	111.1	168.9	-61.8	0	0	0	0	108.5	C484 V485 N487	T466-C484 CarbonylContact O-C 3.53Å; T466-C484 VanDerWaalsContact O-CA 3.24Å; T466-C484 WeakPolarHBondContact O-CA 3.5Å; T466-C484 WeakPolarHBondContact O-CB 3.32Å; T466-V485 PolarHBondContact N-O 3.48Å; T466-V485 PolarHBondContact O-N 3.03Å; T466-N487 PolarHBondContact N-OD1 3.1Å; T466-N487 PolarHBondContact OG1-OD1 2.84Å
467	I	96.9	Very high	90.2	Very high	16 Å²	16	86.6 Å²	86.6	8%	0.082	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.7	177.6	-56.5	174.8	0	0	0	109	I461 W469 H482 C484 A495 I538	I461-I467 HydrophobicContact CD1-CD1 4.19Å; I461-I467 HydrophobicContact CG2-CD1 4.12Å; I467-W469 HydrophobicContact CB-CZ2 4.14Å; I467-W469 HydrophobicContact CD1-CH2 4.14Å; I467-W469 HydrophobicContact CD1-CZ2 3.9Å; I467-W469 HydrophobicContact CG2-CD2 4.11Å; I467-W469 HydrophobicContact CG2-CE3 4.34Å; I467-W469 HydrophobicContact CG2-CH2 4.36Å; I467-W469 HydrophobicContact CG2-CZ2 4.11Å; I467-W469 HydrophobicContact CG2-CZ3 4.46Å; I467-W469 PolarHBondContact O-N 3.4Å; I467-H482 HydrophobicContact CG2-CB 3.59Å; I467-C484 HydrophobicContact CB-CB 4.37Å; I467-C484 HydrophobicContact CG1-CB 4.03Å; I467-A495 HydrophobicContact CD1-CB 4.12Å; I467-A495 HydrophobicContact CG1-CB 4.18Å; I467-A495 HydrophobicContact CG2-CB 4.37Å; I467-I538 HydrophobicContact CD1-CD1 4.48Å
468	N	96.4	Very high	89.2	Confident	59 Å²	59	83.7 Å²	83.7	32%	0.316	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	95.4	172.8	-172	-5	0	0	0	110.3	Q470 E471 K483	N468-Q470 PolarHBondContact O-N 3.27Å; N468-Q470 PolarHBondContact OD1-N 2.89Å; N468-Q470 VanDerWaalsContact OD1-N 3.16Å; N468-E471 HydrophobicContact CB-CB 4.19Å; N468-E471 VanDerWaalsContact ND2-CB 3.3Å; N468-E471 WeakPolarHBondContact ND2-CB 3.49Å; N468-E471 PolarHBondContact ND2-OE2 3.29Å; N468-E471 PolarHBondContact O-N 3.31Å; N468-E471 PolarHBondContact OD1-N 2.94Å; N468-K483 PolarHBondContact N-O 2.95Å
469	W	94.7	Very high	89	Confident	127 Å²	127	79 Å²	79	48%	0.481	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-14.2	-178.6	-60.6	98.9	0	0	0	114.4	I467 H482 V497	I467-W469 HydrophobicContact CB-CZ2 4.14Å; I467-W469 HydrophobicContact CD1-CH2 4.14Å; I467-W469 HydrophobicContact CD1-CZ2 3.9Å; I467-W469 HydrophobicContact CG2-CD2 4.11Å; I467-W469 HydrophobicContact CG2-CE3 4.34Å; I467-W469 HydrophobicContact CG2-CH2 4.36Å; I467-W469 HydrophobicContact CG2-CZ2 4.11Å; I467-W469 HydrophobicContact CG2-CZ3 4.46Å; I467-W469 PolarHBondContact O-N 3.4Å; W469-H482 AromaticContact CE3-CE1 3.87Å; W469-H482 AromaticContact CE3-NE2 3.7Å; W469-H482 AromaticContact CZ3-CD2 4Å; W469-H482 AromaticContact CZ3-NE2 3.83Å; W469-V497 HydrophobicContact CH2-CG2 4.21Å; W469-V497 HydrophobicContact CZ3-CG2 4.14Å
470	Q	93.9	Very high	89.5	Confident	182 Å²	182	80.5 Å²	80.5	85%	0.85	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	-27.7	178.3	-63.9	173.6	-13.5	0	0	112.1	N468 V472	N468-Q470 PolarHBondContact O-N 3.27Å; N468-Q470 PolarHBondContact OD1-N 2.89Å; N468-Q470 VanDerWaalsContact OD1-N 3.16Å; Q470-V472 PolarHBondContact O-N 3.42Å
471	E	94.1	Very high	90	Very high	67 Å²	67	75.8 Å²	75.8	31%	0.313	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	83.6	-178.5	-168.6	176	172.9	0	0	109.9	N468 L473 H482 K483	N468-E471 HydrophobicContact CB-CB 4.19Å; N468-E471 VanDerWaalsContact ND2-CB 3.3Å; N468-E471 WeakPolarHBondContact ND2-CB 3.49Å; N468-E471 PolarHBondContact ND2-OE2 3.29Å; N468-E471 PolarHBondContact O-N 3.31Å; N468-E471 PolarHBondContact OD1-N 2.94Å; E471-L473 HydrophobicContact CG-CD2 4.41Å; E471-H482 WeakPolarHBondContact O-CA 3.34Å; E471-K483 HydrophobicContact CB-CB 4.46Å; E471-K483 HydrophobicContact CG-CB 4.22Å; E471-K483 HydrophobicContact CG-CD 4.41Å; E471-K483 PolarHBondContact O-N 3.47Å; E471-K483 WeakPolarHBondContact OE1-CD 3.14Å; E471-K483 IonicContact OE1-NZ 3.92Å; E471-K483 PolarHBondContact OE1-NZ 3.31Å; E471-K483 WeakPolarHBondContact OE2-CD 3.45Å; E471-K483 IonicContact OE2-NZ 3Å
472	V	94.2	Very high	90.2	Very high	76 Å²	76	75.4 Å²	75.4	46%	0.461	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.5	173.7	-177.4	0	0	0	0	108.6	Q470	Q470-V472 PolarHBondContact O-N 3.42Å
473	L	91.7	Very high	90.5	Very high	70 Å²	70	69.4 Å²	69.4	37%	0.366	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-27.2	178.7	-57.7	178.8	0	0	0	112.2	E471 V481 K483 A494 Y543	E471-L473 HydrophobicContact CG-CD2 4.41Å; L473-V481 HydrophobicContact CB-CB 4.4Å; L473-V481 HydrophobicContact CB-CG1 4.19Å; L473-V481 HydrophobicContact CD1-CG1 4.28Å; L473-V481 PolarHBondContact N-O 2.7Å; L473-K483 HydrophobicContact CD1-CB 4.17Å; L473-K483 HydrophobicContact CD2-CB 4.28Å; L473-K483 HydrophobicContact CG-CB 4.33Å; L473-A494 HydrophobicContact CD1-CB 3.96Å; L473-Y543 HydrophobicContact CD1-CD2 3.69Å; L473-Y543 HydrophobicContact CD1-CE2 3.59Å; L473-Y543 HydrophobicContact CD2-CE2 3.84Å; L473-Y543 HydrophobicContact CG-CE2 4.38Å
474	G	87.7	Confident	90.9	Very high	26 Å²	26	64.2 Å²	64.2	27%	0.268	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178	162.7	179.5	0	0	0	0	0	110.9	V481	G474-V481 PolarHBondContact O-N 2.64Å
475	G	80.6	Confident	91	Very high	63 Å²	63	62.4 Å²	62.4	65%	0.649	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.5	140.5	179.7	0	0	0	0	0	112.7	G479	G475-G479 WeakPolarHBondContact CA-O 3.21Å
476	G	73.5	Confident	91.1	Very high	54 Å²	54	63.2 Å²	63.2	56%	0.557	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-168	-159.3	-179.6	0	0	0	0	0	113	F478 G479	G476-F478 PolarHBondContact O-N 3.32Å; G476-F478 VanDerWaalsContact O-N 3.14Å; G476-G479 PolarHBondContact N-O 3.3Å; G476-G479 PolarHBondContact O-N 2.93Å; G476-G479 VanDerWaalsContact O-N 3.08Å
477	R	72.2	Confident	91	Very high	165 Å²	165	62.9 Å²	62.9	62%	0.623	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.5	178.5	179.2	-179.3	172.2	179.9	0.2	112.8	G479 N624	R477-G479 VanDerWaalsContact C-N 3.31Å; R477-G479 PolarHBondContact O-N 3.49Å; R477-N624 PolarHBondContact NH1-O 3.5Å
478	F	74.4	Confident	91	Very high	41 Å²	41	67.2 Å²	67.2	18%	0.18	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	7.3	-176	-53.9	-71.1	0	0	0	113.8	G476 I498 D588 D608 L611	G476-F478 PolarHBondContact O-N 3.32Å; G476-F478 VanDerWaalsContact O-N 3.14Å; F478-I498 WeakPolarHBondContact O-CG1 3.4Å; F478-D588 WeakPolarHBondContact CE2-OD2 3.4Å; F478-D608 VanDerWaalsContact CD2-OD2 3.22Å; F478-D608 WeakPolarHBondContact CD2-OD2 3.21Å; F478-L611 HydrophobicContact CE1-CD2 4.23Å; F478-L611 HydrophobicContact CE1-CG 4.49Å; F478-L611 HydrophobicContact CZ-CD2 4.35Å; F478-L611 HydrophobicContact CZ-CG 4.2Å
479	G	86.3	Confident	91	Very high	17 Å²	17	67.9 Å²	67.9	18%	0.175	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.6	-172.7	178.1	0	0	0	0	0	113.4	G475 G476 R477 V497	G475-G479 WeakPolarHBondContact CA-O 3.21Å; G476-G479 PolarHBondContact N-O 3.3Å; G476-G479 PolarHBondContact O-N 2.93Å; G476-G479 VanDerWaalsContact O-N 3.08Å; R477-G479 VanDerWaalsContact C-N 3.31Å; R477-G479 PolarHBondContact O-N 3.49Å; G479-V497 VanDerWaalsContact CA-O 3.28Å; G479-V497 WeakPolarHBondContact CA-O 3.36Å
480	Q	93.8	Very high	91.1	Very high	107 Å²	107	64 Å²	64	50%	0.5	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.7	174.7	-73.6	-175.4	12.7	0	0	110.3	V497	Q480-V497 PolarHBondContact N-O 3.43Å; Q480-V497 PolarHBondContact O-N 2.75Å
481	V	95.7	Very high	91.3	Very high	33 Å²	33	57.3 Å²	57.3	20%	0.2	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.7	177.5	-171	0	0	0	0	108.7	L473 G474 A494 A495 K496	L473-V481 HydrophobicContact CB-CB 4.4Å; L473-V481 HydrophobicContact CB-CG1 4.19Å; L473-V481 HydrophobicContact CD1-CG1 4.28Å; L473-V481 PolarHBondContact N-O 2.7Å; G474-V481 PolarHBondContact O-N 2.64Å; V481-A494 HydrophobicContact CG1-CB 3.96Å; V481-A495 WeakPolarHBondContact CA-O 3.29Å; V481-K496 HydrophobicContact CG2-CB 4.1Å; V481-K496 HydrophobicContact CG2-CG 4.03Å
482	H	97.1	Very high	91.5	Very high	5 Å²	5	56.7 Å²	56.7	2%	0.023	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.7	178.1	-63.2	-87.7	0	0	0	110.3	I467 W469 E471 A494 A495	I467-H482 HydrophobicContact CG2-CB 3.59Å; W469-H482 AromaticContact CE3-CE1 3.87Å; W469-H482 AromaticContact CE3-NE2 3.7Å; W469-H482 AromaticContact CZ3-CD2 4Å; W469-H482 AromaticContact CZ3-NE2 3.83Å; E471-H482 WeakPolarHBondContact O-CA 3.34Å; H482-A494 CarbonylContact O-C 3.54Å; H482-A494 WeakPolarHBondContact O-CA 3.39Å; H482-A495 PolarHBondContact N-O 3.13Å; H482-A495 PolarHBondContact O-N 3.48Å
483	K	97.5	Very high	91.7	Very high	51 Å²	51	53 Å²	53	22%	0.222	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	141.5	166.6	-166.2	175.1	-177.8	177.7	0	110.2	N468 E471 L473 T492 Y543	N468-K483 PolarHBondContact N-O 2.95Å; E471-K483 HydrophobicContact CB-CB 4.46Å; E471-K483 HydrophobicContact CG-CB 4.22Å; E471-K483 HydrophobicContact CG-CD 4.41Å; E471-K483 PolarHBondContact O-N 3.47Å; E471-K483 WeakPolarHBondContact OE1-CD 3.14Å; E471-K483 IonicContact OE1-NZ 3.92Å; E471-K483 PolarHBondContact OE1-NZ 3.31Å; E471-K483 WeakPolarHBondContact OE2-CD 3.45Å; E471-K483 IonicContact OE2-NZ 3Å; L473-K483 HydrophobicContact CD1-CB 4.17Å; L473-K483 HydrophobicContact CD2-CB 4.28Å; L473-K483 HydrophobicContact CG-CB 4.33Å; K483-T492 HydrophobicContact CD-CG2 4.36Å; K483-T492 HydrophobicContact CG-CG2 4.08Å; K483-Y543 HydrophobicContact CD-CE2 4.21Å; K483-Y543 HydrophobicContact CG-CD2 4.34Å; K483-Y543 HydrophobicContact CG-CE2 4.17Å
484	C	97.9	Very high	92	Very high	1 Å²	1	50 Å²	50	1%	0.007	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	164.8	174.2	70.7	0	0	0	0	111.8	T466 I467 L493 A495	T466-C484 CarbonylContact O-C 3.53Å; T466-C484 VanDerWaalsContact O-CA 3.24Å; T466-C484 WeakPolarHBondContact O-CA 3.5Å; T466-C484 WeakPolarHBondContact O-CB 3.32Å; I467-C484 HydrophobicContact CB-CB 4.37Å; I467-C484 HydrophobicContact CG1-CB 4.03Å; C484-L493 PolarHBondContact N-O 3.13Å; C484-L493 PolarHBondContact O-N 2.9Å; C484-L493 VanDerWaalsContact O-O 3.05Å; C484-A495 HydrophobicContact CB-CB 4.11Å
485	V	98.1	Very high	92.5	Very high	54 Å²	54	48.8 Å²	48.8	33%	0.327	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.5	177.9	-179.8	0	0	0	0	108.8	Y465 T466 L491	Y465-V485 CarbonylContact C-O 3.58Å; Y465-V485 VanDerWaalsContact CA-O 3.27Å; Y465-V485 WeakPolarHBondContact CA-O 3.47Å; T466-V485 PolarHBondContact N-O 3.48Å; T466-V485 PolarHBondContact O-N 3.03Å; V485-L491 WeakPolarHBondContact CA-O 3.34Å
486	E	98.1	Very high	93.3	Very high	26 Å²	26	46.3 Å²	46.3	12%	0.121	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.7	170.5	-174.5	-177.5	-125.1	0	0	110	Y465 S488 S489 G490 L491 L493 Y528	Y465-E486 HydrophobicContact CD1-CB 3.87Å; Y465-E486 HydrophobicContact CD1-CG 4.28Å; Y465-E486 HydrophobicContact CE1-CB 3.76Å; Y465-E486 HydrophobicContact CE1-CG 3.9Å; E486-S488 VanDerWaalsContact C-N 3.28Å; E486-S488 PolarHBondContact O-N 3.33Å; E486-S489 PolarHBondContact O-N 3.4Å; E486-S489 VanDerWaalsContact OE2-CB 3.28Å; E486-S489 WeakPolarHBondContact OE2-CB 3.46Å; E486-S489 PolarHBondContact OE2-OG 3.42Å; E486-G490 WeakPolarHBondContact O-CA 3.44Å; E486-G490 PolarHBondContact O-N 3.3Å; E486-L491 HydrophobicContact CB-CB 4.42Å; E486-L491 PolarHBondContact N-O 3.14Å; E486-L493 HydrophobicContact CB-CD1 4.35Å; E486-Y528 VanDerWaalsContact CD-OH 3.24Å; E486-Y528 VanDerWaalsContact OE1-CE1 3.3Å; E486-Y528 WeakPolarHBondContact OE1-CE1 3.44Å; E486-Y528 PolarHBondContact OE1-OH 3.2Å; E486-Y528 PolarHBondContact OE2-OH 2.97Å; E486-Y528 VanDerWaalsContact OE2-OH 3.13Å
487	N	97	Very high	94.3	Very high	80 Å²	80	44.1 Å²	44.1	43%	0.428	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-30	-171.1	-65.4	-14.6	0	0	0	113.1	F464 Y465 T466	F464-N487 WeakPolarHBondContact O-CB 3.45Å; F464-N487 PolarHBondContact O-N 3.47Å; Y465-N487 PolarHBondContact N-ND2 2.73Å; T466-N487 PolarHBondContact N-OD1 3.1Å; T466-N487 PolarHBondContact OG1-OD1 2.84Å
488	S	96.6	Very high	95.4	Very high	108 Å²	108	37.1 Å²	37.1	76%	0.755	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-34.6	-176.1	49.3	0	0	0	0	114	E486	E486-S488 VanDerWaalsContact C-N 3.28Å; E486-S488 PolarHBondContact O-N 3.33Å
489	S	96.8	Very high	96.4	Very high	72 Å²	72	41.3 Å²	41.3	50%	0.503	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-19.8	-172.9	65.9	0	0	0	0	113.5	E486 L491	E486-S489 PolarHBondContact O-N 3.4Å; E486-S489 VanDerWaalsContact OE2-CB 3.28Å; E486-S489 WeakPolarHBondContact OE2-CB 3.46Å; E486-S489 PolarHBondContact OE2-OG 3.42Å; S489-L491 PolarHBondContact O-N 3.39Å; S489-L491 WeakPolarHBondContact OG-CB 3.39Å; S489-L491 PolarHBondContact OG-N 3.46Å
490	G	97.1	Very high	96.7	Very high	47 Å²	47	40.5 Å²	40.5	49%	0.485	23%	0.234	S	C	.	.			trans	75	7.6	-168.3	0	0	0	0	0	113.8	E486 T492	E486-G490 WeakPolarHBondContact O-CA 3.44Å; E486-G490 PolarHBondContact O-N 3.3Å; G490-T492 PolarHBondContact O-N 3.31Å
491	L	97.9	Very high	96.7	Very high	40 Å²	40	44.9 Å²	44.9	21%	0.209	25%	0.246	C	C	.	.			trans	-64.1	125.2	-179.7	-177.5	62.7	0	0	0	110.9	P448 F449 V485 E486 S489 L493 Y528	P448-L491 HydrophobicContact CB-CD1 4.09Å; P448-L491 HydrophobicContact CG-CD1 3.97Å; F449-L491 HydrophobicContact CD1-CD2 4.15Å; V485-L491 WeakPolarHBondContact CA-O 3.34Å; E486-L491 HydrophobicContact CB-CB 4.42Å; E486-L491 PolarHBondContact N-O 3.14Å; S489-L491 PolarHBondContact O-N 3.39Å; S489-L491 WeakPolarHBondContact OG-CB 3.39Å; S489-L491 PolarHBondContact OG-N 3.46Å; L491-L493 HydrophobicContact CD2-CD1 4.34Å; L491-L493 HydrophobicContact CD2-CD2 4.07Å; L491-L493 HydrophobicContact CD2-CG 4.33Å; L491-L493 HydrophobicContact CG-CD1 4.44Å; L491-L493 HydrophobicContact CG-CD2 4.2Å; L491-L493 HydrophobicContact CG-CG 4.13Å; L491-Y528 HydrophobicContact CD2-CE2 3.9Å
492	T	98.1	Very high	96.6	Very high	54 Å²	54	45.7 Å²	45.7	33%	0.331	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.2	176.5	-60.1	0	0	0	0	110.5	K483 G490 Y543	K483-T492 HydrophobicContact CD-CG2 4.36Å; K483-T492 HydrophobicContact CG-CG2 4.08Å; G490-T492 PolarHBondContact O-N 3.31Å; T492-Y543 HydrophobicContact CG2-CD1 3.9Å; T492-Y543 HydrophobicContact CG2-CE1 4.4Å; T492-Y543 HydrophobicContact CG2-CG 3.96Å
493	L	98.3	Very high	96.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	176.6	-172.9	-66.2	166.7	0	0	0	109.7	F449 Y465 C484 E486 L491 Y528 V540 L541	F449-L493 HydrophobicContact CD1-CD2 4.23Å; F449-L493 HydrophobicContact CE1-CD2 3.63Å; F449-L493 HydrophobicContact CZ-CD2 4.44Å; Y465-L493 HydrophobicContact CD1-CD1 4.27Å; Y465-L493 HydrophobicContact CE1-CD1 3.74Å; C484-L493 PolarHBondContact N-O 3.13Å; C484-L493 PolarHBondContact O-N 2.9Å; C484-L493 VanDerWaalsContact O-O 3.05Å; E486-L493 HydrophobicContact CB-CD1 4.35Å; L491-L493 HydrophobicContact CD2-CD1 4.34Å; L491-L493 HydrophobicContact CD2-CD2 4.07Å; L491-L493 HydrophobicContact CD2-CG 4.33Å; L491-L493 HydrophobicContact CG-CD1 4.44Å; L491-L493 HydrophobicContact CG-CD2 4.2Å; L491-L493 HydrophobicContact CG-CG 4.13Å; L493-Y528 HydrophobicContact CD1-CD1 3.59Å; L493-Y528 HydrophobicContact CD1-CD2 4.43Å; L493-Y528 HydrophobicContact CD1-CE1 3.81Å; L493-Y528 HydrophobicContact CD1-CG 3.93Å; L493-Y528 HydrophobicContact CD2-CD2 4.28Å; L493-Y528 HydrophobicContact CD2-CG 4.18Å; L493-V540 HydrophobicContact CB-CG1 3.88Å; L493-V540 HydrophobicContact CD1-CG1 3.63Å; L493-V540 HydrophobicContact CG-CG1 4.27Å; L493-L541 WeakPolarHBondContact CB-O 3.42Å; L493-L541 WeakPolarHBondContact CD2-O 3.03Å
494	A	98	Very high	96.3	Very high	7 Å²	7	55.7 Å²	55.7	6%	0.058	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.7	171.9	0	0	0	0	0	110.6	L473 V481 H482 V540 L541	L473-A494 HydrophobicContact CD1-CB 3.96Å; V481-A494 HydrophobicContact CG1-CB 3.96Å; H482-A494 CarbonylContact O-C 3.54Å; H482-A494 WeakPolarHBondContact O-CA 3.39Å; A494-V540 CarbonylContact O-C 3.57Å; A494-V540 WeakPolarHBondContact O-CA 3.47Å; A494-L541 HydrophobicContact CB-CB 4.36Å; A494-L541 PolarHBondContact N-O 3.41Å; A494-L541 PolarHBondContact O-N 3.33Å
495	A	97.6	Very high	96	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	104.7	178.4	0	0	0	0	0	110.1	I467 V481 H482 C484 I538 L539	I467-A495 HydrophobicContact CD1-CB 4.12Å; I467-A495 HydrophobicContact CG1-CB 4.18Å; I467-A495 HydrophobicContact CG2-CB 4.37Å; V481-A495 WeakPolarHBondContact CA-O 3.29Å; H482-A495 PolarHBondContact N-O 3.13Å; H482-A495 PolarHBondContact O-N 3.48Å; C484-A495 HydrophobicContact CB-CB 4.11Å; A495-I538 HydrophobicContact CB-CG2 4.1Å; A495-L539 CarbonylContact C-O 3.45Å; A495-L539 WeakPolarHBondContact CA-O 3.4Å
496	K	96.6	Very high	95.8	Very high	11 Å²	11	57.7 Å²	57.7	5%	0.048	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	108.8	173	-175.5	178.5	-176.8	-176.2	0	109	V481 I498 E512 I538 L539 L541 D608	V481-K496 HydrophobicContact CG2-CB 4.1Å; V481-K496 HydrophobicContact CG2-CG 4.03Å; K496-I498 HydrophobicContact CD-CD1 4.18Å; K496-I498 HydrophobicContact CD-CG1 4.46Å; K496-I498 HydrophobicContact CG-CD1 4.24Å; K496-I498 HydrophobicContact CG-CG1 3.99Å; K496-E512 IonicContact NZ-OE1 2.91Å; K496-E512 PolarHBondContact NZ-OE1 2.89Å; K496-I538 WeakPolarHBondContact O-CA 3.49Å; K496-L539 HydrophobicContact CB-CB 4.31Å; K496-L539 HydrophobicContact CD-CD1 4.49Å; K496-L539 PolarHBondContact N-O 3.35Å; K496-L539 PolarHBondContact O-N 2.83Å; K496-L541 HydrophobicContact CB-CD1 3.87Å; K496-L541 HydrophobicContact CD-CD1 4.32Å; K496-D608 IonicContact NZ-OD1 2.83Å; K496-D608 PolarHBondContact NZ-OD1 3.03Å; K496-D608 IonicContact NZ-OD2 2.77Å; K496-D608 PolarHBondContact NZ-OD2 2.69Å
497	V	95.9	Very high	95.6	Very high	8 Å²	8	60.3 Å²	60.3	5%	0.048	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	104.7	-178	-176.8	0	0	0	0	109.5	W469 G479 Q480 I538	W469-V497 HydrophobicContact CH2-CG2 4.21Å; W469-V497 HydrophobicContact CZ3-CG2 4.14Å; G479-V497 VanDerWaalsContact CA-O 3.28Å; G479-V497 WeakPolarHBondContact CA-O 3.36Å; Q480-V497 PolarHBondContact N-O 3.43Å; Q480-V497 PolarHBondContact O-N 2.75Å; V497-I538 HydrophobicContact CG1-CG1 4.26Å; V497-I538 HydrophobicContact CG2-CD1 4.42Å; V497-I538 HydrophobicContact CG2-CG1 4.19Å; V497-I538 HydrophobicContact CG2-CG2 4.3Å
498	I	95.3	Very high	95.4	Very high	17 Å²	17	61.9 Å²	61.9	9%	0.087	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.2	-176	-45.3	-174.7	0	0	0	109.3	F478 K496 A500 V509 D536 I537 L539	F478-I498 WeakPolarHBondContact O-CG1 3.4Å; K496-I498 HydrophobicContact CD-CD1 4.18Å; K496-I498 HydrophobicContact CD-CG1 4.46Å; K496-I498 HydrophobicContact CG-CD1 4.24Å; K496-I498 HydrophobicContact CG-CG1 3.99Å; I498-A500 PolarHBondContact O-N 3.25Å; I498-V509 HydrophobicContact CB-CG2 4.27Å; I498-V509 HydrophobicContact CD1-CG1 3.82Å; I498-V509 HydrophobicContact CD1-CG2 4.12Å; I498-V509 HydrophobicContact CG2-CG2 3.73Å; I498-D536 CarbonylContact O-C 3.39Å; I498-D536 WeakPolarHBondContact O-CA 3.49Å; I498-D536 WeakPolarHBondContact O-CB 3.46Å; I498-I537 WeakPolarHBondContact CB-O 3.35Å; I498-I537 PolarHBondContact N-O 3.46Å; I498-I537 PolarHBondContact O-N 3.11Å; I498-L539 HydrophobicContact CD1-CD1 3.87Å; I498-L539 HydrophobicContact CD1-CG 4.13Å
499	K	94.2	Very high	95.3	Very high	130 Å²	130	57.2 Å²	57.2	57%	0.565	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	119.5	176.2	-62.2	-47.1	-171.3	-164.2	0	109.8	D536	K499-D536 HydrophobicContact CD-CB 4.06Å; K499-D536 IonicContact NZ-OD2 2.93Å; K499-D536 PolarHBondContact NZ-OD2 3.41Å
500	A	93.3	Very high	95.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.			trans	-143.2	99.3	-177.7	0	0	0	0	0	108.9	I498 E505 K506 N535	I498-A500 PolarHBondContact O-N 3.25Å; A500-E505 HydrophobicContact CB-CB 3.84Å; A500-K506 HydrophobicContact CB-CG 3.74Å; A500-K506 WeakPolarHBondContact O-CE 3.29Å; A500-N535 CarbonylContact C-O 3.5Å; A500-N535 PolarHBondContact N-O 2.99Å; A500-N535 CarbonylContact O-C 3.58Å
501	R	93.2	Very high	95	Very high	199 Å²	199	58.3 Å²	58.3	75%	0.751	28%	0.277	S	S	*	.			trans	-96.3	-33.8	-175.7	-64.5	179.5	-176.6	150.4	0.9	111.7	E505 N535	R501-E505 PolarHBondContact N-OE2 3.03Å; R501-N535 HydrophobicContact CG-CB 4.43Å
502	S	94.9	Very high	94.9	Very high	49 Å²	49	56.9 Å²	56.9	34%	0.343	27%	0.27	S	S	.	.	S	Bend	trans	-91.2	154.6	177.5	68.3	0	0	0	0	111.4	K504 E505 K506	S502-K504 PolarHBondContact O-N 3.31Å; S502-E505 PolarHBondContact N-OE2 3.14Å; S502-E505 PolarHBondContact O-N 3.37Å; S502-E505 VanDerWaalsContact OG-CD 3.24Å; S502-E505 WeakPolarHBondContact OG-CG 3.16Å; S502-E505 PolarHBondContact OG-N 3.05Å; S502-E505 PolarHBondContact OG-OE2 3.3Å; S502-K506 WeakPolarHBondContact O-CG 3.49Å; S502-K506 PolarHBondContact O-N 3.07Å; S502-K506 VanDerWaalsContact O-N 3.13Å
503	Q	94	Very high	94.9	Very high	107 Å²	107	54.4 Å²	54.4	50%	0.5	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-38.8	174.3	-170.2	57.4	45.1	0	0	111.5	E505 K506 D507	Q503-E505 PolarHBondContact O-N 2.74Å; Q503-K506 WeakPolarHBondContact O-CB 3.39Å; Q503-K506 PolarHBondContact O-N 3.19Å; Q503-K506 VanDerWaalsContact O-N 3.15Å; Q503-D507 PolarHBondContact NE2-OD1 2.98Å; Q503-D507 PolarHBondContact O-N 3.06Å
504	K	92.7	Very high	94.8	Very high	159 Å²	159	59.4 Å²	59.4	69%	0.691	28%	0.278	S	S	*	.	H	α-helix	trans	-59.5	-43.5	177.3	-174.3	-178.3	177.4	-174.8	0	112.7	S502 K506 D507 M508	S502-K504 PolarHBondContact O-N 3.31Å; K504-K506 VanDerWaalsContact C-N 3.34Å; K504-D507 PolarHBondContact O-N 3.46Å; K504-M508 WeakPolarHBondContact O-CG 3.22Å; K504-M508 PolarHBondContact O-N 3.32Å; K504-M508 VanDerWaalsContact O-N 3.1Å
505	E	92.7	Very high	94.8	Very high	76 Å²	76	59.1 Å²	59.1	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-41.9	175.3	-71.8	160.9	156.7	0	0	111.5	A500 R501 S502 Q503 D507 M508 V509	A500-E505 HydrophobicContact CB-CB 3.84Å; R501-E505 PolarHBondContact N-OE2 3.03Å; S502-E505 PolarHBondContact N-OE2 3.14Å; S502-E505 PolarHBondContact O-N 3.37Å; S502-E505 VanDerWaalsContact OG-CD 3.24Å; S502-E505 WeakPolarHBondContact OG-CG 3.16Å; S502-E505 PolarHBondContact OG-N 3.05Å; S502-E505 PolarHBondContact OG-OE2 3.3Å; Q503-E505 PolarHBondContact O-N 2.74Å; E505-D507 VanDerWaalsContact C-N 3.33Å; E505-D507 PolarHBondContact O-N 3.08Å; E505-M508 HydrophobicContact CB-CE 4.34Å; E505-M508 HydrophobicContact CG-CE 4.05Å; E505-M508 PolarHBondContact O-N 2.97Å; E505-V509 PolarHBondContact O-N 3.36Å; E505-V509 VanDerWaalsContact O-N 3.17Å
506	K	94.3	Very high	94.8	Very high	21 Å²	21	59.4 Å²	59.4	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-40.5	176.5	-68.7	174.9	161.8	-154	0	112.1	A500 S502 Q503 K504 M508 V509 K510 E532 S533 I537	A500-K506 HydrophobicContact CB-CG 3.74Å; A500-K506 WeakPolarHBondContact O-CE 3.29Å; S502-K506 WeakPolarHBondContact O-CG 3.49Å; S502-K506 PolarHBondContact O-N 3.07Å; S502-K506 VanDerWaalsContact O-N 3.13Å; Q503-K506 WeakPolarHBondContact O-CB 3.39Å; Q503-K506 PolarHBondContact O-N 3.19Å; Q503-K506 VanDerWaalsContact O-N 3.15Å; K504-K506 VanDerWaalsContact C-N 3.34Å; K506-M508 VanDerWaalsContact C-N 3.32Å; K506-M508 PolarHBondContact O-N 3.2Å; K506-V509 PolarHBondContact O-N 3.38Å; K506-K510 WeakPolarHBondContact O-CB 3.44Å; K506-K510 VanDerWaalsContact O-CG 3.31Å; K506-K510 WeakPolarHBondContact O-CG 3.4Å; K506-K510 PolarHBondContact O-N 3.08Å; K506-E532 WeakPolarHBondContact CD-OE1 3.21Å; K506-E532 WeakPolarHBondContact CE-OE1 3.01Å; K506-E532 IonicContact NZ-OE1 3.96Å; K506-E532 PolarHBondContact NZ-OE1 3.03Å; K506-S533 WeakPolarHBondContact CE-O 3.45Å; K506-S533 PolarHBondContact NZ-O 3.16Å; K506-I537 HydrophobicContact CB-CD1 3.86Å; K506-I537 HydrophobicContact CG-CD1 3.95Å; K506-I537 HydrophobicContact CG-CG1 4.49Å
507	D	93.8	Very high	94.9	Very high	81 Å²	81	59.4 Å²	59.4	43%	0.433	28%	0.277	S	S	.	.	H	α-helix	trans	-66.4	-35	178	-62.9	-21.4	0	0	0	111.6	Q503 K504 E505 K510 N511	Q503-D507 PolarHBondContact NE2-OD1 2.98Å; Q503-D507 PolarHBondContact O-N 3.06Å; K504-D507 PolarHBondContact O-N 3.46Å; E505-D507 VanDerWaalsContact C-N 3.33Å; E505-D507 PolarHBondContact O-N 3.08Å; D507-K510 PolarHBondContact O-N 3.02Å; D507-N511 PolarHBondContact O-N 3.13Å
508	M	91.6	Very high	95	Very high	113 Å²	113	62.8 Å²	62.8	56%	0.557	30%	0.295	S	S	*	.	H	α-helix	trans	-63	-45.1	172.7	-70.5	-173.3	-64.3	0	0	111.9	K504 E505 K506 K510 N511 E512	K504-M508 WeakPolarHBondContact O-CG 3.22Å; K504-M508 PolarHBondContact O-N 3.32Å; K504-M508 VanDerWaalsContact O-N 3.1Å; E505-M508 HydrophobicContact CB-CE 4.34Å; E505-M508 HydrophobicContact CG-CE 4.05Å; E505-M508 PolarHBondContact O-N 2.97Å; K506-M508 VanDerWaalsContact C-N 3.32Å; K506-M508 PolarHBondContact O-N 3.2Å; M508-K510 VanDerWaalsContact C-N 3.35Å; M508-N511 WeakPolarHBondContact O-CB 3.43Å; M508-N511 PolarHBondContact O-N 3.25Å; M508-E512 PolarHBondContact O-N 2.79Å; M508-E512 VanDerWaalsContact O-N 3.14Å
509	V	94.7	Very high	95.1	Very high	10 Å²	10	62 Å²	62	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-68.3	-35.3	176.2	-179	0	0	0	0	111.5	I498 E505 K506 N511 E512 I513 I537 L539	I498-V509 HydrophobicContact CB-CG2 4.27Å; I498-V509 HydrophobicContact CD1-CG1 3.82Å; I498-V509 HydrophobicContact CD1-CG2 4.12Å; I498-V509 HydrophobicContact CG2-CG2 3.73Å; E505-V509 PolarHBondContact O-N 3.36Å; E505-V509 VanDerWaalsContact O-N 3.17Å; K506-V509 PolarHBondContact O-N 3.38Å; V509-N511 VanDerWaalsContact C-N 3.27Å; V509-N511 PolarHBondContact O-N 2.77Å; V509-E512 WeakPolarHBondContact O-CB 3.42Å; V509-E512 PolarHBondContact O-N 3.27Å; V509-I513 WeakPolarHBondContact O-CG1 3.39Å; V509-I513 PolarHBondContact O-N 3.47Å; V509-I537 HydrophobicContact CB-CB 4.49Å; V509-I537 HydrophobicContact CB-CD1 3.85Å; V509-I537 HydrophobicContact CG1-CB 3.91Å; V509-I537 HydrophobicContact CG1-CD1 4.04Å; V509-I537 HydrophobicContact CG1-CG2 3.59Å; V509-L539 HydrophobicContact CG1-CD2 4.15Å
510	K	95.3	Very high	95.2	Very high	66 Å²	66	60.4 Å²	60.4	29%	0.287	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-34.5	173	-74.2	173.7	-176.3	-179.6	0	111.8	K506 D507 M508 I513 Q514 E532	K506-K510 WeakPolarHBondContact O-CB 3.44Å; K506-K510 VanDerWaalsContact O-CG 3.31Å; K506-K510 WeakPolarHBondContact O-CG 3.4Å; K506-K510 PolarHBondContact O-N 3.08Å; D507-K510 PolarHBondContact O-N 3.02Å; M508-K510 VanDerWaalsContact C-N 3.35Å; K510-I513 WeakPolarHBondContact O-CB 3.45Å; K510-I513 PolarHBondContact O-N 3.43Å; K510-Q514 WeakPolarHBondContact O-CG 3.49Å; K510-Q514 PolarHBondContact O-N 3.08Å; K510-E532 WeakPolarHBondContact CE-OE2 3.21Å; K510-E532 IonicContact NZ-OE1 2.88Å; K510-E532 IonicContact NZ-OE2 2.8Å; K510-E532 PolarHBondContact NZ-OE2 2.87Å
511	N	93.2	Very high	95.5	Very high	76 Å²	76	62.8 Å²	62.8	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-41.5	171.7	-176.5	72.4	0	0	0	111.8	D507 M508 V509 I513 Q514 V515	D507-N511 PolarHBondContact O-N 3.13Å; M508-N511 WeakPolarHBondContact O-CB 3.43Å; M508-N511 PolarHBondContact O-N 3.25Å; V509-N511 VanDerWaalsContact C-N 3.27Å; V509-N511 PolarHBondContact O-N 2.77Å; N511-I513 VanDerWaalsContact C-N 3.34Å; N511-I513 PolarHBondContact O-N 3.07Å; N511-Q514 PolarHBondContact O-N 2.8Å; N511-V515 WeakPolarHBondContact O-CG2 3.39Å; N511-V515 PolarHBondContact O-N 3.25Å
512	E	95.1	Very high	95.6	Very high	11 Å²	11	54.4 Å²	54.4	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-57	-46.3	171.9	-177.5	179.8	-176.9	0	0	111	K496 M508 V509 Q514 V515 M516 L539 F609	K496-E512 IonicContact NZ-OE1 2.91Å; K496-E512 PolarHBondContact NZ-OE1 2.89Å; M508-E512 PolarHBondContact O-N 2.79Å; M508-E512 VanDerWaalsContact O-N 3.14Å; V509-E512 WeakPolarHBondContact O-CB 3.42Å; V509-E512 PolarHBondContact O-N 3.27Å; E512-Q514 PolarHBondContact O-N 3.01Å; E512-V515 PolarHBondContact O-N 3.39Å; E512-M516 WeakPolarHBondContact O-CG 3.44Å; E512-M516 PolarHBondContact O-N 2.98Å; E512-L539 HydrophobicContact CG-CD1 4.48Å; E512-F609 HydrophobicContact CG-CB 4.33Å
513	I	97.6	Very high	95.8	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-46.3	174.2	-65.8	166.8	0	0	0	111.4	V454 A456 V509 K510 N511 V515 M516 N517 L527 A530 L539	V454-I513 HydrophobicContact CB-CG2 4.38Å; V454-I513 HydrophobicContact CG1-CG2 4.4Å; V454-I513 WeakPolarHBondContact O-CG2 3.48Å; A456-I513 HydrophobicContact CB-CD1 4.06Å; V509-I513 WeakPolarHBondContact O-CG1 3.39Å; V509-I513 PolarHBondContact O-N 3.47Å; K510-I513 WeakPolarHBondContact O-CB 3.45Å; K510-I513 PolarHBondContact O-N 3.43Å; N511-I513 VanDerWaalsContact C-N 3.34Å; N511-I513 PolarHBondContact O-N 3.07Å; I513-V515 VanDerWaalsContact C-N 3.33Å; I513-V515 PolarHBondContact O-N 3.21Å; I513-M516 PolarHBondContact O-N 3.43Å; I513-N517 PolarHBondContact O-N 3.28Å; I513-N517 PolarHBondContact O-ND2 3.38Å; I513-N517 PolarHBondContact O-OD1 3.26Å; I513-L527 HydrophobicContact CB-CD2 4.28Å; I513-L527 HydrophobicContact CG1-CD2 4.23Å; I513-L527 HydrophobicContact CG2-CD2 3.88Å; I513-A530 HydrophobicContact CD1-CB 3.59Å; I513-A530 HydrophobicContact CG1-CB 4.29Å; I513-L539 HydrophobicContact CD1-CD2 3.71Å; I513-L539 HydrophobicContact CG1-CD2 3.59Å
514	Q	97.2	Very high	96	Very high	104 Å²	104	47.1 Å²	47.1	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-38.8	178.9	-69.1	-55.3	-55.9	0	0	112.3	K510 N511 E512 N518	K510-Q514 WeakPolarHBondContact O-CG 3.49Å; K510-Q514 PolarHBondContact O-N 3.08Å; N511-Q514 PolarHBondContact O-N 2.8Å; E512-Q514 PolarHBondContact O-N 3.01Å; Q514-N518 PolarHBondContact O-ND2 3.11Å
515	V	97.2	Very high	96.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-50.7	174.4	168.2	0	0	0	0	110.1	N511 E512 I513 N517 N518 L519 I584 A612	N511-V515 WeakPolarHBondContact O-CG2 3.39Å; N511-V515 PolarHBondContact O-N 3.25Å; E512-V515 PolarHBondContact O-N 3.39Å; I513-V515 VanDerWaalsContact C-N 3.33Å; I513-V515 PolarHBondContact O-N 3.21Å; V515-N517 VanDerWaalsContact C-N 3.27Å; V515-N517 PolarHBondContact O-N 2.94Å; V515-N518 PolarHBondContact O-N 2.68Å; V515-L519 HydrophobicContact CG1-CD1 3.82Å; V515-L519 WeakPolarHBondContact O-CG 3.13Å; V515-I584 HydrophobicContact CG1-CD1 4.27Å; V515-I584 HydrophobicContact CG1-CG2 3.77Å; V515-A612 HydrophobicContact CG1-CB 3.88Å
516	M	98.3	Very high	96.5	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.034	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-34.8	-179.6	-68.7	-171.6	80.7	0	0	113.1	H451 E512 I513 N518 L519 I525 L527 L541 F609	H451-M516 PolarHBondContact CE1-O 2.98Å; E512-M516 WeakPolarHBondContact O-CG 3.44Å; E512-M516 PolarHBondContact O-N 2.98Å; I513-M516 PolarHBondContact O-N 3.43Å; M516-N518 PolarHBondContact O-N 2.97Å; M516-N518 VanDerWaalsContact O-N 3.09Å; M516-L519 PolarHBondContact O-N 3.46Å; M516-I525 HydrophobicContact CE-CG2 3.95Å; M516-I525 WeakPolarHBondContact CE-O 3.47Å; M516-L527 HydrophobicContact CB-CB 4.16Å; M516-L527 HydrophobicContact CB-CD2 4.13Å; M516-L527 HydrophobicContact CE-CB 3.8Å; M516-L527 HydrophobicContact SD-CB 4.11Å; M516-L527 HydrophobicContact SD-CD1 4.33Å; M516-L527 HydrophobicContact SD-CD2 4.33Å; M516-L527 HydrophobicContact SD-CG 4.49Å; M516-L541 HydrophobicContact CE-CD2 3.69Å; M516-L541 HydrophobicContact SD-CD2 4.22Å; M516-F609 HydrophobicContact CE-CD2 3.9Å; M516-F609 HydrophobicContact CE-CE2 4.1Å; M516-F609 HydrophobicContact CG-CB 4.34Å; M516-F609 HydrophobicContact CG-CD2 3.75Å; M516-F609 HydrophobicContact CG-CE2 4.49Å; M516-F609 HydrophobicContact CG-CG 4.35Å; M516-F609 HydrophobicContact SD-CD2 4.12Å
517	N	98.2	Very high	96.7	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.053	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.7	175.1	-71.3	-14.9	0	0	0	114.4	H451 R452 I453 V454 I513 V515	H451-N517 PolarHBondContact NE2-O 3.34Å; H451-N517 VanDerWaalsContact NE2-O 3.09Å; R452-N517 PolarHBondContact O-OD1 3.06Å; I453-N517 HydrophobicContact CD1-CB 4.2Å; I453-N517 WeakPolarHBondContact CD1-O 3.5Å; V454-N517 PolarHBondContact N-ND2 3.45Å; V454-N517 PolarHBondContact N-OD1 3.04Å; V454-N517 PolarHBondContact O-ND2 2.9Å; I513-N517 PolarHBondContact O-N 3.28Å; I513-N517 PolarHBondContact O-ND2 3.38Å; I513-N517 PolarHBondContact O-OD1 3.26Å; V515-N517 VanDerWaalsContact C-N 3.27Å; V515-N517 PolarHBondContact O-N 2.94Å
518	N	97.5	Very high	96.9	Very high	79 Å²	79	32.6 Å²	32.6	42%	0.422	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	0.1	176.5	-70	-85	0	0	0	112.4	Q514 V515 M516 M582 I584	Q514-N518 PolarHBondContact O-ND2 3.11Å; V515-N518 PolarHBondContact O-N 2.68Å; M516-N518 PolarHBondContact O-N 2.97Å; M516-N518 VanDerWaalsContact O-N 3.09Å; N518-M582 HydrophobicContact CB-CE 4.36Å; N518-I584 HydrophobicContact CB-CD1 3.89Å
519	L	97.8	Very high	97.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.142	C	C	.	.			trans	-115.6	73.4	-169.8	-65.2	-179.9	0	0	0	112	V515 M516 L524 Q526 M579 M582 I584 F609	V515-L519 HydrophobicContact CG1-CD1 3.82Å; V515-L519 WeakPolarHBondContact O-CG 3.13Å; M516-L519 PolarHBondContact O-N 3.46Å; L519-L524 HydrophobicContact CB-CD1 3.94Å; L519-L524 HydrophobicContact CD1-CD1 4.36Å; L519-L524 HydrophobicContact CD2-CD1 4.13Å; L519-L524 HydrophobicContact CG-CD1 4.37Å; L519-Q526 PolarHBondContact O-NE2 3.03Å; L519-M579 HydrophobicContact CD1-CE 4.13Å; L519-M579 HydrophobicContact CD1-CG 4.24Å; L519-M579 HydrophobicContact CD2-CB 4.34Å; L519-M579 HydrophobicContact CD2-CG 3.81Å; L519-M582 HydrophobicContact CD2-CB 4.5Å; L519-I584 HydrophobicContact CD1-CD1 4.47Å; L519-I584 HydrophobicContact CD2-CD1 3.66Å; L519-I584 HydrophobicContact CG-CD1 3.97Å; L519-F609 HydrophobicContact CD1-CD1 4.09Å; L519-F609 HydrophobicContact CD1-CE1 3.95Å; L519-F609 HydrophobicContact CD1-CZ 4.27Å
520	D	97.6	Very high	97.4	Very high	95 Å²	95	27 Å²	27	51%	0.508	14%	0.139	S	C	.	.			trans	-89.8	97.1	170.4	-171.4	7.3	0	0	0	111	H451 H578	H451-D520 HydrophobicContact CB-CB 3.92Å; H451-D520 WeakPolarHBondContact CB-OD2 3.35Å; H451-D520 IonicContact CG-OD2 3.49Å; D520-H578 PolarHBondContact O-CE1 2.69Å; D520-H578 VanDerWaalsContact O-CE1 3.26Å; D520-H578 PolarHBondContact O-NE2 3.4Å
521	H	98	Very high	97.5	Very high	50 Å²	50	24.3 Å²	24.3	23%	0.231	13%	0.127	C	C	.	.			trans	-157.5	143.7	179.1	-167.8	-97.3	0	0	0	111.7	N523 L524 Q526 H578	H521-N523 VanDerWaalsContact C-N 3.33Å; H521-N523 PolarHBondContact CE1-OD1 3.04Å; H521-N523 PolarHBondContact ND1-N 3.21Å; H521-N523 PolarHBondContact O-N 2.94Å; H521-L524 HydrophobicContact CB-CB 4.33Å; H521-L524 HydrophobicContact CB-CD1 3.87Å; H521-L524 HydrophobicContact CB-CG 3.95Å; H521-L524 PolarHBondContact O-N 3.13Å; H521-Q526 PolarHBondContact O-NE2 3.08Å; H521-H578 HydrophobicContact CB-CB 4.32Å; H521-H578 AromaticContact CD2-CG 3.86Å; H521-H578 AromaticContact CD2-ND1 3.98Å; H521-H578 AromaticContact CG-CG 3.99Å
522	A	97	Very high	97.6	Very high	24 Å²	24	22.5 Å²	22.5	20%	0.198	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-34.6	-173.6	0	0	0	0	0	113.4	P443 P444 L524 K605	P443-A522 HydrophobicContact CB-CB 4.39Å; P444-A522 HydrophobicContact CG-CB 3.79Å; P444-A522 WeakPolarHBondContact CG-O 3.4Å; A522-L524 VanDerWaalsContact C-N 3.25Å; A522-L524 PolarHBondContact O-N 3.25Å; A522-K605 WeakPolarHBondContact O-CE 3.4Å; A522-K605 WeakPolarHBondContact O-CG 3.37Å; A522-K605 PolarHBondContact O-NZ 3.42Å
523	N	98	Very high	97.5	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.011	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	3.8	175.5	-59.2	95	0	0	0	114.4	P444 H521 Q571 I604 K605 I606	P444-N523 VanDerWaalsContact CD-ND2 3.34Å; P444-N523 WeakPolarHBondContact CD-ND2 3.06Å; P444-N523 VanDerWaalsContact CG-ND2 3.34Å; P444-N523 WeakPolarHBondContact CG-ND2 3.43Å; H521-N523 VanDerWaalsContact C-N 3.33Å; H521-N523 PolarHBondContact CE1-OD1 3.04Å; H521-N523 PolarHBondContact ND1-N 3.21Å; H521-N523 PolarHBondContact O-N 2.94Å; N523-Q571 WeakPolarHBondContact ND2-CB 3.49Å; N523-Q571 PolarHBondContact ND2-OE1 3.3Å; N523-I604 PolarHBondContact ND2-O 3.44Å; N523-K605 CarbonylContact O-C 3.5Å; N523-K605 VanDerWaalsContact O-CA 3.31Å; N523-K605 WeakPolarHBondContact O-CA 3.3Å; N523-I606 PolarHBondContact O-N 2.9Å
524	L	98.3	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-118.6	133.9	179.3	-57.5	-178.3	0	0	0	109.3	L519 H521 A522 Q526 M579 I606 F609	L519-L524 HydrophobicContact CB-CD1 3.94Å; L519-L524 HydrophobicContact CD1-CD1 4.36Å; L519-L524 HydrophobicContact CD2-CD1 4.13Å; L519-L524 HydrophobicContact CG-CD1 4.37Å; H521-L524 HydrophobicContact CB-CB 4.33Å; H521-L524 HydrophobicContact CB-CD1 3.87Å; H521-L524 HydrophobicContact CB-CG 3.95Å; H521-L524 PolarHBondContact O-N 3.13Å; A522-L524 VanDerWaalsContact C-N 3.25Å; A522-L524 PolarHBondContact O-N 3.25Å; L524-Q526 PolarHBondContact O-N 2.82Å; L524-Q526 PolarHBondContact O-NE2 3.35Å; L524-M579 HydrophobicContact CD1-CG 3.86Å; L524-M579 HydrophobicContact CD2-CG 4.39Å; L524-M579 HydrophobicContact CD2-SD 4.17Å; L524-I606 HydrophobicContact CD2-CB 3.94Å; L524-I606 HydrophobicContact CD2-CD1 3.92Å; L524-I606 HydrophobicContact CD2-CG1 4.3Å; L524-F609 HydrophobicContact CB-CZ 3.97Å; L524-F609 HydrophobicContact CD2-CE1 4.21Å; L524-F609 HydrophobicContact CD2-CZ 3.95Å; L524-F609 HydrophobicContact CG-CZ 4.35Å
525	I	97.6	Very high	97	Very high	8 Å²	8	34 Å²	34	4%	0.041	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-61	135.2	177.9	-162.1	75.4	0	0	0	110.8	M516 L541 E542 V544 I606 I607 F609	M516-I525 HydrophobicContact CE-CG2 3.95Å; M516-I525 WeakPolarHBondContact CE-O 3.47Å; I525-L541 HydrophobicContact CG1-CB 4.5Å; I525-E542 HydrophobicContact CD1-CB 3.7Å; I525-E542 HydrophobicContact CD1-CG 4.03Å; I525-E542 HydrophobicContact CG1-CB 4.15Å; I525-V544 HydrophobicContact CD1-CG2 3.42Å; I525-V544 VanDerWaalsContact CD1-CG2 3.42Å; I525-I606 PolarHBondContact N-O 3.35Å; I525-I607 HydrophobicContact CB-CB 4.49Å; I525-I607 HydrophobicContact CB-CG2 4.24Å; I525-I607 HydrophobicContact CD1-CG2 4.28Å; I525-I607 HydrophobicContact CG2-CB 4.45Å; I525-I607 WeakPolarHBondContact CG2-O 3.2Å; I525-F609 HydrophobicContact CG2-CD2 4.28Å; I525-F609 HydrophobicContact CG2-CE2 3.69Å
526	Q	98.3	Very high	96.9	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.033	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-95.3	140.3	-176	-63.5	-59.9	-50.8	0	0	112.7	A447 F449 H451 L519 H521 L524 L541 E542	A447-Q526 HydrophobicContact CB-CB 3.81Å; A447-Q526 HydrophobicContact CB-CG 3.75Å; F449-Q526 HydrophobicContact CE2-CB 3.69Å; F449-Q526 HydrophobicContact CZ-CB 3.94Å; H451-Q526 PolarHBondContact ND1-OE1 3.05Å; L519-Q526 PolarHBondContact O-NE2 3.03Å; H521-Q526 PolarHBondContact O-NE2 3.08Å; L524-Q526 PolarHBondContact O-N 2.82Å; L524-Q526 PolarHBondContact O-NE2 3.35Å; Q526-L541 WeakPolarHBondContact O-CA 3.21Å; Q526-E542 HydrophobicContact CB-CB 4.43Å; Q526-E542 PolarHBondContact N-OE2 3.18Å; Q526-E542 PolarHBondContact O-N 3.26Å
527	L	98.6	Very high	96.8	Very high	3 Å²	3	35 Å²	35	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.8	176.7	-175.4	64.1	0	0	0	110.7	V454 I513 M516 L539 L541	V454-L527 HydrophobicContact CB-CD2 3.68Å; V454-L527 HydrophobicContact CB-CG 4.07Å; V454-L527 HydrophobicContact CG1-CD2 3.91Å; V454-L527 HydrophobicContact CG1-CG 4.2Å; V454-L527 HydrophobicContact CG2-CD2 4.1Å; V454-L527 HydrophobicContact CG2-CG 3.95Å; I513-L527 HydrophobicContact CB-CD2 4.28Å; I513-L527 HydrophobicContact CG1-CD2 4.23Å; I513-L527 HydrophobicContact CG2-CD2 3.88Å; M516-L527 HydrophobicContact CB-CB 4.16Å; M516-L527 HydrophobicContact CB-CD2 4.13Å; M516-L527 HydrophobicContact CE-CB 3.8Å; M516-L527 HydrophobicContact SD-CB 4.11Å; M516-L527 HydrophobicContact SD-CD1 4.33Å; M516-L527 HydrophobicContact SD-CD2 4.33Å; M516-L527 HydrophobicContact SD-CG 4.49Å; L527-L539 HydrophobicContact CD1-CB 4.02Å; L527-L539 HydrophobicContact CD1-CD2 4.5Å; L527-L541 HydrophobicContact CD1-CD2 3.74Å
528	Y	98.4	Very high	96.8	Very high	14 Å²	14	35.1 Å²	35.1	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-44.5	-177.5	-171.3	-99.7	0	0	0	112.9	F449 R452 Y465 E486 L491 L493 V540	F449-Y528 HydrophobicContact CB-CD2 4.13Å; F449-Y528 HydrophobicContact CB-CE2 3.96Å; F449-Y528 AromaticContact CD1-CD2 3.57Å; F449-Y528 HydrophobicContact CD1-CD2 3.57Å; F449-Y528 AromaticContact CD1-CE2 3.99Å; F449-Y528 HydrophobicContact CD1-CE2 3.99Å; F449-Y528 AromaticContact CD2-CD2 3.66Å; F449-Y528 HydrophobicContact CD2-CD2 3.66Å; F449-Y528 HydrophobicContact CD2-CE2 4.34Å; F449-Y528 AromaticContact CE1-CD2 3.76Å; F449-Y528 HydrophobicContact CE1-CD2 3.76Å; F449-Y528 HydrophobicContact CE1-CG 4.44Å; F449-Y528 AromaticContact CE2-CD2 3.84Å; F449-Y528 HydrophobicContact CE2-CD2 3.84Å; F449-Y528 HydrophobicContact CE2-CG 4.5Å; F449-Y528 AromaticContact CG-CD2 3.51Å; F449-Y528 HydrophobicContact CG-CD2 3.51Å; F449-Y528 AromaticContact CG-CE2 3.85Å; F449-Y528 HydrophobicContact CG-CE2 3.85Å; F449-Y528 AromaticContact CZ-CD2 3.89Å; F449-Y528 HydrophobicContact CZ-CD2 3.89Å; F449-Y528 HydrophobicContact CZ-CG 4.38Å; R452-Y528 VanDerWaalsContact CD-O 3.26Å; R452-Y528 WeakPolarHBondContact CD-O 3.41Å; R452-Y528 VanDerWaalsContact CZ-CZ 3.45Å; R452-Y528 VanDerWaalsContact NH1-CE2 3.28Å; R452-Y528 PolarHBondContact NH1-O 3.1Å; R452-Y528 PolarHBondContact NH1-OH 3.03Å; R452-Y528 VanDerWaalsContact NH2-CZ 3.32Å; R452-Y528 PolarHBondContact NH2-OH 2.99Å; R452-Y528 VanDerWaalsContact NH2-OH 3.11Å; Y465-Y528 HydrophobicContact CE1-CD1 4.06Å; Y465-Y528 AromaticContact CE1-CE1 3.96Å; Y465-Y528 HydrophobicContact CE1-CE1 3.96Å; Y465-Y528 AromaticContact CZ-CE1 3.99Å; Y465-Y528 VanDerWaalsContact OH-CD1 3.28Å; Y465-Y528 WeakPolarHBondContact OH-CD1 3.4Å; Y465-Y528 WeakPolarHBondContact OH-CE1 3.5Å; E486-Y528 VanDerWaalsContact CD-OH 3.24Å; E486-Y528 VanDerWaalsContact OE1-CE1 3.3Å; E486-Y528 WeakPolarHBondContact OE1-CE1 3.44Å; E486-Y528 PolarHBondContact OE1-OH 3.2Å; E486-Y528 PolarHBondContact OE2-OH 2.97Å; E486-Y528 VanDerWaalsContact OE2-OH 3.13Å; L491-Y528 HydrophobicContact CD2-CE2 3.9Å; L493-Y528 HydrophobicContact CD1-CD1 3.59Å; L493-Y528 HydrophobicContact CD1-CD2 4.43Å; L493-Y528 HydrophobicContact CD1-CE1 3.81Å; L493-Y528 HydrophobicContact CD1-CG 3.93Å; L493-Y528 HydrophobicContact CD2-CD2 4.28Å; L493-Y528 HydrophobicContact CD2-CG 4.18Å; Y528-V540 WeakPolarHBondContact CA-O 3.46Å; Y528-V540 WeakPolarHBondContact CB-O 3.36Å; Y528-V540 HydrophobicContact CD1-CG1 4.05Å; Y528-V540 HydrophobicContact CG-CG1 4.48Å; Y528-V540 PolarHBondContact N-O 2.87Å
529	A	97.9	Very high	96.8	Very high	7 Å²	7	31.3 Å²	31.3	6%	0.058	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	165.2	180	0	0	0	0	0	111.1	Y465 Y531 V540	Y465-A529 WeakPolarHBondContact OH-CB 3.47Å; A529-Y531 HydrophobicContact CB-CE2 3.89Å; A529-V540 HydrophobicContact CB-CB 4.11Å; A529-V540 HydrophobicContact CB-CG2 4.27Å; A529-V540 PolarHBondContact N-O 3.12Å; A529-V540 PolarHBondContact O-N 2.8Å
530	A	98.1	Very high	96.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.7	173.4	0	0	0	0	0	111	V454 A456 K457 I513 I538 L539	V454-A530 HydrophobicContact CG1-CB 3.66Å; A456-A530 HydrophobicContact CB-CB 4.22Å; K457-A530 PolarHBondContact N-O 2.99Å; I513-A530 HydrophobicContact CD1-CB 3.59Å; I513-A530 HydrophobicContact CG1-CB 4.29Å; A530-I538 CarbonylContact C-O 3.59Å; A530-I538 WeakPolarHBondContact CA-O 2.97Å; A530-L539 HydrophobicContact CB-CD2 3.93Å
531	Y	97.2	Very high	96.8	Very high	9 Å²	9	27.4 Å²	27.4	4%	0.035	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126	-179.6	-68.4	-90.4	0	0	0	110.3	K457 N459 I461 F464 Y465 A529 I537 I538 V540	K457-Y531 HydrophobicContact CB-CD1 4.2Å; K457-Y531 HydrophobicContact CB-CE1 4.28Å; K457-Y531 HydrophobicContact CD-CE1 4.46Å; K457-Y531 CarbonylContact O-C 3.54Å; K457-Y531 WeakPolarHBondContact O-CA 3.21Å; N459-Y531 HydrophobicContact CB-CD1 4.32Å; N459-Y531 HydrophobicContact CB-CE1 4.23Å; N459-Y531 WeakPolarHBondContact O-CD1 3.28Å; I461-Y531 HydrophobicContact CB-CD1 4.31Å; I461-Y531 HydrophobicContact CB-CD2 4.09Å; I461-Y531 HydrophobicContact CB-CG 3.92Å; I461-Y531 HydrophobicContact CD1-CD2 3.7Å; I461-Y531 HydrophobicContact CD1-CE2 4.29Å; I461-Y531 HydrophobicContact CD1-CG 4.29Å; I461-Y531 HydrophobicContact CG1-CD2 3.69Å; I461-Y531 HydrophobicContact CG1-CE2 4.01Å; I461-Y531 HydrophobicContact CG1-CG 4.07Å; F464-Y531 AromaticContact CD2-CE1 3.88Å; F464-Y531 HydrophobicContact CD2-CE1 3.88Å; F464-Y531 HydrophobicContact CE2-CE1 4.24Å; Y465-Y531 HydrophobicContact CD2-CE2 4.07Å; Y465-Y531 AromaticContact CE2-CE2 3.48Å; Y465-Y531 HydrophobicContact CE2-CE2 3.48Å; Y465-Y531 VanDerWaalsContact CE2-CE2 3.48Å; Y465-Y531 AromaticContact CE2-CZ 3.76Å; Y465-Y531 WeakPolarHBondContact CE2-OH 3.15Å; A529-Y531 HydrophobicContact CB-CE2 3.89Å; Y531-I537 CarbonylContact O-C 3.58Å; Y531-I537 WeakPolarHBondContact O-CA 3.38Å; Y531-I538 PolarHBondContact N-O 3.15Å; Y531-I538 PolarHBondContact O-N 3.11Å; Y531-V540 HydrophobicContact CD2-CG2 4.3Å; Y531-V540 HydrophobicContact CE2-CG2 4.32Å
532	E	95.6	Very high	96.8	Very high	37 Å²	37	25.6 Å²	25.6	17%	0.173	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.6	175.7	-179.3	179.2	164.9	0	0	110.1	A456 K457 K506 K510 I537	A456-E532 HydrophobicContact CB-CB 4.09Å; K457-E532 PolarHBondContact O-N 2.89Å; K506-E532 WeakPolarHBondContact CD-OE1 3.21Å; K506-E532 WeakPolarHBondContact CE-OE1 3.01Å; K506-E532 IonicContact NZ-OE1 3.96Å; K506-E532 PolarHBondContact NZ-OE1 3.03Å; K510-E532 WeakPolarHBondContact CE-OE2 3.21Å; K510-E532 IonicContact NZ-OE1 2.88Å; K510-E532 IonicContact NZ-OE2 2.8Å; K510-E532 PolarHBondContact NZ-OE2 2.87Å; E532-I537 HydrophobicContact CB-CG1 4.14Å; E532-I537 HydrophobicContact CG-CD1 4.46Å; E532-I537 HydrophobicContact CG-CG1 3.96Å
533	S	93.3	Very high	96.8	Very high	47 Å²	47	28 Å²	28	33%	0.329	13%	0.129	S	C	.	.			trans	-121.4	-176.8	171.8	-83.1	0	0	0	0	110.2	K506 N535 D536	K506-S533 WeakPolarHBondContact CE-O 3.45Å; K506-S533 PolarHBondContact NZ-O 3.16Å; S533-N535 VanDerWaalsContact C-N 3.32Å; S533-N535 PolarHBondContact O-N 3.27Å; S533-D536 WeakPolarHBondContact CB-OD1 3.46Å; S533-D536 PolarHBondContact N-O 3.19Å
534	R	92	Very high	96.6	Very high	218 Å²	218	28.9 Å²	28.9	82%	0.823	14%	0.135	S	C	*	.	S	Bend	trans	-62.7	-38.8	-177.9	-70.4	-174.8	-177.1	176.9	1.3	112.8
535	N	93.2	Very high	96.3	Very high	94 Å²	94	31.3 Å²	31.3	50%	0.503	16%	0.16	S	C	.	.	S	Bend	trans	-119.9	-1.9	-169.1	-62.3	-26.3	0	0	0	113.9	A500 R501 S533	A500-N535 CarbonylContact C-O 3.5Å; A500-N535 PolarHBondContact N-O 2.99Å; A500-N535 CarbonylContact O-C 3.58Å; R501-N535 HydrophobicContact CG-CB 4.43Å; S533-N535 VanDerWaalsContact C-N 3.32Å; S533-N535 PolarHBondContact O-N 3.27Å
536	D	94.3	Very high	95.9	Very high	30 Å²	30	31 Å²	31	16%	0.16	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	158.2	-176.6	38.1	26.8	0	0	0	112.3	I498 K499 S533	I498-D536 CarbonylContact O-C 3.39Å; I498-D536 WeakPolarHBondContact O-CA 3.49Å; I498-D536 WeakPolarHBondContact O-CB 3.46Å; K499-D536 HydrophobicContact CD-CB 4.06Å; K499-D536 IonicContact NZ-OD2 2.93Å; K499-D536 PolarHBondContact NZ-OD2 3.41Å; S533-D536 WeakPolarHBondContact CB-OD1 3.46Å; S533-D536 PolarHBondContact N-O 3.19Å
537	I	96.2	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.4	164	-67.3	170	0	0	0	106.9	I498 K506 V509 Y531 E532 L539	I498-I537 WeakPolarHBondContact CB-O 3.35Å; I498-I537 PolarHBondContact N-O 3.46Å; I498-I537 PolarHBondContact O-N 3.11Å; K506-I537 HydrophobicContact CB-CD1 3.86Å; K506-I537 HydrophobicContact CG-CD1 3.95Å; K506-I537 HydrophobicContact CG-CG1 4.49Å; V509-I537 HydrophobicContact CB-CB 4.49Å; V509-I537 HydrophobicContact CB-CD1 3.85Å; V509-I537 HydrophobicContact CG1-CB 3.91Å; V509-I537 HydrophobicContact CG1-CD1 4.04Å; V509-I537 HydrophobicContact CG1-CG2 3.59Å; Y531-I537 CarbonylContact O-C 3.58Å; Y531-I537 WeakPolarHBondContact O-CA 3.38Å; E532-I537 HydrophobicContact CB-CG1 4.14Å; E532-I537 HydrophobicContact CG-CD1 4.46Å; E532-I537 HydrophobicContact CG-CG1 3.96Å; I537-L539 HydrophobicContact CG2-CD2 3.94Å
538	I	97.1	Very high	95.2	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.056	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.6	178.3	-55.4	173.2	0	0	0	108.2	I461 I467 A495 K496 V497 A530 Y531	I461-I538 HydrophobicContact CD1-CB 4.08Å; I461-I538 HydrophobicContact CD1-CD1 4.35Å; I461-I538 HydrophobicContact CD1-CG2 3.58Å; I461-I538 HydrophobicContact CG2-CD1 3.84Å; I467-I538 HydrophobicContact CD1-CD1 4.48Å; A495-I538 HydrophobicContact CB-CG2 4.1Å; K496-I538 WeakPolarHBondContact O-CA 3.49Å; V497-I538 HydrophobicContact CG1-CG1 4.26Å; V497-I538 HydrophobicContact CG2-CD1 4.42Å; V497-I538 HydrophobicContact CG2-CG1 4.19Å; V497-I538 HydrophobicContact CG2-CG2 4.3Å; A530-I538 CarbonylContact C-O 3.59Å; A530-I538 WeakPolarHBondContact CA-O 2.97Å; Y531-I538 PolarHBondContact N-O 3.15Å; Y531-I538 PolarHBondContact O-N 3.11Å
539	L	97.7	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.7	172	-50.2	-176.3	0	0	0	108.4	A495 K496 I498 V509 E512 I513 L527 A530 I537 L541	A495-L539 CarbonylContact C-O 3.45Å; A495-L539 WeakPolarHBondContact CA-O 3.4Å; K496-L539 HydrophobicContact CB-CB 4.31Å; K496-L539 HydrophobicContact CD-CD1 4.49Å; K496-L539 PolarHBondContact N-O 3.35Å; K496-L539 PolarHBondContact O-N 2.83Å; I498-L539 HydrophobicContact CD1-CD1 3.87Å; I498-L539 HydrophobicContact CD1-CG 4.13Å; V509-L539 HydrophobicContact CG1-CD2 4.15Å; E512-L539 HydrophobicContact CG-CD1 4.48Å; I513-L539 HydrophobicContact CD1-CD2 3.71Å; I513-L539 HydrophobicContact CG1-CD2 3.59Å; L527-L539 HydrophobicContact CD1-CB 4.02Å; L527-L539 HydrophobicContact CD1-CD2 4.5Å; A530-L539 HydrophobicContact CB-CD2 3.93Å; I537-L539 HydrophobicContact CG2-CD2 3.94Å; L539-L541 HydrophobicContact CB-CD2 4.38Å; L539-L541 HydrophobicContact CB-CG 4.32Å
540	V	98.2	Very high	94	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.5	171.7	-173.5	0	0	0	0	107.4	I461 Y465 L493 A494 Y528 A529 Y531	I461-V540 HydrophobicContact CD1-CG2 3.76Å; Y465-V540 HydrophobicContact CD1-CG1 4.2Å; Y465-V540 HydrophobicContact CE1-CG1 3.79Å; Y465-V540 HydrophobicContact CE1-CG2 4.41Å; Y465-V540 HydrophobicContact CE2-CG2 4.35Å; L493-V540 HydrophobicContact CB-CG1 3.88Å; L493-V540 HydrophobicContact CD1-CG1 3.63Å; L493-V540 HydrophobicContact CG-CG1 4.27Å; A494-V540 CarbonylContact O-C 3.57Å; A494-V540 WeakPolarHBondContact O-CA 3.47Å; Y528-V540 WeakPolarHBondContact CA-O 3.46Å; Y528-V540 WeakPolarHBondContact CB-O 3.36Å; Y528-V540 HydrophobicContact CD1-CG1 4.05Å; Y528-V540 HydrophobicContact CG-CG1 4.48Å; Y528-V540 PolarHBondContact N-O 2.87Å; A529-V540 HydrophobicContact CB-CB 4.11Å; A529-V540 HydrophobicContact CB-CG2 4.27Å; A529-V540 PolarHBondContact N-O 3.12Å; A529-V540 PolarHBondContact O-N 2.8Å; Y531-V540 HydrophobicContact CD2-CG2 4.3Å; Y531-V540 HydrophobicContact CE2-CG2 4.32Å
541	L	98.1	Very high	93.4	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	161	-168.4	-60.3	166.7	0	0	0	110.3	L493 A494 K496 M516 I525 Q526 L527 L539	L493-L541 WeakPolarHBondContact CB-O 3.42Å; L493-L541 WeakPolarHBondContact CD2-O 3.03Å; A494-L541 HydrophobicContact CB-CB 4.36Å; A494-L541 PolarHBondContact N-O 3.41Å; A494-L541 PolarHBondContact O-N 3.33Å; K496-L541 HydrophobicContact CB-CD1 3.87Å; K496-L541 HydrophobicContact CD-CD1 4.32Å; M516-L541 HydrophobicContact CE-CD2 3.69Å; M516-L541 HydrophobicContact SD-CD2 4.22Å; I525-L541 HydrophobicContact CG1-CB 4.5Å; Q526-L541 WeakPolarHBondContact O-CA 3.21Å; L527-L541 HydrophobicContact CD1-CD2 3.74Å; L539-L541 HydrophobicContact CB-CD2 4.38Å; L539-L541 HydrophobicContact CB-CG 4.32Å
542	E	97.6	Very high	92.7	Very high	13 Å²	13	39 Å²	39	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.1	138	162.4	176.4	-176.2	-169.9	0	0	110.5	A447 F449 I525 Q526 V544 K605	A447-E542 WeakPolarHBondContact CA-OE1 3.37Å; A447-E542 HydrophobicContact CB-CB 4.34Å; A447-E542 HydrophobicContact CB-CG 4.07Å; F449-E542 HydrophobicContact CE1-CB 4.1Å; F449-E542 HydrophobicContact CZ-CB 3.89Å; I525-E542 HydrophobicContact CD1-CB 3.7Å; I525-E542 HydrophobicContact CD1-CG 4.03Å; I525-E542 HydrophobicContact CG1-CB 4.15Å; Q526-E542 HydrophobicContact CB-CB 4.43Å; Q526-E542 PolarHBondContact N-OE2 3.18Å; Q526-E542 PolarHBondContact O-N 3.26Å; E542-V544 HydrophobicContact CG-CG2 4.2Å; E542-K605 VanDerWaalsContact CD-NZ 3.31Å; E542-K605 WeakPolarHBondContact OE1-CE 3.26Å; E542-K605 IonicContact OE1-NZ 3.78Å; E542-K605 PolarHBondContact OE1-NZ 2.83Å; E542-K605 IonicContact OE2-NZ 3.83Å; E542-K605 PolarHBondContact OE2-NZ 3.19Å
543	Y	97	Very high	91.9	Very high	74 Å²	74	38.7 Å²	38.7	29%	0.29	20%	0.202	S	C	.	.			trans	-90	127.6	173.1	175.3	-105.6	0	0	0	110.3	L473 K483 T492	L473-Y543 HydrophobicContact CD1-CD2 3.69Å; L473-Y543 HydrophobicContact CD1-CE2 3.59Å; L473-Y543 HydrophobicContact CD2-CE2 3.84Å; L473-Y543 HydrophobicContact CG-CE2 4.38Å; K483-Y543 HydrophobicContact CD-CE2 4.21Å; K483-Y543 HydrophobicContact CG-CD2 4.34Å; K483-Y543 HydrophobicContact CG-CE2 4.17Å; T492-Y543 HydrophobicContact CG2-CD1 3.9Å; T492-Y543 HydrophobicContact CG2-CE1 4.4Å; T492-Y543 HydrophobicContact CG2-CG 3.96Å
544	V	94.9	Very high	91.1	Very high	20 Å²	20	41.6 Å²	41.6	12%	0.121	21%	0.213	C	C	.	.			trans	-124.8	114.9	178.1	-179	0	0	0	0	108.8	I525 E542 L595 C596 K605	I525-V544 HydrophobicContact CD1-CG2 3.42Å; I525-V544 VanDerWaalsContact CD1-CG2 3.42Å; E542-V544 HydrophobicContact CG-CG2 4.2Å; V544-L595 HydrophobicContact CB-CD1 4.15Å; V544-L595 HydrophobicContact CG1-CB 4.02Å; V544-L595 HydrophobicContact CG1-CD1 4.28Å; V544-C596 VanDerWaalsContact CG1-O 3.23Å; V544-C596 WeakPolarHBondContact CG1-O 3.33Å; V544-K605 HydrophobicContact CG2-CD 3.78Å
545	G	90.7	Very high	90.3	Very high	51 Å²	51	33.9 Å²	33.9	53%	0.526	19%	0.188	S	C	.	.			trans	-98.5	0.8	-168.7	0	0	0	0	0	115.9	G547	G545-G547 VanDerWaalsContact C-N 3.33Å; G545-G547 PolarHBondContact O-N 3.33Å
546	G	88.8	Confident	89.1	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.204	C	C	.	.	S	Bend	trans	-81.1	-6.7	-174.6	0	0	0	0	0	115.4	C596 V597 R599	G546-C596 CarbonylContact C-O 3.59Å; G546-C596 WeakPolarHBondContact CA-O 3.43Å; G546-C596 PolarHBondContact N-O 2.98Å; G546-V597 PolarHBondContact N-O 3.28Å; G546-R599 VanDerWaalsContact O-CG 3.24Å; G546-R599 WeakPolarHBondContact O-CG 3.49Å
547	G	90.9	Very high	88	Confident	24 Å²	24	43.5 Å²	43.5	25%	0.247	23%	0.234	C	C	.	.			trans	77.1	-179.1	-179.5	0	0	0	0	0	113.6	G545 L595 C596	G545-G547 VanDerWaalsContact C-N 3.33Å; G545-G547 PolarHBondContact O-N 3.33Å; G547-L595 CarbonylContact O-C 3.53Å; G547-L595 WeakPolarHBondContact O-CA 3.4Å; G547-C596 PolarHBondContact O-N 3.31Å
548	E	91.2	Very high	87	Confident	68 Å²	68	45.7 Å²	45.7	32%	0.318	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-68.1	145.3	-179	-61.5	-176.6	-158.6	0	0	111.4	F550 D551 R552 L595	E548-F550 VanDerWaalsContact C-N 3.32Å; E548-F550 PolarHBondContact O-N 3.2Å; E548-D551 HydrophobicContact CB-CB 4.17Å; E548-R552 PolarHBondContact O-N 3.47Å; E548-L595 HydrophobicContact CB-CD2 4.28Å; E548-L595 HydrophobicContact CG-CD2 3.71Å
549	L	87.3	Confident	86.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-43.8	179.5	174.6	61.3	0	0	0	111.7	R552 I553 F568 I594 I604 L657	L549-R552 WeakPolarHBondContact O-CB 3.34Å; L549-R552 PolarHBondContact O-N 3.01Å; L549-I553 HydrophobicContact CD1-CD1 3.76Å; L549-I553 HydrophobicContact CD1-CG1 4.28Å; L549-I553 HydrophobicContact CD2-CD1 4.42Å; L549-I553 HydrophobicContact CG-CD1 3.71Å; L549-I553 WeakPolarHBondContact O-CG1 3.21Å; L549-I553 PolarHBondContact O-N 3.28Å; L549-I553 VanDerWaalsContact O-N 3.1Å; L549-F568 HydrophobicContact CD1-CD1 3.76Å; L549-F568 HydrophobicContact CD1-CD2 4.07Å; L549-F568 HydrophobicContact CD1-CE1 3.56Å; L549-F568 HydrophobicContact CD1-CE2 3.89Å; L549-F568 HydrophobicContact CD1-CG 4.02Å; L549-F568 HydrophobicContact CD1-CZ 3.64Å; L549-F568 HydrophobicContact CD2-CB 4.43Å; L549-F568 HydrophobicContact CD2-CD1 4.48Å; L549-F568 HydrophobicContact CD2-CG 4.35Å; L549-I594 HydrophobicContact CB-CB 4.39Å; L549-I594 HydrophobicContact CB-CG2 4.01Å; L549-I594 HydrophobicContact CD2-CG2 3.88Å; L549-I594 PolarHBondContact N-O 2.83Å; L549-I604 HydrophobicContact CD1-CG2 4.28Å; L549-L657 HydrophobicContact CD2-CD2 4.31Å
550	F	85.2	Confident	85.4	Confident	30 Å²	30	52.5 Å²	52.5	13%	0.132	28%	0.283	C	S	.	.	H	α-helix	trans	-73.6	-36	-175.6	-80.7	-101.7	0	0	0	112.3	E548 R552 I553 I554 P591 I653 M656 L657	E548-F550 VanDerWaalsContact C-N 3.32Å; E548-F550 PolarHBondContact O-N 3.2Å; F550-R552 PolarHBondContact O-N 3.47Å; F550-I553 PolarHBondContact O-N 3.1Å; F550-I554 WeakPolarHBondContact O-CG1 3.31Å; F550-I554 PolarHBondContact O-N 2.65Å; F550-P591 HydrophobicContact CB-CB 4.36Å; F550-P591 HydrophobicContact CD1-CB 4.37Å; F550-P591 HydrophobicContact CD1-CG 4.45Å; F550-P591 HydrophobicContact CD2-CB 3.32Å; F550-P591 HydrophobicContact CD2-CG 3.85Å; F550-P591 HydrophobicContact CE1-CG 4.21Å; F550-P591 HydrophobicContact CE2-CB 3.56Å; F550-P591 HydrophobicContact CE2-CG 3.55Å; F550-P591 HydrophobicContact CG-CB 3.75Å; F550-P591 HydrophobicContact CG-CG 4.27Å; F550-P591 HydrophobicContact CZ-CB 4.19Å; F550-P591 HydrophobicContact CZ-CG 3.75Å; F550-I653 HydrophobicContact CE2-CG2 4.46Å; F550-I653 HydrophobicContact CZ-CG2 4.41Å; F550-M656 HydrophobicContact CE1-CB 3.94Å; F550-M656 HydrophobicContact CE1-CE 3.94Å; F550-M656 HydrophobicContact CZ-CB 4.11Å; F550-M656 HydrophobicContact CZ-CE 4.46Å; F550-L657 HydrophobicContact CE1-CD2 4.25Å; F550-L657 HydrophobicContact CE2-CD2 4.16Å; F550-L657 HydrophobicContact CZ-CD2 3.8Å; F550-L657 HydrophobicContact CZ-CG 4.2Å
551	D	85.6	Confident	85	Confident	76 Å²	76	55.5 Å²	55.5	41%	0.406	30%	0.298	S	S	.	.	H	α-helix	trans	-56.3	-33.7	169.8	-75.5	-7.4	0	0	0	112.7	E548 I554	E548-D551 HydrophobicContact CB-CB 4.17Å; D551-I554 WeakPolarHBondContact O-CG1 3.33Å
552	R	82.1	Confident	84.7	Confident	12 Å²	12	56.3 Å²	56.3	5%	0.045	30%	0.301	C	S	.	.	H	α-helix	trans	-75.1	-39.2	175.7	176.6	179.5	176.1	172.6	-5.3	112	E548 L549 F550 I554 D555 Y558 S598 R599 T601 N602	E548-R552 PolarHBondContact O-N 3.47Å; L549-R552 WeakPolarHBondContact O-CB 3.34Å; L549-R552 PolarHBondContact O-N 3.01Å; F550-R552 PolarHBondContact O-N 3.47Å; R552-I554 VanDerWaalsContact C-N 3.32Å; R552-D555 VanDerWaalsContact O-CB 3.27Å; R552-D555 WeakPolarHBondContact O-CB 3.15Å; R552-D555 PolarHBondContact O-N 3.18Å; R552-Y558 HydrophobicContact CG-CD2 4.48Å; R552-Y558 HydrophobicContact CG-CG 4.45Å; R552-Y558 WeakPolarHBondContact O-CB 3.28Å; R552-S598 PolarHBondContact NH1-O 2.95Å; R552-R599 VanDerWaalsContact CZ-C 3.43Å; R552-R599 PolarHBondContact NE-O 3.21Å; R552-R599 VanDerWaalsContact NH1-C 3.3Å; R552-R599 PolarHBondContact NH1-O 3.28Å; R552-R599 PolarHBondContact NH2-O 2.92Å; R552-T601 PolarHBondContact NH1-O 3.03Å; R552-N602 PolarHBondContact NH2-OD1 2.88Å
553	I	79	Confident	84.5	Confident	29 Å²	29	56.4 Å²	56.4	15%	0.149	30%	0.302	C	S	.	.	H	α-helix	trans	-70.7	-32.2	-175.5	-70.5	165.2	0	0	0	111.7	L549 F550 D555 Y558 L560 L657	L549-I553 HydrophobicContact CD1-CD1 3.76Å; L549-I553 HydrophobicContact CD1-CG1 4.28Å; L549-I553 HydrophobicContact CD2-CD1 4.42Å; L549-I553 HydrophobicContact CG-CD1 3.71Å; L549-I553 WeakPolarHBondContact O-CG1 3.21Å; L549-I553 PolarHBondContact O-N 3.28Å; L549-I553 VanDerWaalsContact O-N 3.1Å; F550-I553 PolarHBondContact O-N 3.1Å; I553-D555 VanDerWaalsContact C-N 3.29Å; I553-Y558 HydrophobicContact CG1-CD1 4.5Å; I553-Y558 HydrophobicContact CG1-CE1 4.15Å; I553-L560 HydrophobicContact CD1-CD1 4.45Å; I553-L560 HydrophobicContact CD1-CD2 4.03Å; I553-L560 HydrophobicContact CG1-CD1 4.27Å; I553-L560 HydrophobicContact CG1-CD2 4.19Å; I553-L560 HydrophobicContact CG2-CB 4.11Å; I553-L560 HydrophobicContact CG2-CD2 3.65Å; I553-L560 HydrophobicContact CG2-CG 4.41Å; I553-L657 HydrophobicContact CD1-CD2 3.19Å
554	I	76.2	Confident	84.2	Confident	108 Å²	108	53.7 Å²	53.7	55%	0.554	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.8	176.3	68.1	-179	0	0	0	113.4	F550 D551 R552 E556	F550-I554 WeakPolarHBondContact O-CG1 3.31Å; F550-I554 PolarHBondContact O-N 2.65Å; D551-I554 WeakPolarHBondContact O-CG1 3.33Å; R552-I554 VanDerWaalsContact C-N 3.32Å; I554-E556 PolarHBondContact O-N 3.35Å
555	D	75.6	Confident	84.1	Confident	57 Å²	57	52.8 Å²	52.8	31%	0.305	29%	0.287	S	S	.	.			trans	-64.2	125.6	176.7	-168.7	-38.2	0	0	0	109.1	R552 I553 N557 Y558 R599	R552-D555 VanDerWaalsContact O-CB 3.27Å; R552-D555 WeakPolarHBondContact O-CB 3.15Å; R552-D555 PolarHBondContact O-N 3.18Å; I553-D555 VanDerWaalsContact C-N 3.29Å; D555-N557 PolarHBondContact O-N 3.49Å; D555-N557 WeakPolarHBondContact OD1-CB 3.44Å; D555-N557 PolarHBondContact OD1-N 3.44Å; D555-N557 PolarHBondContact OD1-ND2 3.4Å; D555-Y558 PolarHBondContact O-N 3.39Å; D555-R599 IonicContact OD2-NH1 3.85Å
556	E	66.4	Low	84.4	Confident	177 Å²	177	50.3 Å²	50.3	83%	0.827	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.7	-179	-64.5	179.9	175.4	0	0	113	I554 Y558	I554-E556 PolarHBondContact O-N 3.35Å; E556-Y558 VanDerWaalsContact C-N 3.31Å
557	N	71.6	Confident	84.6	Confident	149 Å²	149	51.2 Å²	51.2	80%	0.797	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-2	178.7	-55.2	-66.3	0	0	0	113.5	D555	D555-N557 PolarHBondContact O-N 3.49Å; D555-N557 WeakPolarHBondContact OD1-CB 3.44Å; D555-N557 PolarHBondContact OD1-N 3.44Å; D555-N557 PolarHBondContact OD1-ND2 3.4Å
558	Y	75.5	Confident	84.8	Confident	45 Å²	45	50 Å²	50	18%	0.176	26%	0.255	C	S	.	.			trans	-116.8	112.1	-177.3	-171.6	-95.3	0	0	0	111	R552 I553 D555 E556 L560	R552-Y558 HydrophobicContact CG-CD2 4.48Å; R552-Y558 HydrophobicContact CG-CG 4.45Å; R552-Y558 WeakPolarHBondContact O-CB 3.28Å; I553-Y558 HydrophobicContact CG1-CD1 4.5Å; I553-Y558 HydrophobicContact CG1-CE1 4.15Å; D555-Y558 PolarHBondContact O-N 3.39Å; E556-Y558 VanDerWaalsContact C-N 3.31Å; Y558-L560 HydrophobicContact CD1-CB 4.28Å; Y558-L560 HydrophobicContact CE1-CB 3.82Å; Y558-L560 HydrophobicContact CE1-CD1 3.72Å; Y558-L560 HydrophobicContact CE1-CG 4.38Å
559	T	77.9	Confident	85.1	Confident	113 Å²	113	46.8 Å²	46.8	69%	0.693	24%	0.24	S	C	*	.			trans	-95	105	172.2	-50.4	0	0	0	0	109.2	M561	T559-M561 PolarHBondContact O-N 3.23Å
560	L	83.6	Confident	85.6	Confident	42 Å²	42	49.3 Å²	49.3	22%	0.22	25%	0.25	C	C	.	.			trans	-72.8	119.9	176	-175.5	70.8	0	0	0	110.4	I553 Y558 D564 F568 L657	I553-L560 HydrophobicContact CD1-CD1 4.45Å; I553-L560 HydrophobicContact CD1-CD2 4.03Å; I553-L560 HydrophobicContact CG1-CD1 4.27Å; I553-L560 HydrophobicContact CG1-CD2 4.19Å; I553-L560 HydrophobicContact CG2-CB 4.11Å; I553-L560 HydrophobicContact CG2-CD2 3.65Å; I553-L560 HydrophobicContact CG2-CG 4.41Å; Y558-L560 HydrophobicContact CD1-CB 4.28Å; Y558-L560 HydrophobicContact CE1-CB 3.82Å; Y558-L560 HydrophobicContact CE1-CD1 3.72Å; Y558-L560 HydrophobicContact CE1-CG 4.38Å; L560-D564 HydrophobicContact CD1-CB 3.51Å; L560-F568 HydrophobicContact CD1-CD2 4.12Å; L560-F568 HydrophobicContact CD1-CE2 3.76Å; L560-L657 HydrophobicContact CD2-CB 4.42Å; L560-L657 HydrophobicContact CD2-CD2 4.32Å; L560-L657 WeakPolarHBondContact CD2-O 3.37Å
561	M	89.2	Confident	86.2	Confident	63 Å²	63	48.1 Å²	48.1	31%	0.31	25%	0.245	S	C	.	.			trans	-95.2	158.6	172.4	-56.6	173.1	-76.5	0	0	110.9	T559 L563 D564 A565 S735	T559-M561 PolarHBondContact O-N 3.23Å; M561-L563 PolarHBondContact O-N 3.08Å; M561-L563 VanDerWaalsContact O-N 3.14Å; M561-D564 WeakPolarHBondContact CB-OD2 3.46Å; M561-D564 WeakPolarHBondContact CE-OD2 3.25Å; M561-D564 PolarHBondContact N-OD2 3.21Å; M561-D564 WeakPolarHBondContact O-CB 3.46Å; M561-D564 PolarHBondContact O-N 3.07Å; M561-A565 PolarHBondContact O-N 3.21Å; M561-A565 VanDerWaalsContact O-N 3.09Å; M561-S735 WeakPolarHBondContact SD-CB 3.3Å; M561-S735 PolarHBondContact SD-OG 3.49Å
562	E	93.4	Very high	86.8	Confident	30 Å²	30	44.5 Å²	44.5	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-53.8	-36.6	171.3	-174.6	-179.3	155.8	0	0	111.8	D564 A565 V566 L658 S692 W721 L731	E562-D564 VanDerWaalsContact C-N 3.32Å; E562-D564 PolarHBondContact O-N 2.98Å; E562-A565 WeakPolarHBondContact O-CB 3.42Å; E562-A565 PolarHBondContact O-N 3.03Å; E562-V566 WeakPolarHBondContact O-CG2 3.31Å; E562-V566 PolarHBondContact O-N 3.47Å; E562-L658 HydrophobicContact CB-CD2 4.32Å; E562-L658 HydrophobicContact CG-CD2 3.87Å; E562-S692 WeakPolarHBondContact OE1-CB 3.33Å; E562-S692 PolarHBondContact OE1-OG 3.4Å; E562-S692 PolarHBondContact OE2-N 3.07Å; E562-W721 PolarHBondContact OE1-NE1 3.22Å; E562-W721 VanDerWaalsContact OE1-NE1 3.09Å; E562-L731 HydrophobicContact CB-CD2 4.39Å; E562-L731 HydrophobicContact CG-CD1 4.04Å; E562-L731 HydrophobicContact CG-CD2 4.3Å; E562-L731 WeakPolarHBondContact OE2-CD2 3.41Å
563	L	92.1	Very high	87.6	Confident	16 Å²	16	44 Å²	44	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-34.7	177.1	-167.2	65.8	0	0	0	112.9	L439 M561 V566 V567 H728 L731 Y732	L439-L563 HydrophobicContact CD1-CD1 4.06Å; L439-L563 HydrophobicContact CD2-CD1 3.66Å; L439-L563 HydrophobicContact CD2-CG 4Å; L439-L563 HydrophobicContact CG-CD1 4.15Å; L439-L563 HydrophobicContact CG-CG 4.44Å; M561-L563 PolarHBondContact O-N 3.08Å; M561-L563 VanDerWaalsContact O-N 3.14Å; L563-V566 WeakPolarHBondContact O-CB 3.4Å; L563-V566 PolarHBondContact O-N 2.97Å; L563-V567 WeakPolarHBondContact O-CG2 3.48Å; L563-V567 PolarHBondContact O-N 3.22Å; L563-H728 HydrophobicContact CD1-CB 3.87Å; L563-L731 HydrophobicContact CB-CB 4.37Å; L563-L731 HydrophobicContact CD1-CB 4.2Å; L563-L731 HydrophobicContact CD1-CD1 4.4Å; L563-Y732 HydrophobicContact CD2-CD2 4.05Å; L563-Y732 HydrophobicContact CD2-CG 4.47Å
564	D	91	Very high	88.5	Confident	17 Å²	17	44.7 Å²	44.7	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-40	174.7	-60.8	-51	0	0	0	110.5	L560 M561 E562 V566 V567 F568 N602	L560-D564 HydrophobicContact CD1-CB 3.51Å; M561-D564 WeakPolarHBondContact CB-OD2 3.46Å; M561-D564 WeakPolarHBondContact CE-OD2 3.25Å; M561-D564 PolarHBondContact N-OD2 3.21Å; M561-D564 WeakPolarHBondContact O-CB 3.46Å; M561-D564 PolarHBondContact O-N 3.07Å; E562-D564 VanDerWaalsContact C-N 3.32Å; E562-D564 PolarHBondContact O-N 2.98Å; D564-V566 VanDerWaalsContact C-N 3.29Å; D564-V566 PolarHBondContact O-N 3.19Å; D564-V567 WeakPolarHBondContact O-CB 3.39Å; D564-V567 PolarHBondContact O-N 3.32Å; D564-F568 HydrophobicContact CB-CE2 4.23Å; D564-F568 WeakPolarHBondContact O-CD2 3.41Å; D564-F568 PolarHBondContact O-N 2.87Å; D564-N602 PolarHBondContact OD1-ND2 3.26Å
565	A	93.7	Very high	89.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-40.7	173.7	0	0	0	0	0	111.6	M561 E562 V567 F568 I569 L657 L658 W721	M561-A565 PolarHBondContact O-N 3.21Å; M561-A565 VanDerWaalsContact O-N 3.09Å; E562-A565 WeakPolarHBondContact O-CB 3.42Å; E562-A565 PolarHBondContact O-N 3.03Å; A565-V567 VanDerWaalsContact C-N 3.31Å; A565-V567 PolarHBondContact O-N 3.07Å; A565-F568 PolarHBondContact O-N 3.44Å; A565-I569 WeakPolarHBondContact O-CB 3.19Å; A565-I569 WeakPolarHBondContact O-CG1 3.43Å; A565-I569 PolarHBondContact O-N 3.48Å; A565-L657 HydrophobicContact CB-CB 4.18Å; A565-L658 HydrophobicContact CB-CD2 3.81Å; A565-W721 HydrophobicContact CB-CZ2 4.45Å
566	V	95.9	Very high	90.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.8	-44.3	172.1	169	0	0	0	0	111.4	E562 L563 D564 R570 W721 L722	E562-V566 WeakPolarHBondContact O-CG2 3.31Å; E562-V566 PolarHBondContact O-N 3.47Å; L563-V566 WeakPolarHBondContact O-CB 3.4Å; L563-V566 PolarHBondContact O-N 2.97Å; D564-V566 VanDerWaalsContact C-N 3.29Å; D564-V566 PolarHBondContact O-N 3.19Å; V566-R570 WeakPolarHBondContact O-CB 3.15Å; V566-R570 PolarHBondContact O-N 3.08Å; V566-W721 HydrophobicContact CG2-CD2 4.13Å; V566-W721 HydrophobicContact CG2-CH2 4.39Å; V566-W721 HydrophobicContact CG2-CZ2 3.66Å; V566-L722 HydrophobicContact CG1-CD2 4.12Å
567	V	93.9	Very high	92.2	Very high	19 Å²	19	31.7 Å²	31.7	12%	0.115	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-41.6	179.6	173.6	0	0	0	0	111.8	L439 L563 D564 A565 Q571 N602	L439-V567 HydrophobicContact CD2-CG2 3.63Å; L563-V567 WeakPolarHBondContact O-CG2 3.48Å; L563-V567 PolarHBondContact O-N 3.22Å; D564-V567 WeakPolarHBondContact O-CB 3.39Å; D564-V567 PolarHBondContact O-N 3.32Å; A565-V567 VanDerWaalsContact C-N 3.31Å; A565-V567 PolarHBondContact O-N 3.07Å; V567-Q571 PolarHBondContact O-N 3.43Å; V567-Q571 PolarHBondContact O-NE2 2.94Å; V567-N602 HydrophobicContact CG1-CB 3.96Å
568	F	95.4	Very high	93.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.9	-49.5	177.4	-66.8	-52.4	0	0	0	112.1	L549 L560 D564 A565 R570 Q571 I572 N602 I604 L657	L549-F568 HydrophobicContact CD1-CD1 3.76Å; L549-F568 HydrophobicContact CD1-CD2 4.07Å; L549-F568 HydrophobicContact CD1-CE1 3.56Å; L549-F568 HydrophobicContact CD1-CE2 3.89Å; L549-F568 HydrophobicContact CD1-CG 4.02Å; L549-F568 HydrophobicContact CD1-CZ 3.64Å; L549-F568 HydrophobicContact CD2-CB 4.43Å; L549-F568 HydrophobicContact CD2-CD1 4.48Å; L549-F568 HydrophobicContact CD2-CG 4.35Å; L560-F568 HydrophobicContact CD1-CD2 4.12Å; L560-F568 HydrophobicContact CD1-CE2 3.76Å; D564-F568 HydrophobicContact CB-CE2 4.23Å; D564-F568 WeakPolarHBondContact O-CD2 3.41Å; D564-F568 PolarHBondContact O-N 2.87Å; A565-F568 PolarHBondContact O-N 3.44Å; F568-R570 VanDerWaalsContact C-N 3.34Å; F568-R570 PolarHBondContact O-N 2.86Å; F568-Q571 PolarHBondContact O-N 3.09Å; F568-I572 WeakPolarHBondContact O-CG1 3.25Å; F568-I572 PolarHBondContact O-N 3.32Å; F568-N602 HydrophobicContact CE1-CB 3.93Å; F568-N602 HydrophobicContact CZ-CB 4.03Å; F568-I604 HydrophobicContact CD1-CG2 3.53Å; F568-I604 HydrophobicContact CE1-CG2 3.79Å; F568-L657 HydrophobicContact CB-CD1 4.18Å
569	I	97.6	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-38.8	-178.4	-66.3	-57.4	0	0	0	111.7	A565 Q571 I572 C573 L650 I653 T654 L657 F698 W721 L722	A565-I569 WeakPolarHBondContact O-CB 3.19Å; A565-I569 WeakPolarHBondContact O-CG1 3.43Å; A565-I569 PolarHBondContact O-N 3.48Å; I569-Q571 VanDerWaalsContact C-N 3.33Å; I569-Q571 PolarHBondContact O-N 3.11Å; I569-I572 HydrophobicContact CD1-CD1 4.07Å; I569-I572 PolarHBondContact O-N 3.1Å; I569-C573 VanDerWaalsContact O-CB 3.24Å; I569-C573 WeakPolarHBondContact O-CB 3.45Å; I569-C573 PolarHBondContact O-N 2.99Å; I569-L650 HydrophobicContact CD1-CD1 4.26Å; I569-L650 HydrophobicContact CG2-CD1 4.13Å; I569-I653 HydrophobicContact CD1-CG2 4.01Å; I569-T654 VanDerWaalsContact CD1-OG1 3.25Å; I569-T654 WeakPolarHBondContact CD1-OG1 3.3Å; I569-T654 HydrophobicContact CG1-CG2 4.2Å; I569-L657 HydrophobicContact CD1-CD1 3.58Å; I569-L657 HydrophobicContact CG1-CD1 3.87Å; I569-F698 HydrophobicContact CG2-CE1 3.92Å; I569-F698 HydrophobicContact CG2-CZ 3.92Å; I569-W721 HydrophobicContact CB-CH2 4.09Å; I569-W721 HydrophobicContact CB-CZ3 3.9Å; I569-W721 HydrophobicContact CG1-CH2 3.85Å; I569-W721 HydrophobicContact CG1-CZ3 4.02Å; I569-W721 HydrophobicContact CG2-CH2 4.44Å; I569-W721 HydrophobicContact CG2-CZ3 3.78Å; I569-L722 HydrophobicContact CB-CD2 4.28Å; I569-L722 HydrophobicContact CG2-CD1 4.14Å; I569-L722 HydrophobicContact CG2-CD2 4.08Å
570	R	97.6	Very high	95.6	Very high	52 Å²	52	20.2 Å²	20.2	20%	0.196	10%	0.096	C	C	.	.	H	α-helix	trans	-55	-48.9	173.2	176.3	-177.4	-78.2	-95.1	14.5	111.6	V566 F568 C573 E574 L717 L722	V566-R570 WeakPolarHBondContact O-CB 3.15Å; V566-R570 PolarHBondContact O-N 3.08Å; F568-R570 VanDerWaalsContact C-N 3.34Å; F568-R570 PolarHBondContact O-N 2.86Å; R570-C573 PolarHBondContact O-N 3.33Å; R570-E574 WeakPolarHBondContact CG-OE1 3.19Å; R570-E574 WeakPolarHBondContact O-CG 3.26Å; R570-E574 PolarHBondContact O-N 2.78Å; R570-L717 HydrophobicContact CG-CD2 4.08Å; R570-L722 PolarHBondContact NH2-O 3.34Å
571	Q	97.8	Very high	96.3	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.028	12%	0.122	C	C	.	.	H	α-helix	trans	-66.5	-38.9	179.9	-78.5	174.7	86	0	0	113.5	N523 V567 F568 I569 C573 E574 G575 N602 I604	N523-Q571 WeakPolarHBondContact ND2-CB 3.49Å; N523-Q571 PolarHBondContact ND2-OE1 3.3Å; V567-Q571 PolarHBondContact O-N 3.43Å; V567-Q571 PolarHBondContact O-NE2 2.94Å; F568-Q571 PolarHBondContact O-N 3.09Å; I569-Q571 VanDerWaalsContact C-N 3.33Å; I569-Q571 PolarHBondContact O-N 3.11Å; Q571-C573 VanDerWaalsContact C-N 3.29Å; Q571-E574 PolarHBondContact O-N 3.36Å; Q571-G575 PolarHBondContact O-N 3.3Å; Q571-N602 PolarHBondContact NE2-O 3.47Å; Q571-I604 HydrophobicContact CB-CD1 3.78Å; Q571-I604 HydrophobicContact CB-CG1 3.66Å
572	I	98.3	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.7	-43.1	174	-63.3	161	0	0	0	109.3	F568 I569 G575 L576 L589 I594 I604 I606 L650 I653	F568-I572 WeakPolarHBondContact O-CG1 3.25Å; F568-I572 PolarHBondContact O-N 3.32Å; I569-I572 HydrophobicContact CD1-CD1 4.07Å; I569-I572 PolarHBondContact O-N 3.1Å; I572-G575 PolarHBondContact O-N 3.19Å; I572-L576 HydrophobicContact CG2-CD1 4.39Å; I572-L576 WeakPolarHBondContact O-CG 3.27Å; I572-L576 PolarHBondContact O-N 3.35Å; I572-L589 HydrophobicContact CG2-CD1 4.47Å; I572-L589 HydrophobicContact CG2-CD2 4Å; I572-I594 HydrophobicContact CD1-CD1 3.71Å; I572-I594 HydrophobicContact CG1-CD1 4.14Å; I572-I604 HydrophobicContact CG1-CD1 3.83Å; I572-I604 HydrophobicContact CG1-CG1 4.37Å; I572-I606 HydrophobicContact CG2-CD1 4.47Å; I572-L650 HydrophobicContact CB-CD1 4.11Å; I572-L650 HydrophobicContact CG2-CD1 3.6Å; I572-I653 HydrophobicContact CD1-CG2 4.21Å
573	C	98.3	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68	-34.4	179.3	-160.8	0	0	0	0	113	I569 R570 Q571 L576 Q577 L650 A713 L717	I569-C573 VanDerWaalsContact O-CB 3.24Å; I569-C573 WeakPolarHBondContact O-CB 3.45Å; I569-C573 PolarHBondContact O-N 2.99Å; R570-C573 PolarHBondContact O-N 3.33Å; Q571-C573 VanDerWaalsContact C-N 3.29Å; C573-L576 PolarHBondContact O-N 3.43Å; C573-Q577 VanDerWaalsContact O-CB 3.25Å; C573-Q577 WeakPolarHBondContact O-CB 3.49Å; C573-Q577 PolarHBondContact O-N 3.24Å; C573-L650 HydrophobicContact CB-CD2 4.34Å; C573-A713 PolarHBondContact SG-O 3.2Å; C573-L717 HydrophobicContact CB-CD2 3.91Å; C573-L717 HydrophobicContact CB-CG 4.07Å
574	E	98.4	Very high	97.1	Very high	45 Å²	45	27.9 Å²	27.9	21%	0.21	14%	0.135	C	C	.	.	H	α-helix	trans	-62.8	-44.1	171	-75.2	163.4	-179.8	0	0	111.1	R570 Q571 Q577 H578 L717	R570-E574 WeakPolarHBondContact CG-OE1 3.19Å; R570-E574 WeakPolarHBondContact O-CG 3.26Å; R570-E574 PolarHBondContact O-N 2.78Å; Q571-E574 PolarHBondContact O-N 3.36Å; E574-Q577 PolarHBondContact O-N 3Å; E574-H578 PolarHBondContact O-N 2.97Å; E574-H578 VanDerWaalsContact O-N 3.11Å; E574-L717 HydrophobicContact CG-CD1 4.22Å; E574-L717 HydrophobicContact CG-CD2 3.93Å
575	G	98.4	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-47.9	172.8	0	0	0	0	0	113	Q571 I572 H578 M579	Q571-G575 PolarHBondContact O-N 3.3Å; I572-G575 PolarHBondContact O-N 3.19Å; G575-H578 PolarHBondContact O-N 3.26Å; G575-M579 WeakPolarHBondContact O-CG 3.33Å; G575-M579 PolarHBondContact O-N 2.89Å; G575-M579 VanDerWaalsContact O-N 3.12Å
576	L	98.6	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-41.2	177	-71.6	178.2	0	0	0	112.6	I572 C573 H578 M579 H580 H586 L589 D646 M647 L650 A713	I572-L576 HydrophobicContact CG2-CD1 4.39Å; I572-L576 WeakPolarHBondContact O-CG 3.27Å; I572-L576 PolarHBondContact O-N 3.35Å; C573-L576 PolarHBondContact O-N 3.43Å; L576-H578 VanDerWaalsContact C-N 3.28Å; L576-H578 PolarHBondContact O-N 3.11Å; L576-M579 PolarHBondContact O-N 3.47Å; L576-H580 WeakPolarHBondContact O-CB 3.36Å; L576-H580 PolarHBondContact O-CD2 2.84Å; L576-H580 PolarHBondContact O-N 3.4Å; L576-H586 HydrophobicContact CD2-CB 4.21Å; L576-L589 HydrophobicContact CD1-CD2 3.87Å; L576-L589 HydrophobicContact CD2-CD2 4.29Å; L576-L589 HydrophobicContact CG-CD2 4.42Å; L576-D646 HydrophobicContact CD2-CB 4.08Å; L576-M647 HydrophobicContact CD1-SD 4.33Å; L576-L650 HydrophobicContact CD1-CB 4.33Å; L576-L650 HydrophobicContact CD1-CD1 4.34Å; L576-L650 HydrophobicContact CD1-CD2 4.47Å; L576-A713 HydrophobicContact CB-CB 4.3Å
577	Q	98.5	Very high	97.4	Very high	69 Å²	69	28.1 Å²	28.1	32%	0.322	14%	0.136	S	C	.	.	H	α-helix	trans	-56.7	-44.9	176.4	177.3	-177.4	65.4	0	0	110.8	C573 E574 H580 K581 A713 C714 L717	C573-Q577 VanDerWaalsContact O-CB 3.25Å; C573-Q577 WeakPolarHBondContact O-CB 3.49Å; C573-Q577 PolarHBondContact O-N 3.24Å; E574-Q577 PolarHBondContact O-N 3Å; Q577-H580 PolarHBondContact O-N 3Å; Q577-K581 VanDerWaalsContact O-CB 3.31Å; Q577-K581 WeakPolarHBondContact O-CB 3.33Å; Q577-K581 PolarHBondContact O-N 3.41Å; Q577-A713 HydrophobicContact CB-CB 3.98Å; Q577-C714 PolarHBondContact NE2-SG 3.28Å; Q577-L717 HydrophobicContact CB-CD1 4.1Å; Q577-L717 HydrophobicContact CG-CD1 4.4Å
578	H	98.6	Very high	97.3	Very high	40 Å²	40	28.5 Å²	28.5	19%	0.185	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-48.5	176.4	-175.8	76.4	0	0	0	111.8	D520 H521 E574 G575 L576 H580 K581 M582	D520-H578 PolarHBondContact O-CE1 2.69Å; D520-H578 VanDerWaalsContact O-CE1 3.26Å; D520-H578 PolarHBondContact O-NE2 3.4Å; H521-H578 HydrophobicContact CB-CB 4.32Å; H521-H578 AromaticContact CD2-CG 3.86Å; H521-H578 AromaticContact CD2-ND1 3.98Å; H521-H578 AromaticContact CG-CG 3.99Å; E574-H578 PolarHBondContact O-N 2.97Å; E574-H578 VanDerWaalsContact O-N 3.11Å; G575-H578 PolarHBondContact O-N 3.26Å; L576-H578 VanDerWaalsContact C-N 3.28Å; L576-H578 PolarHBondContact O-N 3.11Å; H578-H580 PolarHBondContact O-N 3.06Å; H578-K581 PolarHBondContact O-N 3.37Å; H578-M582 WeakPolarHBondContact O-CG 3.21Å; H578-M582 PolarHBondContact O-N 3.29Å; H578-M582 VanDerWaalsContact O-N 3.08Å
579	M	98.6	Very high	97.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58	-47.3	177.2	-66.7	-179	71.5	0	0	112	L519 L524 G575 L576 K581 M582 S583 I584 H586 F609 A612	L519-M579 HydrophobicContact CD1-CE 4.13Å; L519-M579 HydrophobicContact CD1-CG 4.24Å; L519-M579 HydrophobicContact CD2-CB 4.34Å; L519-M579 HydrophobicContact CD2-CG 3.81Å; L524-M579 HydrophobicContact CD1-CG 3.86Å; L524-M579 HydrophobicContact CD2-CG 4.39Å; L524-M579 HydrophobicContact CD2-SD 4.17Å; G575-M579 WeakPolarHBondContact O-CG 3.33Å; G575-M579 PolarHBondContact O-N 2.89Å; G575-M579 VanDerWaalsContact O-N 3.12Å; L576-M579 PolarHBondContact O-N 3.47Å; M579-K581 PolarHBondContact O-N 2.82Å; M579-M582 CarbonylContact O-C 3.55Å; M579-M582 WeakPolarHBondContact O-CA 3.34Å; M579-M582 PolarHBondContact O-N 3.21Å; M579-M582 VanDerWaalsContact O-N 3.11Å; M579-S583 PolarHBondContact O-N 3.01Å; M579-I584 CarbonylContact C-O 3.52Å; M579-I584 HydrophobicContact CB-CB 4.5Å; M579-I584 HydrophobicContact CE-CG2 3.73Å; M579-I584 PolarHBondContact O-N 2.86Å; M579-H586 HydrophobicContact CE-CB 3.73Å; M579-H586 HydrophobicContact SD-CB 4.18Å; M579-F609 HydrophobicContact CE-CD1 3.83Å; M579-F609 HydrophobicContact CE-CE1 3.8Å; M579-F609 HydrophobicContact SD-CD1 4.44Å; M579-F609 HydrophobicContact SD-CE1 3.82Å; M579-A612 HydrophobicContact CE-CB 4.34Å
580	H	98.2	Very high	96.9	Very high	25 Å²	25	29.4 Å²	29.4	12%	0.116	14%	0.141	C	C	.	.	H	α-helix	trans	-66	-37.8	-178.7	-66.8	-178.5	0	0	0	111.8	L576 Q577 H578 M582 S583 I584 F643 D646	L576-H580 WeakPolarHBondContact O-CB 3.36Å; L576-H580 PolarHBondContact O-CD2 2.84Å; L576-H580 PolarHBondContact O-N 3.4Å; Q577-H580 PolarHBondContact O-N 3Å; H578-H580 PolarHBondContact O-N 3.06Å; H580-M582 VanDerWaalsContact C-N 3.25Å; H580-M582 PolarHBondContact O-N 3.49Å; H580-S583 WeakPolarHBondContact O-CA 3.36Å; H580-S583 PolarHBondContact O-N 3.46Å; H580-I584 PolarHBondContact CD2-O 3.49Å; H580-F643 HydrophobicContact CB-CD1 3.89Å; H580-F643 HydrophobicContact CB-CE1 4.38Å; H580-F643 AromaticContact CD2-CD1 3.68Å; H580-F643 PolarHBondContact CE1-O 3.3Å; H580-F643 VanDerWaalsContact CE1-O 3.3Å; H580-F643 AromaticContact CG-CD1 3.7Å; H580-D646 IonicContact CD2-OD2 2.7Å; H580-D646 IonicContact CE1-OD2 2.83Å; H580-D646 IonicContact NE2-OD2 3.26Å; H580-D646 PolarHBondContact NE2-OD2 3.04Å
581	K	98.1	Very high	96.5	Very high	175 Å²	175	27.7 Å²	27.7	76%	0.761	14%	0.136	S	C	*	.	H	α-helix	trans	-61.6	-35.2	172.9	-175.1	179.2	177.8	-176.4	0	112	Q577 H578 M579 S583	Q577-K581 VanDerWaalsContact O-CB 3.31Å; Q577-K581 WeakPolarHBondContact O-CB 3.33Å; Q577-K581 PolarHBondContact O-N 3.41Å; H578-K581 PolarHBondContact O-N 3.37Å; M579-K581 PolarHBondContact O-N 2.82Å; K581-S583 PolarHBondContact O-N 2.93Å
582	M	97.9	Very high	96.1	Very high	79 Å²	79	31.4 Å²	31.4	39%	0.389	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	9.3	173.3	-61.9	-54.6	-67.2	0	0	113.3	N518 L519 H578 M579 H580 I584	N518-M582 HydrophobicContact CB-CE 4.36Å; L519-M582 HydrophobicContact CD2-CB 4.5Å; H578-M582 WeakPolarHBondContact O-CG 3.21Å; H578-M582 PolarHBondContact O-N 3.29Å; H578-M582 VanDerWaalsContact O-N 3.08Å; M579-M582 CarbonylContact O-C 3.55Å; M579-M582 WeakPolarHBondContact O-CA 3.34Å; M579-M582 PolarHBondContact O-N 3.21Å; M579-M582 VanDerWaalsContact O-N 3.11Å; H580-M582 VanDerWaalsContact C-N 3.25Å; H580-M582 PolarHBondContact O-N 3.49Å; M582-I584 VanDerWaalsContact C-N 3.26Å; M582-I584 HydrophobicContact CB-CD1 3.99Å; M582-I584 HydrophobicContact CB-CG1 4.43Å; M582-I584 PolarHBondContact O-N 2.86Å
583	S	97.1	Very high	95.9	Very high	58 Å²	58	31.7 Å²	31.7	41%	0.406	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	37.7	-175.1	-61.3	0	0	0	0	113	M579 H580 K581 V614 Y615	M579-S583 PolarHBondContact O-N 3.01Å; H580-S583 WeakPolarHBondContact O-CA 3.36Å; H580-S583 PolarHBondContact O-N 3.46Å; K581-S583 PolarHBondContact O-N 2.93Å; S583-V614 CarbonylContact O-C 3.55Å; S583-V614 WeakPolarHBondContact O-CA 3.46Å; S583-Y615 WeakPolarHBondContact O-CB 3.04Å; S583-Y615 PolarHBondContact O-N 3.33Å
584	I	97.6	Very high	95.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.5	177.9	-68.2	162.3	0	0	0	109.3	V515 N518 L519 M579 H580 M582 A612 R613 V614	V515-I584 HydrophobicContact CG1-CD1 4.27Å; V515-I584 HydrophobicContact CG1-CG2 3.77Å; N518-I584 HydrophobicContact CB-CD1 3.89Å; L519-I584 HydrophobicContact CD1-CD1 4.47Å; L519-I584 HydrophobicContact CD2-CD1 3.66Å; L519-I584 HydrophobicContact CG-CD1 3.97Å; M579-I584 CarbonylContact C-O 3.52Å; M579-I584 HydrophobicContact CB-CB 4.5Å; M579-I584 HydrophobicContact CE-CG2 3.73Å; M579-I584 PolarHBondContact O-N 2.86Å; H580-I584 PolarHBondContact CD2-O 3.49Å; M582-I584 VanDerWaalsContact C-N 3.26Å; M582-I584 HydrophobicContact CB-CD1 3.99Å; M582-I584 HydrophobicContact CB-CG1 4.43Å; M582-I584 PolarHBondContact O-N 2.86Å; I584-A612 HydrophobicContact CG2-CB 4.43Å; I584-R613 CarbonylContact C-O 3.53Å; I584-R613 WeakPolarHBondContact CA-O 3.34Å; I584-V614 HydrophobicContact CG1-CG2 4.37Å
585	L	96.3	Very high	95.6	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	142.9	170.4	-53.9	-174.9	0	0	0	110.1	L587 A612 R613 Y615 V641 S642 F643	L585-L587 HydrophobicContact CB-CD1 3.86Å; L585-L587 HydrophobicContact CB-CD2 4.06Å; L585-L587 HydrophobicContact CB-CG 3.68Å; L585-L587 HydrophobicContact CD1-CD1 4.26Å; L585-L587 HydrophobicContact CD1-CD2 4.06Å; L585-L587 HydrophobicContact CD1-CG 4.4Å; L585-A612 WeakPolarHBondContact O-CA 3.36Å; L585-A612 VanDerWaalsContact O-CB 3.29Å; L585-A612 WeakPolarHBondContact O-CB 3.15Å; L585-R613 PolarHBondContact N-O 3.42Å; L585-R613 PolarHBondContact O-N 2.86Å; L585-R613 VanDerWaalsContact O-N 3.09Å; L585-Y615 HydrophobicContact CD1-CD2 3.87Å; L585-Y615 HydrophobicContact CD2-CD2 4.28Å; L585-Y615 HydrophobicContact CG-CD2 4.22Å; L585-V641 HydrophobicContact CD1-CB 4.44Å; L585-V641 HydrophobicContact CD1-CG2 3.86Å; L585-S642 VanDerWaalsContact CD2-C 3.47Å; L585-F643 HydrophobicContact CD2-CB 4.3Å; L585-F643 HydrophobicContact CD2-CD1 3.28Å; L585-F643 HydrophobicContact CD2-CE1 3.68Å; L585-F643 HydrophobicContact CD2-CG 3.9Å
586	H	96.4	Very high	95.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.153	C	C	.	.			trans	-83.5	-52.9	176.6	-173.5	-77.9	0	0	0	112.5	L576 M579 D588 L589 I606 D608 A612 D646	L576-H586 HydrophobicContact CD2-CB 4.21Å; M579-H586 HydrophobicContact CE-CB 3.73Å; M579-H586 HydrophobicContact SD-CB 4.18Å; H586-D588 PolarHBondContact CE1-O 3.33Å; H586-D588 VanDerWaalsContact ND1-C 3.25Å; H586-D588 PolarHBondContact ND1-N 2.88Å; H586-D588 PolarHBondContact O-N 3.11Å; H586-L589 PolarHBondContact CE1-N 3.03Å; H586-L589 WeakPolarHBondContact ND1-CA 3.23Å; H586-L589 PolarHBondContact ND1-N 3.48Å; H586-I606 WeakPolarHBondContact NE2-CG2 3.43Å; H586-D608 PolarHBondContact CE1-O 2.95Å; H586-D608 PolarHBondContact NE2-O 3.41Å; H586-A612 PolarHBondContact O-N 2.86Å; H586-D646 PolarHBondContact N-OD1 3.48Å; H586-D646 PolarHBondContact N-OD2 2.9Å
587	L	93.4	Very high	95	Very high	19 Å²	19	32.5 Å²	32.5	10%	0.099	16%	0.162	C	C	.	.			trans	66.4	-7.3	172.7	-56.1	166.8	0	0	0	117.6	L585 L611 R613 L621 V641 T645 D646	L585-L587 HydrophobicContact CB-CD1 3.86Å; L585-L587 HydrophobicContact CB-CD2 4.06Å; L585-L587 HydrophobicContact CB-CG 3.68Å; L585-L587 HydrophobicContact CD1-CD1 4.26Å; L585-L587 HydrophobicContact CD1-CD2 4.06Å; L585-L587 HydrophobicContact CD1-CG 4.4Å; L587-L611 HydrophobicContact CB-CB 4.25Å; L587-R613 HydrophobicContact CD1-CG 3.88Å; L587-L621 HydrophobicContact CD1-CD1 3.58Å; L587-L621 HydrophobicContact CG-CD1 4.5Å; L587-V641 HydrophobicContact CD1-CG2 4.45Å; L587-V641 HydrophobicContact CD2-CB 3.84Å; L587-V641 HydrophobicContact CD2-CG1 4.13Å; L587-V641 HydrophobicContact CD2-CG2 3.93Å; L587-T645 HydrophobicContact CD2-CG2 4.17Å; L587-D646 PolarHBondContact N-OD1 2.87Å
588	D	92	Very high	94.5	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.144	16%	0.162	C	C	.	.			trans	-132.5	40.5	174.3	-159.6	35.1	0	0	0	111.9	F478 H586 K590 N593 L611	F478-D588 WeakPolarHBondContact CE2-OD2 3.4Å; H586-D588 PolarHBondContact CE1-O 3.33Å; H586-D588 VanDerWaalsContact ND1-C 3.25Å; H586-D588 PolarHBondContact ND1-N 2.88Å; H586-D588 PolarHBondContact O-N 3.11Å; D588-K590 PolarHBondContact O-N 3.29Å; D588-K590 WeakPolarHBondContact OD1-CE 3.3Å; D588-K590 IonicContact OD1-NZ 2.86Å; D588-K590 VanDerWaalsContact OD2-CE 3.22Å; D588-K590 WeakPolarHBondContact OD2-CE 3.49Å; D588-K590 IonicContact OD2-NZ 3.89Å; D588-K590 PolarHBondContact OD2-NZ 2.92Å; D588-N593 PolarHBondContact O-ND2 3.44Å; D588-N593 PolarHBondContact OD2-ND2 2.86Å; D588-L611 HydrophobicContact CB-CB 4.17Å; D588-L611 HydrophobicContact CB-CD1 3.92Å; D588-L611 HydrophobicContact CB-CG 4.11Å
589	L	93.8	Very high	93.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.176	C	C	.	.			trans	-80	120.1	-177.2	-170	73.8	0	0	0	109.8	I572 L576 H586 I606 S649 I653	I572-L589 HydrophobicContact CG2-CD1 4.47Å; I572-L589 HydrophobicContact CG2-CD2 4Å; L576-L589 HydrophobicContact CD1-CD2 3.87Å; L576-L589 HydrophobicContact CD2-CD2 4.29Å; L576-L589 HydrophobicContact CG-CD2 4.42Å; H586-L589 PolarHBondContact CE1-N 3.03Å; H586-L589 WeakPolarHBondContact ND1-CA 3.23Å; H586-L589 PolarHBondContact ND1-N 3.48Å; L589-I606 HydrophobicContact CD1-CD1 4.14Å; L589-I606 HydrophobicContact CD1-CG1 4.45Å; L589-I606 HydrophobicContact CD1-CG2 4.38Å; L589-S649 WeakPolarHBondContact O-CB 3.38Å; L589-I653 HydrophobicContact CD2-CD1 3.91Å; L589-I653 HydrophobicContact CG-CD1 3.72Å
590	K	90.9	Very high	92.8	Very high	17 Å²	17	41.5 Å²	41.5	7%	0.074	21%	0.212	C	C	.	.			trans	-159.5	162.3	-174.6	51.7	179.7	173	179.5	0	110.6	D588 E592 N593 F630	D588-K590 PolarHBondContact O-N 3.29Å; D588-K590 WeakPolarHBondContact OD1-CE 3.3Å; D588-K590 IonicContact OD1-NZ 2.86Å; D588-K590 VanDerWaalsContact OD2-CE 3.22Å; D588-K590 WeakPolarHBondContact OD2-CE 3.49Å; D588-K590 IonicContact OD2-NZ 3.89Å; D588-K590 PolarHBondContact OD2-NZ 2.92Å; K590-E592 VanDerWaalsContact CD-CD 3.43Å; K590-E592 HydrophobicContact CD-CG 3.48Å; K590-E592 VanDerWaalsContact CD-CG 3.48Å; K590-E592 VanDerWaalsContact CE-CG 3.48Å; K590-E592 WeakPolarHBondContact CE-OE1 3.39Å; K590-E592 HydrophobicContact CG-CG 3.63Å; K590-E592 IonicContact NZ-OE1 2.62Å; K590-E592 PolarHBondContact NZ-OE1 3.22Å; K590-E592 PolarHBondContact O-N 2.84Å; K590-N593 WeakPolarHBondContact CE-ND2 3.17Å; K590-N593 HydrophobicContact CG-CB 4.18Å; K590-N593 PolarHBondContact O-N 2.91Å; K590-F630 HydrophobicContact CB-CD1 4.23Å; K590-F630 HydrophobicContact CB-CD2 4.1Å; K590-F630 HydrophobicContact CB-CE2 4.41Å; K590-F630 HydrophobicContact CB-CG 4.03Å
591	P	89.4	Confident	92.1	Very high	16 Å²	16	42.9 Å²	42.9	10%	0.104	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-41.4	-53	177.7	-39.1	42.3	0	0	0	115.9	F550 N593 I594 F630 M656	F550-P591 HydrophobicContact CB-CB 4.36Å; F550-P591 HydrophobicContact CD1-CB 4.37Å; F550-P591 HydrophobicContact CD1-CG 4.45Å; F550-P591 HydrophobicContact CD2-CB 3.32Å; F550-P591 HydrophobicContact CD2-CG 3.85Å; F550-P591 HydrophobicContact CE1-CG 4.21Å; F550-P591 HydrophobicContact CE2-CB 3.56Å; F550-P591 HydrophobicContact CE2-CG 3.55Å; F550-P591 HydrophobicContact CG-CB 3.75Å; F550-P591 HydrophobicContact CG-CG 4.27Å; F550-P591 HydrophobicContact CZ-CB 4.19Å; F550-P591 HydrophobicContact CZ-CG 3.75Å; P591-N593 PolarHBondContact O-N 3.46Å; P591-N593 VanDerWaalsContact O-N 3.11Å; P591-I594 PolarHBondContact O-N 2.91Å; P591-I594 VanDerWaalsContact O-N 3.11Å; P591-F630 HydrophobicContact CG-CE1 3.84Å; P591-F630 HydrophobicContact CG-CZ 3.72Å; P591-M656 HydrophobicContact CG-CE 4.03Å; P591-M656 HydrophobicContact CG-SD 4.26Å
592	E	88.8	Confident	91.7	Very high	84 Å²	84	36.3 Å²	36.3	39%	0.393	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-62.6	-17.6	-178.4	61	-168.2	-120.6	0	0	113.8	K590	K590-E592 VanDerWaalsContact CD-CD 3.43Å; K590-E592 HydrophobicContact CD-CG 3.48Å; K590-E592 VanDerWaalsContact CD-CG 3.48Å; K590-E592 VanDerWaalsContact CE-CG 3.48Å; K590-E592 WeakPolarHBondContact CE-OE1 3.39Å; K590-E592 HydrophobicContact CG-CG 3.63Å; K590-E592 IonicContact NZ-OE1 2.62Å; K590-E592 PolarHBondContact NZ-OE1 3.22Å; K590-E592 PolarHBondContact O-N 2.84Å
593	N	93.7	Very high	91.5	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.037	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-96.3	11.5	179.7	-72.7	-13.8	0	0	0	113.1	D588 K590 P591 I606 I607 D608	D588-N593 PolarHBondContact O-ND2 3.44Å; D588-N593 PolarHBondContact OD2-ND2 2.86Å; K590-N593 WeakPolarHBondContact CE-ND2 3.17Å; K590-N593 HydrophobicContact CG-CB 4.18Å; K590-N593 PolarHBondContact O-N 2.91Å; P591-N593 PolarHBondContact O-N 3.46Å; P591-N593 VanDerWaalsContact O-N 3.11Å; N593-I606 WeakPolarHBondContact O-CA 3.38Å; N593-I607 VanDerWaalsContact O-CG1 3.31Å; N593-I607 WeakPolarHBondContact O-CG1 3.42Å; N593-I607 PolarHBondContact O-N 2.86Å; N593-D608 HydrophobicContact CB-CB 4.35Å; N593-D608 WeakPolarHBondContact OD1-CB 3.38Å
594	I	95.4	Very high	91.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.1	179.1	-57.7	163.6	0	0	0	109.7	L549 I572 P591 I604 I653	L549-I594 HydrophobicContact CB-CB 4.39Å; L549-I594 HydrophobicContact CB-CG2 4.01Å; L549-I594 HydrophobicContact CD2-CG2 3.88Å; L549-I594 PolarHBondContact N-O 2.83Å; I572-I594 HydrophobicContact CD1-CD1 3.71Å; I572-I594 HydrophobicContact CG1-CD1 4.14Å; P591-I594 PolarHBondContact O-N 2.91Å; P591-I594 VanDerWaalsContact O-N 3.11Å; I594-I604 HydrophobicContact CG2-CB 3.96Å; I594-I604 HydrophobicContact CG2-CD1 4.31Å; I594-I604 HydrophobicContact CG2-CG1 4.36Å; I594-I604 HydrophobicContact CG2-CG2 4.25Å; I594-I653 HydrophobicContact CD1-CD1 3.94Å
595	L	95	Very high	91.5	Very high	29 Å²	29	30.1 Å²	30.1	15%	0.152	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.1	175.6	-62.6	-169.3	0	0	0	111.9	V544 G547 E548 I604 K605 I607	V544-L595 HydrophobicContact CB-CD1 4.15Å; V544-L595 HydrophobicContact CG1-CB 4.02Å; V544-L595 HydrophobicContact CG1-CD1 4.28Å; G547-L595 CarbonylContact O-C 3.53Å; G547-L595 WeakPolarHBondContact O-CA 3.4Å; E548-L595 HydrophobicContact CB-CD2 4.28Å; E548-L595 HydrophobicContact CG-CD2 3.71Å; L595-I604 CarbonylContact O-C 3.56Å; L595-I604 WeakPolarHBondContact O-CA 3.46Å; L595-I604 WeakPolarHBondContact O-CB 3.3Å; L595-K605 PolarHBondContact N-O 2.95Å; L595-K605 PolarHBondContact O-N 2.9Å; L595-I607 HydrophobicContact CB-CG2 3.97Å; L595-I607 HydrophobicContact CD1-CD1 3.89Å; L595-I607 HydrophobicContact CD1-CG1 4.5Å; L595-I607 HydrophobicContact CD1-CG2 3.82Å; L595-I607 HydrophobicContact CD2-CD1 3.94Å; L595-I607 HydrophobicContact CG-CB 4.36Å; L595-I607 HydrophobicContact CG-CD1 3.61Å; L595-I607 HydrophobicContact CG-CG1 3.97Å; L595-I607 HydrophobicContact CG-CG2 3.64Å
596	C	93.6	Very high	91.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	138.3	162	-69.3	0	0	0	0	109.9	V544 G546 G547 K603	V544-C596 VanDerWaalsContact CG1-O 3.23Å; V544-C596 WeakPolarHBondContact CG1-O 3.33Å; G546-C596 CarbonylContact C-O 3.59Å; G546-C596 WeakPolarHBondContact CA-O 3.43Å; G546-C596 PolarHBondContact N-O 2.98Å; G547-C596 PolarHBondContact O-N 3.31Å; C596-K603 CarbonylContact C-O 3.44Å; C596-K603 WeakPolarHBondContact CA-O 3.41Å
597	V	92.5	Very high	91.5	Very high	32 Å²	32	32 Å²	32	19%	0.194	17%	0.169	C	C	.	.	S	Bend	trans	-65.6	-43.6	172.4	176.3	0	0	0	0	110.7	P444 P445 G546 K603 K605	P444-V597 HydrophobicContact CB-CG2 4.02Å; P445-V597 HydrophobicContact CG-CG1 3.7Å; G546-V597 PolarHBondContact N-O 3.28Å; V597-K603 HydrophobicContact CB-CB 4Å; V597-K603 HydrophobicContact CG2-CB 3.95Å; V597-K603 PolarHBondContact N-O 3.18Å; V597-K605 HydrophobicContact CG2-CD 4.15Å; V597-K605 HydrophobicContact CG2-CG 4.09Å
598	S	87.4	Confident	91.4	Very high	45 Å²	45	31.9 Å²	31.9	32%	0.315	17%	0.168	S	C	.	.			trans	-145.8	147.8	173.9	163.6	0	0	0	0	108.7	R552 V600 T601	R552-S598 PolarHBondContact NH1-O 2.95Å; S598-V600 PolarHBondContact O-N 3.36Å; S598-V600 PolarHBondContact OG-N 3.46Å; S598-T601 WeakPolarHBondContact CB-OG1 3.49Å; S598-T601 PolarHBondContact O-N 3.35Å; S598-T601 PolarHBondContact O-OG1 3.37Å
599	R	79.5	Confident	91.6	Very high	127 Å²	127	30.7 Å²	30.7	48%	0.479	16%	0.162	S	C	.	.	S	Bend	trans	-65.7	-12.1	174.4	-69.3	-171.8	176.5	-116.1	-4.1	113.8	G546 R552 D555	G546-R599 VanDerWaalsContact O-CG 3.24Å; G546-R599 WeakPolarHBondContact O-CG 3.49Å; R552-R599 VanDerWaalsContact CZ-C 3.43Å; R552-R599 PolarHBondContact NE-O 3.21Å; R552-R599 VanDerWaalsContact NH1-C 3.3Å; R552-R599 PolarHBondContact NH1-O 3.28Å; R552-R599 PolarHBondContact NH2-O 2.92Å; D555-R599 IonicContact OD2-NH1 3.85Å
600	V	80.8	Confident	91.4	Very high	127 Å²	127	31.8 Å²	31.8	77%	0.77	17%	0.174	S	C	*	.	S	Bend	trans	-94.8	-33.5	178.6	-174.7	0	0	0	0	111.1	S598	S598-V600 PolarHBondContact O-N 3.36Å; S598-V600 PolarHBondContact OG-N 3.46Å
601	T	84.5	Confident	91.4	Very high	54 Å²	54	31.9 Å²	31.9	33%	0.331	18%	0.175	S	C	.	.	S	Bend	trans	-96.1	139.8	-176	64.5	0	0	0	0	110.3	R552 S598 K603	R552-T601 PolarHBondContact NH1-O 3.03Å; S598-T601 WeakPolarHBondContact CB-OG1 3.49Å; S598-T601 PolarHBondContact O-N 3.35Å; S598-T601 PolarHBondContact O-OG1 3.37Å; T601-K603 PolarHBondContact O-N 2.92Å
602	N	89.2	Confident	91.6	Very high	36 Å²	36	31.1 Å²	31.1	19%	0.193	17%	0.17	C	C	.	.			trans	-80.4	44.7	173.5	-67.7	-6	0	0	0	111.5	R552 D564 V567 F568 Q571	R552-N602 PolarHBondContact NH2-OD1 2.88Å; D564-N602 PolarHBondContact OD1-ND2 3.26Å; V567-N602 HydrophobicContact CG1-CB 3.96Å; F568-N602 HydrophobicContact CE1-CB 3.93Å; F568-N602 HydrophobicContact CZ-CB 4.03Å; Q571-N602 PolarHBondContact NE2-O 3.47Å
603	K	94.1	Very high	91.8	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.035	16%	0.161	C	C	.	.			trans	-107.2	134.1	-177	-63.5	-53.6	-178	-161.3	0	110.1	D440 T442 P444 C596 V597 T601	D440-K603 PolarHBondContact O-NZ 3.43Å; D440-K603 IonicContact OD1-NZ 2.73Å; D440-K603 PolarHBondContact OD1-NZ 3.23Å; D440-K603 WeakPolarHBondContact OD2-CE 3.32Å; D440-K603 IonicContact OD2-NZ 2.94Å; D440-K603 PolarHBondContact OD2-NZ 2.85Å; T442-K603 WeakPolarHBondContact O-CE 3.24Å; T442-K603 PolarHBondContact O-NZ 3.37Å; T442-K603 WeakPolarHBondContact OG1-CE 3.21Å; T442-K603 PolarHBondContact OG1-NZ 3.05Å; T442-K603 VanDerWaalsContact OG1-NZ 3.08Å; P444-K603 HydrophobicContact CB-CB 4.05Å; C596-K603 CarbonylContact C-O 3.44Å; C596-K603 WeakPolarHBondContact CA-O 3.41Å; V597-K603 HydrophobicContact CB-CB 4Å; V597-K603 HydrophobicContact CG2-CB 3.95Å; V597-K603 PolarHBondContact N-O 3.18Å; T601-K603 PolarHBondContact O-N 2.92Å
604	I	96.3	Very high	91.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159	-176.3	64.8	82.2	0	0	0	113.1	N523 L549 F568 Q571 I572 I594 L595	N523-I604 PolarHBondContact ND2-O 3.44Å; L549-I604 HydrophobicContact CD1-CG2 4.28Å; F568-I604 HydrophobicContact CD1-CG2 3.53Å; F568-I604 HydrophobicContact CE1-CG2 3.79Å; Q571-I604 HydrophobicContact CB-CD1 3.78Å; Q571-I604 HydrophobicContact CB-CG1 3.66Å; I572-I604 HydrophobicContact CG1-CD1 3.83Å; I572-I604 HydrophobicContact CG1-CG1 4.37Å; I594-I604 HydrophobicContact CG2-CB 3.96Å; I594-I604 HydrophobicContact CG2-CD1 4.31Å; I594-I604 HydrophobicContact CG2-CG1 4.36Å; I594-I604 HydrophobicContact CG2-CG2 4.25Å; L595-I604 CarbonylContact O-C 3.56Å; L595-I604 WeakPolarHBondContact O-CA 3.46Å; L595-I604 WeakPolarHBondContact O-CB 3.3Å
605	K	97.6	Very high	91.8	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.7	168.2	-72.8	174	178.9	-95.6	0	110.2	P445 A522 N523 E542 V544 L595 V597 I607	P445-K605 PolarHBondContact O-NZ 3.44Å; A522-K605 WeakPolarHBondContact O-CE 3.4Å; A522-K605 WeakPolarHBondContact O-CG 3.37Å; A522-K605 PolarHBondContact O-NZ 3.42Å; N523-K605 CarbonylContact O-C 3.5Å; N523-K605 VanDerWaalsContact O-CA 3.31Å; N523-K605 WeakPolarHBondContact O-CA 3.3Å; E542-K605 VanDerWaalsContact CD-NZ 3.31Å; E542-K605 WeakPolarHBondContact OE1-CE 3.26Å; E542-K605 IonicContact OE1-NZ 3.78Å; E542-K605 PolarHBondContact OE1-NZ 2.83Å; E542-K605 IonicContact OE2-NZ 3.83Å; E542-K605 PolarHBondContact OE2-NZ 3.19Å; V544-K605 HydrophobicContact CG2-CD 3.78Å; L595-K605 PolarHBondContact N-O 2.95Å; L595-K605 PolarHBondContact O-N 2.9Å; V597-K605 HydrophobicContact CG2-CD 4.15Å; V597-K605 HydrophobicContact CG2-CG 4.09Å; K605-I607 HydrophobicContact CB-CG2 4.45Å
606	I	97.9	Very high	91.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.6	167	-57.9	174.4	0	0	0	107.9	N523 L524 I525 I572 H586 L589 N593 F609	N523-I606 PolarHBondContact O-N 2.9Å; L524-I606 HydrophobicContact CD2-CB 3.94Å; L524-I606 HydrophobicContact CD2-CD1 3.92Å; L524-I606 HydrophobicContact CD2-CG1 4.3Å; I525-I606 PolarHBondContact N-O 3.35Å; I572-I606 HydrophobicContact CG2-CD1 4.47Å; H586-I606 WeakPolarHBondContact NE2-CG2 3.43Å; L589-I606 HydrophobicContact CD1-CD1 4.14Å; L589-I606 HydrophobicContact CD1-CG1 4.45Å; L589-I606 HydrophobicContact CD1-CG2 4.38Å; N593-I606 WeakPolarHBondContact O-CA 3.38Å; I606-F609 HydrophobicContact CG2-CE1 4.23Å; I606-F609 HydrophobicContact CG2-CZ 4.41Å
607	I	95.6	Very high	91.1	Very high	42 Å²	42	45.3 Å²	45.3	22%	0.215	24%	0.241	C	C	.	.			trans	-119.7	-8.4	-163.5	59.6	144.8	0	0	0	117	I525 N593 L595 K605	I525-I607 HydrophobicContact CB-CB 4.49Å; I525-I607 HydrophobicContact CB-CG2 4.24Å; I525-I607 HydrophobicContact CD1-CG2 4.28Å; I525-I607 HydrophobicContact CG2-CB 4.45Å; I525-I607 WeakPolarHBondContact CG2-O 3.2Å; N593-I607 VanDerWaalsContact O-CG1 3.31Å; N593-I607 WeakPolarHBondContact O-CG1 3.42Å; N593-I607 PolarHBondContact O-N 2.86Å; L595-I607 HydrophobicContact CB-CG2 3.97Å; L595-I607 HydrophobicContact CD1-CD1 3.89Å; L595-I607 HydrophobicContact CD1-CG1 4.5Å; L595-I607 HydrophobicContact CD1-CG2 3.82Å; L595-I607 HydrophobicContact CD2-CD1 3.94Å; L595-I607 HydrophobicContact CG-CB 4.36Å; L595-I607 HydrophobicContact CG-CD1 3.61Å; L595-I607 HydrophobicContact CG-CG1 3.97Å; L595-I607 HydrophobicContact CG-CG2 3.64Å; K605-I607 HydrophobicContact CB-CG2 4.45Å
608	D	92.3	Very high	90.5	Very high	16 Å²	16	53.8 Å²	53.8	9%	0.086	27%	0.27	C	S	.	.			trans	-130.4	128.5	-179.4	-157.8	-15.9	0	0	0	112.3	F478 K496 H586 N593 G610	F478-D608 VanDerWaalsContact CD2-OD2 3.22Å; F478-D608 WeakPolarHBondContact CD2-OD2 3.21Å; K496-D608 IonicContact NZ-OD1 2.83Å; K496-D608 PolarHBondContact NZ-OD1 3.03Å; K496-D608 IonicContact NZ-OD2 2.77Å; K496-D608 PolarHBondContact NZ-OD2 2.69Å; H586-D608 PolarHBondContact CE1-O 2.95Å; H586-D608 PolarHBondContact NE2-O 3.41Å; N593-D608 HydrophobicContact CB-CB 4.35Å; N593-D608 WeakPolarHBondContact OD1-CB 3.38Å; D608-G610 PolarHBondContact OD1-N 3.29Å
609	F	94.7	Very high	89.8	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.009	27%	0.269	C	S	.	.			trans	-122	18.3	179.5	-58.6	-68.5	0	0	0	112.1	E512 M516 L519 L524 I525 M579 I606 L611 A612	E512-F609 HydrophobicContact CG-CB 4.33Å; M516-F609 HydrophobicContact CE-CD2 3.9Å; M516-F609 HydrophobicContact CE-CE2 4.1Å; M516-F609 HydrophobicContact CG-CB 4.34Å; M516-F609 HydrophobicContact CG-CD2 3.75Å; M516-F609 HydrophobicContact CG-CE2 4.49Å; M516-F609 HydrophobicContact CG-CG 4.35Å; M516-F609 HydrophobicContact SD-CD2 4.12Å; L519-F609 HydrophobicContact CD1-CD1 4.09Å; L519-F609 HydrophobicContact CD1-CE1 3.95Å; L519-F609 HydrophobicContact CD1-CZ 4.27Å; L524-F609 HydrophobicContact CB-CZ 3.97Å; L524-F609 HydrophobicContact CD2-CE1 4.21Å; L524-F609 HydrophobicContact CD2-CZ 3.95Å; L524-F609 HydrophobicContact CG-CZ 4.35Å; I525-F609 HydrophobicContact CG2-CD2 4.28Å; I525-F609 HydrophobicContact CG2-CE2 3.69Å; M579-F609 HydrophobicContact CE-CD1 3.83Å; M579-F609 HydrophobicContact CE-CE1 3.8Å; M579-F609 HydrophobicContact SD-CD1 4.44Å; M579-F609 HydrophobicContact SD-CE1 3.82Å; I606-F609 HydrophobicContact CG2-CE1 4.23Å; I606-F609 HydrophobicContact CG2-CZ 4.41Å; F609-L611 PolarHBondContact O-N 3.38Å; F609-L611 VanDerWaalsContact O-N 3.13Å; F609-A612 HydrophobicContact CB-CB 3.87Å; F609-A612 HydrophobicContact CD1-CB 4.22Å; F609-A612 VanDerWaalsContact O-CB 3.3Å; F609-A612 WeakPolarHBondContact O-CB 3.36Å; F609-A612 PolarHBondContact O-N 2.83Å
610	G	90.1	Very high	89.4	Confident	25 Å²	25	54.1 Å²	54.1	26%	0.258	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25	-174.6	0	0	0	0	0	115.5	D608	D608-G610 PolarHBondContact OD1-N 3.29Å
611	L	90.6	Very high	88.9	Confident	18 Å²	18	48.8 Å²	48.8	9%	0.094	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-7.9	172.7	-60.8	-168.8	0	0	0	114	F478 L587 D588 F609 R613 V623	F478-L611 HydrophobicContact CE1-CD2 4.23Å; F478-L611 HydrophobicContact CE1-CG 4.49Å; F478-L611 HydrophobicContact CZ-CD2 4.35Å; F478-L611 HydrophobicContact CZ-CG 4.2Å; L587-L611 HydrophobicContact CB-CB 4.25Å; D588-L611 HydrophobicContact CB-CB 4.17Å; D588-L611 HydrophobicContact CB-CD1 3.92Å; D588-L611 HydrophobicContact CB-CG 4.11Å; F609-L611 PolarHBondContact O-N 3.38Å; F609-L611 VanDerWaalsContact O-N 3.13Å; L611-R613 PolarHBondContact O-NE 2.91Å; L611-V623 HydrophobicContact CD1-CG1 4.18Å; L611-V623 HydrophobicContact CD2-CG1 4.35Å; L611-V623 HydrophobicContact CD2-CG2 4.39Å
612	A	94.1	Very high	87.9	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.008	26%	0.261	C	S	.	.			trans	-65	147.5	-174.9	0	0	0	0	0	111	V515 M579 I584 L585 H586 F609	V515-A612 HydrophobicContact CG1-CB 3.88Å; M579-A612 HydrophobicContact CE-CB 4.34Å; I584-A612 HydrophobicContact CG2-CB 4.43Å; L585-A612 WeakPolarHBondContact O-CA 3.36Å; L585-A612 VanDerWaalsContact O-CB 3.29Å; L585-A612 WeakPolarHBondContact O-CB 3.15Å; H586-A612 PolarHBondContact O-N 2.86Å; F609-A612 HydrophobicContact CB-CB 3.87Å; F609-A612 HydrophobicContact CD1-CB 4.22Å; F609-A612 VanDerWaalsContact O-CB 3.3Å; F609-A612 WeakPolarHBondContact O-CB 3.36Å; F609-A612 PolarHBondContact O-N 2.83Å
613	R	93.3	Very high	86.4	Confident	52 Å²	52	54.4 Å²	54.4	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	154.9	-176.1	65.8	-170.5	68.3	-167	1.6	111.8	I584 L585 L587 L611 Y615 E619 L621	I584-R613 CarbonylContact C-O 3.53Å; I584-R613 WeakPolarHBondContact CA-O 3.34Å; L585-R613 PolarHBondContact N-O 3.42Å; L585-R613 PolarHBondContact O-N 2.86Å; L585-R613 VanDerWaalsContact O-N 3.09Å; L587-R613 HydrophobicContact CD1-CG 3.88Å; L611-R613 PolarHBondContact O-NE 2.91Å; R613-Y615 PolarHBondContact O-N 3.5Å; R613-E619 IonicContact NH1-OE1 2.96Å; R613-E619 PolarHBondContact NH1-OE1 2.86Å; R613-L621 VanDerWaalsContact CZ-CD1 3.45Å
614	V	94.3	Very high	84.8	Confident	68 Å²	68	60.6 Å²	60.6	41%	0.412	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	129.1	165.9	-178.6	0	0	0	0	108.7	S583 I584 K616	S583-V614 CarbonylContact O-C 3.55Å; S583-V614 WeakPolarHBondContact O-CA 3.46Å; I584-V614 HydrophobicContact CG1-CG2 4.37Å; V614-K616 PolarHBondContact O-N 3.36Å
615	Y	93.9	Very high	83.4	Confident	76 Å²	76	63.4 Å²	63.4	30%	0.298	30%	0.302	S	S	.	.			trans	-60	125.6	177.8	175.4	-121	0	0	0	110.2	S583 L585 R613 P617 F643	S583-Y615 WeakPolarHBondContact O-CB 3.04Å; S583-Y615 PolarHBondContact O-N 3.33Å; L585-Y615 HydrophobicContact CD1-CD2 3.87Å; L585-Y615 HydrophobicContact CD2-CD2 4.28Å; L585-Y615 HydrophobicContact CG-CD2 4.22Å; R613-Y615 PolarHBondContact O-N 3.5Å; Y615-P617 HydrophobicContact CE1-CG 4.07Å; Y615-F643 AromaticContact CD1-CE2 3.62Å; Y615-F643 HydrophobicContact CD1-CE2 3.62Å; Y615-F643 AromaticContact CD1-CZ 3.55Å; Y615-F643 HydrophobicContact CD1-CZ 3.55Å; Y615-F643 AromaticContact CE1-CE2 3.92Å; Y615-F643 HydrophobicContact CE1-CE2 3.92Å; Y615-F643 HydrophobicContact CE1-CZ 4.32Å; Y615-F643 HydrophobicContact CG-CE1 4.27Å; Y615-F643 HydrophobicContact CG-CE2 4.04Å; Y615-F643 AromaticContact CG-CZ 3.7Å; Y615-F643 HydrophobicContact CG-CZ 3.7Å
616	K	88.6	Confident	81.6	Confident	126 Å²	126	66.6 Å²	66.6	55%	0.548	34%	0.335	S	S	.	.			trans	-127.5	118.3	172.9	-69.9	-179	-174.3	168.7	0	108.4	V614 R618 E619	V614-K616 PolarHBondContact O-N 3.36Å; K616-R618 PolarHBondContact O-N 3.2Å; K616-E619 HydrophobicContact CB-CB 4.15Å; K616-E619 WeakPolarHBondContact CB-OE2 3.49Å; K616-E619 WeakPolarHBondContact CD-OE2 3.45Å; K616-E619 WeakPolarHBondContact O-CB 3.24Å; K616-E619 PolarHBondContact O-N 2.98Å
617	P	85.8	Confident	80.5	Confident	95 Å²	95	68.6 Å²	68.6	62%	0.617	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	137.5	178.1	-26.2	33.9	0	0	0	111.3	Y615 E619	Y615-P617 HydrophobicContact CE1-CG 4.07Å; P617-E619 PolarHBondContact O-N 3.32Å
618	R	80.1	Confident	80	Confident	210 Å²	210	67.2 Å²	67.2	79%	0.792	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	19.7	177.5	-51.2	178.1	179.4	-134.7	-0.6	115	K616 F640	K616-R618 PolarHBondContact O-N 3.2Å; R618-F640 VanDerWaalsContact C-CE1 3.47Å; R618-F640 VanDerWaalsContact CA-CD1 3.46Å; R618-F640 HydrophobicContact CB-CD1 4.28Å; R618-F640 HydrophobicContact CB-CE1 3.95Å; R618-F640 HydrophobicContact CB-CZ 4.09Å; R618-F640 WeakPolarHBondContact O-CD1 3.32Å; R618-F640 WeakPolarHBondContact O-CE1 3.33Å
619	E	73.4	Confident	79.8	Confident	67 Å²	67	68.4 Å²	68.4	31%	0.313	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-80.1	120.1	167.5	-167.7	-179.7	138.3	0	0	109.8	R613 K616 P617	R613-E619 IonicContact NH1-OE1 2.96Å; R613-E619 PolarHBondContact NH1-OE1 2.86Å; K616-E619 HydrophobicContact CB-CB 4.15Å; K616-E619 WeakPolarHBondContact CB-OE2 3.49Å; K616-E619 WeakPolarHBondContact CD-OE2 3.45Å; K616-E619 WeakPolarHBondContact O-CB 3.24Å; K616-E619 PolarHBondContact O-N 2.98Å; P617-E619 PolarHBondContact O-N 3.32Å
620	K	70.3	Confident	79.4	Confident	113 Å²	113	69.3 Å²	69.3	49%	0.491	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-79.8	136.2	172.6	-67.3	-160.5	172.3	-144.5	0	110.3	Y638 F640	K620-Y638 PolarHBondContact NZ-O 3.45Å; K620-Y638 VanDerWaalsContact NZ-O 3.1Å; K620-F640 HydrophobicContact CD-CE1 4.3Å; K620-F640 HydrophobicContact CG-CD1 3.69Å; K620-F640 HydrophobicContact CG-CE1 3.43Å; K620-F640 VanDerWaalsContact CG-CE1 3.43Å; K620-F640 HydrophobicContact CG-CZ 4.43Å
621	L	70.4	Confident	79.5	Confident	14 Å²	14	69.1 Å²	69.1	7%	0.073	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-78.4	125.6	171	-145.1	102.1	0	0	0	109.8	L587 R613 V623 F625 V641	L587-L621 HydrophobicContact CD1-CD1 3.58Å; L587-L621 HydrophobicContact CG-CD1 4.5Å; R613-L621 VanDerWaalsContact CZ-CD1 3.45Å; L621-V623 HydrophobicContact CD2-CB 3.7Å; L621-V623 HydrophobicContact CD2-CG2 3.35Å; L621-V623 HydrophobicContact CG-CG2 3.81Å; L621-F625 HydrophobicContact CD2-CE1 3.88Å; L621-F625 HydrophobicContact CD2-CZ 3.46Å; L621-F625 VanDerWaalsContact CD2-CZ 3.46Å; L621-V641 HydrophobicContact CB-CG1 4.24Å; L621-V641 HydrophobicContact CD1-CG1 4.43Å; L621-V641 HydrophobicContact CD1-CG2 4.09Å
622	K	62.5	Low	79.6	Confident	195 Å²	195	68.4 Å²	68.4	85%	0.848	34%	0.339	S	S	*	.			trans	-109.7	86.2	169.2	-68.7	-174.2	-179.4	-178.6	0	108.4
623	V	59.7	Low	79.7	Confident	14 Å²	14	68.5 Å²	68.5	9%	0.085	34%	0.34	C	S	.	.			trans	-135.8	136.5	178.9	-177.3	0	0	0	0	109.4	L611 L621 F625	L611-V623 HydrophobicContact CD1-CG1 4.18Å; L611-V623 HydrophobicContact CD2-CG1 4.35Å; L611-V623 HydrophobicContact CD2-CG2 4.39Å; L621-V623 HydrophobicContact CD2-CB 3.7Å; L621-V623 HydrophobicContact CD2-CG2 3.35Å; L621-V623 HydrophobicContact CG-CG2 3.81Å; V623-F625 HydrophobicContact CB-CD1 4.49Å; V623-F625 HydrophobicContact CB-CE1 3.9Å; V623-F625 HydrophobicContact CB-CE2 4.36Å; V623-F625 HydrophobicContact CB-CZ 3.82Å; V623-F625 HydrophobicContact CG1-CD1 4.13Å; V623-F625 HydrophobicContact CG1-CE1 3.92Å; V623-F625 HydrophobicContact CG1-CZ 4.33Å; V623-F625 WeakPolarHBondContact O-CD2 3.26Å; V623-F625 VanDerWaalsContact O-CE2 3.25Å; V623-F625 WeakPolarHBondContact O-CE2 3.4Å
624	N	59.7	Low	79.7	Confident	137 Å²	137	66.4 Å²	66.4	73%	0.733	33%	0.332	S	S	*	.			trans	-81.6	118.9	165.5	-64.2	28.7	0	0	0	106.7	R477	R477-N624 PolarHBondContact NH1-O 3.5Å
625	F	65.9	Low	79.5	Confident	60 Å²	60	63.8 Å²	63.8	26%	0.263	32%	0.317	S	S	.	.			trans	-90.2	141.4	179.8	-58.3	-75.1	0	0	0	110.3	L621 V623 L631 V635	L621-F625 HydrophobicContact CD2-CE1 3.88Å; L621-F625 HydrophobicContact CD2-CZ 3.46Å; L621-F625 VanDerWaalsContact CD2-CZ 3.46Å; V623-F625 HydrophobicContact CB-CD1 4.49Å; V623-F625 HydrophobicContact CB-CE1 3.9Å; V623-F625 HydrophobicContact CB-CE2 4.36Å; V623-F625 HydrophobicContact CB-CZ 3.82Å; V623-F625 HydrophobicContact CG1-CD1 4.13Å; V623-F625 HydrophobicContact CG1-CE1 3.92Å; V623-F625 HydrophobicContact CG1-CZ 4.33Å; V623-F625 WeakPolarHBondContact O-CD2 3.26Å; V623-F625 VanDerWaalsContact O-CE2 3.25Å; V623-F625 WeakPolarHBondContact O-CE2 3.4Å; F625-L631 HydrophobicContact CB-CD1 3.54Å; F625-L631 HydrophobicContact CB-CD2 3.7Å; F625-L631 HydrophobicContact CB-CG 4.15Å; F625-L631 HydrophobicContact CD1-CD2 3.3Å; F625-L631 HydrophobicContact CD2-CD1 3.76Å; F625-L631 HydrophobicContact CD2-CD2 3.92Å; F625-L631 HydrophobicContact CE1-CD2 3.85Å; F625-L631 HydrophobicContact CE2-CD2 4.41Å; F625-L631 HydrophobicContact CG-CD1 3.69Å; F625-L631 HydrophobicContact CG-CD2 3.33Å; F625-L631 HydrophobicContact CG-CG 4.15Å; F625-L631 HydrophobicContact CZ-CD2 4.36Å; F625-V635 HydrophobicContact CD2-CG1 3.93Å; F625-V635 HydrophobicContact CE1-CG1 3.8Å; F625-V635 HydrophobicContact CE2-CG1 3.11Å; F625-V635 HydrophobicContact CZ-CB 4.5Å; F625-V635 HydrophobicContact CZ-CG1 3.02Å
626	G	61	Low	79.4	Confident	68 Å²	68	61.3 Å²	61.3	70%	0.701	31%	0.309	S	S	*	.	S	Bend	trans	-94.9	-22	-178	0	0	0	0	0	114
627	T	74.7	Confident	79.5	Confident	42 Å²	42	59.2 Å²	59.2	26%	0.258	30%	0.304	S	S	.	.			trans	-137.4	92.3	-169.4	-48.3	0	0	0	0	107.7	E629 F630	T627-E629 VanDerWaalsContact C-N 3.28Å; T627-E629 HydrophobicContact CG2-CG 4.17Å; T627-E629 WeakPolarHBondContact CG2-OE1 3.33Å; T627-E629 WeakPolarHBondContact CG2-OE2 3.23Å; T627-E629 PolarHBondContact O-N 2.68Å; T627-F630 HydrophobicContact CG2-CD2 3.63Å; T627-F630 HydrophobicContact CG2-CE2 3.69Å
628	P	84.6	Confident	79.6	Confident	12 Å²	12	61.9 Å²	61.9	8%	0.078	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-67	-26.3	-167	25.9	-33.7	0	0	0	113.6	F630 L631 D669 T672 L673 I676	P628-F630 PolarHBondContact O-N 3.22Å; P628-F630 VanDerWaalsContact O-N 3.13Å; P628-L631 HydrophobicContact CB-CD1 4.43Å; P628-L631 WeakPolarHBondContact O-CB 3.47Å; P628-L631 WeakPolarHBondContact O-CG 2.92Å; P628-L631 PolarHBondContact O-N 2.96Å; P628-D669 HydrophobicContact CG-CB 4.2Å; P628-T672 HydrophobicContact CB-CG2 4.24Å; P628-T672 HydrophobicContact CG-CG2 4.14Å; P628-L673 HydrophobicContact CB-CD2 3.71Å; P628-L673 HydrophobicContact CB-CG 4.03Å; P628-I676 WeakPolarHBondContact O-CD1 3.45Å
629	E	87.8	Confident	80	Confident	41 Å²	41	55.4 Å²	55.4	19%	0.192	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-66.4	-17	-171.4	65.9	-93.6	-156.2	0	0	115.1	T627 C662 T672	T627-E629 VanDerWaalsContact C-N 3.28Å; T627-E629 HydrophobicContact CG2-CG 4.17Å; T627-E629 WeakPolarHBondContact CG2-OE1 3.33Å; T627-E629 WeakPolarHBondContact CG2-OE2 3.23Å; T627-E629 PolarHBondContact O-N 2.68Å; E629-C662 VanDerWaalsContact CB-SG 3.51Å; E629-T672 HydrophobicContact CB-CG2 3.9Å
630	F	86.8	Confident	80.9	Confident	22 Å²	22	56 Å²	56	10%	0.096	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-98.3	-1.9	176.5	-59.1	-75.1	0	0	0	113.6	K590 P591 T627 P628 S649 V652 M656	K590-F630 HydrophobicContact CB-CD1 4.23Å; K590-F630 HydrophobicContact CB-CD2 4.1Å; K590-F630 HydrophobicContact CB-CE2 4.41Å; K590-F630 HydrophobicContact CB-CG 4.03Å; P591-F630 HydrophobicContact CG-CE1 3.84Å; P591-F630 HydrophobicContact CG-CZ 3.72Å; T627-F630 HydrophobicContact CG2-CD2 3.63Å; T627-F630 HydrophobicContact CG2-CE2 3.69Å; P628-F630 PolarHBondContact O-N 3.22Å; P628-F630 VanDerWaalsContact O-N 3.13Å; F630-S649 PolarHBondContact O-OG 2.93Å; F630-V652 HydrophobicContact CD1-CB 4.48Å; F630-V652 HydrophobicContact CD1-CG1 3.67Å; F630-V652 HydrophobicContact CE1-CG1 3.83Å; F630-M656 HydrophobicContact CE1-CE 4.42Å; F630-M656 HydrophobicContact CE1-SD 3.49Å; F630-M656 WeakPolarHBondContact CE1-SD 3.37Å; F630-M656 HydrophobicContact CZ-CE 4.17Å; F630-M656 HydrophobicContact CZ-SD 3.79Å
631	L	91.7	Very high	81.9	Confident	21 Å²	21	51.1 Å²	51.1	11%	0.11	27%	0.266	C	S	.	.			trans	-77.1	133.6	-177.1	-58.2	179.2	0	0	0	111.1	F625 P628 V635 V636 W648 L673 I676	F625-L631 HydrophobicContact CB-CD1 3.54Å; F625-L631 HydrophobicContact CB-CD2 3.7Å; F625-L631 HydrophobicContact CB-CG 4.15Å; F625-L631 HydrophobicContact CD1-CD2 3.3Å; F625-L631 HydrophobicContact CD2-CD1 3.76Å; F625-L631 HydrophobicContact CD2-CD2 3.92Å; F625-L631 HydrophobicContact CE1-CD2 3.85Å; F625-L631 HydrophobicContact CE2-CD2 4.41Å; F625-L631 HydrophobicContact CG-CD1 3.69Å; F625-L631 HydrophobicContact CG-CD2 3.33Å; F625-L631 HydrophobicContact CG-CG 4.15Å; F625-L631 HydrophobicContact CZ-CD2 4.36Å; P628-L631 HydrophobicContact CB-CD1 4.43Å; P628-L631 WeakPolarHBondContact O-CB 3.47Å; P628-L631 WeakPolarHBondContact O-CG 2.92Å; P628-L631 PolarHBondContact O-N 2.96Å; L631-V635 HydrophobicContact CD2-CG1 4.04Å; L631-V636 HydrophobicContact CB-CG2 3.83Å; L631-V636 HydrophobicContact CD1-CG2 4.25Å; L631-W648 PolarHBondContact O-NE1 2.95Å; L631-W648 VanDerWaalsContact O-NE1 3.11Å; L631-L673 HydrophobicContact CD1-CD2 4.38Å; L631-I676 WeakPolarHBondContact O-CG2 3.36Å
632	A	93.9	Very high	83.1	Confident	2 Å²	2	51.1 Å²	51.1	2%	0.017	27%	0.267	C	S	.	.			trans	-71.5	151.7	170.1	0	0	0	0	0	110.9	E634 V635 V636 T645 W648	A632-E634 VanDerWaalsContact C-N 3.26Å; A632-E634 VanDerWaalsContact CB-CD 3.49Å; A632-E634 HydrophobicContact CB-CG 4.36Å; A632-E634 WeakPolarHBondContact CB-OE2 3.47Å; A632-E634 PolarHBondContact O-N 3.48Å; A632-V635 HydrophobicContact CB-CG2 4.2Å; A632-V635 WeakPolarHBondContact O-CA 3.4Å; A632-V635 VanDerWaalsContact O-CB 3.28Å; A632-V635 WeakPolarHBondContact O-CB 3.48Å; A632-V635 PolarHBondContact O-N 3.25Å; A632-V636 PolarHBondContact O-N 3.04Å; A632-V636 VanDerWaalsContact O-N 3.16Å; A632-T645 HydrophobicContact CB-CG2 3.92Å; A632-W648 HydrophobicContact CB-CB 3.86Å; A632-W648 HydrophobicContact CB-CD2 4.28Å; A632-W648 HydrophobicContact CB-CG 3.71Å
633	P	94.7	Very high	84.7	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-53.9	-39.6	179.8	-26.6	32.5	0	0	0	113.7	V635 V636 N637 W648 I676 M705	P633-V635 PolarHBondContact O-N 3.32Å; P633-V636 PolarHBondContact O-N 3.12Å; P633-N637 WeakPolarHBondContact O-CB 3.39Å; P633-N637 PolarHBondContact O-N 3.42Å; P633-N637 PolarHBondContact O-ND2 3.11Å; P633-W648 HydrophobicContact CG-CE3 4.25Å; P633-W648 HydrophobicContact CG-CH2 3.56Å; P633-W648 HydrophobicContact CG-CZ2 3.98Å; P633-W648 HydrophobicContact CG-CZ3 3.72Å; P633-I676 HydrophobicContact CB-CG2 4.31Å; P633-I676 HydrophobicContact CG-CG2 3.93Å; P633-M705 HydrophobicContact CB-CE 4.15Å; P633-M705 HydrophobicContact CB-SD 3.81Å; P633-M705 HydrophobicContact CG-SD 3.56Å; P633-M705 VanDerWaalsContact CG-SD 3.56Å
634	E	93.4	Very high	86.4	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-27.4	177	65.6	-89.4	-152	0	0	113.1	A632 Y638 D639 T645 K707 R710	A632-E634 VanDerWaalsContact C-N 3.26Å; A632-E634 VanDerWaalsContact CB-CD 3.49Å; A632-E634 HydrophobicContact CB-CG 4.36Å; A632-E634 WeakPolarHBondContact CB-OE2 3.47Å; A632-E634 PolarHBondContact O-N 3.48Å; E634-Y638 PolarHBondContact O-N 3.27Å; E634-D639 HydrophobicContact CB-CB 3.95Å; E634-D639 WeakPolarHBondContact O-CA 3.36Å; E634-D639 WeakPolarHBondContact O-CB 3.48Å; E634-D639 PolarHBondContact O-N 3.01Å; E634-T645 WeakPolarHBondContact OE1-CA 3.42Å; E634-T645 WeakPolarHBondContact OE1-CB 3.26Å; E634-T645 PolarHBondContact OE1-OG1 2.85Å; E634-K707 HydrophobicContact CB-CD 4.49Å; E634-K707 HydrophobicContact CG-CD 4.26Å; E634-R710 IonicContact OE1-CZ 3.59Å; E634-R710 IonicContact OE1-NH1 2.82Å; E634-R710 PolarHBondContact OE1-NH1 2.93Å; E634-R710 IonicContact OE1-NH2 3.4Å; E634-R710 IonicContact OE2-CZ 3.31Å; E634-R710 IonicContact OE2-NH1 2.77Å; E634-R710 PolarHBondContact OE2-NH1 2.91Å; E634-R710 IonicContact OE2-NH2 2.84Å; E634-R710 PolarHBondContact OE2-NH2 2.82Å
635	V	91.7	Very high	88.2	Confident	13 Å²	13	39 Å²	39	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-75	-43.3	177.1	176.2	0	0	0	0	109.9	F625 L631 A632 P633 N637 Y638 V641 T645	F625-V635 HydrophobicContact CD2-CG1 3.93Å; F625-V635 HydrophobicContact CE1-CG1 3.8Å; F625-V635 HydrophobicContact CE2-CG1 3.11Å; F625-V635 HydrophobicContact CZ-CB 4.5Å; F625-V635 HydrophobicContact CZ-CG1 3.02Å; L631-V635 HydrophobicContact CD2-CG1 4.04Å; A632-V635 HydrophobicContact CB-CG2 4.2Å; A632-V635 WeakPolarHBondContact O-CA 3.4Å; A632-V635 VanDerWaalsContact O-CB 3.28Å; A632-V635 WeakPolarHBondContact O-CB 3.48Å; A632-V635 PolarHBondContact O-N 3.25Å; P633-V635 PolarHBondContact O-N 3.32Å; V635-N637 VanDerWaalsContact C-N 3.31Å; V635-N637 PolarHBondContact O-N 2.89Å; V635-Y638 PolarHBondContact O-N 2.83Å; V635-V641 HydrophobicContact CG2-CG1 3.88Å; V635-T645 HydrophobicContact CG2-CG2 3.69Å
636	V	90.4	Very high	89.7	Confident	24 Å²	24	36.1 Å²	36.1	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-39.3	174.6	-178	0	0	0	0	111.2	L631 A632 P633 Y638 L673 I676 L677	L631-V636 HydrophobicContact CB-CG2 3.83Å; L631-V636 HydrophobicContact CD1-CG2 4.25Å; A632-V636 PolarHBondContact O-N 3.04Å; A632-V636 VanDerWaalsContact O-N 3.16Å; P633-V636 PolarHBondContact O-N 3.12Å; V636-Y638 VanDerWaalsContact C-N 3.25Å; V636-Y638 WeakPolarHBondContact O-CD2 3.27Å; V636-Y638 PolarHBondContact O-N 3.42Å; V636-L673 HydrophobicContact CB-CD2 4.46Å; V636-L673 HydrophobicContact CG1-CD2 3.86Å; V636-L673 HydrophobicContact CG2-CD2 3.71Å; V636-I676 HydrophobicContact CG2-CG2 4.05Å; V636-L677 HydrophobicContact CB-CD2 3.95Å; V636-L677 HydrophobicContact CB-CG 4.42Å; V636-L677 HydrophobicContact CG1-CD1 3.84Å; V636-L677 HydrophobicContact CG1-CD2 3.74Å; V636-L677 HydrophobicContact CG1-CG 3.8Å
637	N	90.4	Very high	91.5	Very high	83 Å²	83	32.9 Å²	32.9	44%	0.444	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.2	177.7	-77	-28.6	0	0	0	114.8	P633 V635 D639 L677	P633-N637 WeakPolarHBondContact O-CB 3.39Å; P633-N637 PolarHBondContact O-N 3.42Å; P633-N637 PolarHBondContact O-ND2 3.11Å; V635-N637 VanDerWaalsContact C-N 3.31Å; V635-N637 PolarHBondContact O-N 2.89Å; N637-D639 PolarHBondContact O-N 3.4Å; N637-L677 WeakPolarHBondContact OD1-CD2 3.28Å
638	Y	88.1	Confident	92.6	Very high	151 Å²	151	30.9 Å²	30.9	59%	0.592	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	34.5	-174.2	-60.7	-93.5	0	0	0	113.6	K620 E634 V635 V636	K620-Y638 PolarHBondContact NZ-O 3.45Å; K620-Y638 VanDerWaalsContact NZ-O 3.1Å; E634-Y638 PolarHBondContact O-N 3.27Å; V635-Y638 PolarHBondContact O-N 2.83Å; V636-Y638 VanDerWaalsContact C-N 3.25Å; V636-Y638 WeakPolarHBondContact O-CD2 3.27Å; V636-Y638 PolarHBondContact O-N 3.42Å
639	D	89.7	Confident	93.2	Very high	74 Å²	74	30.8 Å²	30.8	40%	0.396	15%	0.15	S	C	.	.			trans	-87	175.7	173.5	-77.7	-30.1	0	0	0	111.7	E634 N637	E634-D639 HydrophobicContact CB-CB 3.95Å; E634-D639 WeakPolarHBondContact O-CA 3.36Å; E634-D639 WeakPolarHBondContact O-CB 3.48Å; E634-D639 PolarHBondContact O-N 3.01Å; N637-D639 PolarHBondContact O-N 3.4Å
640	F	90.9	Very high	93.7	Very high	78 Å²	78	28.8 Å²	28.8	34%	0.342	14%	0.141	S	C	.	.	B	Isolated β-bridge	trans	-71.9	131.4	179.1	-54.1	-61.7	0	0	0	111.5	R618 K620 K707	R618-F640 VanDerWaalsContact C-CE1 3.47Å; R618-F640 VanDerWaalsContact CA-CD1 3.46Å; R618-F640 HydrophobicContact CB-CD1 4.28Å; R618-F640 HydrophobicContact CB-CE1 3.95Å; R618-F640 HydrophobicContact CB-CZ 4.09Å; R618-F640 WeakPolarHBondContact O-CD1 3.32Å; R618-F640 WeakPolarHBondContact O-CE1 3.33Å; K620-F640 HydrophobicContact CD-CE1 4.3Å; K620-F640 HydrophobicContact CG-CD1 3.69Å; K620-F640 HydrophobicContact CG-CE1 3.43Å; K620-F640 VanDerWaalsContact CG-CE1 3.43Å; K620-F640 HydrophobicContact CG-CZ 4.43Å; F640-K707 PolarHBondContact O-NZ 3.12Å
641	V	92.9	Very high	94.2	Very high	12 Å²	12	27.8 Å²	27.8	7%	0.073	14%	0.136	C	C	.	.			trans	-82.4	158.2	174.5	-62.3	0	0	0	0	111.4	L585 L587 L621 V635 T645	L585-V641 HydrophobicContact CD1-CB 4.44Å; L585-V641 HydrophobicContact CD1-CG2 3.86Å; L587-V641 HydrophobicContact CD1-CG2 4.45Å; L587-V641 HydrophobicContact CD2-CB 3.84Å; L587-V641 HydrophobicContact CD2-CG1 4.13Å; L587-V641 HydrophobicContact CD2-CG2 3.93Å; L621-V641 HydrophobicContact CB-CG1 4.24Å; L621-V641 HydrophobicContact CD1-CG1 4.43Å; L621-V641 HydrophobicContact CD1-CG2 4.09Å; V635-V641 HydrophobicContact CG2-CG1 3.88Å; V641-T645 HydrophobicContact CB-CG2 4.39Å; V641-T645 HydrophobicContact CG1-CG2 4.22Å
642	S	94.1	Very high	94.5	Very high	14 Å²	14	26.8 Å²	26.8	10%	0.098	13%	0.131	C	C	.	.			trans	-153.3	179.9	-179.1	62.9	0	0	0	0	110.8	L585 N644 T645	L585-S642 VanDerWaalsContact CD2-C 3.47Å; S642-N644 PolarHBondContact O-N 2.86Å; S642-T645 PolarHBondContact N-OG1 2.8Å; S642-T645 WeakPolarHBondContact O-CB 3.42Å; S642-T645 PolarHBondContact O-N 2.7Å; S642-T645 PolarHBondContact O-OG1 3.36Å
643	F	96.3	Very high	94.6	Very high	50 Å²	50	26.7 Å²	26.7	22%	0.219	13%	0.13	C	C	.	.	H	α-helix	trans	-54	-38	174.4	-55.7	-67.3	0	0	0	112.3	H580 L585 Y615 T645 D646	H580-F643 HydrophobicContact CB-CD1 3.89Å; H580-F643 HydrophobicContact CB-CE1 4.38Å; H580-F643 AromaticContact CD2-CD1 3.68Å; H580-F643 PolarHBondContact CE1-O 3.3Å; H580-F643 VanDerWaalsContact CE1-O 3.3Å; H580-F643 AromaticContact CG-CD1 3.7Å; L585-F643 HydrophobicContact CD2-CB 4.3Å; L585-F643 HydrophobicContact CD2-CD1 3.28Å; L585-F643 HydrophobicContact CD2-CE1 3.68Å; L585-F643 HydrophobicContact CD2-CG 3.9Å; Y615-F643 AromaticContact CD1-CE2 3.62Å; Y615-F643 HydrophobicContact CD1-CE2 3.62Å; Y615-F643 AromaticContact CD1-CZ 3.55Å; Y615-F643 HydrophobicContact CD1-CZ 3.55Å; Y615-F643 AromaticContact CE1-CE2 3.92Å; Y615-F643 HydrophobicContact CE1-CE2 3.92Å; Y615-F643 HydrophobicContact CE1-CZ 4.32Å; Y615-F643 HydrophobicContact CG-CE1 4.27Å; Y615-F643 HydrophobicContact CG-CE2 4.04Å; Y615-F643 AromaticContact CG-CZ 3.7Å; Y615-F643 HydrophobicContact CG-CZ 3.7Å; F643-T645 PolarHBondContact O-N 2.92Å; F643-T645 VanDerWaalsContact O-N 3.16Å; F643-D646 PolarHBondContact O-N 3.19Å; F643-D646 VanDerWaalsContact O-N 3.14Å
644	N	96.8	Very high	94.7	Very high	36 Å²	36	26.5 Å²	26.5	19%	0.193	13%	0.129	C	C	.	.	H	α-helix	trans	-67.7	-12.1	178.1	-57.9	76.4	0	0	0	113.7	S642 M647 W648 K707 R710	S642-N644 PolarHBondContact O-N 2.86Å; N644-M647 PolarHBondContact O-N 3.11Å; N644-W648 PolarHBondContact O-N 3.27Å; N644-K707 HydrophobicContact CB-CB 4.09Å; N644-K707 WeakPolarHBondContact CB-O 3.4Å; N644-K707 PolarHBondContact ND2-O 3.4Å; N644-K707 VanDerWaalsContact ND2-O 3.13Å; N644-R710 HydrophobicContact CB-CB 4.35Å; N644-R710 PolarHBondContact ND2-O 3.45Å; N644-R710 WeakPolarHBondContact O-CD 3.49Å; N644-R710 PolarHBondContact O-NH1 3.35Å
645	T	96.3	Very high	94.8	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-69.1	-41.6	171.6	-55.5	0	0	0	0	110.3	L587 A632 E634 V635 V641 S642 F643 M647 W648	L587-T645 HydrophobicContact CD2-CG2 4.17Å; A632-T645 HydrophobicContact CB-CG2 3.92Å; E634-T645 WeakPolarHBondContact OE1-CA 3.42Å; E634-T645 WeakPolarHBondContact OE1-CB 3.26Å; E634-T645 PolarHBondContact OE1-OG1 2.85Å; V635-T645 HydrophobicContact CG2-CG2 3.69Å; V641-T645 HydrophobicContact CB-CG2 4.39Å; V641-T645 HydrophobicContact CG1-CG2 4.22Å; S642-T645 PolarHBondContact N-OG1 2.8Å; S642-T645 WeakPolarHBondContact O-CB 3.42Å; S642-T645 PolarHBondContact O-N 2.7Å; S642-T645 PolarHBondContact O-OG1 3.36Å; F643-T645 PolarHBondContact O-N 2.92Å; F643-T645 VanDerWaalsContact O-N 3.16Å; T645-M647 VanDerWaalsContact C-N 3.25Å; T645-M647 PolarHBondContact O-N 3.33Å; T645-W648 WeakPolarHBondContact O-CB 3.34Å; T645-W648 PolarHBondContact O-N 2.97Å
646	D	97.4	Very high	94.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66	-32.1	174.4	-61.9	-29.7	0	0	0	111.6	L576 H580 H586 L587 F643 W648 S649 L650	L576-D646 HydrophobicContact CD2-CB 4.08Å; H580-D646 IonicContact CD2-OD2 2.7Å; H580-D646 IonicContact CE1-OD2 2.83Å; H580-D646 IonicContact NE2-OD2 3.26Å; H580-D646 PolarHBondContact NE2-OD2 3.04Å; H586-D646 PolarHBondContact N-OD1 3.48Å; H586-D646 PolarHBondContact N-OD2 2.9Å; L587-D646 PolarHBondContact N-OD1 2.87Å; F643-D646 PolarHBondContact O-N 3.19Å; F643-D646 VanDerWaalsContact O-N 3.14Å; D646-W648 VanDerWaalsContact C-N 3.29Å; D646-W648 PolarHBondContact O-N 3.42Å; D646-S649 WeakPolarHBondContact O-CB 3.48Å; D646-S649 PolarHBondContact O-N 3.1Å; D646-L650 PolarHBondContact O-N 3.38Å
647	M	98.5	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.6	-27.1	179.6	-57.2	-52.3	-57.4	0	0	112.8	L576 N644 T645 L650 G651 L702 M711 A713 A716	L576-M647 HydrophobicContact CD1-SD 4.33Å; N644-M647 PolarHBondContact O-N 3.11Å; T645-M647 VanDerWaalsContact C-N 3.25Å; T645-M647 PolarHBondContact O-N 3.33Å; M647-L650 HydrophobicContact CE-CD2 3.52Å; M647-L650 PolarHBondContact O-N 2.87Å; M647-G651 PolarHBondContact O-N 3.01Å; M647-G651 VanDerWaalsContact O-N 3.13Å; M647-L702 HydrophobicContact CB-CD2 4.01Å; M647-L702 HydrophobicContact CE-CD2 3.82Å; M647-M711 WeakPolarHBondContact CG-O 3.42Å; M647-A713 HydrophobicContact CE-CB 4.3Å; M647-A713 HydrophobicContact SD-CB 3.92Å; M647-A716 HydrophobicContact CE-CB 3.98Å
648	W	98.1	Very high	95	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.1	-49.9	169	174.1	-87	0	0	0	111	L631 A632 P633 N644 T645 D646 L650 G651 V652 F664 I676 L703	L631-W648 PolarHBondContact O-NE1 2.95Å; L631-W648 VanDerWaalsContact O-NE1 3.11Å; A632-W648 HydrophobicContact CB-CB 3.86Å; A632-W648 HydrophobicContact CB-CD2 4.28Å; A632-W648 HydrophobicContact CB-CG 3.71Å; P633-W648 HydrophobicContact CG-CE3 4.25Å; P633-W648 HydrophobicContact CG-CH2 3.56Å; P633-W648 HydrophobicContact CG-CZ2 3.98Å; P633-W648 HydrophobicContact CG-CZ3 3.72Å; N644-W648 PolarHBondContact O-N 3.27Å; T645-W648 WeakPolarHBondContact O-CB 3.34Å; T645-W648 PolarHBondContact O-N 2.97Å; D646-W648 VanDerWaalsContact C-N 3.29Å; D646-W648 PolarHBondContact O-N 3.42Å; W648-L650 VanDerWaalsContact C-N 3.25Å; W648-L650 PolarHBondContact O-N 3.29Å; W648-G651 WeakPolarHBondContact O-CA 3.22Å; W648-G651 PolarHBondContact O-N 3.5Å; W648-V652 PolarHBondContact O-N 3.42Å; W648-F664 AromaticContact CE2-CE2 3.87Å; W648-F664 AromaticContact CH2-CE1 3.98Å; W648-F664 HydrophobicContact CH2-CE1 3.98Å; W648-F664 AromaticContact CH2-CE2 3.78Å; W648-F664 HydrophobicContact CH2-CE2 3.78Å; W648-F664 AromaticContact CH2-CZ 3.31Å; W648-F664 HydrophobicContact CH2-CZ 3.31Å; W648-F664 AromaticContact CZ2-CD2 3.94Å; W648-F664 HydrophobicContact CZ2-CD2 3.94Å; W648-F664 HydrophobicContact CZ2-CE1 4.03Å; W648-F664 AromaticContact CZ2-CE2 3.2Å; W648-F664 HydrophobicContact CZ2-CE2 3.2Å; W648-F664 AromaticContact CZ2-CZ 3.26Å; W648-F664 HydrophobicContact CZ2-CZ 3.26Å; W648-F664 HydrophobicContact CZ3-CZ 4.35Å; W648-I676 HydrophobicContact CZ2-CG2 4.12Å; W648-L703 HydrophobicContact CD2-CD2 4.03Å; W648-L703 HydrophobicContact CE3-CD2 4.1Å; W648-L703 HydrophobicContact CZ3-CB 4.48Å; W648-L703 HydrophobicContact CZ3-CD2 4.41Å
649	S	97	Very high	95.1	Very high	9 Å²	9	16.7 Å²	16.7	6%	0.063	9%	0.086	C	C	.	.	H	α-helix	trans	-60.1	-36.2	178	-55.7	0	0	0	0	112	L589 F630 D646 G651 V652 I653	L589-S649 WeakPolarHBondContact O-CB 3.38Å; F630-S649 PolarHBondContact O-OG 2.93Å; D646-S649 WeakPolarHBondContact O-CB 3.48Å; D646-S649 PolarHBondContact O-N 3.1Å; S649-G651 VanDerWaalsContact C-N 3.33Å; S649-G651 PolarHBondContact O-N 2.99Å; S649-V652 PolarHBondContact O-N 3.45Å; S649-I653 WeakPolarHBondContact O-CD1 3.39Å; S649-I653 VanDerWaalsContact O-CG1 3.29Å; S649-I653 WeakPolarHBondContact O-CG1 3.45Å; S649-I653 PolarHBondContact O-N 3.38Å
650	L	98.1	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.2	-42.1	171.1	-173	69.3	0	0	0	112.1	I569 I572 C573 L576 D646 M647 W648 I653 T654 F698 L702	I569-L650 HydrophobicContact CD1-CD1 4.26Å; I569-L650 HydrophobicContact CG2-CD1 4.13Å; I572-L650 HydrophobicContact CB-CD1 4.11Å; I572-L650 HydrophobicContact CG2-CD1 3.6Å; C573-L650 HydrophobicContact CB-CD2 4.34Å; L576-L650 HydrophobicContact CD1-CB 4.33Å; L576-L650 HydrophobicContact CD1-CD1 4.34Å; L576-L650 HydrophobicContact CD1-CD2 4.47Å; D646-L650 PolarHBondContact O-N 3.38Å; M647-L650 HydrophobicContact CE-CD2 3.52Å; M647-L650 PolarHBondContact O-N 2.87Å; W648-L650 VanDerWaalsContact C-N 3.25Å; W648-L650 PolarHBondContact O-N 3.29Å; L650-I653 PolarHBondContact O-N 3.04Å; L650-T654 WeakPolarHBondContact O-CB 3.45Å; L650-T654 PolarHBondContact O-N 2.86Å; L650-T654 PolarHBondContact O-OG1 3.16Å; L650-F698 HydrophobicContact CD2-CZ 4.31Å; L650-L702 HydrophobicContact CB-CD1 4.46Å; L650-L702 HydrophobicContact CD2-CD1 4.16Å; L650-L702 HydrophobicContact CG-CD1 4.25Å
651	G	98.3	Very high	94.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62	-44.7	175.4	0	0	0	0	0	112.4	M647 W648 S649 T654 Y655	M647-G651 PolarHBondContact O-N 3.01Å; M647-G651 VanDerWaalsContact O-N 3.13Å; W648-G651 WeakPolarHBondContact O-CA 3.22Å; W648-G651 PolarHBondContact O-N 3.5Å; S649-G651 VanDerWaalsContact C-N 3.33Å; S649-G651 PolarHBondContact O-N 2.99Å; G651-T654 PolarHBondContact O-N 3.29Å; G651-Y655 PolarHBondContact O-N 3.35Å
652	V	97.2	Very high	94.9	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-48.5	176.3	176.2	0	0	0	0	110.8	F630 W648 S649 T654 Y655 M656 P663 F664 L703	F630-V652 HydrophobicContact CD1-CB 4.48Å; F630-V652 HydrophobicContact CD1-CG1 3.67Å; F630-V652 HydrophobicContact CE1-CG1 3.83Å; W648-V652 PolarHBondContact O-N 3.42Å; S649-V652 PolarHBondContact O-N 3.45Å; V652-T654 VanDerWaalsContact C-N 3.31Å; V652-T654 PolarHBondContact O-N 3.34Å; V652-Y655 WeakPolarHBondContact O-CB 3.47Å; V652-Y655 PolarHBondContact O-N 2.99Å; V652-M656 HydrophobicContact CG1-SD 4.13Å; V652-M656 WeakPolarHBondContact O-CG 3.38Å; V652-M656 PolarHBondContact O-N 2.94Å; V652-P663 HydrophobicContact CB-CG 4.43Å; V652-P663 HydrophobicContact CG1-CG 4.07Å; V652-P663 HydrophobicContact CG2-CG 4.28Å; V652-F664 HydrophobicContact CG2-CD2 4.31Å; V652-F664 HydrophobicContact CG2-CE2 4.05Å; V652-L703 HydrophobicContact CG2-CD2 3.88Å
653	I	96.2	Very high	94.9	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-40.6	177.7	-68.2	163.1	0	0	0	110.7	F550 I569 I572 L589 I594 S649 L650 M656 L657	F550-I653 HydrophobicContact CE2-CG2 4.46Å; F550-I653 HydrophobicContact CZ-CG2 4.41Å; I569-I653 HydrophobicContact CD1-CG2 4.01Å; I572-I653 HydrophobicContact CD1-CG2 4.21Å; L589-I653 HydrophobicContact CD2-CD1 3.91Å; L589-I653 HydrophobicContact CG-CD1 3.72Å; I594-I653 HydrophobicContact CD1-CD1 3.94Å; S649-I653 WeakPolarHBondContact O-CD1 3.39Å; S649-I653 VanDerWaalsContact O-CG1 3.29Å; S649-I653 WeakPolarHBondContact O-CG1 3.45Å; S649-I653 PolarHBondContact O-N 3.38Å; L650-I653 PolarHBondContact O-N 3.04Å; I653-M656 PolarHBondContact O-N 3.47Å; I653-L657 HydrophobicContact CG2-CD1 4.12Å; I653-L657 HydrophobicContact CG2-CG 4.25Å; I653-L657 VanDerWaalsContact O-CG 3.29Å; I653-L657 WeakPolarHBondContact O-CG 3.47Å; I653-L657 PolarHBondContact O-N 2.77Å
654	T	97.4	Very high	94.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.2	-43.6	178.2	-54.9	0	0	0	0	111.6	I569 L650 G651 V652 L657 L658 F698 I699 W721	I569-T654 VanDerWaalsContact CD1-OG1 3.25Å; I569-T654 WeakPolarHBondContact CD1-OG1 3.3Å; I569-T654 HydrophobicContact CG1-CG2 4.2Å; L650-T654 WeakPolarHBondContact O-CB 3.45Å; L650-T654 PolarHBondContact O-N 2.86Å; L650-T654 PolarHBondContact O-OG1 3.16Å; G651-T654 PolarHBondContact O-N 3.29Å; V652-T654 VanDerWaalsContact C-N 3.31Å; V652-T654 PolarHBondContact O-N 3.34Å; T654-L657 PolarHBondContact O-N 3.3Å; T654-L658 HydrophobicContact CG2-CD1 4.22Å; T654-L658 WeakPolarHBondContact O-CG 3.33Å; T654-L658 PolarHBondContact O-N 3Å; T654-F698 HydrophobicContact CG2-CD1 3.98Å; T654-F698 HydrophobicContact CG2-CE1 4.18Å; T654-I699 HydrophobicContact CG2-CD1 4.08Å; T654-I699 HydrophobicContact CG2-CG1 3.74Å; T654-W721 HydrophobicContact CG2-CH2 3.5Å; T654-W721 VanDerWaalsContact CG2-CH2 3.5Å; T654-W721 HydrophobicContact CG2-CZ2 4.4Å; T654-W721 HydrophobicContact CG2-CZ3 3.57Å
655	Y	95.9	Very high	94.8	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-57.7	-50.9	174	-171	-78.9	0	0	0	110.9	G651 V652 L657 L658 S659 L661 P663 W681 N682 F683 E685 F688 I699	G651-Y655 PolarHBondContact O-N 3.35Å; V652-Y655 WeakPolarHBondContact O-CB 3.47Å; V652-Y655 PolarHBondContact O-N 2.99Å; Y655-L657 VanDerWaalsContact C-N 3.33Å; Y655-L657 PolarHBondContact O-N 3.46Å; Y655-L658 PolarHBondContact O-N 3.4Å; Y655-L658 VanDerWaalsContact O-N 3.08Å; Y655-S659 WeakPolarHBondContact CD1-OG 3.37Å; Y655-S659 WeakPolarHBondContact CE1-OG 3.44Å; Y655-S659 PolarHBondContact O-N 2.86Å; Y655-S659 PolarHBondContact O-OG 3.39Å; Y655-L661 VanDerWaalsContact CD1-O 3.28Å; Y655-L661 WeakPolarHBondContact CD1-O 3.32Å; Y655-L661 HydrophobicContact CE1-CB 4.02Å; Y655-P663 HydrophobicContact CD1-CB 3.78Å; Y655-P663 HydrophobicContact CD1-CG 4.02Å; Y655-P663 HydrophobicContact CD2-CB 3.95Å; Y655-P663 HydrophobicContact CE1-CB 3.88Å; Y655-P663 HydrophobicContact CE2-CB 4.06Å; Y655-P663 HydrophobicContact CG-CB 3.8Å; Y655-P663 HydrophobicContact CG-CG 4Å; Y655-W681 HydrophobicContact CE2-CE3 4.25Å; Y655-N682 WeakPolarHBondContact CE2-O 3.33Å; Y655-N682 PolarHBondContact OH-O 2.89Å; Y655-N682 VanDerWaalsContact OH-O 3.11Å; Y655-F683 HydrophobicContact CD2-CE1 4.24Å; Y655-F683 HydrophobicContact CE2-CD1 4.19Å; Y655-F683 HydrophobicContact CE2-CE1 4.22Å; Y655-E685 PolarHBondContact OH-OE1 3.42Å; Y655-E685 PolarHBondContact OH-OE2 3.48Å; Y655-F688 HydrophobicContact CD1-CE2 4.42Å; Y655-F688 HydrophobicContact CD1-CZ 4.1Å; Y655-F688 HydrophobicContact CD2-CE2 4.18Å; Y655-F688 AromaticContact CD2-CZ 3.68Å; Y655-F688 HydrophobicContact CD2-CZ 3.68Å; Y655-F688 AromaticContact CE1-CE2 3.87Å; Y655-F688 HydrophobicContact CE1-CE2 3.87Å; Y655-F688 HydrophobicContact CE1-CZ 4.03Å; Y655-F688 AromaticContact CE2-CE2 3.57Å; Y655-F688 HydrophobicContact CE2-CE2 3.57Å; Y655-F688 AromaticContact CE2-CZ 3.56Å; Y655-F688 HydrophobicContact CE2-CZ 3.56Å; Y655-F688 AromaticContact CG-CZ 3.96Å; Y655-F688 HydrophobicContact CG-CZ 3.96Å; Y655-F688 AromaticContact CZ-CE2 3.41Å; Y655-F688 VanDerWaalsContact CZ-CE2 3.41Å; Y655-F688 AromaticContact CZ-CZ 3.76Å; Y655-I699 HydrophobicContact CD2-CD1 4.35Å; Y655-I699 HydrophobicContact CD2-CG2 4.27Å
656	M	92.6	Very high	94.6	Very high	28 Å²	28	16.5 Å²	16.5	14%	0.138	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-37.7	-180	-70	178.7	71.4	0	0	113.1	F550 P591 F630 V652 I653 L658 G660 L661	F550-M656 HydrophobicContact CE1-CB 3.94Å; F550-M656 HydrophobicContact CE1-CE 3.94Å; F550-M656 HydrophobicContact CZ-CB 4.11Å; F550-M656 HydrophobicContact CZ-CE 4.46Å; P591-M656 HydrophobicContact CG-CE 4.03Å; P591-M656 HydrophobicContact CG-SD 4.26Å; F630-M656 HydrophobicContact CE1-CE 4.42Å; F630-M656 HydrophobicContact CE1-SD 3.49Å; F630-M656 WeakPolarHBondContact CE1-SD 3.37Å; F630-M656 HydrophobicContact CZ-CE 4.17Å; F630-M656 HydrophobicContact CZ-SD 3.79Å; V652-M656 HydrophobicContact CG1-SD 4.13Å; V652-M656 WeakPolarHBondContact O-CG 3.38Å; V652-M656 PolarHBondContact O-N 2.94Å; I653-M656 PolarHBondContact O-N 3.47Å; M656-L658 VanDerWaalsContact C-N 3.27Å; M656-L658 PolarHBondContact O-N 2.97Å; M656-G660 WeakPolarHBondContact O-CA 3.49Å; M656-G660 PolarHBondContact O-N 3.41Å; M656-L661 WeakPolarHBondContact CA-O 3.4Å; M656-L661 WeakPolarHBondContact CG-O 3.49Å
657	L	91.9	Very high	94.3	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-67.2	-28.9	176.4	-72	-180	0	0	0	112.6	L549 F550 I553 L560 A565 F568 I569 I653 T654 Y655	L549-L657 HydrophobicContact CD2-CD2 4.31Å; F550-L657 HydrophobicContact CE1-CD2 4.25Å; F550-L657 HydrophobicContact CE2-CD2 4.16Å; F550-L657 HydrophobicContact CZ-CD2 3.8Å; F550-L657 HydrophobicContact CZ-CG 4.2Å; I553-L657 HydrophobicContact CD1-CD2 3.19Å; L560-L657 HydrophobicContact CD2-CB 4.42Å; L560-L657 HydrophobicContact CD2-CD2 4.32Å; L560-L657 WeakPolarHBondContact CD2-O 3.37Å; A565-L657 HydrophobicContact CB-CB 4.18Å; F568-L657 HydrophobicContact CB-CD1 4.18Å; I569-L657 HydrophobicContact CD1-CD1 3.58Å; I569-L657 HydrophobicContact CG1-CD1 3.87Å; I653-L657 HydrophobicContact CG2-CD1 4.12Å; I653-L657 HydrophobicContact CG2-CG 4.25Å; I653-L657 VanDerWaalsContact O-CG 3.29Å; I653-L657 WeakPolarHBondContact O-CG 3.47Å; I653-L657 PolarHBondContact O-N 2.77Å; T654-L657 PolarHBondContact O-N 3.3Å; Y655-L657 VanDerWaalsContact C-N 3.33Å; Y655-L657 PolarHBondContact O-N 3.46Å
658	L	92.2	Very high	94	Very high	24 Å²	24	28.7 Å²	28.7	13%	0.126	17%	0.17	C	C	.	.	H	α-helix	trans	-89	-26	-177.2	-68	176.8	0	0	0	113.5	E562 A565 T654 Y655 M656 F688 T691 A695 I699 W721	E562-L658 HydrophobicContact CB-CD2 4.32Å; E562-L658 HydrophobicContact CG-CD2 3.87Å; A565-L658 HydrophobicContact CB-CD2 3.81Å; T654-L658 HydrophobicContact CG2-CD1 4.22Å; T654-L658 WeakPolarHBondContact O-CG 3.33Å; T654-L658 PolarHBondContact O-N 3Å; Y655-L658 PolarHBondContact O-N 3.4Å; Y655-L658 VanDerWaalsContact O-N 3.08Å; M656-L658 VanDerWaalsContact C-N 3.27Å; M656-L658 PolarHBondContact O-N 2.97Å; L658-F688 HydrophobicContact CB-CE1 3.89Å; L658-T691 HydrophobicContact CD1-CG2 4.06Å; L658-A695 HydrophobicContact CD1-CB 3.82Å; L658-I699 HydrophobicContact CD1-CD1 3.93Å; L658-W721 HydrophobicContact CD1-CZ2 4.24Å; L658-W721 HydrophobicContact CD2-CZ2 4.3Å
659	S	89.5	Confident	93.7	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-121.7	-18.4	-176.9	62.7	0	0	0	0	115.2	Y655 L661 F688	Y655-S659 WeakPolarHBondContact CD1-OG 3.37Å; Y655-S659 WeakPolarHBondContact CE1-OG 3.44Å; Y655-S659 PolarHBondContact O-N 2.86Å; Y655-S659 PolarHBondContact O-OG 3.39Å; S659-L661 PolarHBondContact O-N 3.1Å; S659-L661 WeakPolarHBondContact OG-CB 3.41Å; S659-L661 PolarHBondContact OG-N 3.33Å; S659-L661 VanDerWaalsContact OG-N 3.11Å; S659-F688 VanDerWaalsContact CB-CE2 3.47Å
660	G	87.3	Confident	93.4	Very high	42 Å²	42	38.3 Å²	38.3	43%	0.433	22%	0.221	S	C	.	.	S	Bend	trans	71.7	-0.1	-166.4	0	0	0	0	0	113.9	M656	M656-G660 WeakPolarHBondContact O-CA 3.49Å; M656-G660 PolarHBondContact O-N 3.41Å
661	L	88.7	Confident	93.3	Very high	59 Å²	59	42.1 Å²	42.1	31%	0.309	24%	0.239	S	C	.	.	S	Bend	trans	-99.7	152.2	-178.5	-56.8	175.9	0	0	0	110.7	Y655 M656 S659 E685	Y655-L661 VanDerWaalsContact CD1-O 3.28Å; Y655-L661 WeakPolarHBondContact CD1-O 3.32Å; Y655-L661 HydrophobicContact CE1-CB 4.02Å; M656-L661 WeakPolarHBondContact CA-O 3.4Å; M656-L661 WeakPolarHBondContact CG-O 3.49Å; S659-L661 PolarHBondContact O-N 3.1Å; S659-L661 WeakPolarHBondContact OG-CB 3.41Å; S659-L661 PolarHBondContact OG-N 3.33Å; S659-L661 VanDerWaalsContact OG-N 3.11Å; L661-E685 HydrophobicContact CD1-CB 3.91Å; L661-E685 HydrophobicContact CD1-CG 3.75Å
662	C	92.3	Very high	93.1	Very high	28 Å²	28	42.2 Å²	42.2	19%	0.189	24%	0.239	C	C	.	.			trans	-96.4	121.7	173.5	-174.5	0	0	0	0	110.1	E629 F664 L665	E629-C662 VanDerWaalsContact CB-SG 3.51Å; C662-F664 PolarHBondContact O-N 3.23Å; C662-F664 VanDerWaalsContact O-N 3.1Å; C662-L665 HydrophobicContact CB-CB 3.71Å; C662-L665 HydrophobicContact CB-CD2 4.29Å; C662-L665 PolarHBondContact O-N 3.46Å
663	P	94.9	Very high	92.9	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.078	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.6	-165.3	22.2	-32.4	0	0	0	114.9	V652 Y655 W681 L703	V652-P663 HydrophobicContact CB-CG 4.43Å; V652-P663 HydrophobicContact CG1-CG 4.07Å; V652-P663 HydrophobicContact CG2-CG 4.28Å; Y655-P663 HydrophobicContact CD1-CB 3.78Å; Y655-P663 HydrophobicContact CD1-CG 4.02Å; Y655-P663 HydrophobicContact CD2-CB 3.95Å; Y655-P663 HydrophobicContact CE1-CB 3.88Å; Y655-P663 HydrophobicContact CE2-CB 4.06Å; Y655-P663 HydrophobicContact CG-CB 3.8Å; Y655-P663 HydrophobicContact CG-CG 4Å; P663-W681 HydrophobicContact CB-CB 4.14Å; P663-L703 HydrophobicContact CB-CD1 4.35Å; P663-L703 HydrophobicContact CG-CD1 4.35Å
664	F	96.4	Very high	92.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-1	-176	-58.3	-72.8	0	0	0	113.6	W648 V652 C662 G666 T672 N675 I676 W681 L703	W648-F664 AromaticContact CE2-CE2 3.87Å; W648-F664 AromaticContact CH2-CE1 3.98Å; W648-F664 HydrophobicContact CH2-CE1 3.98Å; W648-F664 AromaticContact CH2-CE2 3.78Å; W648-F664 HydrophobicContact CH2-CE2 3.78Å; W648-F664 AromaticContact CH2-CZ 3.31Å; W648-F664 HydrophobicContact CH2-CZ 3.31Å; W648-F664 AromaticContact CZ2-CD2 3.94Å; W648-F664 HydrophobicContact CZ2-CD2 3.94Å; W648-F664 HydrophobicContact CZ2-CE1 4.03Å; W648-F664 AromaticContact CZ2-CE2 3.2Å; W648-F664 HydrophobicContact CZ2-CE2 3.2Å; W648-F664 AromaticContact CZ2-CZ 3.26Å; W648-F664 HydrophobicContact CZ2-CZ 3.26Å; W648-F664 HydrophobicContact CZ3-CZ 4.35Å; V652-F664 HydrophobicContact CG2-CD2 4.31Å; V652-F664 HydrophobicContact CG2-CE2 4.05Å; C662-F664 PolarHBondContact O-N 3.23Å; C662-F664 VanDerWaalsContact O-N 3.1Å; F664-G666 PolarHBondContact O-N 2.9Å; F664-T672 WeakPolarHBondContact O-CA 3.42Å; F664-N675 HydrophobicContact CB-CB 4.2Å; F664-N675 HydrophobicContact CD1-CB 4.28Å; F664-N675 WeakPolarHBondContact O-CB 3.37Å; F664-N675 PolarHBondContact O-ND2 3Å; F664-I676 HydrophobicContact CB-CD1 4.43Å; F664-I676 HydrophobicContact CB-CG1 3.64Å; F664-I676 HydrophobicContact CD1-CG1 4.15Å; F664-I676 HydrophobicContact CD2-CG1 4.17Å; F664-I676 HydrophobicContact CG-CG1 3.73Å; F664-W681 HydrophobicContact CD1-CB 4.37Å; F664-W681 HydrophobicContact CE1-CB 3.88Å; F664-W681 AromaticContact CE1-CD1 3.47Å; F664-W681 VanDerWaalsContact CE1-CD1 3.47Å; F664-W681 AromaticContact CE1-CG 3.94Å; F664-W681 HydrophobicContact CE1-CG 3.94Å; F664-W681 HydrophobicContact CZ-CB 4.21Å; F664-W681 AromaticContact CZ-CD1 3.53Å; F664-W681 AromaticContact CZ-CG 3.97Å; F664-W681 HydrophobicContact CZ-CG 3.97Å; F664-L703 HydrophobicContact CE2-CD1 4.24Å; F664-L703 HydrophobicContact CE2-CD2 4.11Å; F664-L703 HydrophobicContact CZ-CD1 4.27Å; F664-L703 HydrophobicContact CZ-CD2 4.4Å
665	L	93.9	Very high	92.8	Very high	105 Å²	105	49.4 Å²	49.4	55%	0.55	28%	0.278	S	S	.	.			trans	-62.8	126.1	-174.7	-175.5	68.7	0	0	0	110.5	C662	C662-L665 HydrophobicContact CB-CB 3.71Å; C662-L665 HydrophobicContact CB-CD2 4.29Å; C662-L665 PolarHBondContact O-N 3.46Å
666	G	92.1	Very high	92.8	Very high	19 Å²	19	49.4 Å²	49.4	20%	0.196	28%	0.278	C	S	.	.			trans	-112.2	-179.2	171.6	0	0	0	0	0	111.8	F664 D668 T672	F664-G666 PolarHBondContact O-N 2.9Å; G666-D668 PolarHBondContact O-N 3.37Å; G666-T672 PolarHBondContact N-OG1 3.39Å
667	D	91.8	Very high	92.9	Very high	172 Å²	172	50.9 Å²	50.9	92%	0.92	29%	0.286	S	S	*	.	S	Bend	trans	-62.4	-23.6	178.9	-62.9	-33.2	0	0	0	113.3
668	D	92.1	Very high	93	Very high	83 Å²	83	53.6 Å²	53.6	44%	0.444	31%	0.31	S	S	.	.	S	Bend	trans	-146	171.4	174.1	69.2	48.3	0	0	0	112.4	G666 N670 Q671 T672	G666-D668 PolarHBondContact O-N 3.37Å; D668-N670 VanDerWaalsContact C-N 3.25Å; D668-N670 PolarHBondContact O-N 3.25Å; D668-N670 WeakPolarHBondContact OD1-CA 3.32Å; D668-N670 VanDerWaalsContact OD1-CB 3.28Å; D668-N670 WeakPolarHBondContact OD1-CB 3.45Å; D668-N670 PolarHBondContact OD1-N 3.07Å; D668-Q671 PolarHBondContact O-N 3.47Å; D668-Q671 PolarHBondContact OD1-N 3.22Å; D668-T672 PolarHBondContact O-N 3.39Å; D668-T672 PolarHBondContact O-OG1 3.2Å
669	D	91.7	Very high	93.2	Very high	102 Å²	102	53.9 Å²	53.9	55%	0.545	31%	0.313	S	S	.	.	H	α-helix	trans	-56.6	-37.1	179.3	-69.4	-7.3	0	0	0	112.5	P628 T672 L673	P628-D669 HydrophobicContact CG-CB 4.2Å; D669-T672 PolarHBondContact O-N 3.43Å; D669-L673 WeakPolarHBondContact O-CB 3.47Å; D669-L673 WeakPolarHBondContact O-CG 3.42Å; D669-L673 PolarHBondContact O-N 3.38Å
670	N	91.6	Very high	93.5	Very high	110 Å²	110	59.2 Å²	59.2	59%	0.588	34%	0.337	S	S	*	.	H	α-helix	trans	-70.9	-41.3	-179.5	-57.8	-63.7	0	0	0	110.8	D668 T672 L673 N674	D668-N670 VanDerWaalsContact C-N 3.25Å; D668-N670 PolarHBondContact O-N 3.25Å; D668-N670 WeakPolarHBondContact OD1-CA 3.32Å; D668-N670 VanDerWaalsContact OD1-CB 3.28Å; D668-N670 WeakPolarHBondContact OD1-CB 3.45Å; D668-N670 PolarHBondContact OD1-N 3.07Å; N670-T672 VanDerWaalsContact C-N 3.3Å; N670-L673 PolarHBondContact O-N 3.34Å; N670-N674 WeakPolarHBondContact O-CB 3.26Å; N670-N674 PolarHBondContact O-N 2.94Å; N670-N674 PolarHBondContact O-ND2 3.33Å
671	Q	94.6	Very high	94	Very high	79 Å²	79	59.5 Å²	59.5	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-41.8	174.8	-172.5	58.1	46.3	0	0	110.7	D668 N674 N675	D668-Q671 PolarHBondContact O-N 3.47Å; D668-Q671 PolarHBondContact OD1-N 3.22Å; Q671-N674 PolarHBondContact O-N 3.34Å; Q671-N675 PolarHBondContact NE2-OD1 2.94Å; Q671-N675 PolarHBondContact O-N 3.3Å; Q671-N675 PolarHBondContact O-ND2 3.49Å; Q671-N675 PolarHBondContact O-OD1 2.98Å
672	T	94.6	Very high	94.3	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-48.4	175.3	-58.2	0	0	0	0	111.5	P628 E629 F664 G666 D668 D669 N670 N674 N675 I676	P628-T672 HydrophobicContact CB-CG2 4.24Å; P628-T672 HydrophobicContact CG-CG2 4.14Å; E629-T672 HydrophobicContact CB-CG2 3.9Å; F664-T672 WeakPolarHBondContact O-CA 3.42Å; G666-T672 PolarHBondContact N-OG1 3.39Å; D668-T672 PolarHBondContact O-N 3.39Å; D668-T672 PolarHBondContact O-OG1 3.2Å; D669-T672 PolarHBondContact O-N 3.43Å; N670-T672 VanDerWaalsContact C-N 3.3Å; T672-N674 VanDerWaalsContact C-N 3.33Å; T672-N674 PolarHBondContact O-N 3.2Å; T672-N675 PolarHBondContact O-N 3.17Å; T672-I676 HydrophobicContact CG2-CD1 4.23Å; T672-I676 WeakPolarHBondContact O-CG1 3.25Å; T672-I676 PolarHBondContact O-N 3.31Å
673	L	92.9	Very high	94.5	Very high	45 Å²	45	60.7 Å²	60.7	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-38.7	176.3	-68.2	171.2	0	0	0	112.1	P628 L631 V636 D669 N670 I676 L677	P628-L673 HydrophobicContact CB-CD2 3.71Å; P628-L673 HydrophobicContact CB-CG 4.03Å; L631-L673 HydrophobicContact CD1-CD2 4.38Å; V636-L673 HydrophobicContact CB-CD2 4.46Å; V636-L673 HydrophobicContact CG1-CD2 3.86Å; V636-L673 HydrophobicContact CG2-CD2 3.71Å; D669-L673 WeakPolarHBondContact O-CB 3.47Å; D669-L673 WeakPolarHBondContact O-CG 3.42Å; D669-L673 PolarHBondContact O-N 3.38Å; N670-L673 PolarHBondContact O-N 3.34Å; L673-I676 PolarHBondContact O-N 3.41Å; L673-L677 WeakPolarHBondContact O-CB 3.23Å; L673-L677 VanDerWaalsContact O-CG 3.26Å; L673-L677 WeakPolarHBondContact O-CG 3.39Å; L673-L677 PolarHBondContact O-N 3.15Å
674	N	94.8	Very high	94.2	Very high	88 Å²	88	68.2 Å²	68.2	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-63.7	-42.9	175.4	-72.5	-27.6	0	0	0	111.5	N670 Q671 T672 I676 L677 A678	N670-N674 WeakPolarHBondContact O-CB 3.26Å; N670-N674 PolarHBondContact O-N 2.94Å; N670-N674 PolarHBondContact O-ND2 3.33Å; Q671-N674 PolarHBondContact O-N 3.34Å; T672-N674 VanDerWaalsContact C-N 3.33Å; T672-N674 PolarHBondContact O-N 3.2Å; N674-I676 VanDerWaalsContact C-N 3.33Å; N674-I676 PolarHBondContact O-N 2.9Å; N674-L677 PolarHBondContact O-N 2.93Å; N674-A678 VanDerWaalsContact O-CB 3.24Å; N674-A678 WeakPolarHBondContact O-CB 3.41Å; N674-A678 PolarHBondContact O-N 2.83Å
675	N	96.6	Very high	93.9	Very high	19 Å²	19	70.9 Å²	70.9	10%	0.102	37%	0.374	C	S	.	.	H	α-helix	trans	-60.4	-43.5	175.8	-66.3	-15.4	0	0	0	110.9	F664 Q671 T672 A678 C679 Q680	F664-N675 HydrophobicContact CB-CB 4.2Å; F664-N675 HydrophobicContact CD1-CB 4.28Å; F664-N675 WeakPolarHBondContact O-CB 3.37Å; F664-N675 PolarHBondContact O-ND2 3Å; Q671-N675 PolarHBondContact NE2-OD1 2.94Å; Q671-N675 PolarHBondContact O-N 3.3Å; Q671-N675 PolarHBondContact O-ND2 3.49Å; Q671-N675 PolarHBondContact O-OD1 2.98Å; T672-N675 PolarHBondContact O-N 3.17Å; N675-A678 CarbonylContact O-C 3.59Å; N675-A678 PolarHBondContact O-N 3.48Å; N675-C679 WeakPolarHBondContact O-CA 3.22Å; N675-C679 PolarHBondContact O-N 3.39Å; N675-Q680 PolarHBondContact O-N 2.9Å
676	I	96.1	Very high	93.6	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-60.8	-49.5	175.3	-66.8	165.1	0	0	0	110.8	P628 L631 P633 V636 W648 F664 T672 L673 N674 A678 C679	P628-I676 WeakPolarHBondContact O-CD1 3.45Å; L631-I676 WeakPolarHBondContact O-CG2 3.36Å; P633-I676 HydrophobicContact CB-CG2 4.31Å; P633-I676 HydrophobicContact CG-CG2 3.93Å; V636-I676 HydrophobicContact CG2-CG2 4.05Å; W648-I676 HydrophobicContact CZ2-CG2 4.12Å; F664-I676 HydrophobicContact CB-CD1 4.43Å; F664-I676 HydrophobicContact CB-CG1 3.64Å; F664-I676 HydrophobicContact CD1-CG1 4.15Å; F664-I676 HydrophobicContact CD2-CG1 4.17Å; F664-I676 HydrophobicContact CG-CG1 3.73Å; T672-I676 HydrophobicContact CG2-CD1 4.23Å; T672-I676 WeakPolarHBondContact O-CG1 3.25Å; T672-I676 PolarHBondContact O-N 3.31Å; L673-I676 PolarHBondContact O-N 3.41Å; N674-I676 VanDerWaalsContact C-N 3.33Å; N674-I676 PolarHBondContact O-N 2.9Å; I676-A678 VanDerWaalsContact C-N 3.27Å; I676-A678 PolarHBondContact O-N 3.49Å; I676-C679 PolarHBondContact O-N 3.09Å
677	L	93.9	Very high	93.4	Very high	60 Å²	60	77.9 Å²	77.9	31%	0.314	40%	0.399	S	S	.	.	H	α-helix	trans	-69.3	-22.8	-178.7	-70.6	176.7	0	0	0	113.6	V636 N637 L673 N674 M705	V636-L677 HydrophobicContact CB-CD2 3.95Å; V636-L677 HydrophobicContact CB-CG 4.42Å; V636-L677 HydrophobicContact CG1-CD1 3.84Å; V636-L677 HydrophobicContact CG1-CD2 3.74Å; V636-L677 HydrophobicContact CG1-CG 3.8Å; N637-L677 WeakPolarHBondContact OD1-CD2 3.28Å; L673-L677 WeakPolarHBondContact O-CB 3.23Å; L673-L677 VanDerWaalsContact O-CG 3.26Å; L673-L677 WeakPolarHBondContact O-CG 3.39Å; L673-L677 PolarHBondContact O-N 3.15Å; N674-L677 PolarHBondContact O-N 2.93Å; L677-M705 WeakPolarHBondContact O-CE 3.32Å
678	A	95.9	Very high	93.4	Very high	65 Å²	65	69.7 Å²	69.7	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-90.6	-7.5	172.2	0	0	0	0	0	112.7	N674 N675 I676 Q680	N674-A678 VanDerWaalsContact O-CB 3.24Å; N674-A678 WeakPolarHBondContact O-CB 3.41Å; N674-A678 PolarHBondContact O-N 2.83Å; N675-A678 CarbonylContact O-C 3.59Å; N675-A678 PolarHBondContact O-N 3.48Å; I676-A678 VanDerWaalsContact C-N 3.27Å; I676-A678 PolarHBondContact O-N 3.49Å; A678-Q680 HydrophobicContact CB-CB 4.16Å; A678-Q680 PolarHBondContact O-N 3.31Å
679	C	96.3	Very high	93.3	Very high	30 Å²	30	69.6 Å²	69.6	20%	0.203	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	38.6	-168.2	-151.9	0	0	0	0	113.2	N675 I676 W681 M705	N675-C679 WeakPolarHBondContact O-CA 3.22Å; N675-C679 PolarHBondContact O-N 3.39Å; I676-C679 PolarHBondContact O-N 3.09Å; C679-W681 VanDerWaalsContact O-CD1 3.27Å; C679-W681 PolarHBondContact O-N 3.42Å; C679-M705 HydrophobicContact CB-CG 3.3Å; C679-M705 HydrophobicContact CB-SD 3.49Å; C679-M705 WeakPolarHBondContact CB-SD 3.38Å
680	Q	95.9	Very high	93.1	Very high	123 Å²	123	69.4 Å²	69.4	58%	0.575	37%	0.365	S	S	*	.			trans	-89.5	103.1	-173.9	-172.1	172.9	0.9	0	0	110	N675 A678	N675-Q680 PolarHBondContact O-N 2.9Å; A678-Q680 HydrophobicContact CB-CB 4.16Å; A678-Q680 PolarHBondContact O-N 3.31Å
681	W	96.5	Very high	93.2	Very high	49 Å²	49	65 Å²	65	19%	0.186	34%	0.342	C	S	.	.			trans	-154.9	157.5	175.3	64.3	-84.6	0	0	0	108.3	Y655 P663 F664 C679 F683 I699 L703	Y655-W681 HydrophobicContact CE2-CE3 4.25Å; P663-W681 HydrophobicContact CB-CB 4.14Å; F664-W681 HydrophobicContact CD1-CB 4.37Å; F664-W681 HydrophobicContact CE1-CB 3.88Å; F664-W681 AromaticContact CE1-CD1 3.47Å; F664-W681 VanDerWaalsContact CE1-CD1 3.47Å; F664-W681 AromaticContact CE1-CG 3.94Å; F664-W681 HydrophobicContact CE1-CG 3.94Å; F664-W681 HydrophobicContact CZ-CB 4.21Å; F664-W681 AromaticContact CZ-CD1 3.53Å; F664-W681 AromaticContact CZ-CG 3.97Å; F664-W681 HydrophobicContact CZ-CG 3.97Å; C679-W681 VanDerWaalsContact O-CD1 3.27Å; C679-W681 PolarHBondContact O-N 3.42Å; W681-F683 AromaticContact CH2-CE2 4Å; W681-F683 HydrophobicContact CH2-CE2 4Å; W681-F683 AromaticContact CH2-CZ 3.97Å; W681-F683 HydrophobicContact CH2-CZ 3.97Å; W681-F683 HydrophobicContact CZ3-CD1 4.47Å; W681-F683 HydrophobicContact CZ3-CD2 4.19Å; W681-F683 AromaticContact CZ3-CE1 3.91Å; W681-F683 HydrophobicContact CZ3-CE1 3.91Å; W681-F683 AromaticContact CZ3-CE2 3.58Å; W681-F683 HydrophobicContact CZ3-CE2 3.58Å; W681-F683 AromaticContact CZ3-CZ 3.44Å; W681-F683 HydrophobicContact CZ3-CZ 3.44Å; W681-F683 VanDerWaalsContact CZ3-CZ 3.44Å; W681-I699 HydrophobicContact CH2-CG2 3.89Å; W681-I699 HydrophobicContact CZ3-CG2 3.83Å; W681-L703 HydrophobicContact CD2-CB 4.3Å; W681-L703 HydrophobicContact CD2-CD1 3.99Å; W681-L703 HydrophobicContact CE3-CD1 4.28Å; W681-L703 HydrophobicContact CG-CD1 4.38Å; W681-L703 HydrophobicContact CH2-CB 4.46Å; W681-L703 HydrophobicContact CZ2-CB 3.62Å; W681-L703 HydrophobicContact CZ2-CD1 4.44Å; W681-L703 PolarHBondContact NE1-O 2.87Å; W681-L703 VanDerWaalsContact NE1-O 3.11Å
682	N	95.4	Very high	93.3	Very high	64 Å²	64	62 Å²	62	34%	0.342	33%	0.33	S	S	.	.			trans	-150.9	-168.5	178.8	66.1	61.7	0	0	0	111.8	Y655 E684 E685	Y655-N682 WeakPolarHBondContact CE2-O 3.33Å; Y655-N682 PolarHBondContact OH-O 2.89Å; Y655-N682 VanDerWaalsContact OH-O 3.11Å; N682-E684 HydrophobicContact CB-CG 4.29Å; N682-E684 VanDerWaalsContact OD1-CB 3.26Å; N682-E684 WeakPolarHBondContact OD1-CB 3.38Å; N682-E684 WeakPolarHBondContact OD1-CG 3.42Å; N682-E684 PolarHBondContact OD1-N 3.48Å; N682-E685 PolarHBondContact OD1-OE2 3.37Å
683	F	95.9	Very high	93.4	Very high	47 Å²	47	67.2 Å²	67.2	21%	0.206	36%	0.361	C	S	.	.	S	Bend	trans	-128.7	29.1	176	-61.8	-65.9	0	0	0	111.1	Y655 W681 E685 F688 K696 I699	Y655-F683 HydrophobicContact CD2-CE1 4.24Å; Y655-F683 HydrophobicContact CE2-CD1 4.19Å; Y655-F683 HydrophobicContact CE2-CE1 4.22Å; W681-F683 AromaticContact CH2-CE2 4Å; W681-F683 HydrophobicContact CH2-CE2 4Å; W681-F683 AromaticContact CH2-CZ 3.97Å; W681-F683 HydrophobicContact CH2-CZ 3.97Å; W681-F683 HydrophobicContact CZ3-CD1 4.47Å; W681-F683 HydrophobicContact CZ3-CD2 4.19Å; W681-F683 AromaticContact CZ3-CE1 3.91Å; W681-F683 HydrophobicContact CZ3-CE1 3.91Å; W681-F683 AromaticContact CZ3-CE2 3.58Å; W681-F683 HydrophobicContact CZ3-CE2 3.58Å; W681-F683 AromaticContact CZ3-CZ 3.44Å; W681-F683 HydrophobicContact CZ3-CZ 3.44Å; W681-F683 VanDerWaalsContact CZ3-CZ 3.44Å; F683-E685 PolarHBondContact O-N 3.03Å; F683-F688 HydrophobicContact CB-CB 4.13Å; F683-F688 HydrophobicContact CB-CD2 4.35Å; F683-F688 HydrophobicContact CB-CG 4.21Å; F683-F688 HydrophobicContact CD1-CB 4.48Å; F683-F688 AromaticContact CD1-CD1 3.67Å; F683-F688 HydrophobicContact CD1-CD1 3.67Å; F683-F688 AromaticContact CD1-CD2 3.93Å; F683-F688 HydrophobicContact CD1-CD2 3.93Å; F683-F688 AromaticContact CD1-CE1 3.75Å; F683-F688 HydrophobicContact CD1-CE1 3.75Å; F683-F688 AromaticContact CD1-CE2 3.99Å; F683-F688 HydrophobicContact CD1-CE2 3.99Å; F683-F688 AromaticContact CD1-CG 3.77Å; F683-F688 HydrophobicContact CD1-CG 3.77Å; F683-F688 AromaticContact CD1-CZ 3.9Å; F683-F688 HydrophobicContact CD1-CZ 3.9Å; F683-F688 HydrophobicContact CE1-CD1 4.16Å; F683-F688 AromaticContact CE1-CE1 3.89Å; F683-F688 HydrophobicContact CE1-CE1 3.89Å; F683-F688 HydrophobicContact CE1-CZ 4.16Å; F683-F688 HydrophobicContact CG-CG 4.45Å; F683-K696 HydrophobicContact CD1-CG 4.31Å; F683-K696 HydrophobicContact CD2-CB 4.26Å; F683-K696 HydrophobicContact CD2-CD 4.24Å; F683-K696 HydrophobicContact CD2-CG 4.18Å; F683-K696 HydrophobicContact CE1-CB 4.48Å; F683-K696 HydrophobicContact CE1-CG 4.19Å; F683-K696 HydrophobicContact CE2-CB 3.74Å; F683-K696 HydrophobicContact CE2-CG 4.05Å; F683-K696 HydrophobicContact CG-CD 4.32Å; F683-K696 HydrophobicContact CG-CG 4.3Å; F683-K696 HydrophobicContact CZ-CB 3.85Å; F683-K696 HydrophobicContact CZ-CG 4.04Å; F683-I699 HydrophobicContact CE1-CB 4.32Å; F683-I699 HydrophobicContact CE1-CD1 3.9Å; F683-I699 HydrophobicContact CE1-CG2 4.14Å; F683-I699 HydrophobicContact CZ-CB 3.92Å; F683-I699 HydrophobicContact CZ-CD1 4.32Å; F683-I699 HydrophobicContact CZ-CG2 3.88Å
684	E	89.8	Confident	93.7	Very high	171 Å²	171	66.8 Å²	66.8	80%	0.799	36%	0.358	S	S	*	.			trans	-75.6	-15.4	-176.1	-64.9	-178.4	172	0	0	112.2	N682	N682-E684 HydrophobicContact CB-CG 4.29Å; N682-E684 VanDerWaalsContact OD1-CB 3.26Å; N682-E684 WeakPolarHBondContact OD1-CB 3.38Å; N682-E684 WeakPolarHBondContact OD1-CG 3.42Å; N682-E684 PolarHBondContact OD1-N 3.48Å
685	E	88.6	Confident	93.9	Very high	56 Å²	56	62.6 Å²	62.6	26%	0.262	34%	0.336	S	S	.	.	S	Bend	trans	-69.7	147.7	-179.8	-49.8	92	152.6	0	0	111.9	Y655 L661 N682 F683 E687 F688	Y655-E685 PolarHBondContact OH-OE1 3.42Å; Y655-E685 PolarHBondContact OH-OE2 3.48Å; L661-E685 HydrophobicContact CD1-CB 3.91Å; L661-E685 HydrophobicContact CD1-CG 3.75Å; N682-E685 PolarHBondContact OD1-OE2 3.37Å; F683-E685 PolarHBondContact O-N 3.03Å; E685-E687 WeakPolarHBondContact CB-OE2 3.41Å; E685-E687 PolarHBondContact O-N 3.46Å; E685-F688 PolarHBondContact O-N 2.93Å; E685-F688 VanDerWaalsContact O-N 3.09Å
686	Q	88.7	Confident	94	Very high	175 Å²	175	64.3 Å²	64.3	82%	0.818	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-65.8	-26.1	-171.2	-67.6	-171.6	-0.8	0	0	112.5	F688 A689	Q686-F688 PolarHBondContact O-N 3.03Å; Q686-A689 WeakPolarHBondContact O-CB 3.35Å; Q686-A689 PolarHBondContact O-N 2.89Å
687	E	87.9	Confident	94.1	Very high	95 Å²	95	67 Å²	67	44%	0.444	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-58.8	-28.7	176.5	-63	78.5	-174.4	0	0	111.5	E685 T691	E685-E687 WeakPolarHBondContact CB-OE2 3.41Å; E685-E687 PolarHBondContact O-N 3.46Å; E687-T691 PolarHBondContact O-OG1 2.99Å
688	F	90.9	Very high	94.3	Very high	1 Å²	1	64.1 Å²	64.1	0%	0.004	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-90.2	0.4	176.6	-71.5	-72.5	0	0	0	114.5	Y655 L658 S659 F683 E685 Q686 D690 T691 K696 I699	Y655-F688 HydrophobicContact CD1-CE2 4.42Å; Y655-F688 HydrophobicContact CD1-CZ 4.1Å; Y655-F688 HydrophobicContact CD2-CE2 4.18Å; Y655-F688 AromaticContact CD2-CZ 3.68Å; Y655-F688 HydrophobicContact CD2-CZ 3.68Å; Y655-F688 AromaticContact CE1-CE2 3.87Å; Y655-F688 HydrophobicContact CE1-CE2 3.87Å; Y655-F688 HydrophobicContact CE1-CZ 4.03Å; Y655-F688 AromaticContact CE2-CE2 3.57Å; Y655-F688 HydrophobicContact CE2-CE2 3.57Å; Y655-F688 AromaticContact CE2-CZ 3.56Å; Y655-F688 HydrophobicContact CE2-CZ 3.56Å; Y655-F688 AromaticContact CG-CZ 3.96Å; Y655-F688 HydrophobicContact CG-CZ 3.96Å; Y655-F688 AromaticContact CZ-CE2 3.41Å; Y655-F688 VanDerWaalsContact CZ-CE2 3.41Å; Y655-F688 AromaticContact CZ-CZ 3.76Å; L658-F688 HydrophobicContact CB-CE1 3.89Å; S659-F688 VanDerWaalsContact CB-CE2 3.47Å; F683-F688 HydrophobicContact CB-CB 4.13Å; F683-F688 HydrophobicContact CB-CD2 4.35Å; F683-F688 HydrophobicContact CB-CG 4.21Å; F683-F688 HydrophobicContact CD1-CB 4.48Å; F683-F688 AromaticContact CD1-CD1 3.67Å; F683-F688 HydrophobicContact CD1-CD1 3.67Å; F683-F688 AromaticContact CD1-CD2 3.93Å; F683-F688 HydrophobicContact CD1-CD2 3.93Å; F683-F688 AromaticContact CD1-CE1 3.75Å; F683-F688 HydrophobicContact CD1-CE1 3.75Å; F683-F688 AromaticContact CD1-CE2 3.99Å; F683-F688 HydrophobicContact CD1-CE2 3.99Å; F683-F688 AromaticContact CD1-CG 3.77Å; F683-F688 HydrophobicContact CD1-CG 3.77Å; F683-F688 AromaticContact CD1-CZ 3.9Å; F683-F688 HydrophobicContact CD1-CZ 3.9Å; F683-F688 HydrophobicContact CE1-CD1 4.16Å; F683-F688 AromaticContact CE1-CE1 3.89Å; F683-F688 HydrophobicContact CE1-CE1 3.89Å; F683-F688 HydrophobicContact CE1-CZ 4.16Å; F683-F688 HydrophobicContact CG-CG 4.45Å; E685-F688 PolarHBondContact O-N 2.93Å; E685-F688 VanDerWaalsContact O-N 3.09Å; Q686-F688 PolarHBondContact O-N 3.03Å; F688-D690 VanDerWaalsContact C-N 3.26Å; F688-D690 PolarHBondContact O-N 3.34Å; F688-T691 HydrophobicContact CD1-CG2 4.09Å; F688-T691 PolarHBondContact O-N 3.07Å; F688-K696 WeakPolarHBondContact O-CE 3.33Å; F688-K696 PolarHBondContact O-NZ 3.33Å; F688-I699 HydrophobicContact CE1-CD1 4.4Å
689	A	89.9	Confident	94.4	Very high	81 Å²	81	61 Å²	61	67%	0.669	32%	0.316	S	S	*	.	S	Bend	trans	-61.1	-37.3	-178.4	0	0	0	0	0	112.2	Q686	Q686-A689 WeakPolarHBondContact O-CB 3.35Å; Q686-A689 PolarHBondContact O-N 2.89Å
690	D	88.4	Confident	94.5	Very high	97 Å²	97	62.7 Å²	62.7	52%	0.519	33%	0.325	S	S	.	.	S	Bend	trans	-101.2	-1.9	-175.6	-94.2	-47.8	0	0	0	114.7	F688 K734	F688-D690 VanDerWaalsContact C-N 3.26Å; F688-D690 PolarHBondContact O-N 3.34Å; D690-K734 PolarHBondContact O-NZ 2.92Å; D690-K734 IonicContact OD1-NZ 3.5Å; D690-K734 PolarHBondContact OD1-NZ 3.39Å
691	T	93.6	Very high	94.7	Very high	19 Å²	19	62.4 Å²	62.4	12%	0.117	32%	0.319	C	S	.	.	S	Bend	trans	-74.3	137.7	-178.3	-61.1	0	0	0	0	111.6	L658 E687 F688 A695 K696	L658-T691 HydrophobicContact CD1-CG2 4.06Å; E687-T691 PolarHBondContact O-OG1 2.99Å; F688-T691 HydrophobicContact CD1-CG2 4.09Å; F688-T691 PolarHBondContact O-N 3.07Å; T691-A695 HydrophobicContact CG2-CB 3.59Å; T691-K696 HydrophobicContact CG2-CG 4.38Å
692	S	96.6	Very high	94.8	Very high	16 Å²	16	60.1 Å²	60.1	11%	0.112	31%	0.31	C	S	.	.			trans	-59.7	152.5	-178.9	77.2	0	0	0	0	113.4	E562 E694 A695 K696	E562-S692 WeakPolarHBondContact OE1-CB 3.33Å; E562-S692 PolarHBondContact OE1-OG 3.4Å; E562-S692 PolarHBondContact OE2-N 3.07Å; S692-E694 WeakPolarHBondContact CB-OE2 3.49Å; S692-E694 PolarHBondContact O-N 3.49Å; S692-A695 PolarHBondContact O-N 3.46Å; S692-A695 WeakPolarHBondContact OG-CB 3.37Å; S692-A695 PolarHBondContact OG-N 3.47Å; S692-A695 VanDerWaalsContact OG-N 3.07Å; S692-K696 PolarHBondContact O-N 3.4Å
693	V	97.6	Very high	94.9	Very high	110 Å²	110	57.2 Å²	57.2	67%	0.667	29%	0.294	S	S	*	.	H	α-helix	trans	-65.9	-31	176.1	-64.3	0	0	0	0	111	K696 D697	V693-K696 PolarHBondContact O-N 3.45Å; V693-D697 WeakPolarHBondContact O-CB 3.12Å; V693-D697 PolarHBondContact O-N 3.15Å
694	E	98.5	Very high	94.9	Very high	37 Å²	37	56.4 Å²	56.4	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-67.2	-38	177.1	-59.6	89.2	157.8	0	0	111.3	S692 D697 F698 H719 P720 W721 L727 R730	S692-E694 WeakPolarHBondContact CB-OE2 3.49Å; S692-E694 PolarHBondContact O-N 3.49Å; E694-D697 PolarHBondContact O-N 3.42Å; E694-F698 WeakPolarHBondContact O-CB 3.35Å; E694-F698 PolarHBondContact O-N 3.4Å; E694-H719 PolarHBondContact O-CE1 3.01Å; E694-P720 HydrophobicContact CG-CB 4.45Å; E694-W721 HydrophobicContact CB-CB 4Å; E694-W721 WeakPolarHBondContact O-CB 3.26Å; E694-L727 HydrophobicContact CB-CD2 3.7Å; E694-L727 HydrophobicContact CG-CD2 3.87Å; E694-R730 IonicContact OE1-CZ 3.5Å; E694-R730 IonicContact OE1-NH2 2.8Å; E694-R730 PolarHBondContact OE1-NH2 3.2Å; E694-R730 IonicContact OE2-NH2 3.94Å
695	A	98.2	Very high	95.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-44.2	173.8	0	0	0	0	0	111.9	L658 T691 S692 F698 I699 W721	L658-A695 HydrophobicContact CD1-CB 3.82Å; T691-A695 HydrophobicContact CG2-CB 3.59Å; S692-A695 PolarHBondContact O-N 3.46Å; S692-A695 WeakPolarHBondContact OG-CB 3.37Å; S692-A695 PolarHBondContact OG-N 3.47Å; S692-A695 VanDerWaalsContact OG-N 3.07Å; A695-F698 WeakPolarHBondContact O-CB 3.25Å; A695-F698 PolarHBondContact O-N 2.96Å; A695-I699 PolarHBondContact O-N 3.41Å; A695-I699 VanDerWaalsContact O-N 3.08Å; A695-W721 VanDerWaalsContact CA-CD1 3.42Å; A695-W721 HydrophobicContact CB-CD2 4.29Å; A695-W721 HydrophobicContact CB-CG 4.21Å; A695-W721 HydrophobicContact CB-CZ2 4.38Å; A695-W721 VanDerWaalsContact CB-NE1 3.28Å; A695-W721 VanDerWaalsContact N-CD1 3.34Å
696	K	98.4	Very high	95.4	Very high	54 Å²	54	52.4 Å²	52.4	24%	0.235	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-42.7	177.1	-66.1	-178.8	-174.6	-173.1	0	111.5	F683 F688 T691 S692 V693 F698 I699 T700	F683-K696 HydrophobicContact CD1-CG 4.31Å; F683-K696 HydrophobicContact CD2-CB 4.26Å; F683-K696 HydrophobicContact CD2-CD 4.24Å; F683-K696 HydrophobicContact CD2-CG 4.18Å; F683-K696 HydrophobicContact CE1-CB 4.48Å; F683-K696 HydrophobicContact CE1-CG 4.19Å; F683-K696 HydrophobicContact CE2-CB 3.74Å; F683-K696 HydrophobicContact CE2-CG 4.05Å; F683-K696 HydrophobicContact CG-CD 4.32Å; F683-K696 HydrophobicContact CG-CG 4.3Å; F683-K696 HydrophobicContact CZ-CB 3.85Å; F683-K696 HydrophobicContact CZ-CG 4.04Å; F688-K696 WeakPolarHBondContact O-CE 3.33Å; F688-K696 PolarHBondContact O-NZ 3.33Å; T691-K696 HydrophobicContact CG2-CG 4.38Å; S692-K696 PolarHBondContact O-N 3.4Å; V693-K696 PolarHBondContact O-N 3.45Å; K696-F698 VanDerWaalsContact C-N 3.35Å; K696-I699 PolarHBondContact O-N 3.1Å; K696-T700 WeakPolarHBondContact O-CB 3.38Å; K696-T700 PolarHBondContact O-N 2.87Å; K696-T700 PolarHBondContact O-OG1 3.41Å
697	D	98.7	Very high	95.7	Very high	56 Å²	56	46.4 Å²	46.4	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-43	173.9	-173.6	39.9	0	0	0	111.3	V693 E694 I699 T700 R701 H719	V693-D697 WeakPolarHBondContact O-CB 3.12Å; V693-D697 PolarHBondContact O-N 3.15Å; E694-D697 PolarHBondContact O-N 3.42Å; D697-I699 PolarHBondContact O-N 3Å; D697-T700 PolarHBondContact O-N 3.47Å; D697-R701 WeakPolarHBondContact O-CG 3.38Å; D697-R701 PolarHBondContact O-N 2.88Å; D697-R701 IonicContact OD1-CZ 2.8Å; D697-R701 IonicContact OD1-NE 3.1Å; D697-R701 PolarHBondContact OD1-NE 2.89Å; D697-R701 IonicContact OD1-NH2 2.64Å; D697-R701 PolarHBondContact OD1-NH2 3.31Å; D697-R701 IonicContact OD2-CZ 3.92Å; D697-R701 VanDerWaalsContact OD2-CZ 3.31Å; D697-R701 IonicContact OD2-NE 3.68Å; D697-R701 PolarHBondContact OD2-NE 3.24Å; D697-R701 IonicContact OD2-NH2 3.83Å; D697-R701 PolarHBondContact OD2-NH2 3.34Å; D697-H719 IonicContact OD2-CE1 3.72Å; D697-H719 IonicContact OD2-NE2 2.95Å; D697-H719 PolarHBondContact OD2-NE2 3.34Å; D697-H719 VanDerWaalsContact OD2-NE2 3.1Å
698	F	98.8	Very high	96	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.1	-49.1	177.8	-175.2	-93.4	0	0	0	112.3	I569 L650 T654 E694 A695 K696 R701 L702 M711 A716 H719 W721 L722	I569-F698 HydrophobicContact CG2-CE1 3.92Å; I569-F698 HydrophobicContact CG2-CZ 3.92Å; L650-F698 HydrophobicContact CD2-CZ 4.31Å; T654-F698 HydrophobicContact CG2-CD1 3.98Å; T654-F698 HydrophobicContact CG2-CE1 4.18Å; E694-F698 WeakPolarHBondContact O-CB 3.35Å; E694-F698 PolarHBondContact O-N 3.4Å; A695-F698 WeakPolarHBondContact O-CB 3.25Å; A695-F698 PolarHBondContact O-N 2.96Å; K696-F698 VanDerWaalsContact C-N 3.35Å; F698-R701 PolarHBondContact O-N 3.09Å; F698-L702 HydrophobicContact CD1-CD1 3.81Å; F698-L702 HydrophobicContact CE1-CD1 3.35Å; F698-L702 HydrophobicContact CZ-CD1 3.83Å; F698-L702 WeakPolarHBondContact O-CG 3.27Å; F698-L702 PolarHBondContact O-N 3.46Å; F698-M711 HydrophobicContact CD2-CE 3.95Å; F698-M711 HydrophobicContact CE2-CE 4.24Å; F698-M711 HydrophobicContact CG-CE 4.5Å; F698-A716 HydrophobicContact CE2-CB 3.74Å; F698-A716 HydrophobicContact CZ-CB 3.95Å; F698-H719 HydrophobicContact CD2-CB 3.79Å; F698-H719 AromaticContact CD2-CG 3.63Å; F698-H719 AromaticContact CD2-ND1 3.55Å; F698-H719 HydrophobicContact CE2-CB 4.13Å; F698-W721 HydrophobicContact CB-CB 4.09Å; F698-W721 HydrophobicContact CB-CD2 4.28Å; F698-W721 HydrophobicContact CB-CE3 3.93Å; F698-W721 HydrophobicContact CB-CG 4.36Å; F698-W721 AromaticContact CD1-CE3 3.53Å; F698-W721 HydrophobicContact CD1-CE3 3.53Å; F698-W721 AromaticContact CD1-CZ3 3.67Å; F698-W721 HydrophobicContact CD1-CZ3 3.67Å; F698-W721 HydrophobicContact CD2-CB 4.47Å; F698-W721 AromaticContact CD2-CE3 3.88Å; F698-W721 HydrophobicContact CD2-CE3 3.88Å; F698-W721 AromaticContact CE1-CE3 3.9Å; F698-W721 HydrophobicContact CE1-CE3 3.9Å; F698-W721 AromaticContact CE1-CZ3 3.75Å; F698-W721 HydrophobicContact CE1-CZ3 3.75Å; F698-W721 HydrophobicContact CE2-CE3 4.22Å; F698-W721 HydrophobicContact CG-CB 4.5Å; F698-W721 HydrophobicContact CG-CD2 4.32Å; F698-W721 AromaticContact CG-CE3 3.5Å; F698-W721 HydrophobicContact CG-CE3 3.5Å; F698-W721 HydrophobicContact CG-CZ3 4.15Å; F698-W721 HydrophobicContact CZ-CE3 4.23Å; F698-W721 HydrophobicContact CZ-CZ3 4.29Å; F698-L722 HydrophobicContact CD2-CG 4.48Å; F698-L722 HydrophobicContact CE2-CD1 3.76Å; F698-L722 HydrophobicContact CE2-CG 3.89Å; F698-L722 HydrophobicContact CZ-CD1 3.87Å; F698-L722 HydrophobicContact CZ-CG 4.26Å
699	I	98.7	Very high	96.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-44.9	176.8	-68.9	169.2	0	0	0	110.8	T654 Y655 L658 W681 F683 F688 A695 K696 D697 R701 L702 L703	T654-I699 HydrophobicContact CG2-CD1 4.08Å; T654-I699 HydrophobicContact CG2-CG1 3.74Å; Y655-I699 HydrophobicContact CD2-CD1 4.35Å; Y655-I699 HydrophobicContact CD2-CG2 4.27Å; L658-I699 HydrophobicContact CD1-CD1 3.93Å; W681-I699 HydrophobicContact CH2-CG2 3.89Å; W681-I699 HydrophobicContact CZ3-CG2 3.83Å; F683-I699 HydrophobicContact CE1-CB 4.32Å; F683-I699 HydrophobicContact CE1-CD1 3.9Å; F683-I699 HydrophobicContact CE1-CG2 4.14Å; F683-I699 HydrophobicContact CZ-CB 3.92Å; F683-I699 HydrophobicContact CZ-CD1 4.32Å; F683-I699 HydrophobicContact CZ-CG2 3.88Å; F688-I699 HydrophobicContact CE1-CD1 4.4Å; A695-I699 PolarHBondContact O-N 3.41Å; A695-I699 VanDerWaalsContact O-N 3.08Å; K696-I699 PolarHBondContact O-N 3.1Å; D697-I699 PolarHBondContact O-N 3Å; I699-R701 PolarHBondContact O-N 3.35Å; I699-L702 PolarHBondContact O-N 3.32Å; I699-L703 HydrophobicContact CG2-CD1 3.65Å; I699-L703 HydrophobicContact CG2-CG 4.03Å; I699-L703 PolarHBondContact O-N 3.08Å
700	T	98.5	Very high	96.7	Very high	65 Å²	65	52.1 Å²	52.1	40%	0.399	26%	0.26	S	S	.	.	H	α-helix	trans	-59.2	-33	-178.5	-55.8	0	0	0	0	112.3	K696 D697 L702 V704	K696-T700 WeakPolarHBondContact O-CB 3.38Å; K696-T700 PolarHBondContact O-N 2.87Å; K696-T700 PolarHBondContact O-OG1 3.41Å; D697-T700 PolarHBondContact O-N 3.47Å; T700-L702 VanDerWaalsContact C-N 3.33Å; T700-V704 WeakPolarHBondContact O-CG2 3.35Å
701	R	98.5	Very high	97.2	Very high	118 Å²	118	48.3 Å²	48.3	45%	0.445	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.8	177.1	-68.2	176.9	-169.7	-131.6	13.3	114.4	D697 F698 I699 R710 M711	D697-R701 WeakPolarHBondContact O-CG 3.38Å; D697-R701 PolarHBondContact O-N 2.88Å; D697-R701 IonicContact OD1-CZ 2.8Å; D697-R701 IonicContact OD1-NE 3.1Å; D697-R701 PolarHBondContact OD1-NE 2.89Å; D697-R701 IonicContact OD1-NH2 2.64Å; D697-R701 PolarHBondContact OD1-NH2 3.31Å; D697-R701 IonicContact OD2-CZ 3.92Å; D697-R701 VanDerWaalsContact OD2-CZ 3.31Å; D697-R701 IonicContact OD2-NE 3.68Å; D697-R701 PolarHBondContact OD2-NE 3.24Å; D697-R701 IonicContact OD2-NH2 3.83Å; D697-R701 PolarHBondContact OD2-NH2 3.34Å; F698-R701 PolarHBondContact O-N 3.09Å; I699-R701 PolarHBondContact O-N 3.35Å; R701-R710 WeakPolarHBondContact O-CA 3.45Å; R701-M711 HydrophobicContact CB-CE 3.44Å; R701-M711 VanDerWaalsContact CB-CE 3.44Å; R701-M711 HydrophobicContact CB-CG 3.93Å; R701-M711 HydrophobicContact CB-SD 3.8Å; R701-M711 VanDerWaalsContact CD-SD 3.51Å; R701-M711 HydrophobicContact CG-CE 4.39Å; R701-M711 HydrophobicContact CG-SD 4.32Å; R701-M711 PolarHBondContact O-N 3.31Å; R701-M711 VanDerWaalsContact O-N 3.12Å
702	L	98.6	Very high	97.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-42.8	176.5	-67.6	175.5	0	0	0	112	M647 L650 F698 I699 T700 V704 R710 M711	M647-L702 HydrophobicContact CB-CD2 4.01Å; M647-L702 HydrophobicContact CE-CD2 3.82Å; L650-L702 HydrophobicContact CB-CD1 4.46Å; L650-L702 HydrophobicContact CD2-CD1 4.16Å; L650-L702 HydrophobicContact CG-CD1 4.25Å; F698-L702 HydrophobicContact CD1-CD1 3.81Å; F698-L702 HydrophobicContact CE1-CD1 3.35Å; F698-L702 HydrophobicContact CZ-CD1 3.83Å; F698-L702 WeakPolarHBondContact O-CG 3.27Å; F698-L702 PolarHBondContact O-N 3.46Å; I699-L702 PolarHBondContact O-N 3.32Å; T700-L702 VanDerWaalsContact C-N 3.33Å; L702-V704 PolarHBondContact O-N 3.04Å; L702-R710 WeakPolarHBondContact O-CD 3.27Å; L702-R710 VanDerWaalsContact O-CG 3.31Å; L702-R710 WeakPolarHBondContact O-CG 3.22Å; L702-M711 HydrophobicContact CD2-CB 4.17Å; L702-M711 HydrophobicContact CD2-CE 4.3Å; L702-M711 HydrophobicContact CG-CE 4.19Å
703	L	98.3	Very high	97.5	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	24%	0.241	C	C	.	.	S	Bend	trans	-84.7	61.2	-179.7	-62	-172.9	0	0	0	111.8	W648 V652 P663 F664 W681 I699	W648-L703 HydrophobicContact CD2-CD2 4.03Å; W648-L703 HydrophobicContact CE3-CD2 4.1Å; W648-L703 HydrophobicContact CZ3-CB 4.48Å; W648-L703 HydrophobicContact CZ3-CD2 4.41Å; V652-L703 HydrophobicContact CG2-CD2 3.88Å; P663-L703 HydrophobicContact CB-CD1 4.35Å; P663-L703 HydrophobicContact CG-CD1 4.35Å; F664-L703 HydrophobicContact CE2-CD1 4.24Å; F664-L703 HydrophobicContact CE2-CD2 4.11Å; F664-L703 HydrophobicContact CZ-CD1 4.27Å; F664-L703 HydrophobicContact CZ-CD2 4.4Å; W681-L703 HydrophobicContact CD2-CB 4.3Å; W681-L703 HydrophobicContact CD2-CD1 3.99Å; W681-L703 HydrophobicContact CE3-CD1 4.28Å; W681-L703 HydrophobicContact CG-CD1 4.38Å; W681-L703 HydrophobicContact CH2-CB 4.46Å; W681-L703 HydrophobicContact CZ2-CB 3.62Å; W681-L703 HydrophobicContact CZ2-CD1 4.44Å; W681-L703 PolarHBondContact NE1-O 2.87Å; W681-L703 VanDerWaalsContact NE1-O 3.11Å; I699-L703 HydrophobicContact CG2-CD1 3.65Å; I699-L703 HydrophobicContact CG2-CG 4.03Å; I699-L703 PolarHBondContact O-N 3.08Å
704	V	96.6	Very high	97.5	Very high	31 Å²	31	45.6 Å²	45.6	19%	0.188	23%	0.229	C	C	.	.			trans	-114	137	-179.5	-174.4	0	0	0	0	110.1	T700 L702 N706 W709 R710	T700-V704 WeakPolarHBondContact O-CG2 3.35Å; L702-V704 PolarHBondContact O-N 3.04Å; V704-N706 PolarHBondContact O-N 3.19Å; V704-W709 HydrophobicContact CG1-CB 4.02Å; V704-W709 HydrophobicContact CG1-CE3 4.18Å; V704-R710 HydrophobicContact CB-CG 4.08Å; V704-R710 PolarHBondContact O-NE 2.8Å; V704-R710 PolarHBondContact O-NH2 3.2Å; V704-R710 VanDerWaalsContact O-NH2 3.15Å
705	M	94.6	Very high	97.5	Very high	75 Å²	75	48.5 Å²	48.5	37%	0.369	24%	0.243	S	C	.	.	S	Bend	trans	-56.5	-51.2	177.9	-78	-59.5	-92.8	0	0	112.9	P633 L677 C679 K707 R710	P633-M705 HydrophobicContact CB-CE 4.15Å; P633-M705 HydrophobicContact CB-SD 3.81Å; P633-M705 HydrophobicContact CG-SD 3.56Å; P633-M705 VanDerWaalsContact CG-SD 3.56Å; L677-M705 WeakPolarHBondContact O-CE 3.32Å; C679-M705 HydrophobicContact CB-CG 3.3Å; C679-M705 HydrophobicContact CB-SD 3.49Å; C679-M705 WeakPolarHBondContact CB-SD 3.38Å; M705-K707 PolarHBondContact O-N 2.9Å; M705-R710 PolarHBondContact O-NH2 3.44Å
706	N	94.3	Very high	97.5	Very high	67 Å²	67	48.5 Å²	48.5	36%	0.358	24%	0.243	S	C	.	.	S	Bend	trans	-76.6	108.8	179	-169.2	-11	0	0	0	109.9	V704 T708 W709	V704-N706 PolarHBondContact O-N 3.19Å; N706-T708 PolarHBondContact ND2-OG1 3.28Å; N706-T708 PolarHBondContact O-N 3.46Å; N706-T708 VanDerWaalsContact O-N 3.11Å; N706-T708 PolarHBondContact OD1-N 3.47Å; N706-T708 PolarHBondContact OD1-OG1 2.72Å; N706-W709 HydrophobicContact CB-CD2 4.07Å; N706-W709 HydrophobicContact CB-CE3 4.32Å; N706-W709 HydrophobicContact CB-CG 4.17Å; N706-W709 PolarHBondContact O-N 2.91Å
707	K	94.5	Very high	97.5	Very high	50 Å²	50	47 Å²	47	22%	0.217	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-54.9	-29.4	179.6	69.4	-167.5	172.9	-148.2	0	113.9	E634 F640 N644 M705 W709 R710	E634-K707 HydrophobicContact CB-CD 4.49Å; E634-K707 HydrophobicContact CG-CD 4.26Å; F640-K707 PolarHBondContact O-NZ 3.12Å; N644-K707 HydrophobicContact CB-CB 4.09Å; N644-K707 WeakPolarHBondContact CB-O 3.4Å; N644-K707 PolarHBondContact ND2-O 3.4Å; N644-K707 VanDerWaalsContact ND2-O 3.13Å; M705-K707 PolarHBondContact O-N 2.9Å; K707-W709 PolarHBondContact O-N 2.9Å; K707-R710 PolarHBondContact O-N 3.06Å
708	T	94.9	Very high	97.4	Very high	98 Å²	98	52.5 Å²	52.5	60%	0.601	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-74.2	-13.2	179.7	63.7	0	0	0	0	113.6	N706	N706-T708 PolarHBondContact ND2-OG1 3.28Å; N706-T708 PolarHBondContact O-N 3.46Å; N706-T708 VanDerWaalsContact O-N 3.11Å; N706-T708 PolarHBondContact OD1-N 3.47Å; N706-T708 PolarHBondContact OD1-OG1 2.72Å
709	W	97.1	Very high	97.4	Very high	192 Å²	192	52.9 Å²	52.9	73%	0.727	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-95.4	-7.8	176.7	-64.1	-4.2	0	0	0	112.8	V704 N706 K707	V704-W709 HydrophobicContact CG1-CB 4.02Å; V704-W709 HydrophobicContact CG1-CE3 4.18Å; N706-W709 HydrophobicContact CB-CD2 4.07Å; N706-W709 HydrophobicContact CB-CE3 4.32Å; N706-W709 HydrophobicContact CB-CG 4.17Å; N706-W709 PolarHBondContact O-N 2.91Å; K707-W709 PolarHBondContact O-N 2.9Å
710	R	98.3	Very high	97.4	Very high	6 Å²	6	56 Å²	56	2%	0.023	28%	0.275	C	S	.	.	S	Bend	trans	-73.3	140.3	175.9	-57.7	179.7	-166.6	146.5	7	109.7	E634 N644 R701 L702 V704 M705 K707	E634-R710 IonicContact OE1-CZ 3.59Å; E634-R710 IonicContact OE1-NH1 2.82Å; E634-R710 PolarHBondContact OE1-NH1 2.93Å; E634-R710 IonicContact OE1-NH2 3.4Å; E634-R710 IonicContact OE2-CZ 3.31Å; E634-R710 IonicContact OE2-NH1 2.77Å; E634-R710 PolarHBondContact OE2-NH1 2.91Å; E634-R710 IonicContact OE2-NH2 2.84Å; E634-R710 PolarHBondContact OE2-NH2 2.82Å; N644-R710 HydrophobicContact CB-CB 4.35Å; N644-R710 PolarHBondContact ND2-O 3.45Å; N644-R710 WeakPolarHBondContact O-CD 3.49Å; N644-R710 PolarHBondContact O-NH1 3.35Å; R701-R710 WeakPolarHBondContact O-CA 3.45Å; L702-R710 WeakPolarHBondContact O-CD 3.27Å; L702-R710 VanDerWaalsContact O-CG 3.31Å; L702-R710 WeakPolarHBondContact O-CG 3.22Å; V704-R710 HydrophobicContact CB-CG 4.08Å; V704-R710 PolarHBondContact O-NE 2.8Å; V704-R710 PolarHBondContact O-NH2 3.2Å; V704-R710 VanDerWaalsContact O-NH2 3.15Å; M705-R710 PolarHBondContact O-NH2 3.44Å; K707-R710 PolarHBondContact O-N 3.06Å
711	M	97.9	Very high	97.4	Very high	17 Å²	17	52.9 Å²	52.9	8%	0.084	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-59.1	140.6	170.8	-70.2	-177.8	-53.4	0	0	111.5	M647 F698 R701 L702 E715	M647-M711 WeakPolarHBondContact CG-O 3.42Å; F698-M711 HydrophobicContact CD2-CE 3.95Å; F698-M711 HydrophobicContact CE2-CE 4.24Å; F698-M711 HydrophobicContact CG-CE 4.5Å; R701-M711 HydrophobicContact CB-CE 3.44Å; R701-M711 VanDerWaalsContact CB-CE 3.44Å; R701-M711 HydrophobicContact CB-CG 3.93Å; R701-M711 HydrophobicContact CB-SD 3.8Å; R701-M711 VanDerWaalsContact CD-SD 3.51Å; R701-M711 HydrophobicContact CG-CE 4.39Å; R701-M711 HydrophobicContact CG-SD 4.32Å; R701-M711 PolarHBondContact O-N 3.31Å; R701-M711 VanDerWaalsContact O-N 3.12Å; L702-M711 HydrophobicContact CD2-CB 4.17Å; L702-M711 HydrophobicContact CD2-CE 4.3Å; L702-M711 HydrophobicContact CG-CE 4.19Å; M711-E715 WeakPolarHBondContact CA-OE2 3.46Å; M711-E715 HydrophobicContact CB-CB 4.09Å; M711-E715 HydrophobicContact CG-CB 4.34Å
712	G	98.2	Very high	97.3	Very high	21 Å²	21	47.2 Å²	47.2	22%	0.216	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-77.7	166.4	167.3	0	0	0	0	0	112.5	C714 E715 A716	G712-C714 VanDerWaalsContact C-N 3.3Å; G712-C714 PolarHBondContact O-N 3.03Å; G712-E715 PolarHBondContact N-OE2 3.03Å; G712-E715 WeakPolarHBondContact O-CB 3.26Å; G712-E715 PolarHBondContact O-N 3.28Å; G712-A716 PolarHBondContact O-N 3.04Å
713	A	98.1	Very high	97.2	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-39.4	-179.6	0	0	0	0	0	113.5	C573 L576 Q577 M647 E715 A716 L717	C573-A713 PolarHBondContact SG-O 3.2Å; L576-A713 HydrophobicContact CB-CB 4.3Å; Q577-A713 HydrophobicContact CB-CB 3.98Å; M647-A713 HydrophobicContact CE-CB 4.3Å; M647-A713 HydrophobicContact SD-CB 3.92Å; A713-E715 VanDerWaalsContact C-N 3.31Å; A713-E715 PolarHBondContact O-N 3.43Å; A713-A716 PolarHBondContact O-N 2.99Å; A713-L717 PolarHBondContact O-N 3.1Å
714	C	97.7	Very high	97.1	Very high	64 Å²	64	52.3 Å²	52.3	43%	0.432	27%	0.267	S	S	.	.	H	α-helix	trans	-65.6	-31.3	175.3	-62	0	0	0	0	113.6	Q577 G712 R718	Q577-C714 PolarHBondContact NE2-SG 3.28Å; G712-C714 VanDerWaalsContact C-N 3.3Å; G712-C714 PolarHBondContact O-N 3.03Å; C714-R718 WeakPolarHBondContact O-CG 3.32Å; C714-R718 PolarHBondContact O-NE 3.21Å; C714-R718 VanDerWaalsContact O-NE 3.1Å
715	E	98.1	Very high	96.9	Very high	98 Å²	98	55 Å²	55	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-78.8	-42	177.4	-66	174.7	155.2	0	0	110.3	M711 G712 A713 L717 R718 H719	M711-E715 WeakPolarHBondContact CA-OE2 3.46Å; M711-E715 HydrophobicContact CB-CB 4.09Å; M711-E715 HydrophobicContact CG-CB 4.34Å; G712-E715 PolarHBondContact N-OE2 3.03Å; G712-E715 WeakPolarHBondContact O-CB 3.26Å; G712-E715 PolarHBondContact O-N 3.28Å; A713-E715 VanDerWaalsContact C-N 3.31Å; A713-E715 PolarHBondContact O-N 3.43Å; E715-L717 VanDerWaalsContact C-N 3.34Å; E715-L717 PolarHBondContact O-N 3.12Å; E715-R718 CarbonylContact O-C 3.59Å; E715-R718 WeakPolarHBondContact O-CA 3.39Å; E715-R718 PolarHBondContact O-N 3.18Å; E715-H719 PolarHBondContact O-N 3.43Å
716	A	98.6	Very high	96.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.3	-46.8	173.9	0	0	0	0	0	111.7	M647 F698 G712 A713 R718 H719 L722	M647-A716 HydrophobicContact CE-CB 3.98Å; F698-A716 HydrophobicContact CE2-CB 3.74Å; F698-A716 HydrophobicContact CZ-CB 3.95Å; G712-A716 PolarHBondContact O-N 3.04Å; A713-A716 PolarHBondContact O-N 2.99Å; A716-R718 PolarHBondContact O-N 3.21Å; A716-H719 WeakPolarHBondContact O-CB 3.49Å; A716-H719 PolarHBondContact O-N 3.06Å; A716-L722 WeakPolarHBondContact O-CD1 3.42Å
717	L	98.1	Very high	96.8	Very high	21 Å²	21	53.1 Å²	53.1	11%	0.11	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.3	176	-75.7	168.1	0	0	0	114.3	R570 C573 E574 Q577 A713 E715 L722	R570-L717 HydrophobicContact CG-CD2 4.08Å; C573-L717 HydrophobicContact CB-CD2 3.91Å; C573-L717 HydrophobicContact CB-CG 4.07Å; E574-L717 HydrophobicContact CG-CD1 4.22Å; E574-L717 HydrophobicContact CG-CD2 3.93Å; Q577-L717 HydrophobicContact CB-CD1 4.1Å; Q577-L717 HydrophobicContact CG-CD1 4.4Å; A713-L717 PolarHBondContact O-N 3.1Å; E715-L717 VanDerWaalsContact C-N 3.34Å; E715-L717 PolarHBondContact O-N 3.12Å; L717-L722 HydrophobicContact CD2-CD1 4.49Å
718	R	98.3	Very high	96.8	Very high	172 Å²	172	51.2 Å²	51.2	65%	0.649	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-15.1	176.3	-70.6	-176.7	-69.3	173.2	4.3	112.8	C714 E715 A716 S723	C714-R718 WeakPolarHBondContact O-CG 3.32Å; C714-R718 PolarHBondContact O-NE 3.21Å; C714-R718 VanDerWaalsContact O-NE 3.1Å; E715-R718 CarbonylContact O-C 3.59Å; E715-R718 WeakPolarHBondContact O-CA 3.39Å; E715-R718 PolarHBondContact O-N 3.18Å; A716-R718 PolarHBondContact O-N 3.21Å; R718-S723 PolarHBondContact O-OG 2.62Å
719	H	98.7	Very high	96.6	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.042	26%	0.262	C	S	.	.	S	Bend	trans	-57.8	138.2	-179.1	-169.7	-91.3	0	0	0	111.3	E694 D697 F698 E715 A716 W721 L722 S723	E694-H719 PolarHBondContact O-CE1 3.01Å; D697-H719 IonicContact OD2-CE1 3.72Å; D697-H719 IonicContact OD2-NE2 2.95Å; D697-H719 PolarHBondContact OD2-NE2 3.34Å; D697-H719 VanDerWaalsContact OD2-NE2 3.1Å; F698-H719 HydrophobicContact CD2-CB 3.79Å; F698-H719 AromaticContact CD2-CG 3.63Å; F698-H719 AromaticContact CD2-ND1 3.55Å; F698-H719 HydrophobicContact CE2-CB 4.13Å; E715-H719 PolarHBondContact O-N 3.43Å; A716-H719 WeakPolarHBondContact O-CB 3.49Å; A716-H719 PolarHBondContact O-N 3.06Å; H719-W721 WeakPolarHBondContact ND1-CB 3.44Å; H719-W721 PolarHBondContact ND1-N 3.18Å; H719-W721 PolarHBondContact O-N 2.92Å; H719-W721 VanDerWaalsContact O-N 3.07Å; H719-L722 PolarHBondContact O-N 2.91Å; H719-S723 PolarHBondContact O-N 3.05Å; H719-S723 PolarHBondContact O-OG 2.9Å
720	P	98.1	Very high	96.3	Very high	64 Å²	64	46.9 Å²	46.9	42%	0.416	25%	0.249	S	C	.	.	H	α-helix	trans	-51.8	-36.8	-176	-29.8	35.9	0	0	0	114.2	E694 L722 S723 D724	E694-P720 HydrophobicContact CG-CB 4.45Å; P720-L722 VanDerWaalsContact C-N 3.29Å; P720-L722 PolarHBondContact O-N 3.01Å; P720-S723 PolarHBondContact O-N 3.32Å; P720-D724 HydrophobicContact CB-CB 4.38Å; P720-D724 WeakPolarHBondContact O-CB 3.36Å; P720-D724 PolarHBondContact O-N 3.39Å
721	W	98.3	Very high	96	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-54.7	-45	175.7	-172.5	58	0	0	0	113	E562 A565 V566 I569 T654 L658 E694 A695 F698 H719 H728	E562-W721 PolarHBondContact OE1-NE1 3.22Å; E562-W721 VanDerWaalsContact OE1-NE1 3.09Å; A565-W721 HydrophobicContact CB-CZ2 4.45Å; V566-W721 HydrophobicContact CG2-CD2 4.13Å; V566-W721 HydrophobicContact CG2-CH2 4.39Å; V566-W721 HydrophobicContact CG2-CZ2 3.66Å; I569-W721 HydrophobicContact CB-CH2 4.09Å; I569-W721 HydrophobicContact CB-CZ3 3.9Å; I569-W721 HydrophobicContact CG1-CH2 3.85Å; I569-W721 HydrophobicContact CG1-CZ3 4.02Å; I569-W721 HydrophobicContact CG2-CH2 4.44Å; I569-W721 HydrophobicContact CG2-CZ3 3.78Å; T654-W721 HydrophobicContact CG2-CH2 3.5Å; T654-W721 VanDerWaalsContact CG2-CH2 3.5Å; T654-W721 HydrophobicContact CG2-CZ2 4.4Å; T654-W721 HydrophobicContact CG2-CZ3 3.57Å; L658-W721 HydrophobicContact CD1-CZ2 4.24Å; L658-W721 HydrophobicContact CD2-CZ2 4.3Å; E694-W721 HydrophobicContact CB-CB 4Å; E694-W721 WeakPolarHBondContact O-CB 3.26Å; A695-W721 VanDerWaalsContact CA-CD1 3.42Å; A695-W721 HydrophobicContact CB-CD2 4.29Å; A695-W721 HydrophobicContact CB-CG 4.21Å; A695-W721 HydrophobicContact CB-CZ2 4.38Å; A695-W721 VanDerWaalsContact CB-NE1 3.28Å; A695-W721 VanDerWaalsContact N-CD1 3.34Å; F698-W721 HydrophobicContact CB-CB 4.09Å; F698-W721 HydrophobicContact CB-CD2 4.28Å; F698-W721 HydrophobicContact CB-CE3 3.93Å; F698-W721 HydrophobicContact CB-CG 4.36Å; F698-W721 AromaticContact CD1-CE3 3.53Å; F698-W721 HydrophobicContact CD1-CE3 3.53Å; F698-W721 AromaticContact CD1-CZ3 3.67Å; F698-W721 HydrophobicContact CD1-CZ3 3.67Å; F698-W721 HydrophobicContact CD2-CB 4.47Å; F698-W721 AromaticContact CD2-CE3 3.88Å; F698-W721 HydrophobicContact CD2-CE3 3.88Å; F698-W721 AromaticContact CE1-CE3 3.9Å; F698-W721 HydrophobicContact CE1-CE3 3.9Å; F698-W721 AromaticContact CE1-CZ3 3.75Å; F698-W721 HydrophobicContact CE1-CZ3 3.75Å; F698-W721 HydrophobicContact CE2-CE3 4.22Å; F698-W721 HydrophobicContact CG-CB 4.5Å; F698-W721 HydrophobicContact CG-CD2 4.32Å; F698-W721 AromaticContact CG-CE3 3.5Å; F698-W721 HydrophobicContact CG-CE3 3.5Å; F698-W721 HydrophobicContact CG-CZ3 4.15Å; F698-W721 HydrophobicContact CZ-CE3 4.23Å; F698-W721 HydrophobicContact CZ-CZ3 4.29Å; H719-W721 WeakPolarHBondContact ND1-CB 3.44Å; H719-W721 PolarHBondContact ND1-N 3.18Å; H719-W721 PolarHBondContact O-N 2.92Å; H719-W721 VanDerWaalsContact O-N 3.07Å; W721-H728 PolarHBondContact O-NE2 3.49Å
722	L	97.2	Very high	95.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-84.5	-33.6	177.8	-63.8	-170.2	0	0	0	112.2	V566 I569 R570 F698 A716 L717 H719 P720 H728	V566-L722 HydrophobicContact CG1-CD2 4.12Å; I569-L722 HydrophobicContact CB-CD2 4.28Å; I569-L722 HydrophobicContact CG2-CD1 4.14Å; I569-L722 HydrophobicContact CG2-CD2 4.08Å; R570-L722 PolarHBondContact NH2-O 3.34Å; F698-L722 HydrophobicContact CD2-CG 4.48Å; F698-L722 HydrophobicContact CE2-CD1 3.76Å; F698-L722 HydrophobicContact CE2-CG 3.89Å; F698-L722 HydrophobicContact CZ-CD1 3.87Å; F698-L722 HydrophobicContact CZ-CG 4.26Å; A716-L722 WeakPolarHBondContact O-CD1 3.42Å; L717-L722 HydrophobicContact CD2-CD1 4.49Å; H719-L722 PolarHBondContact O-N 2.91Å; P720-L722 VanDerWaalsContact C-N 3.29Å; P720-L722 PolarHBondContact O-N 3.01Å; L722-H728 PolarHBondContact O-CE1 3Å; L722-H728 PolarHBondContact O-NE2 3.18Å
723	S	96	Very high	94.8	Very high	56 Å²	56	51.7 Å²	51.7	39%	0.392	27%	0.267	S	S	.	.	H	α-helix	trans	-102.6	-22.4	-165.6	69.1	0	0	0	0	116.1	R718 H719 P720 S725	R718-S723 PolarHBondContact O-OG 2.62Å; H719-S723 PolarHBondContact O-N 3.05Å; H719-S723 PolarHBondContact O-OG 2.9Å; P720-S723 PolarHBondContact O-N 3.32Å; S723-S725 PolarHBondContact O-N 2.9Å
724	D	95.3	Very high	93.9	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.283	28%	0.277	S	S	.	.			trans	-82.4	106.4	-171.8	-179.7	15.4	0	0	0	113.1	P720 V726 L727 H728	P720-D724 HydrophobicContact CB-CB 4.38Å; P720-D724 WeakPolarHBondContact O-CB 3.36Å; P720-D724 PolarHBondContact O-N 3.39Å; D724-V726 PolarHBondContact O-N 3.37Å; D724-V726 WeakPolarHBondContact OD1-CB 3.18Å; D724-V726 PolarHBondContact OD1-N 2.91Å; D724-L727 HydrophobicContact CB-CB 4.02Å; D724-L727 WeakPolarHBondContact O-CB 3.27Å; D724-L727 PolarHBondContact O-N 2.89Å; D724-L727 PolarHBondContact OD2-N 2.87Å; D724-H728 PolarHBondContact O-CD2 2.89Å; D724-H728 VanDerWaalsContact O-CG 3.23Å; D724-H728 PolarHBondContact O-N 3.19Å; D724-H728 PolarHBondContact O-ND1 3.49Å
725	S	92.6	Very high	92.4	Very high	88 Å²	88	52.2 Å²	52.2	62%	0.615	26%	0.264	S	S	*	.	H	α-helix	trans	-59.1	-28.2	175.6	65.6	0	0	0	0	114.5	S723 H729	S723-S725 PolarHBondContact O-N 2.9Å; S725-H729 WeakPolarHBondContact O-CB 3.4Å; S725-H729 PolarHBondContact O-N 3.47Å
726	V	93.6	Very high	90.5	Very high	102 Å²	102	50.9 Å²	50.9	62%	0.618	26%	0.26	S	S	*	.	H	α-helix	trans	-72.6	-46.8	179.2	-179.6	0	0	0	0	109.8	D724 H728 H729 R730	D724-V726 PolarHBondContact O-N 3.37Å; D724-V726 WeakPolarHBondContact OD1-CB 3.18Å; D724-V726 PolarHBondContact OD1-N 2.91Å; V726-H728 VanDerWaalsContact C-N 3.32Å; V726-H728 PolarHBondContact O-N 3.47Å; V726-H729 PolarHBondContact O-N 2.93Å; V726-R730 PolarHBondContact O-N 3.29Å
727	L	94.4	Very high	88.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-54.4	-49.2	170	167.1	64.9	0	0	0	110.9	E694 D724 H729 R730 L731	E694-L727 HydrophobicContact CB-CD2 3.7Å; E694-L727 HydrophobicContact CG-CD2 3.87Å; D724-L727 HydrophobicContact CB-CB 4.02Å; D724-L727 WeakPolarHBondContact O-CB 3.27Å; D724-L727 PolarHBondContact O-N 2.89Å; D724-L727 PolarHBondContact OD2-N 2.87Å; L727-H729 VanDerWaalsContact C-N 3.3Å; L727-H729 PolarHBondContact O-N 3.27Å; L727-R730 WeakPolarHBondContact O-CA 3.35Å; L727-R730 WeakPolarHBondContact O-CB 3.45Å; L727-R730 PolarHBondContact O-N 2.88Å; L727-L731 HydrophobicContact CD1-CD1 4.09Å; L727-L731 HydrophobicContact CD1-CD2 4.32Å; L727-L731 HydrophobicContact CD1-CG 3.95Å; L727-L731 HydrophobicContact CG-CD1 4.14Å; L727-L731 HydrophobicContact CG-CG 4.37Å; L727-L731 WeakPolarHBondContact O-CG 3.42Å; L727-L731 PolarHBondContact O-N 3.39Å
728	H	94.3	Very high	85.7	Confident	11 Å²	11	63.4 Å²	63.4	5%	0.051	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-37.1	-178	-57	157	0	0	0	113.1	L439 L563 W721 L722 D724 V726 R730 L731 Y732	L439-H728 HydrophobicContact CD1-CB 3.43Å; L439-H728 VanDerWaalsContact CD1-CB 3.43Å; L563-H728 HydrophobicContact CD1-CB 3.87Å; W721-H728 PolarHBondContact O-NE2 3.49Å; L722-H728 PolarHBondContact O-CE1 3Å; L722-H728 PolarHBondContact O-NE2 3.18Å; D724-H728 PolarHBondContact O-CD2 2.89Å; D724-H728 VanDerWaalsContact O-CG 3.23Å; D724-H728 PolarHBondContact O-N 3.19Å; D724-H728 PolarHBondContact O-ND1 3.49Å; V726-H728 VanDerWaalsContact C-N 3.32Å; V726-H728 PolarHBondContact O-N 3.47Å; H728-R730 VanDerWaalsContact C-N 3.34Å; H728-L731 PolarHBondContact O-N 2.89Å; H728-Y732 WeakPolarHBondContact O-CB 3.26Å; H728-Y732 PolarHBondContact O-N 3.22Å
729	H	90.5	Very high	82.9	Confident	75 Å²	75	61 Å²	61	35%	0.347	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-40.7	173	-176.4	71.5	0	0	0	112.3	P437 S725 V726 L727 Y732 T733	P437-H729 WeakPolarHBondContact CD-ND1 3.34Å; P437-H729 HydrophobicContact CG-CB 4.15Å; P437-H729 WeakPolarHBondContact CG-ND1 3.27Å; S725-H729 WeakPolarHBondContact O-CB 3.4Å; S725-H729 PolarHBondContact O-N 3.47Å; V726-H729 PolarHBondContact O-N 2.93Å; L727-H729 VanDerWaalsContact C-N 3.3Å; L727-H729 PolarHBondContact O-N 3.27Å; H729-Y732 PolarHBondContact O-N 2.73Å; H729-T733 WeakPolarHBondContact O-CG2 3.46Å; H729-T733 PolarHBondContact O-N 3.41Å; H729-T733 PolarHBondContact O-OG1 3.16Å
730	R	91.3	Very high	79.6	Confident	123 Å²	123	71.6 Å²	71.6	46%	0.464	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-41.6	174.9	176.5	177	52.7	-178.9	-4.1	111.9	E694 V726 L727 H728 T733 K734	E694-R730 IonicContact OE1-CZ 3.5Å; E694-R730 IonicContact OE1-NH2 2.8Å; E694-R730 PolarHBondContact OE1-NH2 3.2Å; E694-R730 IonicContact OE2-NH2 3.94Å; V726-R730 PolarHBondContact O-N 3.29Å; L727-R730 WeakPolarHBondContact O-CA 3.35Å; L727-R730 WeakPolarHBondContact O-CB 3.45Å; L727-R730 PolarHBondContact O-N 2.88Å; H728-R730 VanDerWaalsContact C-N 3.34Å; R730-T733 WeakPolarHBondContact CA-OG1 3.48Å; R730-T733 PolarHBondContact O-N 3.32Å; R730-T733 PolarHBondContact O-OG1 2.78Å; R730-K734 WeakPolarHBondContact O-CB 3.48Å; R730-K734 PolarHBondContact O-N 3.43Å
731	L	91.1	Very high	76.4	Confident	16 Å²	16	76.5 Å²	76.5	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-44.8	175.9	-68.1	178.1	0	0	0	111.6	E562 L563 L727 H728 T733 K734 S735	E562-L731 HydrophobicContact CB-CD2 4.39Å; E562-L731 HydrophobicContact CG-CD1 4.04Å; E562-L731 HydrophobicContact CG-CD2 4.3Å; E562-L731 WeakPolarHBondContact OE2-CD2 3.41Å; L563-L731 HydrophobicContact CB-CB 4.37Å; L563-L731 HydrophobicContact CD1-CB 4.2Å; L563-L731 HydrophobicContact CD1-CD1 4.4Å; L727-L731 HydrophobicContact CD1-CD1 4.09Å; L727-L731 HydrophobicContact CD1-CD2 4.32Å; L727-L731 HydrophobicContact CD1-CG 3.95Å; L727-L731 HydrophobicContact CG-CD1 4.14Å; L727-L731 HydrophobicContact CG-CG 4.37Å; L727-L731 WeakPolarHBondContact O-CG 3.42Å; L727-L731 PolarHBondContact O-N 3.39Å; H728-L731 PolarHBondContact O-N 2.89Å; L731-T733 PolarHBondContact O-N 3.44Å; L731-K734 WeakPolarHBondContact O-CB 3.47Å; L731-K734 PolarHBondContact O-N 3.27Å; L731-S735 PolarHBondContact O-N 2.88Å
732	Y	87.1	Confident	73.1	Confident	83 Å²	83	83.1 Å²	83.1	33%	0.325	39%	0.391	S	S	.	.	H	α-helix	trans	-59.9	-47.2	175.8	179.6	-101.9	0	0	0	112.8	P437 L563 H728 H729 K734 S735 N736	P437-Y732 HydrophobicContact CB-CD1 3.58Å; P437-Y732 HydrophobicContact CB-CD2 3.65Å; P437-Y732 HydrophobicContact CB-CE1 4.04Å; P437-Y732 HydrophobicContact CB-CE2 4.11Å; P437-Y732 HydrophobicContact CB-CG 3.35Å; P437-Y732 HydrophobicContact CG-CD1 3.89Å; P437-Y732 HydrophobicContact CG-CG 3.89Å; L563-Y732 HydrophobicContact CD2-CD2 4.05Å; L563-Y732 HydrophobicContact CD2-CG 4.47Å; H728-Y732 WeakPolarHBondContact O-CB 3.26Å; H728-Y732 PolarHBondContact O-N 3.22Å; H729-Y732 PolarHBondContact O-N 2.73Å; Y732-K734 VanDerWaalsContact C-N 3.32Å; Y732-K734 PolarHBondContact O-N 3.17Å; Y732-S735 PolarHBondContact O-N 3.04Å; Y732-N736 WeakPolarHBondContact CE1-ND2 3.3Å; Y732-N736 VanDerWaalsContact CZ-ND2 3.29Å; Y732-N736 PolarHBondContact O-N 3.35Å; Y732-N736 VanDerWaalsContact O-N 3.12Å; Y732-N736 PolarHBondContact OH-ND2 3.05Å
733	T	83.8	Confident	70.3	Confident	46 Å²	46	89 Å²	89	28%	0.282	43%	0.432	S	S	.	.	H	α-helix	trans	-71.7	-25.6	179.5	54.3	0	0	0	0	113.1	H729 R730 L731 R737	H729-T733 WeakPolarHBondContact O-CG2 3.46Å; H729-T733 PolarHBondContact O-N 3.41Å; H729-T733 PolarHBondContact O-OG1 3.16Å; R730-T733 WeakPolarHBondContact CA-OG1 3.48Å; R730-T733 PolarHBondContact O-N 3.32Å; R730-T733 PolarHBondContact O-OG1 2.78Å; L731-T733 PolarHBondContact O-N 3.44Å; T733-R737 WeakPolarHBondContact O-CG 3.46Å; T733-R737 PolarHBondContact O-NE 2.91Å; T733-R737 VanDerWaalsContact O-NE 3.16Å
734	K	78.3	Confident	67.1	Low	59 Å²	59	91.5 Å²	91.5	26%	0.257	45%	0.448	S	S	.	.	H	α-helix	trans	-63.9	-54.6	168.5	-171.5	177.3	177.6	178.7	0	109	D690 R730 L731 Y732 N736 R737 Y738	D690-K734 PolarHBondContact O-NZ 2.92Å; D690-K734 IonicContact OD1-NZ 3.5Å; D690-K734 PolarHBondContact OD1-NZ 3.39Å; R730-K734 WeakPolarHBondContact O-CB 3.48Å; R730-K734 PolarHBondContact O-N 3.43Å; L731-K734 WeakPolarHBondContact O-CB 3.47Å; L731-K734 PolarHBondContact O-N 3.27Å; Y732-K734 VanDerWaalsContact C-N 3.32Å; Y732-K734 PolarHBondContact O-N 3.17Å; K734-N736 PolarHBondContact O-N 3.1Å; K734-R737 WeakPolarHBondContact O-CB 3.35Å; K734-R737 PolarHBondContact O-N 3.21Å; K734-Y738 HydrophobicContact CD-CE2 4.27Å; K734-Y738 HydrophobicContact CG-CD2 4.07Å; K734-Y738 HydrophobicContact CG-CE2 3.55Å; K734-Y738 WeakPolarHBondContact O-CD2 3.46Å; K734-Y738 PolarHBondContact O-N 3.2Å
735	S	67.4	Low	64.1	Low	21 Å²	21	97.6 Å²	97.6	15%	0.147	48%	0.475	C	S	.	.	H	α-helix	trans	-55.7	-47.6	-179	175	0	0	0	0	113.8	M561 L731 Y732 R737 Y738 L739	M561-S735 WeakPolarHBondContact SD-CB 3.3Å; M561-S735 PolarHBondContact SD-OG 3.49Å; L731-S735 PolarHBondContact O-N 2.88Å; Y732-S735 PolarHBondContact O-N 3.04Å; S735-R737 PolarHBondContact O-N 3.43Å; S735-Y738 PolarHBondContact O-N 3.35Å; S735-L739 PolarHBondContact O-N 3.12Å; S735-L739 VanDerWaalsContact O-N 3.1Å
736	N	58.4	Low	61	Low	70 Å²	70	97.6 Å²	97.6	37%	0.374	48%	0.48	S	S	.	.	H	α-helix	trans	-62	-20.4	179.5	-80.7	-11.1	0	0	0	113.8	Y732 K734	Y732-N736 WeakPolarHBondContact CE1-ND2 3.3Å; Y732-N736 VanDerWaalsContact CZ-ND2 3.29Å; Y732-N736 PolarHBondContact O-N 3.35Å; Y732-N736 VanDerWaalsContact O-N 3.12Å; Y732-N736 PolarHBondContact OH-ND2 3.05Å; K734-N736 PolarHBondContact O-N 3.1Å
737	R	49.8	Very low	57.8	Low	167 Å²	167	99 Å²	99	63%	0.63	49%	0.489	S	S	*	.	H	α-helix	trans	-81.5	-26.9	174.6	-76.5	-175.8	-76.2	177.8	-1.9	113.5	T733 K734 S735	T733-R737 WeakPolarHBondContact O-CG 3.46Å; T733-R737 PolarHBondContact O-NE 2.91Å; T733-R737 VanDerWaalsContact O-NE 3.16Å; K734-R737 WeakPolarHBondContact O-CB 3.35Å; K734-R737 PolarHBondContact O-N 3.21Å; S735-R737 PolarHBondContact O-N 3.43Å
738	Y	45.3	Very low	54.8	Low	117 Å²	117	110.3 Å²	110.3	46%	0.459	54%	0.538	S	S	.	.	H	α-helix	trans	-85.4	-33.6	177.1	-71.2	-86.2	0	0	0	112.4	K734 S735 W740 K741 H742	K734-Y738 HydrophobicContact CD-CE2 4.27Å; K734-Y738 HydrophobicContact CG-CD2 4.07Å; K734-Y738 HydrophobicContact CG-CE2 3.55Å; K734-Y738 WeakPolarHBondContact O-CD2 3.46Å; K734-Y738 PolarHBondContact O-N 3.2Å; S735-Y738 PolarHBondContact O-N 3.35Å; Y738-W740 PolarHBondContact O-N 3.02Å; Y738-K741 PolarHBondContact O-N 3.48Å; Y738-H742 PolarHBondContact O-N 3.34Å
739	L	39.6	Very low	52.8	Low	121 Å²	121	115.3 Å²	115.3	63%	0.634	56%	0.563	S	S	*	*	H	α-helix	trans	-60.5	-26.2	171	-78.2	164	0	0	0	113	S735 K741	S735-L739 PolarHBondContact O-N 3.12Å; S735-L739 VanDerWaalsContact O-N 3.1Å; L739-K741 VanDerWaalsContact C-N 3.32Å
740	W	28.7	Very low	50.9	Low	231 Å²	231	117.4 Å²	117.4	88%	0.875	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-7.7	172.7	-106.1	81.3	0	0	0	114.4	Y738	Y738-W740 PolarHBondContact O-N 3.02Å
741	K	30.6	Very low	48.6	Very low	167 Å²	167	117.1 Å²	117.1	73%	0.726	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	-22.9	-174.3	-83.6	-173.3	173.3	-175.5	0	115.7	Y738 L739	Y738-K741 PolarHBondContact O-N 3.48Å; L739-K741 VanDerWaalsContact C-N 3.32Å
742	H	30.6	Very low	46.1	Very low	140 Å²	140	123 Å²	123	65%	0.648	61%	0.61	S	S	*	*			trans	-143.1	102.8	-178.3	-70.8	-70.4	0	0	0	113.4	Y738	Y738-H742 PolarHBondContact O-N 3.34Å
743	S	36.7	Very low	43.6	Very low	123 Å²	123	125.5 Å²	125.5	86%	0.86	63%	0.627	S	S	*	*			trans	-85.8	94.4	148.3	176.7	0	0	0	0	107.2
744	C	28.8	Very low	40.9	Very low	108 Å²	108	130.8 Å²	130.8	73%	0.73	65%	0.65	S	S	*	*			trans	-166.7	112.7	168.2	-82.5	0	0	0	0	106.8
745	H	32.5	Very low	38.2	Very low	181 Å²	181	135.9 Å²	135.9	84%	0.838	68%	0.678	S	S	*	*				61.6	134.9	75.2	-102.2	79.5	0	0	0	117.2
746	A	28	Very low	36	Very low	88 Å²	88	144.8 Å²	144.8	73%	0.727	72%	0.719	S	S	*	*			trans	76.7	131.7	169.9	0	0	0	0	0	115.3
747	T	27.3	Very low	34.1	Very low	132 Å²	132	151 Å²	151	81%	0.81	75%	0.748	S	S	*	*			cis	-163.3	136.1	27.4	-33	0	0	0	0	108.8
748	F	31.1	Very low	32.7	Very low	237 Å²	237	149.5 Å²	149.5	100%	1.039	76%	0.759	S	S	*	*			trans	-139.8	0	157.8	-106.3	-78.4	0	0	0	108.5

Retrieved 748 of 748 residues in 698.4 ms (Link to these results)

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