A0A3Q0KTH2_SCHMA Loading...

Homeobox protein aristaless-related

AlphaFold DB , UniProt , Accession A0A3Q0KTH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 621 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	37.7	Very low	115 Å²	115	96.8 Å²	96.8	57%	0.567	52%	0.518	S	S	*	.				0	-83.9	0	-74.1	-157.3	-98.4	0	0	111.1	N3 T4 F5	M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 3.41Å; M1-T4 PolarHBondContact O-N 2.94Å; M1-T4 PolarHBondContact O-OG1 3.32Å; M1-F5 HydrophobicContact CB-CE2 4.11Å; M1-F5 HydrophobicContact CG-CE2 4.49Å; M1-F5 WeakPolarHBondContact O-CD2 3.17Å; M1-F5 PolarHBondContact O-N 3.33Å
2	N	30.4	Very low	38.8	Very low	130 Å²	130	92.3 Å²	92.3	70%	0.695	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-53.7	-36.4	-173.4	-66.3	13.3	0	0	0	115	T4 F5	N2-T4 VanDerWaalsContact C-N 3.31Å; N2-T4 PolarHBondContact O-N 3.2Å; N2-F5 PolarHBondContact O-N 3.09Å; N2-F5 VanDerWaalsContact O-N 3.15Å
3	N	35.9	Very low	39.6	Very low	168 Å²	168	86.6 Å²	86.6	90%	0.898	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-72.5	-16.3	177.2	-63.8	11.3	0	0	0	114.9	M1	M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 3.41Å
4	T	39.7	Very low	40.1	Very low	87 Å²	87	83.3 Å²	83.3	53%	0.534	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-89.9	-11.5	170.5	39.9	0	0	0	0	112.5	M1 N2 S6	M1-T4 PolarHBondContact O-N 2.94Å; M1-T4 PolarHBondContact O-OG1 3.32Å; N2-T4 VanDerWaalsContact C-N 3.31Å; N2-T4 PolarHBondContact O-N 3.2Å; T4-S6 PolarHBondContact O-N 3.21Å
5	F	38.7	Very low	41.2	Very low	50 Å²	50	80.4 Å²	80.4	22%	0.219	44%	0.436	C	S	.	.			trans	-91.2	72.7	172.9	-67.2	-69.7	0	0	0	110.6	M1 N2 L11 L44	M1-F5 HydrophobicContact CB-CE2 4.11Å; M1-F5 HydrophobicContact CG-CE2 4.49Å; M1-F5 WeakPolarHBondContact O-CD2 3.17Å; M1-F5 PolarHBondContact O-N 3.33Å; N2-F5 PolarHBondContact O-N 3.09Å; N2-F5 VanDerWaalsContact O-N 3.15Å; F5-L11 HydrophobicContact CE1-CD1 4.16Å; F5-L44 HydrophobicContact CD1-CB 4.39Å; F5-L44 HydrophobicContact CD1-CD2 4.44Å; F5-L44 HydrophobicContact CD2-CD2 3.84Å; F5-L44 HydrophobicContact CE1-CB 3.79Å; F5-L44 HydrophobicContact CE1-CD2 4.39Å; F5-L44 HydrophobicContact CE1-CG 4.45Å; F5-L44 HydrophobicContact CE2-CB 4.39Å; F5-L44 HydrophobicContact CE2-CD1 3.71Å; F5-L44 HydrophobicContact CE2-CD2 3.8Å; F5-L44 HydrophobicContact CE2-CG 4.18Å; F5-L44 HydrophobicContact CG-CD2 4.21Å; F5-L44 HydrophobicContact CZ-CB 3.82Å; F5-L44 HydrophobicContact CZ-CD1 3.69Å; F5-L44 HydrophobicContact CZ-CD2 4.1Å; F5-L44 HydrophobicContact CZ-CG 4.07Å
6	S	34.3	Very low	42.2	Very low	63 Å²	63	75.5 Å²	75.5	44%	0.441	41%	0.41	S	S	.	.			trans	-75.8	132.7	161.1	57.6	0	0	0	0	109.3	T4 N8 N9	T4-S6 PolarHBondContact O-N 3.21Å; S6-N8 PolarHBondContact O-N 3.07Å; S6-N9 PolarHBondContact O-N 3.12Å; S6-N9 VanDerWaalsContact O-N 3.09Å; S6-N9 PolarHBondContact OG-ND2 3.25Å
7	E	37.2	Very low	43.1	Very low	149 Å²	149	73.2 Å²	73.2	70%	0.696	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-7	-162.5	-61.3	176.9	135.5	0	0	116.4
8	N	38.2	Very low	44	Very low	136 Å²	136	73.7 Å²	73.7	73%	0.727	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-5.1	-176	-67.3	-58.3	0	0	0	114.4	S6	S6-N8 PolarHBondContact O-N 3.07Å
9	N	39.4	Very low	44.8	Very low	117 Å²	117	70.3 Å²	70.3	63%	0.626	38%	0.382	S	S	*	.			trans	-97.4	104.9	-176.8	-78.1	-7.7	0	0	0	111.6	S6 L11	S6-N9 PolarHBondContact O-N 3.12Å; S6-N9 VanDerWaalsContact O-N 3.09Å; S6-N9 PolarHBondContact OG-ND2 3.25Å; N9-L11 PolarHBondContact O-N 3.15Å
10	V	44.1	Very low	45.5	Very low	40 Å²	40	67 Å²	67	24%	0.242	36%	0.364	C	S	.	.			trans	-50.8	134.4	162.1	177.6	0	0	0	0	108.7	N12	V10-N12 VanDerWaalsContact C-N 3.26Å; V10-N12 PolarHBondContact O-N 3.23Å
11	L	45.4	Very low	46.2	Very low	10 Å²	10	67.1 Å²	67.1	5%	0.052	36%	0.364	C	S	.	.			trans	-62	88	169.4	-83.6	166.1	0	0	0	109.6	F5 N9 M16 N45	F5-L11 HydrophobicContact CE1-CD1 4.16Å; N9-L11 PolarHBondContact O-N 3.15Å; L11-M16 HydrophobicContact CB-SD 4.07Å; L11-M16 HydrophobicContact CD1-CE 4.4Å; L11-M16 HydrophobicContact CD1-SD 3.91Å; L11-M16 HydrophobicContact CG-SD 4.42Å; L11-N45 WeakPolarHBondContact CD1-ND2 3.41Å
12	N	50.6	Low	47.7	Very low	43 Å²	43	64.3 Å²	64.3	23%	0.23	35%	0.354	C	S	.	.			trans	-63.1	164.3	166.6	70.9	2.6	0	0	0	109.2	V10 D14 S15 M16	V10-N12 VanDerWaalsContact C-N 3.26Å; V10-N12 PolarHBondContact O-N 3.23Å; N12-D14 PolarHBondContact O-N 3.49Å; N12-D14 PolarHBondContact OD1-N 2.88Å; N12-S15 PolarHBondContact O-N 3.1Å; N12-S15 WeakPolarHBondContact OD1-CB 3.44Å; N12-S15 PolarHBondContact OD1-N 3.45Å; N12-S15 PolarHBondContact OD1-OG 3.17Å; N12-M16 PolarHBondContact O-N 3.38Å
13	S	48.6	Very low	49.2	Very low	18 Å²	18	58.7 Å²	58.7	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-51.8	-37.3	-177.8	-175.4	0	0	0	0	112.7	T17	S13-T17 WeakPolarHBondContact O-CB 3.43Å; S13-T17 PolarHBondContact O-N 3.5Å; S13-T17 PolarHBondContact O-OG1 3.13Å
14	D	47.5	Very low	50.4	Low	40 Å²	40	52.1 Å²	52.1	21%	0.214	29%	0.288	C	S	.	.	H	α-helix	trans	-72.9	-41.3	-177.8	-53.4	-39.9	0	0	0	111	N12 T17 I18 L124 E125	N12-D14 PolarHBondContact O-N 3.49Å; N12-D14 PolarHBondContact OD1-N 2.88Å; D14-T17 CarbonylContact O-C 3.49Å; D14-T17 PolarHBondContact O-N 2.91Å; D14-I18 WeakPolarHBondContact O-CB 3.43Å; D14-I18 WeakPolarHBondContact O-CD1 3.36Å; D14-I18 WeakPolarHBondContact O-CG1 3.39Å; D14-I18 PolarHBondContact O-N 3.4Å; D14-L124 PolarHBondContact OD2-N 3.09Å; D14-E125 HydrophobicContact CB-CG 4.43Å
15	S	55.9	Low	51.4	Low	40 Å²	40	52.2 Å²	52.2	28%	0.28	29%	0.285	S	S	.	.	H	α-helix	trans	-69.2	-35.9	175.2	-57.5	0	0	0	0	112.4	N12 C19	N12-S15 PolarHBondContact O-N 3.1Å; N12-S15 WeakPolarHBondContact OD1-CB 3.44Å; N12-S15 PolarHBondContact OD1-N 3.45Å; N12-S15 PolarHBondContact OD1-OG 3.17Å; S15-C19 WeakPolarHBondContact O-CB 3.41Å; S15-C19 PolarHBondContact O-N 2.6Å; S15-C19 PolarHBondContact O-SG 3.13Å
16	M	56.8	Low	52.5	Low	2 Å²	2	55.6 Å²	55.6	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-46.7	171	-159.9	93.8	-148.3	0	0	109.9	L11 N12 I18 C19 L20 F60 F81	L11-M16 HydrophobicContact CB-SD 4.07Å; L11-M16 HydrophobicContact CD1-CE 4.4Å; L11-M16 HydrophobicContact CD1-SD 3.91Å; L11-M16 HydrophobicContact CG-SD 4.42Å; N12-M16 PolarHBondContact O-N 3.38Å; M16-I18 PolarHBondContact O-N 2.85Å; M16-C19 PolarHBondContact O-N 2.71Å; M16-L20 HydrophobicContact CG-CD1 3.89Å; M16-L20 WeakPolarHBondContact O-CB 3.47Å; M16-L20 WeakPolarHBondContact O-CD1 3.45Å; M16-L20 WeakPolarHBondContact O-CG 3.42Å; M16-L20 PolarHBondContact O-N 3.08Å; M16-F60 HydrophobicContact CE-CE1 4.46Å; M16-F60 HydrophobicContact CE-CZ 3.67Å; M16-F81 HydrophobicContact CB-CE1 4.22Å; M16-F81 HydrophobicContact CB-CE2 4.01Å; M16-F81 HydrophobicContact CB-CZ 3.8Å; M16-F81 HydrophobicContact CG-CD2 3.85Å; M16-F81 HydrophobicContact CG-CE1 4.45Å; M16-F81 HydrophobicContact CG-CE2 3.62Å; M16-F81 HydrophobicContact CG-CG 4.37Å; M16-F81 HydrophobicContact CG-CZ 3.94Å; M16-F81 HydrophobicContact SD-CD2 3.99Å; M16-F81 HydrophobicContact SD-CE2 3.55Å; M16-F81 VanDerWaalsContact SD-CE2 3.55Å; M16-F81 HydrophobicContact SD-CZ 4.27Å
17	T	57.6	Low	53.7	Low	36 Å²	36	54.9 Å²	54.9	22%	0.221	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-41.4	176.7	-61.4	0	0	0	0	111.6	S13 D14 L20 N21 M78	S13-T17 WeakPolarHBondContact O-CB 3.43Å; S13-T17 PolarHBondContact O-N 3.5Å; S13-T17 PolarHBondContact O-OG1 3.13Å; D14-T17 CarbonylContact O-C 3.49Å; D14-T17 PolarHBondContact O-N 2.91Å; T17-L20 PolarHBondContact O-N 3.37Å; T17-N21 VanDerWaalsContact O-CB 3.22Å; T17-N21 WeakPolarHBondContact O-CB 3.29Å; T17-N21 PolarHBondContact O-N 3.31Å; T17-N21 PolarHBondContact O-ND2 3.39Å; T17-M78 HydrophobicContact CG2-CE 4.29Å
18	I	60.3	Low	54.6	Low	83 Å²	83	55 Å²	55	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-62.9	-46.2	173.8	-71.9	160.6	0	0	0	110.3	D14 M16 L20 T22	D14-I18 WeakPolarHBondContact O-CB 3.43Å; D14-I18 WeakPolarHBondContact O-CD1 3.36Å; D14-I18 WeakPolarHBondContact O-CG1 3.39Å; D14-I18 PolarHBondContact O-N 3.4Å; M16-I18 PolarHBondContact O-N 2.85Å; I18-L20 VanDerWaalsContact C-N 3.35Å; I18-L20 PolarHBondContact O-N 2.93Å; I18-T22 WeakPolarHBondContact O-CB 3.44Å; I18-T22 PolarHBondContact O-N 3.29Å; I18-T22 PolarHBondContact O-OG1 3.1Å
19	C	58	Low	55.4	Low	9 Å²	9	55.9 Å²	55.9	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-39.9	177.3	-72.5	0	0	0	0	112.3	S15 M16 Y23 F41	S15-C19 WeakPolarHBondContact O-CB 3.41Å; S15-C19 PolarHBondContact O-N 2.6Å; S15-C19 PolarHBondContact O-SG 3.13Å; M16-C19 PolarHBondContact O-N 2.71Å; C19-Y23 VanDerWaalsContact O-CB 3.3Å; C19-Y23 WeakPolarHBondContact O-CB 3.5Å; C19-Y23 PolarHBondContact O-N 3.13Å; C19-F41 HydrophobicContact CB-CE1 4.34Å
20	L	60.3	Low	56.2	Low	4 Å²	4	56 Å²	56	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-73.8	-39.4	179.5	-66	166.6	0	0	0	111.9	M16 T17 I18 Y23 L24 L74 M78	M16-L20 HydrophobicContact CG-CD1 3.89Å; M16-L20 WeakPolarHBondContact O-CB 3.47Å; M16-L20 WeakPolarHBondContact O-CD1 3.45Å; M16-L20 WeakPolarHBondContact O-CG 3.42Å; M16-L20 PolarHBondContact O-N 3.08Å; T17-L20 PolarHBondContact O-N 3.37Å; I18-L20 VanDerWaalsContact C-N 3.35Å; I18-L20 PolarHBondContact O-N 2.93Å; L20-Y23 WeakPolarHBondContact O-CB 3.31Å; L20-Y23 PolarHBondContact O-N 3.37Å; L20-L24 WeakPolarHBondContact O-CG 3.25Å; L20-L24 PolarHBondContact O-N 3.25Å; L20-L74 HydrophobicContact CB-CD2 4.32Å; L20-L74 HydrophobicContact CD2-CD1 3.63Å; L20-L74 HydrophobicContact CD2-CG 4.29Å; L20-M78 HydrophobicContact CD1-CG 3.8Å
21	N	59.8	Low	57	Low	69 Å²	69	60.5 Å²	60.5	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-65.9	-45.3	172.2	-71.6	-13.8	0	0	0	111	T17 Y23 L24 D25	T17-N21 VanDerWaalsContact O-CB 3.22Å; T17-N21 WeakPolarHBondContact O-CB 3.29Å; T17-N21 PolarHBondContact O-N 3.31Å; T17-N21 PolarHBondContact O-ND2 3.39Å; N21-Y23 PolarHBondContact O-N 3.22Å; N21-L24 WeakPolarHBondContact O-CB 3.49Å; N21-L24 PolarHBondContact O-N 3.01Å; N21-D25 PolarHBondContact O-N 2.98Å
22	T	63.6	Low	57.8	Low	56 Å²	56	64 Å²	64	34%	0.344	33%	0.328	S	S	.	.	H	α-helix	trans	-59.6	-35.1	173.3	-56.5	0	0	0	0	110.8	I18 N26	I18-T22 WeakPolarHBondContact O-CB 3.44Å; I18-T22 PolarHBondContact O-N 3.29Å; I18-T22 PolarHBondContact O-OG1 3.1Å; T22-N26 WeakPolarHBondContact CG2-ND2 3.4Å; T22-N26 WeakPolarHBondContact O-CB 3.47Å; T22-N26 PolarHBondContact O-N 3.06Å; T22-N26 VanDerWaalsContact O-N 3.1Å; T22-N26 PolarHBondContact O-ND2 2.81Å
23	Y	61.5	Low	58.3	Low	13 Å²	13	62 Å²	62	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-69.6	-41.6	173.4	-180	-84.1	0	0	0	112.2	C19 L20 N21 N27 I33 Q37 F41	C19-Y23 VanDerWaalsContact O-CB 3.3Å; C19-Y23 WeakPolarHBondContact O-CB 3.5Å; C19-Y23 PolarHBondContact O-N 3.13Å; L20-Y23 WeakPolarHBondContact O-CB 3.31Å; L20-Y23 PolarHBondContact O-N 3.37Å; N21-Y23 PolarHBondContact O-N 3.22Å; Y23-N27 WeakPolarHBondContact CD2-ND2 3.36Å; Y23-N27 HydrophobicContact CE1-CB 4.44Å; Y23-N27 VanDerWaalsContact CE2-ND2 3.31Å; Y23-N27 WeakPolarHBondContact CE2-ND2 3.03Å; Y23-N27 WeakPolarHBondContact O-CB 3.48Å; Y23-N27 PolarHBondContact O-N 2.85Å; Y23-N27 VanDerWaalsContact O-N 3.09Å; Y23-N27 PolarHBondContact O-ND2 3.41Å; Y23-I33 HydrophobicContact CD1-CD1 4.11Å; Y23-I33 HydrophobicContact CD1-CG1 4.22Å; Y23-I33 HydrophobicContact CE1-CD1 3.86Å; Y23-I33 HydrophobicContact CE1-CG1 3.5Å; Y23-I33 VanDerWaalsContact CE1-CG1 3.5Å; Y23-Q37 PolarHBondContact OH-NE2 3.35Å; Y23-Q37 VanDerWaalsContact OH-NE2 3.08Å; Y23-Q37 PolarHBondContact OH-OE1 3.33Å; Y23-Q37 VanDerWaalsContact OH-OE1 3.13Å; Y23-F41 AromaticContact CD2-CE2 3.89Å; Y23-F41 HydrophobicContact CD2-CE2 3.89Å; Y23-F41 AromaticContact CD2-CZ 3.72Å; Y23-F41 HydrophobicContact CD2-CZ 3.72Å; Y23-F41 HydrophobicContact CE2-CE2 4.22Å; Y23-F41 HydrophobicContact CE2-CZ 4.49Å; Y23-F41 HydrophobicContact CG-CE2 4.33Å; Y23-F41 AromaticContact CG-CZ 4Å; Y23-F41 HydrophobicContact CG-CZ 4Å
24	L	61.8	Low	59	Low	29 Å²	29	64.6 Å²	64.6	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-49.4	174.2	-76.5	172	0	0	0	111.7	L20 N21 N26 N27 N28 Y29 L74	L20-L24 WeakPolarHBondContact O-CG 3.25Å; L20-L24 PolarHBondContact O-N 3.25Å; N21-L24 WeakPolarHBondContact O-CB 3.49Å; N21-L24 PolarHBondContact O-N 3.01Å; L24-N26 PolarHBondContact O-N 3.06Å; L24-N27 CarbonylContact O-C 3.57Å; L24-N27 PolarHBondContact O-N 3.18Å; L24-N28 PolarHBondContact O-N 2.93Å; L24-Y29 HydrophobicContact CB-CD1 4.05Å; L24-Y29 HydrophobicContact CB-CE1 4.38Å; L24-Y29 PolarHBondContact O-N 3.14Å; L24-L74 HydrophobicContact CD1-CD2 3.77Å; L24-L74 HydrophobicContact CD2-CD2 3.52Å; L24-L74 HydrophobicContact CG-CD2 3.41Å; L24-L74 VanDerWaalsContact CG-CD2 3.41Å
25	D	59.6	Low	59.4	Low	90 Å²	90	64.6 Å²	64.6	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-40.6	-178.5	-67	-31.2	0	0	0	111.2	N21 N27 Y29	N21-D25 PolarHBondContact O-N 2.98Å; D25-N27 VanDerWaalsContact C-N 3.33Å; D25-N27 PolarHBondContact O-N 3.43Å; D25-Y29 WeakPolarHBondContact OD1-CE1 3.27Å; D25-Y29 PolarHBondContact OD1-OH 3.45Å
26	N	63.1	Low	59.5	Low	121 Å²	121	68.5 Å²	68.5	65%	0.647	35%	0.349	S	S	*	.	H	α-helix	trans	-72.7	-19.3	176.7	-77.5	-61.8	0	0	0	114.4	T22 L24	T22-N26 WeakPolarHBondContact CG2-ND2 3.4Å; T22-N26 WeakPolarHBondContact O-CB 3.47Å; T22-N26 PolarHBondContact O-N 3.06Å; T22-N26 VanDerWaalsContact O-N 3.1Å; T22-N26 PolarHBondContact O-ND2 2.81Å; L24-N26 PolarHBondContact O-N 3.06Å
27	N	59.4	Low	59.8	Low	47 Å²	47	71.2 Å²	71.2	25%	0.251	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	29.4	-178.7	-64.9	-81.3	0	0	0	112.9	Y23 L24 D25 Y29 Q30	Y23-N27 WeakPolarHBondContact CD2-ND2 3.36Å; Y23-N27 HydrophobicContact CE1-CB 4.44Å; Y23-N27 VanDerWaalsContact CE2-ND2 3.31Å; Y23-N27 WeakPolarHBondContact CE2-ND2 3.03Å; Y23-N27 WeakPolarHBondContact O-CB 3.48Å; Y23-N27 PolarHBondContact O-N 2.85Å; Y23-N27 VanDerWaalsContact O-N 3.09Å; Y23-N27 PolarHBondContact O-ND2 3.41Å; L24-N27 CarbonylContact O-C 3.57Å; L24-N27 PolarHBondContact O-N 3.18Å; D25-N27 VanDerWaalsContact C-N 3.33Å; D25-N27 PolarHBondContact O-N 3.43Å; N27-Y29 VanDerWaalsContact C-N 3.26Å; N27-Y29 PolarHBondContact O-N 3.35Å; N27-Q30 HydrophobicContact CB-CB 4.23Å; N27-Q30 WeakPolarHBondContact O-CB 3.32Å; N27-Q30 PolarHBondContact O-N 3.11Å
28	N	55.2	Low	59.9	Low	152 Å²	152	69.8 Å²	69.8	81%	0.813	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	43	178.6	-71.3	-29.7	0	0	0	113.4	L24 Q30	L24-N28 PolarHBondContact O-N 2.93Å; N28-Q30 PolarHBondContact O-N 3.05Å
29	Y	54.8	Low	59.6	Low	154 Å²	154	70 Å²	70	60%	0.604	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	27.9	-175.8	-55.9	-73.5	0	0	0	114.8	L24 D25 N27 K31	L24-Y29 HydrophobicContact CB-CD1 4.05Å; L24-Y29 HydrophobicContact CB-CE1 4.38Å; L24-Y29 PolarHBondContact O-N 3.14Å; D25-Y29 WeakPolarHBondContact OD1-CE1 3.27Å; D25-Y29 PolarHBondContact OD1-OH 3.45Å; N27-Y29 VanDerWaalsContact C-N 3.26Å; N27-Y29 PolarHBondContact O-N 3.35Å; Y29-K31 PolarHBondContact O-N 2.81Å
30	Q	56.3	Low	59.6	Low	119 Å²	119	75 Å²	75	56%	0.556	38%	0.376	S	S	*	.			trans	-59	101.6	165	-92.1	-172.9	-29.5	0	0	109.6	N27 N28 L32	N27-Q30 HydrophobicContact CB-CB 4.23Å; N27-Q30 WeakPolarHBondContact O-CB 3.32Å; N27-Q30 PolarHBondContact O-N 3.11Å; N28-Q30 PolarHBondContact O-N 3.05Å; Q30-L32 PolarHBondContact O-N 3.4Å
31	K	60.2	Low	59.2	Low	135 Å²	135	75.3 Å²	75.3	59%	0.587	38%	0.377	S	S	*	.			trans	-65.6	-3	176.1	-68.3	179.1	177.9	172.4	0	113.8	Y29 D73 L74	Y29-K31 PolarHBondContact O-N 2.81Å; K31-D73 CarbonylContact O-C 3.59Å; K31-D73 WeakPolarHBondContact O-CA 3.36Å; K31-L74 PolarHBondContact O-N 2.85Å
32	L	62	Low	58.9	Low	84 Å²	84	73.9 Å²	73.9	44%	0.44	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.9	-168.1	-63.2	176.6	0	0	0	109	Q30	Q30-L32 PolarHBondContact O-N 3.4Å
33	I	61.9	Low	58.2	Low	1 Å²	1	76.7 Å²	76.7	1%	0.005	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.6	171.5	-80.7	-172.5	0	0	0	109	Y23 Q37 L38 F41 I72 L74	Y23-I33 HydrophobicContact CD1-CD1 4.11Å; Y23-I33 HydrophobicContact CD1-CG1 4.22Å; Y23-I33 HydrophobicContact CE1-CD1 3.86Å; Y23-I33 HydrophobicContact CE1-CG1 3.5Å; Y23-I33 VanDerWaalsContact CE1-CG1 3.5Å; I33-Q37 HydrophobicContact CG2-CB 3.94Å; I33-L38 HydrophobicContact CG2-CB 3.73Å; I33-L38 HydrophobicContact CG2-CD1 3.95Å; I33-L38 HydrophobicContact CG2-CG 4.48Å; I33-F41 HydrophobicContact CD1-CD2 4.19Å; I33-F41 HydrophobicContact CD1-CE2 3.72Å; I33-I72 PolarHBondContact N-O 2.91Å; I33-I72 PolarHBondContact O-N 3.16Å; I33-L74 HydrophobicContact CD1-CD1 3.24Å; I33-L74 HydrophobicContact CG1-CD1 3.82Å
34	T	63.4	Low	57.3	Low	72 Å²	72	79.3 Å²	79.3	44%	0.442	40%	0.397	S	S	.	.			trans	-74.8	155	169.9	63.2	0	0	0	0	110.7	E36 Q37 L38	T34-E36 PolarHBondContact O-N 2.89Å; T34-E36 VanDerWaalsContact O-N 3.12Å; T34-Q37 PolarHBondContact O-N 3.11Å; T34-Q37 VanDerWaalsContact O-N 3.1Å; T34-Q37 WeakPolarHBondContact OG1-CB 3.4Å; T34-Q37 VanDerWaalsContact OG1-CG 3.31Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.45Å; T34-Q37 PolarHBondContact OG1-N 3.12Å; T34-Q37 PolarHBondContact OG1-OE1 2.95Å; T34-L38 PolarHBondContact O-N 3.39Å
35	S	56.7	Low	56.5	Low	40 Å²	40	78.5 Å²	78.5	28%	0.28	39%	0.393	S	S	.	.	H	α-helix	trans	-57.3	-30.2	179.8	-163.7	0	0	0	0	113.6	N39	S35-N39 PolarHBondContact O-N 2.92Å
36	E	58.1	Low	55.7	Low	123 Å²	123	81.3 Å²	81.3	58%	0.575	40%	0.403	S	S	*	.	H	α-helix	trans	-74.7	-40.9	177.7	-162.1	-158.2	130.5	0	0	112	T34 L38 N39 K40	T34-E36 PolarHBondContact O-N 2.89Å; T34-E36 VanDerWaalsContact O-N 3.12Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-N39 PolarHBondContact O-N 2.93Å; E36-K40 PolarHBondContact O-N 2.8Å; E36-K40 VanDerWaalsContact O-N 3.13Å; E36-K40 WeakPolarHBondContact OE1-CE 2.86Å; E36-K40 IonicContact OE1-NZ 2.6Å; E36-K40 PolarHBondContact OE1-NZ 3.49Å
37	Q	61.3	Low	54.5	Low	59 Å²	59	77 Å²	77	28%	0.276	38%	0.382	S	S	.	.	H	α-helix	trans	-63.5	-39.4	172.5	-73.7	161.7	-35.1	0	0	111	Y23 I33 T34 K40 F41	Y23-Q37 PolarHBondContact OH-NE2 3.35Å; Y23-Q37 VanDerWaalsContact OH-NE2 3.08Å; Y23-Q37 PolarHBondContact OH-OE1 3.33Å; Y23-Q37 VanDerWaalsContact OH-OE1 3.13Å; I33-Q37 HydrophobicContact CG2-CB 3.94Å; T34-Q37 PolarHBondContact O-N 3.11Å; T34-Q37 VanDerWaalsContact O-N 3.1Å; T34-Q37 WeakPolarHBondContact OG1-CB 3.4Å; T34-Q37 VanDerWaalsContact OG1-CG 3.31Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.45Å; T34-Q37 PolarHBondContact OG1-N 3.12Å; T34-Q37 PolarHBondContact OG1-OE1 2.95Å; Q37-K40 PolarHBondContact O-N 3.38Å; Q37-F41 VanDerWaalsContact O-CD2 3.25Å; Q37-F41 WeakPolarHBondContact O-CD2 3.46Å; Q37-F41 PolarHBondContact O-N 3.34Å
38	L	60.2	Low	53.6	Low	5 Å²	5	80.9 Å²	80.9	3%	0.026	41%	0.413	C	S	.	.	H	α-helix	trans	-61.4	-47.7	174.4	-161.9	76.3	0	0	0	111.4	I33 T34 E36 K40 F41 T42 F60 I72 V77	I33-L38 HydrophobicContact CG2-CB 3.73Å; I33-L38 HydrophobicContact CG2-CD1 3.95Å; I33-L38 HydrophobicContact CG2-CG 4.48Å; T34-L38 PolarHBondContact O-N 3.39Å; E36-L38 VanDerWaalsContact C-N 3.32Å; L38-K40 PolarHBondContact O-N 3.37Å; L38-F41 WeakPolarHBondContact O-CA 3.32Å; L38-F41 WeakPolarHBondContact O-CB 3.49Å; L38-F41 PolarHBondContact O-N 3.09Å; L38-T42 PolarHBondContact O-N 3.42Å; L38-T42 VanDerWaalsContact O-N 3.14Å; L38-T42 PolarHBondContact O-OG1 3.41Å; L38-T42 VanDerWaalsContact O-OG1 3.06Å; L38-F60 HydrophobicContact CD1-CD1 3.8Å; L38-F60 HydrophobicContact CD1-CE1 3.81Å; L38-F60 HydrophobicContact CD2-CD1 4.2Å; L38-F60 HydrophobicContact CG-CD1 3.9Å; L38-F60 HydrophobicContact CG-CE1 4.23Å; L38-I72 HydrophobicContact CD2-CD1 3.78Å; L38-V77 HydrophobicContact CD1-CG2 4.43Å
39	N	54.7	Low	52.9	Low	89 Å²	89	78.3 Å²	78.3	48%	0.476	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-31.6	177.8	-78.4	-12.9	0	0	0	113.1	S35 E36 T42 L43	S35-N39 PolarHBondContact O-N 2.92Å; E36-N39 PolarHBondContact O-N 2.93Å; N39-T42 WeakPolarHBondContact CA-OG1 3.25Å; N39-T42 PolarHBondContact O-N 3.3Å; N39-L43 WeakPolarHBondContact O-CG 3.35Å; N39-L43 PolarHBondContact O-N 3.15Å
40	K	57.7	Low	52.3	Low	114 Å²	114	76.3 Å²	76.3	50%	0.496	40%	0.395	S	S	.	.	H	α-helix	trans	-66.8	-37.3	173.3	-74.9	165.3	174.6	164.9	0	112.1	E36 Q37 L38 T42 L44	E36-K40 PolarHBondContact O-N 2.8Å; E36-K40 VanDerWaalsContact O-N 3.13Å; E36-K40 WeakPolarHBondContact OE1-CE 2.86Å; E36-K40 IonicContact OE1-NZ 2.6Å; E36-K40 PolarHBondContact OE1-NZ 3.49Å; Q37-K40 PolarHBondContact O-N 3.38Å; L38-K40 PolarHBondContact O-N 3.37Å; K40-T42 VanDerWaalsContact C-N 3.32Å; K40-T42 PolarHBondContact O-N 3.21Å; K40-L44 WeakPolarHBondContact O-CD1 3.39Å; K40-L44 WeakPolarHBondContact O-CG 3.43Å; K40-L44 PolarHBondContact O-N 3.34Å
41	F	51.7	Low	51.6	Low	10 Å²	10	76.6 Å²	76.6	4%	0.044	40%	0.4	C	S	.	.	H	α-helix	trans	-65.9	-31.6	170.7	-75.2	-74.8	0	0	0	113	C19 Y23 I33 Q37 L38 F60	C19-F41 HydrophobicContact CB-CE1 4.34Å; Y23-F41 AromaticContact CD2-CE2 3.89Å; Y23-F41 HydrophobicContact CD2-CE2 3.89Å; Y23-F41 AromaticContact CD2-CZ 3.72Å; Y23-F41 HydrophobicContact CD2-CZ 3.72Å; Y23-F41 HydrophobicContact CE2-CE2 4.22Å; Y23-F41 HydrophobicContact CE2-CZ 4.49Å; Y23-F41 HydrophobicContact CG-CE2 4.33Å; Y23-F41 AromaticContact CG-CZ 4Å; Y23-F41 HydrophobicContact CG-CZ 4Å; I33-F41 HydrophobicContact CD1-CD2 4.19Å; I33-F41 HydrophobicContact CD1-CE2 3.72Å; Q37-F41 VanDerWaalsContact O-CD2 3.25Å; Q37-F41 WeakPolarHBondContact O-CD2 3.46Å; Q37-F41 PolarHBondContact O-N 3.34Å; L38-F41 WeakPolarHBondContact O-CA 3.32Å; L38-F41 WeakPolarHBondContact O-CB 3.49Å; L38-F41 PolarHBondContact O-N 3.09Å; F41-F60 HydrophobicContact CB-CE1 4.41Å; F41-F60 HydrophobicContact CB-CZ 4.05Å
42	T	53	Low	50.7	Low	38 Å²	38	72 Å²	72	23%	0.233	38%	0.382	C	S	.	.	H	α-helix	trans	-70.3	-44.4	175.7	-26	0	0	0	0	112	L38 N39 K40 L44 N45 F60	L38-T42 PolarHBondContact O-N 3.42Å; L38-T42 VanDerWaalsContact O-N 3.14Å; L38-T42 PolarHBondContact O-OG1 3.41Å; L38-T42 VanDerWaalsContact O-OG1 3.06Å; N39-T42 WeakPolarHBondContact CA-OG1 3.25Å; N39-T42 PolarHBondContact O-N 3.3Å; K40-T42 VanDerWaalsContact C-N 3.32Å; K40-T42 PolarHBondContact O-N 3.21Å; T42-L44 VanDerWaalsContact C-N 3.32Å; T42-L44 PolarHBondContact O-N 3.32Å; T42-N45 WeakPolarHBondContact O-CB 3.43Å; T42-N45 PolarHBondContact O-N 2.97Å; T42-F60 HydrophobicContact CG2-CD2 3.82Å; T42-F60 HydrophobicContact CG2-CE2 4.3Å; T42-F60 HydrophobicContact CG2-CG 4.48Å
43	L	49	Very low	50	Low	115 Å²	115	70.1 Å²	70.1	60%	0.602	38%	0.376	S	S	*	.	H	α-helix	trans	-66.7	-29.3	-178.4	-79.6	161.8	0	0	0	113.5	N39 N45 H46	N39-L43 WeakPolarHBondContact O-CG 3.35Å; N39-L43 PolarHBondContact O-N 3.15Å; L43-N45 PolarHBondContact O-N 3.27Å; L43-N45 VanDerWaalsContact O-N 3.15Å; L43-H46 PolarHBondContact O-CD2 3.37Å
44	L	44.1	Very low	49.4	Very low	68 Å²	68	74.9 Å²	74.9	36%	0.356	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-3.7	176	-75.2	161.3	0	0	0	113.8	F5 K40 T42	F5-L44 HydrophobicContact CD1-CB 4.39Å; F5-L44 HydrophobicContact CD1-CD2 4.44Å; F5-L44 HydrophobicContact CD2-CD2 3.84Å; F5-L44 HydrophobicContact CE1-CB 3.79Å; F5-L44 HydrophobicContact CE1-CD2 4.39Å; F5-L44 HydrophobicContact CE1-CG 4.45Å; F5-L44 HydrophobicContact CE2-CB 4.39Å; F5-L44 HydrophobicContact CE2-CD1 3.71Å; F5-L44 HydrophobicContact CE2-CD2 3.8Å; F5-L44 HydrophobicContact CE2-CG 4.18Å; F5-L44 HydrophobicContact CG-CD2 4.21Å; F5-L44 HydrophobicContact CZ-CB 3.82Å; F5-L44 HydrophobicContact CZ-CD1 3.69Å; F5-L44 HydrophobicContact CZ-CD2 4.1Å; F5-L44 HydrophobicContact CZ-CG 4.07Å; K40-L44 WeakPolarHBondContact O-CD1 3.39Å; K40-L44 WeakPolarHBondContact O-CG 3.43Å; K40-L44 PolarHBondContact O-N 3.34Å; T42-L44 VanDerWaalsContact C-N 3.32Å; T42-L44 PolarHBondContact O-N 3.32Å
45	N	44.7	Very low	48.7	Very low	12 Å²	12	73.3 Å²	73.3	6%	0.064	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	12.3	-173.1	-114.4	-35.6	0	0	0	114.4	L11 T42 L43 S47 N56	L11-N45 WeakPolarHBondContact CD1-ND2 3.41Å; T42-N45 WeakPolarHBondContact O-CB 3.43Å; T42-N45 PolarHBondContact O-N 2.97Å; L43-N45 PolarHBondContact O-N 3.27Å; L43-N45 VanDerWaalsContact O-N 3.15Å; N45-S47 PolarHBondContact O-N 2.79Å; N45-N56 PolarHBondContact ND2-ND2 2.93Å; N45-N56 PolarHBondContact OD1-ND2 3.2Å
46	H	41.1	Very low	48.3	Very low	150 Å²	150	71.8 Å²	71.8	69%	0.694	38%	0.378	S	S	*	.			trans	-72.4	61	174.2	-77.2	-72.3	0	0	0	112.7	L43	L43-H46 PolarHBondContact O-CD2 3.37Å
47	S	39.8	Very low	48.3	Very low	30 Å²	30	73.7 Å²	73.7	21%	0.21	38%	0.38	C	S	.	.			trans	-81.4	152.1	166.6	62.2	0	0	0	0	110.9	N45 L49	N45-S47 PolarHBondContact O-N 2.79Å; S47-L49 PolarHBondContact O-N 3.07Å
48	S	39.3	Very low	48.2	Very low	129 Å²	129	75.7 Å²	75.7	90%	0.902	39%	0.389	S	S	*	.	S	Bend	trans	-65.7	11.1	-172.9	-163.6	0	0	0	0	116
49	L	40.8	Very low	48	Very low	98 Å²	98	75.5 Å²	75.5	51%	0.513	39%	0.388	S	S	.	.			trans	-105.2	92	176.2	-74.6	113.1	0	0	0	110.5	S47 N51 N52 S53	S47-L49 PolarHBondContact O-N 3.07Å; L49-N51 PolarHBondContact O-N 3.24Å; L49-N51 VanDerWaalsContact O-N 3.1Å; L49-N52 HydrophobicContact CB-CB 4.44Å; L49-N52 PolarHBondContact O-N 3.11Å; L49-S53 PolarHBondContact O-N 3.35Å
50	E	41.8	Very low	48.3	Very low	111 Å²	111	71.7 Å²	71.7	52%	0.519	37%	0.367	S	S	.	.	H	α-helix	trans	-46.4	-43	-179.2	-64.5	-176.6	136.3	0	0	113.2	N52 S53 I54	E50-N52 VanDerWaalsContact C-N 3.3Å; E50-N52 PolarHBondContact O-N 3.49Å; E50-S53 PolarHBondContact O-N 3.23Å; E50-S53 PolarHBondContact O-OG 3.48Å; E50-I54 WeakPolarHBondContact O-CG1 3.31Å; E50-I54 PolarHBondContact O-N 3.48Å
51	N	41.7	Very low	48.6	Very low	125 Å²	125	70 Å²	70	67%	0.668	36%	0.363	S	S	*	.	H	α-helix	trans	-58.9	-37.1	179.9	-68.7	-20.5	0	0	0	113.4	L49 I55	L49-N51 PolarHBondContact O-N 3.24Å; L49-N51 VanDerWaalsContact O-N 3.1Å; N51-I55 WeakPolarHBondContact O-CD1 3.43Å
52	N	41.6	Very low	49.2	Very low	39 Å²	39	72.6 Å²	72.6	21%	0.209	38%	0.375	C	S	.	.	H	α-helix	trans	-83.8	-27.4	-175.9	-68.9	-18.5	0	0	0	112.4	L49 E50 I54 I55 N56	L49-N52 HydrophobicContact CB-CB 4.44Å; L49-N52 PolarHBondContact O-N 3.11Å; E50-N52 VanDerWaalsContact C-N 3.3Å; E50-N52 PolarHBondContact O-N 3.49Å; N52-I54 VanDerWaalsContact C-N 3.29Å; N52-I54 PolarHBondContact O-N 2.85Å; N52-I55 PolarHBondContact O-N 3.25Å; N52-N56 PolarHBondContact O-N 3.39Å; N52-N56 VanDerWaalsContact O-N 3.11Å
53	S	46.4	Very low	49.7	Very low	44 Å²	44	70.9 Å²	70.9	31%	0.308	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-37	172.9	78.6	0	0	0	0	111.3	L49 E50 R57	L49-S53 PolarHBondContact O-N 3.35Å; E50-S53 PolarHBondContact O-N 3.23Å; E50-S53 PolarHBondContact O-OG 3.48Å; S53-R57 VanDerWaalsContact O-CB 3.27Å; S53-R57 WeakPolarHBondContact O-CB 3.46Å; S53-R57 PolarHBondContact O-N 2.84Å
54	I	49.2	Very low	50.4	Low	102 Å²	102	70.6 Å²	70.6	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-61	-46	175	-64.1	164.9	0	0	0	110.7	E50 N52 R57 H58	E50-I54 WeakPolarHBondContact O-CG1 3.31Å; E50-I54 PolarHBondContact O-N 3.48Å; N52-I54 VanDerWaalsContact C-N 3.29Å; N52-I54 PolarHBondContact O-N 2.85Å; I54-R57 PolarHBondContact O-N 3.41Å; I54-H58 WeakPolarHBondContact O-CB 3.4Å; I54-H58 PolarHBondContact O-N 2.86Å
55	I	49.4	Very low	51.4	Low	39 Å²	39	74.7 Å²	74.7	20%	0.2	37%	0.373	C	S	.	.	H	α-helix	trans	-64.8	-47.9	-179.1	-68.7	149.9	0	0	0	111.4	N51 N52 R57 H58 I59 Q88	N51-I55 WeakPolarHBondContact O-CD1 3.43Å; N52-I55 PolarHBondContact O-N 3.25Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.39Å; I55-H58 PolarHBondContact O-N 3.34Å; I55-I59 HydrophobicContact CG2-CD1 4.03Å; I55-I59 WeakPolarHBondContact O-CG1 3.45Å; I55-I59 PolarHBondContact O-N 3.23Å; I55-Q88 HydrophobicContact CD1-CG 4.32Å
56	N	49.1	Very low	52.2	Low	7 Å²	7	78 Å²	78	4%	0.037	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-44.2	177.7	-75.3	-26.3	0	0	0	110.8	N45 N52 H58 I59 F60	N45-N56 PolarHBondContact ND2-ND2 2.93Å; N45-N56 PolarHBondContact OD1-ND2 3.2Å; N52-N56 PolarHBondContact O-N 3.39Å; N52-N56 VanDerWaalsContact O-N 3.11Å; N56-H58 VanDerWaalsContact C-N 3.35Å; N56-H58 PolarHBondContact O-N 2.84Å; N56-I59 WeakPolarHBondContact O-CB 3.36Å; N56-I59 PolarHBondContact O-N 2.86Å; N56-F60 WeakPolarHBondContact O-CD2 3.49Å; N56-F60 PolarHBondContact O-N 3.01Å
57	R	58.2	Low	53	Low	164 Å²	164	73.6 Å²	73.6	62%	0.619	37%	0.367	S	S	*	.	H	α-helix	trans	-58.4	-45.2	173.7	-171.3	169.5	-173.6	139.5	2.9	111.9	S53 I54 I55 I59 F60 D61	S53-R57 VanDerWaalsContact O-CB 3.27Å; S53-R57 WeakPolarHBondContact O-CB 3.46Å; S53-R57 PolarHBondContact O-N 2.84Å; I54-R57 PolarHBondContact O-N 3.41Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.39Å; R57-I59 VanDerWaalsContact C-N 3.3Å; R57-I59 PolarHBondContact O-N 3.47Å; R57-F60 PolarHBondContact O-N 2.83Å; R57-F60 VanDerWaalsContact O-N 3.11Å; R57-D61 WeakPolarHBondContact O-CB 3.28Å; R57-D61 PolarHBondContact O-N 3.23Å
58	H	59.1	Low	53.9	Low	101 Å²	101	78.5 Å²	78.5	47%	0.468	40%	0.396	S	S	.	.	H	α-helix	trans	-66.9	-28.6	179.8	-151.8	-21.8	0	0	0	113.5	I54 I55 N56 K62	I54-H58 WeakPolarHBondContact O-CB 3.4Å; I54-H58 PolarHBondContact O-N 2.86Å; I55-H58 PolarHBondContact O-N 3.34Å; N56-H58 VanDerWaalsContact C-N 3.35Å; N56-H58 PolarHBondContact O-N 2.84Å; H58-K62 WeakPolarHBondContact O-CB 3.37Å; H58-K62 PolarHBondContact O-N 2.79Å; H58-K62 VanDerWaalsContact O-N 3.13Å
59	I	56.4	Low	54.8	Low	1 Å²	1	75.3 Å²	75.3	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-64.9	-49.8	168.9	-72.3	163.3	0	0	0	110.5	I55 N56 R57 K62 A63 F81 Q84	I55-I59 HydrophobicContact CG2-CD1 4.03Å; I55-I59 WeakPolarHBondContact O-CG1 3.45Å; I55-I59 PolarHBondContact O-N 3.23Å; N56-I59 WeakPolarHBondContact O-CB 3.36Å; N56-I59 PolarHBondContact O-N 2.86Å; R57-I59 VanDerWaalsContact C-N 3.3Å; R57-I59 PolarHBondContact O-N 3.47Å; I59-K62 PolarHBondContact O-N 3.25Å; I59-A63 WeakPolarHBondContact O-CB 3.35Å; I59-A63 PolarHBondContact O-N 3.45Å; I59-F81 HydrophobicContact CD1-CD2 3.82Å; I59-F81 HydrophobicContact CD1-CE2 4.16Å; I59-F81 HydrophobicContact CD1-CG 4.4Å; I59-F81 HydrophobicContact CG2-CB 3.95Å; I59-F81 HydrophobicContact CG2-CD2 4.12Å; I59-F81 HydrophobicContact CG2-CG 4.5Å; I59-Q84 HydrophobicContact CD1-CB 3.87Å; I59-Q84 HydrophobicContact CG1-CB 3.4Å; I59-Q84 VanDerWaalsContact CG1-CB 3.4Å; I59-Q84 HydrophobicContact CG1-CG 3.58Å
60	F	59.6	Low	55.7	Low	9 Å²	9	77.6 Å²	77.6	4%	0.039	39%	0.386	C	S	.	.	H	α-helix	trans	-66.8	-40.7	-179.3	-73.1	-63.6	0	0	0	112.2	M16 L38 F41 T42 N56 R57 K62 A63 Y64 V77	M16-F60 HydrophobicContact CE-CE1 4.46Å; M16-F60 HydrophobicContact CE-CZ 3.67Å; L38-F60 HydrophobicContact CD1-CD1 3.8Å; L38-F60 HydrophobicContact CD1-CE1 3.81Å; L38-F60 HydrophobicContact CD2-CD1 4.2Å; L38-F60 HydrophobicContact CG-CD1 3.9Å; L38-F60 HydrophobicContact CG-CE1 4.23Å; F41-F60 HydrophobicContact CB-CE1 4.41Å; F41-F60 HydrophobicContact CB-CZ 4.05Å; T42-F60 HydrophobicContact CG2-CD2 3.82Å; T42-F60 HydrophobicContact CG2-CE2 4.3Å; T42-F60 HydrophobicContact CG2-CG 4.48Å; N56-F60 WeakPolarHBondContact O-CD2 3.49Å; N56-F60 PolarHBondContact O-N 3.01Å; R57-F60 PolarHBondContact O-N 2.83Å; R57-F60 VanDerWaalsContact O-N 3.11Å; F60-K62 PolarHBondContact O-N 3.44Å; F60-A63 PolarHBondContact O-N 2.9Å; F60-Y64 WeakPolarHBondContact O-CB 3.11Å; F60-Y64 PolarHBondContact O-N 3.49Å; F60-V77 HydrophobicContact CE1-CG1 4.39Å
61	D	64.6	Low	56.4	Low	78 Å²	78	74 Å²	74	42%	0.417	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-44.9	175	-66.4	-23.9	0	0	0	110.4	R57 A63 Y64 E65	R57-D61 WeakPolarHBondContact O-CB 3.28Å; R57-D61 PolarHBondContact O-N 3.23Å; D61-A63 PolarHBondContact O-N 2.8Å; D61-Y64 CarbonylContact O-C 3.59Å; D61-Y64 WeakPolarHBondContact O-CB 3.44Å; D61-Y64 PolarHBondContact O-N 2.83Å; D61-Y64 VanDerWaalsContact O-N 3.17Å; D61-E65 WeakPolarHBondContact O-CG 3.29Å; D61-E65 PolarHBondContact O-N 2.81Å
62	K	64.7	Low	57.3	Low	64 Å²	64	68.3 Å²	68.3	28%	0.278	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-37.2	173.9	-83.5	-174.1	176	176.1	0	114	H58 I59 F60 Y64 E65 Q66 T80 Q84	H58-K62 WeakPolarHBondContact O-CB 3.37Å; H58-K62 PolarHBondContact O-N 2.79Å; H58-K62 VanDerWaalsContact O-N 3.13Å; I59-K62 PolarHBondContact O-N 3.25Å; F60-K62 PolarHBondContact O-N 3.44Å; K62-Y64 PolarHBondContact O-N 3.2Å; K62-E65 PolarHBondContact O-N 3.46Å; K62-Q66 WeakPolarHBondContact O-CG 3.26Å; K62-Q66 PolarHBondContact O-N 2.9Å; K62-Q66 VanDerWaalsContact O-N 3.1Å; K62-T80 HydrophobicContact CB-CG2 3.62Å; K62-Q84 HydrophobicContact CD-CG 4.44Å
63	A	62	Low	58.5	Low	2 Å²	2	68.9 Å²	68.9	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-66.8	-30.2	174.9	0	0	0	0	0	111.3	I59 F60 D61 V77	I59-A63 WeakPolarHBondContact O-CB 3.35Å; I59-A63 PolarHBondContact O-N 3.45Å; F60-A63 PolarHBondContact O-N 2.9Å; D61-A63 PolarHBondContact O-N 2.8Å; A63-V77 HydrophobicContact CB-CG2 4.31Å
64	Y	64.8	Low	59.4	Low	110 Å²	110	67 Å²	67	43%	0.431	33%	0.332	S	S	.	.	H	α-helix	trans	-74.9	-39.4	173.4	-159.1	-88	0	0	0	112.3	F60 D61 K62 Q66 K67 I72	F60-Y64 WeakPolarHBondContact O-CB 3.11Å; F60-Y64 PolarHBondContact O-N 3.49Å; D61-Y64 CarbonylContact O-C 3.59Å; D61-Y64 WeakPolarHBondContact O-CB 3.44Å; D61-Y64 PolarHBondContact O-N 2.83Å; D61-Y64 VanDerWaalsContact O-N 3.17Å; K62-Y64 PolarHBondContact O-N 3.2Å; Y64-Q66 PolarHBondContact O-N 2.74Å; Y64-K67 HydrophobicContact CD2-CD 4.48Å; Y64-K67 HydrophobicContact CE1-CD 4.38Å; Y64-K67 HydrophobicContact CE2-CD 4.12Å; Y64-K67 VanDerWaalsContact O-CB 3.29Å; Y64-K67 WeakPolarHBondContact O-CB 3.34Å; Y64-K67 PolarHBondContact O-N 3.34Å; Y64-K67 VanDerWaalsContact O-N 3.09Å; Y64-I72 HydrophobicContact CD2-CD1 3.88Å; Y64-I72 HydrophobicContact CE2-CD1 4.41Å
65	E	65.7	Low	60.1	Low	153 Å²	153	69.5 Å²	69.5	72%	0.715	34%	0.34	S	S	*	.	H	α-helix	trans	-60.2	-30	171.2	-73.6	175.3	165.9	0	0	112.5	D61 K62 K67	D61-E65 WeakPolarHBondContact O-CG 3.29Å; D61-E65 PolarHBondContact O-N 2.81Å; K62-E65 PolarHBondContact O-N 3.46Å; E65-K67 VanDerWaalsContact C-N 3.27Å; E65-K67 PolarHBondContact O-N 3.41Å
66	Q	60.1	Low	60.9	Low	83 Å²	83	70.1 Å²	70.1	39%	0.388	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	13.4	175.5	-67.2	-177.2	15.6	0	0	114	K62 Y64 T68	K62-Q66 WeakPolarHBondContact O-CG 3.26Å; K62-Q66 PolarHBondContact O-N 2.9Å; K62-Q66 VanDerWaalsContact O-N 3.1Å; Y64-Q66 PolarHBondContact O-N 2.74Å; Q66-T68 PolarHBondContact O-N 3.46Å
67	K	59.1	Low	61.7	Low	57 Å²	57	70 Å²	70	25%	0.248	34%	0.343	C	S	.	.			trans	-59.1	119.5	171.6	-98.9	-168.9	155.6	-169.8	0	111.4	Y64 E65 S69 D70 I72	Y64-K67 HydrophobicContact CD2-CD 4.48Å; Y64-K67 HydrophobicContact CE1-CD 4.38Å; Y64-K67 HydrophobicContact CE2-CD 4.12Å; Y64-K67 VanDerWaalsContact O-CB 3.29Å; Y64-K67 WeakPolarHBondContact O-CB 3.34Å; Y64-K67 PolarHBondContact O-N 3.34Å; Y64-K67 VanDerWaalsContact O-N 3.09Å; E65-K67 VanDerWaalsContact C-N 3.27Å; E65-K67 PolarHBondContact O-N 3.41Å; K67-S69 WeakPolarHBondContact CD-O 3.45Å; K67-S69 WeakPolarHBondContact CE-O 3.21Å; K67-S69 WeakPolarHBondContact CG-O 3.31Å; K67-D70 WeakPolarHBondContact CE-O 3.39Å; K67-D70 PolarHBondContact NZ-O 3.29Å; K67-I72 HydrophobicContact CD-CD1 4.5Å; K67-I72 HydrophobicContact CD-CG1 4.31Å; K67-I72 HydrophobicContact CG-CD1 4.12Å; K67-I72 HydrophobicContact CG-CG1 3.65Å
68	T	57.8	Low	61.9	Low	133 Å²	133	64.1 Å²	64.1	82%	0.816	32%	0.323	S	S	*	.	S	Bend	trans	-97.9	-9.9	164.6	52.6	0	0	0	0	112.9	Q66	Q66-T68 PolarHBondContact O-N 3.46Å
69	S	59.5	Low	62.2	Low	61 Å²	61	64.3 Å²	64.3	43%	0.427	32%	0.322	S	S	.	.	S	Bend	trans	-159.3	176.2	179.3	59.2	0	0	0	0	111	K67 S71	K67-S69 WeakPolarHBondContact CD-O 3.45Å; K67-S69 WeakPolarHBondContact CE-O 3.21Å; K67-S69 WeakPolarHBondContact CG-O 3.31Å; S69-S71 PolarHBondContact O-N 3.34Å; S69-S71 VanDerWaalsContact O-N 3.15Å; S69-S71 PolarHBondContact OG-O 2.93Å; S69-S71 PolarHBondContact OG-OG 3.47Å
70	D	59.9	Low	62.6	Low	146 Å²	146	64.3 Å²	64.3	78%	0.781	32%	0.322	S	S	*	.	S	Bend	trans	-61.1	-23.8	-179.6	-77	-45.3	0	0	0	114.5	K67	K67-D70 WeakPolarHBondContact CE-O 3.39Å; K67-D70 PolarHBondContact NZ-O 3.29Å
71	S	55.3	Low	62.6	Low	36 Å²	36	64.2 Å²	64.2	25%	0.252	32%	0.322	S	S	.	.	S	Bend	trans	-97.7	142.4	173.3	50.8	0	0	0	0	111.9	S69	S69-S71 PolarHBondContact O-N 3.34Å; S69-S71 VanDerWaalsContact O-N 3.15Å; S69-S71 PolarHBondContact OG-O 2.93Å; S69-S71 PolarHBondContact OG-OG 3.47Å
72	I	60.8	Low	62.3	Low	6 Å²	6	65.5 Å²	65.5	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.1	178.7	-63.1	167	0	0	0	108.6	I33 L38 Y64 K67 L74 V77	I33-I72 PolarHBondContact N-O 2.91Å; I33-I72 PolarHBondContact O-N 3.16Å; L38-I72 HydrophobicContact CD2-CD1 3.78Å; Y64-I72 HydrophobicContact CD2-CD1 3.88Å; Y64-I72 HydrophobicContact CE2-CD1 4.41Å; K67-I72 HydrophobicContact CD-CD1 4.5Å; K67-I72 HydrophobicContact CD-CG1 4.31Å; K67-I72 HydrophobicContact CG-CD1 4.12Å; K67-I72 HydrophobicContact CG-CG1 3.65Å; I72-L74 PolarHBondContact O-N 2.96Å; I72-V77 HydrophobicContact CG2-CG2 3.45Å; I72-V77 VanDerWaalsContact CG2-CG2 3.45Å
73	D	67.1	Low	62.1	Low	50 Å²	50	66 Å²	66	27%	0.267	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	121.9	174.1	-176.1	-3	0	0	0	109.9	K31 K75 N76 V77	K31-D73 CarbonylContact O-C 3.59Å; K31-D73 WeakPolarHBondContact O-CA 3.36Å; D73-K75 PolarHBondContact O-N 3.34Å; D73-K75 VanDerWaalsContact O-N 3.16Å; D73-K75 WeakPolarHBondContact OD1-CB 3.46Å; D73-K75 PolarHBondContact OD1-N 3.32Å; D73-N76 HydrophobicContact CB-CB 4.47Å; D73-N76 WeakPolarHBondContact O-CA 3.35Å; D73-N76 WeakPolarHBondContact O-CB 3.35Å; D73-N76 PolarHBondContact O-N 3.39Å; D73-V77 PolarHBondContact O-N 3.43Å; D73-V77 VanDerWaalsContact O-N 3.12Å
74	L	65.5	Low	62	Low	4 Å²	4	67.4 Å²	67.4	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-55.2	-31.6	176.4	-154.9	72.6	0	0	0	112.2	L20 L24 K31 I33 I72 N76 V77 M78	L20-L74 HydrophobicContact CB-CD2 4.32Å; L20-L74 HydrophobicContact CD2-CD1 3.63Å; L20-L74 HydrophobicContact CD2-CG 4.29Å; L24-L74 HydrophobicContact CD1-CD2 3.77Å; L24-L74 HydrophobicContact CD2-CD2 3.52Å; L24-L74 HydrophobicContact CG-CD2 3.41Å; L24-L74 VanDerWaalsContact CG-CD2 3.41Å; K31-L74 PolarHBondContact O-N 2.85Å; I33-L74 HydrophobicContact CD1-CD1 3.24Å; I33-L74 HydrophobicContact CG1-CD1 3.82Å; I72-L74 PolarHBondContact O-N 2.96Å; L74-N76 VanDerWaalsContact C-N 3.31Å; L74-N76 PolarHBondContact O-N 2.96Å; L74-V77 PolarHBondContact O-N 3.34Å; L74-M78 WeakPolarHBondContact O-CB 3.36Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 3.3Å
75	K	64.4	Low	61.5	Low	156 Å²	156	64.5 Å²	64.5	68%	0.678	32%	0.323	S	S	*	.	H	α-helix	trans	-64.9	-35.9	175.6	-168.2	179.3	-179.7	-177.7	0	111.7	D73 K79	D73-K75 PolarHBondContact O-N 3.34Å; D73-K75 VanDerWaalsContact O-N 3.16Å; D73-K75 WeakPolarHBondContact OD1-CB 3.46Å; D73-K75 PolarHBondContact OD1-N 3.32Å; K75-K79 VanDerWaalsContact O-CB 3.25Å; K75-K79 WeakPolarHBondContact O-CB 3.3Å; K75-K79 PolarHBondContact O-N 2.75Å
76	N	66	Low	60.8	Low	51 Å²	51	60 Å²	60	27%	0.273	30%	0.302	S	S	.	.	H	α-helix	trans	-69.4	-45.4	171.8	-74.9	-7.2	0	0	0	110.4	D73 L74 M78 K79 T80	D73-N76 HydrophobicContact CB-CB 4.47Å; D73-N76 WeakPolarHBondContact O-CA 3.35Å; D73-N76 WeakPolarHBondContact O-CB 3.35Å; D73-N76 PolarHBondContact O-N 3.39Å; L74-N76 VanDerWaalsContact C-N 3.31Å; L74-N76 PolarHBondContact O-N 2.96Å; N76-M78 PolarHBondContact O-N 3.34Å; N76-K79 CarbonylContact O-C 3.55Å; N76-K79 WeakPolarHBondContact O-CB 3.38Å; N76-K79 PolarHBondContact O-N 2.81Å; N76-K79 VanDerWaalsContact O-N 3.11Å; N76-T80 PolarHBondContact O-N 3.17Å; N76-T80 PolarHBondContact O-OG1 3.21Å
77	V	64.6	Low	60.5	Low	4 Å²	4	59.2 Å²	59.2	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-56.4	-48.2	176.5	-173.9	0	0	0	0	111.6	L38 F60 A63 I72 D73 L74 K79 T80 F81	L38-V77 HydrophobicContact CD1-CG2 4.43Å; F60-V77 HydrophobicContact CE1-CG1 4.39Å; A63-V77 HydrophobicContact CB-CG2 4.31Å; I72-V77 HydrophobicContact CG2-CG2 3.45Å; I72-V77 VanDerWaalsContact CG2-CG2 3.45Å; D73-V77 PolarHBondContact O-N 3.43Å; D73-V77 VanDerWaalsContact O-N 3.12Å; L74-V77 PolarHBondContact O-N 3.34Å; V77-K79 PolarHBondContact O-N 2.94Å; V77-T80 PolarHBondContact O-N 3.36Å; V77-F81 VanDerWaalsContact O-CB 3.28Å; V77-F81 WeakPolarHBondContact O-CB 3.39Å; V77-F81 PolarHBondContact O-N 3.1Å
78	M	62.2	Low	60.1	Low	42 Å²	42	58.7 Å²	58.7	21%	0.207	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-43	176.1	-75.4	-176.8	71	0	0	111.9	T17 L20 L74 N76 F81 Q82	T17-M78 HydrophobicContact CG2-CE 4.29Å; L20-M78 HydrophobicContact CD1-CG 3.8Å; L74-M78 WeakPolarHBondContact O-CB 3.36Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 3.3Å; N76-M78 PolarHBondContact O-N 3.34Å; M78-F81 PolarHBondContact O-N 2.85Å; M78-Q82 WeakPolarHBondContact O-CB 3.41Å; M78-Q82 VanDerWaalsContact O-CG 3.26Å; M78-Q82 WeakPolarHBondContact O-CG 3.44Å; M78-Q82 PolarHBondContact O-N 3.24Å
79	K	66	Low	59.4	Low	105 Å²	105	54.5 Å²	54.5	46%	0.457	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-48.1	176.6	179.5	-178.1	167.6	-173.7	0	111.5	K75 N76 V77 F81 Q82 E83	K75-K79 VanDerWaalsContact O-CB 3.25Å; K75-K79 WeakPolarHBondContact O-CB 3.3Å; K75-K79 PolarHBondContact O-N 2.75Å; N76-K79 CarbonylContact O-C 3.55Å; N76-K79 WeakPolarHBondContact O-CB 3.38Å; N76-K79 PolarHBondContact O-N 2.81Å; N76-K79 VanDerWaalsContact O-N 3.11Å; V77-K79 PolarHBondContact O-N 2.94Å; K79-F81 VanDerWaalsContact C-N 3.32Å; K79-F81 PolarHBondContact O-N 3.44Å; K79-Q82 PolarHBondContact O-N 3.46Å; K79-E83 WeakPolarHBondContact CE-OE1 3.42Å; K79-E83 HydrophobicContact CG-CG 4.44Å; K79-E83 IonicContact NZ-OE1 3.84Å; K79-E83 WeakPolarHBondContact O-CB 3.38Å; K79-E83 VanDerWaalsContact O-CG 3.29Å; K79-E83 WeakPolarHBondContact O-CG 3.33Å; K79-E83 PolarHBondContact O-N 2.86Å
80	T	65	Low	58.7	Low	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-40.5	177.5	-45.7	0	0	0	0	111.1	K62 N76 V77 E83 Q84	K62-T80 HydrophobicContact CB-CG2 3.62Å; N76-T80 PolarHBondContact O-N 3.17Å; N76-T80 PolarHBondContact O-OG1 3.21Å; V77-T80 PolarHBondContact O-N 3.36Å; T80-E83 PolarHBondContact O-N 2.85Å; T80-Q84 WeakPolarHBondContact O-CG 3.47Å; T80-Q84 PolarHBondContact O-N 3.07Å
81	F	58.6	Low	58.1	Low	7 Å²	7	49.2 Å²	49.2	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-53.2	174.8	-177.3	-79.2	0	0	0	110.9	M16 I59 V77 M78 K79 E83 Q84 Y85	M16-F81 HydrophobicContact CB-CE1 4.22Å; M16-F81 HydrophobicContact CB-CE2 4.01Å; M16-F81 HydrophobicContact CB-CZ 3.8Å; M16-F81 HydrophobicContact CG-CD2 3.85Å; M16-F81 HydrophobicContact CG-CE1 4.45Å; M16-F81 HydrophobicContact CG-CE2 3.62Å; M16-F81 HydrophobicContact CG-CG 4.37Å; M16-F81 HydrophobicContact CG-CZ 3.94Å; M16-F81 HydrophobicContact SD-CD2 3.99Å; M16-F81 HydrophobicContact SD-CE2 3.55Å; M16-F81 VanDerWaalsContact SD-CE2 3.55Å; M16-F81 HydrophobicContact SD-CZ 4.27Å; I59-F81 HydrophobicContact CD1-CD2 3.82Å; I59-F81 HydrophobicContact CD1-CE2 4.16Å; I59-F81 HydrophobicContact CD1-CG 4.4Å; I59-F81 HydrophobicContact CG2-CB 3.95Å; I59-F81 HydrophobicContact CG2-CD2 4.12Å; I59-F81 HydrophobicContact CG2-CG 4.5Å; V77-F81 VanDerWaalsContact O-CB 3.28Å; V77-F81 WeakPolarHBondContact O-CB 3.39Å; V77-F81 PolarHBondContact O-N 3.1Å; M78-F81 PolarHBondContact O-N 2.85Å; K79-F81 VanDerWaalsContact C-N 3.32Å; K79-F81 PolarHBondContact O-N 3.44Å; F81-E83 VanDerWaalsContact C-N 3.33Å; F81-E83 PolarHBondContact O-N 3.06Å; F81-Q84 PolarHBondContact O-N 3.19Å; F81-Y85 HydrophobicContact CD1-CD2 4.3Å; F81-Y85 AromaticContact CE1-CD2 3.5Å; F81-Y85 HydrophobicContact CE1-CD2 3.5Å; F81-Y85 HydrophobicContact CE1-CE2 4.05Å; F81-Y85 HydrophobicContact CE1-CG 4.04Å; F81-Y85 AromaticContact CE2-CD2 3.94Å; F81-Y85 HydrophobicContact CE2-CD2 3.94Å; F81-Y85 HydrophobicContact CE2-CE2 4.05Å; F81-Y85 AromaticContact CZ-CD2 3.3Å; F81-Y85 HydrophobicContact CZ-CD2 3.3Å; F81-Y85 AromaticContact CZ-CE2 3.42Å; F81-Y85 HydrophobicContact CZ-CE2 3.42Å; F81-Y85 VanDerWaalsContact CZ-CE2 3.42Å; F81-Y85 HydrophobicContact CZ-CG 4.25Å; F81-Y85 WeakPolarHBondContact O-CB 3.16Å; F81-Y85 PolarHBondContact O-N 3.09Å
82	Q	58.2	Low	57.5	Low	105 Å²	105	53.4 Å²	53.4	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-56.9	-45.3	176.7	-75.7	173.8	-19.3	0	0	111.5	M78 K79 F86	M78-Q82 WeakPolarHBondContact O-CB 3.41Å; M78-Q82 VanDerWaalsContact O-CG 3.26Å; M78-Q82 WeakPolarHBondContact O-CG 3.44Å; M78-Q82 PolarHBondContact O-N 3.24Å; K79-Q82 PolarHBondContact O-N 3.46Å; Q82-F86 WeakPolarHBondContact O-CB 3.37Å; Q82-F86 PolarHBondContact O-N 3.1Å
83	E	62.5	Low	56.6	Low	75 Å²	75	54.2 Å²	54.2	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-46.3	176.5	-77.3	175.4	179	0	0	112.2	K79 T80 F81 N87	K79-E83 WeakPolarHBondContact CE-OE1 3.42Å; K79-E83 HydrophobicContact CG-CG 4.44Å; K79-E83 IonicContact NZ-OE1 3.84Å; K79-E83 WeakPolarHBondContact O-CB 3.38Å; K79-E83 VanDerWaalsContact O-CG 3.29Å; K79-E83 WeakPolarHBondContact O-CG 3.33Å; K79-E83 PolarHBondContact O-N 2.86Å; T80-E83 PolarHBondContact O-N 2.85Å; F81-E83 VanDerWaalsContact C-N 3.33Å; F81-E83 PolarHBondContact O-N 3.06Å; E83-N87 VanDerWaalsContact O-CB 3.31Å; E83-N87 WeakPolarHBondContact O-CB 3.38Å; E83-N87 PolarHBondContact O-N 3.39Å; E83-N87 PolarHBondContact O-ND2 3.06Å
84	Q	59.4	Low	55.6	Low	31 Å²	31	57 Å²	57	15%	0.145	28%	0.275	C	S	.	.	H	α-helix	trans	-73.4	-38.1	179.9	-65	-44.9	-85.1	0	0	112.7	I59 K62 T80 F81 F86 N87 Q88	I59-Q84 HydrophobicContact CD1-CB 3.87Å; I59-Q84 HydrophobicContact CG1-CB 3.4Å; I59-Q84 VanDerWaalsContact CG1-CB 3.4Å; I59-Q84 HydrophobicContact CG1-CG 3.58Å; K62-Q84 HydrophobicContact CD-CG 4.44Å; T80-Q84 WeakPolarHBondContact O-CG 3.47Å; T80-Q84 PolarHBondContact O-N 3.07Å; F81-Q84 PolarHBondContact O-N 3.19Å; Q84-F86 VanDerWaalsContact C-N 3.31Å; Q84-F86 PolarHBondContact O-N 2.86Å; Q84-N87 PolarHBondContact NE2-ND2 2.9Å; Q84-N87 PolarHBondContact O-N 3.27Å; Q84-Q88 WeakPolarHBondContact O-CB 3.22Å; Q84-Q88 PolarHBondContact O-N 3.26Å
85	Y	54.5	Low	54.9	Low	49 Å²	49	60.2 Å²	60.2	19%	0.192	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-39.2	173.7	-121.3	-88.5	0	0	0	110.9	F81 Q88 F89	F81-Y85 HydrophobicContact CD1-CD2 4.3Å; F81-Y85 AromaticContact CE1-CD2 3.5Å; F81-Y85 HydrophobicContact CE1-CD2 3.5Å; F81-Y85 HydrophobicContact CE1-CE2 4.05Å; F81-Y85 HydrophobicContact CE1-CG 4.04Å; F81-Y85 AromaticContact CE2-CD2 3.94Å; F81-Y85 HydrophobicContact CE2-CD2 3.94Å; F81-Y85 HydrophobicContact CE2-CE2 4.05Å; F81-Y85 AromaticContact CZ-CD2 3.3Å; F81-Y85 HydrophobicContact CZ-CD2 3.3Å; F81-Y85 AromaticContact CZ-CE2 3.42Å; F81-Y85 HydrophobicContact CZ-CE2 3.42Å; F81-Y85 VanDerWaalsContact CZ-CE2 3.42Å; F81-Y85 HydrophobicContact CZ-CG 4.25Å; F81-Y85 WeakPolarHBondContact O-CB 3.16Å; F81-Y85 PolarHBondContact O-N 3.09Å; Y85-Q88 PolarHBondContact O-N 3.15Å; Y85-F89 WeakPolarHBondContact O-CB 3.38Å; Y85-F89 PolarHBondContact O-N 2.81Å
86	F	51.4	Low	54.1	Low	59 Å²	59	53 Å²	53	26%	0.259	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-40.1	172.2	-173.9	-92.3	0	0	0	112.2	Q82 Q84 F89 T90 I100 L119	Q82-F86 WeakPolarHBondContact O-CB 3.37Å; Q82-F86 PolarHBondContact O-N 3.1Å; Q84-F86 VanDerWaalsContact C-N 3.31Å; Q84-F86 PolarHBondContact O-N 2.86Å; F86-F89 PolarHBondContact O-N 2.78Å; F86-T90 HydrophobicContact CD1-CG2 4.05Å; F86-T90 HydrophobicContact CE1-CG2 3.67Å; F86-T90 HydrophobicContact CE2-CG2 4.37Å; F86-T90 HydrophobicContact CZ-CG2 3.85Å; F86-T90 WeakPolarHBondContact O-CB 3.18Å; F86-T90 WeakPolarHBondContact O-CG2 3.36Å; F86-T90 PolarHBondContact O-N 3.46Å; F86-T90 PolarHBondContact O-OG1 3.48Å; F86-I100 HydrophobicContact CZ-CD1 4.17Å; F86-L119 HydrophobicContact CE2-CD1 4.31Å
87	N	53.8	Low	53.5	Low	66 Å²	66	53.4 Å²	53.4	35%	0.353	26%	0.258	S	S	.	.	H	α-helix	trans	-65.4	-41	174.6	-75.3	-44.8	0	0	0	111.8	E83 Q84 T90 N91	E83-N87 VanDerWaalsContact O-CB 3.31Å; E83-N87 WeakPolarHBondContact O-CB 3.38Å; E83-N87 PolarHBondContact O-N 3.39Å; E83-N87 PolarHBondContact O-ND2 3.06Å; Q84-N87 PolarHBondContact NE2-ND2 2.9Å; Q84-N87 PolarHBondContact O-N 3.27Å; N87-T90 WeakPolarHBondContact CA-OG1 3.35Å; N87-T90 PolarHBondContact O-N 2.86Å; N87-T90 PolarHBondContact O-OG1 2.84Å; N87-N91 WeakPolarHBondContact O-CB 3.4Å; N87-N91 PolarHBondContact O-N 3.26Å; N87-N91 PolarHBondContact O-ND2 3.43Å
88	Q	49.3	Very low	52.8	Low	47 Å²	47	56.7 Å²	56.7	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-43.4	175	-171	-169.7	-2.5	0	0	111.1	I55 Q84 Y85 T90 N91 N92	I55-Q88 HydrophobicContact CD1-CG 4.32Å; Q84-Q88 WeakPolarHBondContact O-CB 3.22Å; Q84-Q88 PolarHBondContact O-N 3.26Å; Y85-Q88 PolarHBondContact O-N 3.15Å; Q88-T90 VanDerWaalsContact C-N 3.34Å; Q88-T90 PolarHBondContact O-N 3.13Å; Q88-N91 PolarHBondContact O-N 3.43Å; Q88-N92 WeakPolarHBondContact O-CB 3.14Å; Q88-N92 PolarHBondContact O-N 2.77Å
89	F	43.5	Very low	52.2	Low	45 Å²	45	55.8 Å²	55.8	20%	0.197	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-45.1	175	-179.2	-109.9	0	0	0	111.2	Y85 F86 N93 I96 L119 I135	Y85-F89 WeakPolarHBondContact O-CB 3.38Å; Y85-F89 PolarHBondContact O-N 2.81Å; F86-F89 PolarHBondContact O-N 2.78Å; F89-N93 WeakPolarHBondContact O-CB 3.28Å; F89-N93 PolarHBondContact O-N 3.41Å; F89-N93 PolarHBondContact O-ND2 2.69Å; F89-I96 HydrophobicContact CD1-CD1 3.86Å; F89-I96 HydrophobicContact CE1-CD1 3.26Å; F89-I96 HydrophobicContact CZ-CD1 3.76Å; F89-L119 HydrophobicContact CE1-CD2 4.18Å; F89-I135 HydrophobicContact CD2-CD1 4.4Å; F89-I135 HydrophobicContact CE2-CD1 4.28Å
90	T	44	Very low	51.6	Low	1 Å²	1	51.8 Å²	51.8	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-77.1	-31.2	179.6	51.5	0	0	0	0	114.3	F86 N87 Q88 N93 N94 I96 L97	F86-T90 HydrophobicContact CD1-CG2 4.05Å; F86-T90 HydrophobicContact CE1-CG2 3.67Å; F86-T90 HydrophobicContact CE2-CG2 4.37Å; F86-T90 HydrophobicContact CZ-CG2 3.85Å; F86-T90 WeakPolarHBondContact O-CB 3.18Å; F86-T90 WeakPolarHBondContact O-CG2 3.36Å; F86-T90 PolarHBondContact O-N 3.46Å; F86-T90 PolarHBondContact O-OG1 3.48Å; N87-T90 WeakPolarHBondContact CA-OG1 3.35Å; N87-T90 PolarHBondContact O-N 2.86Å; N87-T90 PolarHBondContact O-OG1 2.84Å; Q88-T90 VanDerWaalsContact C-N 3.34Å; Q88-T90 PolarHBondContact O-N 3.13Å; T90-N93 CarbonylContact O-C 3.59Å; T90-N93 PolarHBondContact O-N 3.27Å; T90-N94 PolarHBondContact O-N 2.86Å; T90-N94 VanDerWaalsContact O-N 3.11Å; T90-I96 HydrophobicContact CG2-CB 4.26Å; T90-I96 HydrophobicContact CG2-CG2 3.84Å; T90-L97 HydrophobicContact CG2-CD2 4.41Å
91	N	48.4	Very low	51.1	Low	95 Å²	95	55.8 Å²	55.8	51%	0.508	28%	0.283	S	S	.	.	H	α-helix	trans	-67.6	-44.3	172.2	-75.3	-20.8	0	0	0	111.5	N87 Q88 N93 N94	N87-N91 WeakPolarHBondContact O-CB 3.4Å; N87-N91 PolarHBondContact O-N 3.26Å; N87-N91 PolarHBondContact O-ND2 3.43Å; Q88-N91 PolarHBondContact O-N 3.43Å; N91-N93 PolarHBondContact O-N 3.46Å; N91-N94 PolarHBondContact O-ND2 2.84Å
92	N	42	Very low	50.9	Low	124 Å²	124	59.7 Å²	59.7	66%	0.663	30%	0.301	S	S	*	.	H	α-helix	trans	-69	-27.6	173.5	-70.9	-14.7	0	0	0	111.6	Q88	Q88-N92 WeakPolarHBondContact O-CB 3.14Å; Q88-N92 PolarHBondContact O-N 2.77Å
93	N	42.2	Very low	50	Low	23 Å²	23	55.8 Å²	55.8	12%	0.123	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	62.7	174.8	-67	-82.6	0	0	0	111.7	F89 T90 N91 W95 I96	F89-N93 WeakPolarHBondContact O-CB 3.28Å; F89-N93 PolarHBondContact O-N 3.41Å; F89-N93 PolarHBondContact O-ND2 2.69Å; T90-N93 CarbonylContact O-C 3.59Å; T90-N93 PolarHBondContact O-N 3.27Å; N91-N93 PolarHBondContact O-N 3.46Å; N93-W95 PolarHBondContact O-N 3.46Å; N93-W95 PolarHBondContact OD1-NE1 3.31Å; N93-I96 HydrophobicContact CB-CB 4.41Å; N93-I96 HydrophobicContact CB-CD1 3.54Å; N93-I96 HydrophobicContact CB-CG1 3.77Å; N93-I96 WeakPolarHBondContact O-CB 3.34Å; N93-I96 PolarHBondContact O-N 2.98Å
94	N	47.3	Very low	49.6	Very low	109 Å²	109	58.4 Å²	58.4	58%	0.583	29%	0.293	S	S	*	.	H	α-helix	trans	-50	-20.3	176.2	-79.7	-47.5	0	0	0	114.5	T90 N91 I96 L97 S98	T90-N94 PolarHBondContact O-N 2.86Å; T90-N94 VanDerWaalsContact O-N 3.11Å; N91-N94 PolarHBondContact O-ND2 2.84Å; N94-I96 VanDerWaalsContact C-N 3.33Å; N94-L97 PolarHBondContact O-N 2.75Å; N94-S98 PolarHBondContact O-N 2.84Å
95	W	50.5	Low	49.4	Very low	70 Å²	70	63.6 Å²	63.6	27%	0.265	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-30.4	172	72.9	-91.2	0	0	0	113.2	N93 S98 V99 L137 L171	N93-W95 PolarHBondContact O-N 3.46Å; N93-W95 PolarHBondContact OD1-NE1 3.31Å; W95-S98 WeakPolarHBondContact O-CB 3.35Å; W95-S98 PolarHBondContact O-N 3.44Å; W95-V99 HydrophobicContact CE3-CG2 4.04Å; W95-V99 HydrophobicContact CZ3-CG2 4.33Å; W95-V99 WeakPolarHBondContact O-CG2 3.41Å; W95-V99 PolarHBondContact O-N 3.11Å; W95-L137 HydrophobicContact CZ2-CD1 4.44Å; W95-L171 HydrophobicContact CH2-CD2 3.88Å; W95-L171 HydrophobicContact CZ2-CD2 4.05Å; W95-L171 HydrophobicContact CZ3-CD2 4.32Å
96	I	47.7	Very low	49	Very low	6 Å²	6	66.5 Å²	66.5	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-69.8	-41.2	174.5	-59.4	177.8	0	0	0	109.9	F89 T90 N93 N94 S98 V99 I100	F89-I96 HydrophobicContact CD1-CD1 3.86Å; F89-I96 HydrophobicContact CE1-CD1 3.26Å; F89-I96 HydrophobicContact CZ-CD1 3.76Å; T90-I96 HydrophobicContact CG2-CB 4.26Å; T90-I96 HydrophobicContact CG2-CG2 3.84Å; N93-I96 HydrophobicContact CB-CB 4.41Å; N93-I96 HydrophobicContact CB-CD1 3.54Å; N93-I96 HydrophobicContact CB-CG1 3.77Å; N93-I96 WeakPolarHBondContact O-CB 3.34Å; N93-I96 PolarHBondContact O-N 2.98Å; N94-I96 VanDerWaalsContact C-N 3.33Å; I96-S98 VanDerWaalsContact C-N 3.27Å; I96-S98 PolarHBondContact O-N 2.84Å; I96-V99 PolarHBondContact O-N 2.93Å; I96-I100 HydrophobicContact CG2-CD1 3.82Å; I96-I100 HydrophobicContact CG2-CG1 4.3Å; I96-I100 WeakPolarHBondContact O-CB 3.31Å; I96-I100 VanDerWaalsContact O-CG1 3.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.46Å; I96-I100 PolarHBondContact O-N 3.31Å
97	L	51.7	Low	48.8	Very low	58 Å²	58	68.7 Å²	68.7	30%	0.304	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-40.1	170.5	-65	176.8	0	0	0	111.3	T90 N94 I100 N101	T90-L97 HydrophobicContact CG2-CD2 4.41Å; N94-L97 PolarHBondContact O-N 2.75Å; L97-I100 PolarHBondContact O-N 2.78Å; L97-N101 WeakPolarHBondContact O-CB 3.12Å; L97-N101 VanDerWaalsContact O-CG 3.23Å; L97-N101 PolarHBondContact O-N 3.29Å; L97-N101 PolarHBondContact O-ND2 2.79Å
98	S	51.8	Low	48.6	Very low	73 Å²	73	67.1 Å²	67.1	51%	0.51	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-45.1	173.8	-160.1	0	0	0	0	112.1	N94 W95 I96 N101 E102	N94-S98 PolarHBondContact O-N 2.84Å; W95-S98 WeakPolarHBondContact O-CB 3.35Å; W95-S98 PolarHBondContact O-N 3.44Å; I96-S98 VanDerWaalsContact C-N 3.27Å; I96-S98 PolarHBondContact O-N 2.84Å; S98-N101 PolarHBondContact O-N 3.06Å; S98-E102 VanDerWaalsContact O-CB 3.27Å; S98-E102 WeakPolarHBondContact O-CB 3.35Å; S98-E102 PolarHBondContact O-N 3.22Å
99	V	49.2	Very low	48.5	Very low	24 Å²	24	71 Å²	71	15%	0.145	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-39.2	177.4	168.7	0	0	0	0	111.8	W95 I96 E102 M103	W95-V99 HydrophobicContact CE3-CG2 4.04Å; W95-V99 HydrophobicContact CZ3-CG2 4.33Å; W95-V99 WeakPolarHBondContact O-CG2 3.41Å; W95-V99 PolarHBondContact O-N 3.11Å; I96-V99 PolarHBondContact O-N 2.93Å; V99-E102 PolarHBondContact O-N 3.35Å; V99-M103 HydrophobicContact CG1-CE 3.91Å; V99-M103 HydrophobicContact CG1-SD 4.41Å; V99-M103 WeakPolarHBondContact O-CB 3.3Å; V99-M103 VanDerWaalsContact O-CG 3.3Å; V99-M103 WeakPolarHBondContact O-CG 3.47Å; V99-M103 PolarHBondContact O-N 3.43Å
100	I	52.3	Low	48.8	Very low	20 Å²	20	73.8 Å²	73.8	10%	0.103	39%	0.391	C	S	.	.	H	α-helix	trans	-63	-42.3	173.2	-71.8	168.4	0	0	0	110.6	F86 I96 L97 M103 K104 L112	F86-I100 HydrophobicContact CZ-CD1 4.17Å; I96-I100 HydrophobicContact CG2-CD1 3.82Å; I96-I100 HydrophobicContact CG2-CG1 4.3Å; I96-I100 WeakPolarHBondContact O-CB 3.31Å; I96-I100 VanDerWaalsContact O-CG1 3.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.46Å; I96-I100 PolarHBondContact O-N 3.31Å; L97-I100 PolarHBondContact O-N 2.78Å; I100-M103 HydrophobicContact CG1-CE 4.3Å; I100-M103 PolarHBondContact O-N 3.22Å; I100-K104 HydrophobicContact CG2-CD 4.18Å; I100-K104 HydrophobicContact CG2-CG 4.48Å; I100-K104 WeakPolarHBondContact O-CB 3.27Å; I100-K104 WeakPolarHBondContact O-CG 3.41Å; I100-K104 PolarHBondContact O-N 3.42Å; I100-L112 HydrophobicContact CG2-CD1 4.42Å
101	N	55.2	Low	49.2	Very low	85 Å²	85	77.2 Å²	77.2	46%	0.455	41%	0.406	S	S	.	.	H	α-helix	trans	-68.2	-40.5	175.9	-72.3	-16.7	0	0	0	111.8	L97 S98 M103 K104 N105	L97-N101 WeakPolarHBondContact O-CB 3.12Å; L97-N101 VanDerWaalsContact O-CG 3.23Å; L97-N101 PolarHBondContact O-N 3.29Å; L97-N101 PolarHBondContact O-ND2 2.79Å; S98-N101 PolarHBondContact O-N 3.06Å; N101-M103 VanDerWaalsContact C-N 3.27Å; N101-M103 PolarHBondContact O-N 2.86Å; N101-K104 PolarHBondContact O-N 2.85Å; N101-N105 WeakPolarHBondContact O-CB 3.3Å; N101-N105 PolarHBondContact O-N 3.36Å; N101-N105 PolarHBondContact O-ND2 3.12Å; N101-N105 PolarHBondContact O-OD1 3.19Å
102	E	53.9	Low	49.3	Very low	89 Å²	89	74.6 Å²	74.6	42%	0.416	39%	0.392	S	S	.	.	H	α-helix	trans	-61	-34.8	173.2	-164.6	173.1	-174.7	0	0	111	S98 V99 N106 K170	S98-E102 VanDerWaalsContact O-CB 3.27Å; S98-E102 WeakPolarHBondContact O-CB 3.35Å; S98-E102 PolarHBondContact O-N 3.22Å; V99-E102 PolarHBondContact O-N 3.35Å; E102-N106 PolarHBondContact O-ND2 3.29Å; E102-K170 IonicContact OE1-NZ 3.09Å; E102-K170 PolarHBondContact OE1-NZ 3.25Å; E102-K170 IonicContact OE2-NZ 3.7Å; E102-K170 PolarHBondContact OE2-NZ 2.89Å
103	M	39.7	Very low	49.9	Very low	22 Å²	22	75 Å²	75	11%	0.108	39%	0.39	C	S	.	.	H	α-helix	trans	-76.8	-41.2	173.9	-71.2	-174.3	-59	0	0	113.6	V99 I100 N101 N105 N106 L112 C115	V99-M103 HydrophobicContact CG1-CE 3.91Å; V99-M103 HydrophobicContact CG1-SD 4.41Å; V99-M103 WeakPolarHBondContact O-CB 3.3Å; V99-M103 VanDerWaalsContact O-CG 3.3Å; V99-M103 WeakPolarHBondContact O-CG 3.47Å; V99-M103 PolarHBondContact O-N 3.43Å; I100-M103 HydrophobicContact CG1-CE 4.3Å; I100-M103 PolarHBondContact O-N 3.22Å; N101-M103 VanDerWaalsContact C-N 3.27Å; N101-M103 PolarHBondContact O-N 2.86Å; M103-N105 VanDerWaalsContact C-N 3.33Å; M103-N105 PolarHBondContact O-N 2.82Å; M103-N106 PolarHBondContact O-N 3.34Å; M103-L112 HydrophobicContact CE-CD1 4.06Å; M103-C115 HydrophobicContact CE-CB 4.04Å; M103-C115 HydrophobicContact SD-CB 4.23Å; M103-C115 VanDerWaalsContact SD-SG 3.65Å
104	K	54.8	Low	50.4	Low	130 Å²	130	75.9 Å²	75.9	57%	0.565	40%	0.396	S	S	*	.	H	α-helix	trans	-60.2	-42.7	175	-78.4	177.8	177.4	-179.3	0	111.8	I100 N101 N106 S107	I100-K104 HydrophobicContact CG2-CD 4.18Å; I100-K104 HydrophobicContact CG2-CG 4.48Å; I100-K104 WeakPolarHBondContact O-CB 3.27Å; I100-K104 WeakPolarHBondContact O-CG 3.41Å; I100-K104 PolarHBondContact O-N 3.42Å; N101-K104 PolarHBondContact O-N 2.85Å; K104-N106 PolarHBondContact O-N 3.46Å; K104-S107 PolarHBondContact O-N 2.86Å
105	N	55.1	Low	50.4	Low	140 Å²	140	71.6 Å²	71.6	75%	0.749	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.2	179.7	-68.4	-8.5	0	0	0	113.4	N101 M103	N101-N105 WeakPolarHBondContact O-CB 3.3Å; N101-N105 PolarHBondContact O-N 3.36Å; N101-N105 PolarHBondContact O-ND2 3.12Å; N101-N105 PolarHBondContact O-OD1 3.19Å; M103-N105 VanDerWaalsContact C-N 3.33Å; M103-N105 PolarHBondContact O-N 2.82Å
106	N	46.1	Very low	50.5	Low	111 Å²	111	71.6 Å²	71.6	59%	0.594	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	7.2	179.6	-79.4	-54.6	0	0	0	113.9	E102 M103 K104 V108	E102-N106 PolarHBondContact O-ND2 3.29Å; M103-N106 PolarHBondContact O-N 3.34Å; K104-N106 PolarHBondContact O-N 3.46Å; N106-V108 VanDerWaalsContact C-N 3.29Å; N106-V108 HydrophobicContact CB-CG2 4.16Å; N106-V108 WeakPolarHBondContact O-CG2 3.16Å; N106-V108 PolarHBondContact O-N 3.16Å
107	S	46.3	Very low	50.7	Low	104 Å²	104	75 Å²	75	73%	0.727	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	28.3	174.5	-151.2	0	0	0	0	115.6	K104	K104-S107 PolarHBondContact O-N 2.86Å
108	V	48.8	Very low	50.6	Low	33 Å²	33	74.6 Å²	74.6	20%	0.2	39%	0.394	C	S	.	.			trans	-107.7	72.4	-175.8	-149.1	0	0	0	0	113.2	N106 H110 K111 L112	N106-V108 VanDerWaalsContact C-N 3.29Å; N106-V108 HydrophobicContact CB-CG2 4.16Å; N106-V108 WeakPolarHBondContact O-CG2 3.16Å; N106-V108 PolarHBondContact O-N 3.16Å; V108-H110 VanDerWaalsContact C-N 3.3Å; V108-H110 WeakPolarHBondContact CG1-CE1 3.1Å; V108-H110 PolarHBondContact O-N 3.37Å; V108-K111 HydrophobicContact CB-CB 4.09Å; V108-K111 HydrophobicContact CB-CD 4.02Å; V108-K111 HydrophobicContact CB-CG 4.14Å; V108-K111 HydrophobicContact CG1-CB 3.97Å; V108-K111 HydrophobicContact CG1-CD 3.56Å; V108-K111 HydrophobicContact CG1-CG 3.55Å; V108-K111 HydrophobicContact CG2-CD 4.39Å; V108-K111 PolarHBondContact O-N 3.01Å; V108-L112 PolarHBondContact O-N 3.22Å; V108-L112 VanDerWaalsContact O-N 3.16Å
109	N	48.2	Very low	50.4	Low	129 Å²	129	73.2 Å²	73.2	69%	0.69	38%	0.381	S	S	*	.	H	α-helix	trans	-55	-38.6	-178.9	-71.7	-30.4	0	0	0	113.6	K111 L112 E113	N109-K111 VanDerWaalsContact C-N 3.3Å; N109-K111 PolarHBondContact O-N 3.25Å; N109-L112 WeakPolarHBondContact O-CB 3.36Å; N109-L112 PolarHBondContact O-N 2.75Å; N109-E113 PolarHBondContact O-N 3.04Å; N109-E113 VanDerWaalsContact O-N 3.12Å
110	H	50.7	Low	50.3	Low	103 Å²	103	77.2 Å²	77.2	48%	0.477	40%	0.401	S	S	.	.	H	α-helix	trans	-66.4	-29.5	177.4	76.1	-104.7	0	0	0	113.2	V108 T114	V108-H110 VanDerWaalsContact C-N 3.3Å; V108-H110 WeakPolarHBondContact CG1-CE1 3.1Å; V108-H110 PolarHBondContact O-N 3.37Å; H110-T114 WeakPolarHBondContact O-CB 3.16Å; H110-T114 PolarHBondContact O-N 3.37Å; H110-T114 PolarHBondContact O-OG1 2.79Å
111	K	51.8	Low	49.9	Very low	73 Å²	73	83.2 Å²	83.2	32%	0.317	43%	0.428	S	S	.	.	H	α-helix	trans	-75.8	-33.1	174.8	-68.1	-179.7	-170.9	161.8	0	111.1	V108 N109 T114 C115	V108-K111 HydrophobicContact CB-CB 4.09Å; V108-K111 HydrophobicContact CB-CD 4.02Å; V108-K111 HydrophobicContact CB-CG 4.14Å; V108-K111 HydrophobicContact CG1-CB 3.97Å; V108-K111 HydrophobicContact CG1-CD 3.56Å; V108-K111 HydrophobicContact CG1-CG 3.55Å; V108-K111 HydrophobicContact CG2-CD 4.39Å; V108-K111 PolarHBondContact O-N 3.01Å; N109-K111 VanDerWaalsContact C-N 3.3Å; N109-K111 PolarHBondContact O-N 3.25Å; K111-T114 PolarHBondContact O-N 3.15Å; K111-C115 WeakPolarHBondContact O-CB 3.16Å; K111-C115 PolarHBondContact O-N 2.86Å; K111-C115 PolarHBondContact O-SG 3.45Å; K111-C115 VanDerWaalsContact O-SG 3.37Å
112	L	49.8	Very low	49.2	Very low	41 Å²	41	82 Å²	82	22%	0.215	42%	0.421	C	S	.	.	H	α-helix	trans	-60.9	-49.3	172.8	-168.7	71.8	0	0	0	110.7	I100 M103 V108 N109 C115 Q116	I100-L112 HydrophobicContact CG2-CD1 4.42Å; M103-L112 HydrophobicContact CE-CD1 4.06Å; V108-L112 PolarHBondContact O-N 3.22Å; V108-L112 VanDerWaalsContact O-N 3.16Å; N109-L112 WeakPolarHBondContact O-CB 3.36Å; N109-L112 PolarHBondContact O-N 2.75Å; L112-C115 PolarHBondContact O-N 3.23Å; L112-Q116 WeakPolarHBondContact O-CB 3.32Å; L112-Q116 PolarHBondContact O-N 3.08Å
113	E	53.9	Low	48.6	Very low	131 Å²	131	80.7 Å²	80.7	61%	0.612	42%	0.422	S	S	*	.	H	α-helix	trans	-62.7	-41.7	176.7	-174.3	170.5	-163.6	0	0	112.4	N109 C115 Q116 N117	N109-E113 PolarHBondContact O-N 3.04Å; N109-E113 VanDerWaalsContact O-N 3.12Å; E113-C115 PolarHBondContact O-N 3.35Å; E113-Q116 VanDerWaalsContact O-CB 3.31Å; E113-Q116 WeakPolarHBondContact O-CB 3.34Å; E113-Q116 PolarHBondContact O-N 3.09Å; E113-N117 WeakPolarHBondContact O-CB 3.36Å; E113-N117 VanDerWaalsContact O-CG 3.29Å; E113-N117 PolarHBondContact O-N 3.35Å; E113-N117 PolarHBondContact O-ND2 3.3Å
114	T	53.3	Low	48.6	Very low	42 Å²	42	82.3 Å²	82.3	26%	0.258	43%	0.431	S	S	.	.	H	α-helix	trans	-61.3	-44.2	174.7	-56.6	0	0	0	0	111.6	H110 K111 N117 I118 T156	H110-T114 WeakPolarHBondContact O-CB 3.16Å; H110-T114 PolarHBondContact O-N 3.37Å; H110-T114 PolarHBondContact O-OG1 2.79Å; K111-T114 PolarHBondContact O-N 3.15Å; T114-N117 PolarHBondContact O-N 3.41Å; T114-I118 HydrophobicContact CG2-CD1 4.12Å; T114-I118 VanDerWaalsContact O-CG1 3.3Å; T114-I118 WeakPolarHBondContact O-CG1 3.39Å; T114-I118 PolarHBondContact O-N 2.66Å; T114-T156 HydrophobicContact CG2-CG2 4.16Å
115	C	48.5	Very low	47.9	Very low	20 Å²	20	82.5 Å²	82.5	14%	0.135	43%	0.434	C	S	.	.	H	α-helix	trans	-67.4	-35.1	174.1	-73.9	0	0	0	0	112.3	M103 K111 L112 E113 I118 L119	M103-C115 HydrophobicContact CE-CB 4.04Å; M103-C115 HydrophobicContact SD-CB 4.23Å; M103-C115 VanDerWaalsContact SD-SG 3.65Å; K111-C115 WeakPolarHBondContact O-CB 3.16Å; K111-C115 PolarHBondContact O-N 2.86Å; K111-C115 PolarHBondContact O-SG 3.45Å; K111-C115 VanDerWaalsContact O-SG 3.37Å; L112-C115 PolarHBondContact O-N 3.23Å; E113-C115 PolarHBondContact O-N 3.35Å; C115-I118 PolarHBondContact O-N 3.23Å; C115-L119 WeakPolarHBondContact O-CB 3.21Å; C115-L119 WeakPolarHBondContact O-CD1 3.42Å; C115-L119 WeakPolarHBondContact O-CG 3.2Å; C115-L119 PolarHBondContact O-N 2.89Å
116	Q	51.7	Low	47.2	Very low	70 Å²	70	79.9 Å²	79.9	33%	0.327	42%	0.417	S	S	.	.	H	α-helix	trans	-60.2	-47.3	172.2	-146.2	87.7	26.4	0	0	110	L112 E113 L119 N120	L112-Q116 WeakPolarHBondContact O-CB 3.32Å; L112-Q116 PolarHBondContact O-N 3.08Å; E113-Q116 VanDerWaalsContact O-CB 3.31Å; E113-Q116 WeakPolarHBondContact O-CB 3.34Å; E113-Q116 PolarHBondContact O-N 3.09Å; Q116-L119 PolarHBondContact O-N 3.19Å; Q116-N120 VanDerWaalsContact O-CB 3.32Å; Q116-N120 WeakPolarHBondContact O-CB 3.48Å; Q116-N120 PolarHBondContact O-N 2.77Å; Q116-N120 PolarHBondContact O-ND2 3.32Å; Q116-N120 PolarHBondContact O-OD1 2.73Å
117	N	52.2	Low	47	Very low	76 Å²	76	76.2 Å²	76.2	41%	0.406	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-41.9	178.1	-70.1	-21.8	0	0	0	112.1	E113 T114 N120 H121	E113-N117 WeakPolarHBondContact O-CB 3.36Å; E113-N117 VanDerWaalsContact O-CG 3.29Å; E113-N117 PolarHBondContact O-N 3.35Å; E113-N117 PolarHBondContact O-ND2 3.3Å; T114-N117 PolarHBondContact O-N 3.41Å; N117-N120 PolarHBondContact O-N 2.81Å; N117-H121 WeakPolarHBondContact O-CB 3.49Å; N117-H121 PolarHBondContact O-CD2 3.46Å; N117-H121 VanDerWaalsContact O-CD2 3.24Å; N117-H121 PolarHBondContact O-N 2.88Å
118	I	49	Very low	46.9	Very low	50 Å²	50	77.9 Å²	77.9	26%	0.256	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-45.8	172.9	-69.1	163.8	0	0	0	110.5	T114 C115 H121 I122	T114-I118 HydrophobicContact CG2-CD1 4.12Å; T114-I118 VanDerWaalsContact O-CG1 3.3Å; T114-I118 WeakPolarHBondContact O-CG1 3.39Å; T114-I118 PolarHBondContact O-N 2.66Å; C115-I118 PolarHBondContact O-N 3.23Å; I118-H121 PolarHBondContact O-N 2.75Å; I118-I122 WeakPolarHBondContact O-CG1 3.3Å; I118-I122 PolarHBondContact O-N 3.06Å
119	L	48.7	Very low	46.5	Very low	45 Å²	45	80.7 Å²	80.7	24%	0.236	41%	0.412	C	S	.	.	H	α-helix	trans	-64.8	-38.5	177.8	-72.8	167.1	0	0	0	112.4	F86 F89 C115 Q116 H121 I122	F86-L119 HydrophobicContact CE2-CD1 4.31Å; F89-L119 HydrophobicContact CE1-CD2 4.18Å; C115-L119 WeakPolarHBondContact O-CB 3.21Å; C115-L119 WeakPolarHBondContact O-CD1 3.42Å; C115-L119 WeakPolarHBondContact O-CG 3.2Å; C115-L119 PolarHBondContact O-N 2.89Å; Q116-L119 PolarHBondContact O-N 3.19Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-I122 HydrophobicContact CD2-CD1 4.39Å; L119-I122 PolarHBondContact O-N 2.67Å
120	N	47.3	Very low	46.4	Very low	108 Å²	108	77.4 Å²	77.4	58%	0.578	39%	0.394	S	S	*	.	H	α-helix	trans	-69.8	-26.9	176.4	-66.6	-18.8	0	0	0	112.7	Q116 N117	Q116-N120 VanDerWaalsContact O-CB 3.32Å; Q116-N120 WeakPolarHBondContact O-CB 3.48Å; Q116-N120 PolarHBondContact O-N 2.77Å; Q116-N120 PolarHBondContact O-ND2 3.32Å; Q116-N120 PolarHBondContact O-OD1 2.73Å; N117-N120 PolarHBondContact O-N 2.81Å
121	H	42.7	Very low	46.3	Very low	146 Å²	146	80.5 Å²	80.5	68%	0.676	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-2.7	177.9	-84.7	-67.2	0	0	0	114.4	N117 I118 L119 S123	N117-H121 WeakPolarHBondContact O-CB 3.49Å; N117-H121 PolarHBondContact O-CD2 3.46Å; N117-H121 VanDerWaalsContact O-CD2 3.24Å; N117-H121 PolarHBondContact O-N 2.88Å; I118-H121 PolarHBondContact O-N 2.75Å; L119-H121 VanDerWaalsContact C-N 3.32Å; H121-S123 PolarHBondContact O-N 3.47Å; H121-S123 VanDerWaalsContact O-N 3.08Å
122	I	40.6	Very low	45.8	Very low	60 Å²	60	84 Å²	84	31%	0.308	42%	0.424	S	S	.	.	S	Bend	trans	-76.9	93.6	168.5	-65.7	164.4	0	0	0	107.9	I118 L119 L124	I118-I122 WeakPolarHBondContact O-CG1 3.3Å; I118-I122 PolarHBondContact O-N 3.06Å; L119-I122 HydrophobicContact CD2-CD1 4.39Å; L119-I122 PolarHBondContact O-N 2.67Å; I122-L124 PolarHBondContact O-N 3.28Å
123	S	41.2	Very low	45.1	Very low	61 Å²	61	84.6 Å²	84.6	43%	0.427	44%	0.439	S	S	.	.			trans	-52.9	125.5	167.9	-71.3	0	0	0	0	110	H121 E125 H140	H121-S123 PolarHBondContact O-N 3.47Å; H121-S123 VanDerWaalsContact O-N 3.08Å; S123-E125 PolarHBondContact O-N 3.45Å; S123-H140 PolarHBondContact O-NE2 3.07Å
124	L	40.7	Very low	44.5	Very low	56 Å²	56	82.8 Å²	82.8	29%	0.293	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-73.7	-17.5	-175.3	-78.5	157.1	0	0	0	111.9	D14 I122 Q126 V127	D14-L124 PolarHBondContact OD2-N 3.09Å; I122-L124 PolarHBondContact O-N 3.28Å; L124-Q126 PolarHBondContact O-N 2.93Å; L124-V127 HydrophobicContact CD2-CG2 4.19Å; L124-V127 WeakPolarHBondContact O-CB 3.44Å; L124-V127 PolarHBondContact O-N 3.25Å; L124-V127 VanDerWaalsContact O-N 3.1Å
125	E	39	Very low	44	Very low	134 Å²	134	83.5 Å²	83.5	63%	0.626	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-53.3	-23.2	174.9	-61.5	-174.8	142.8	0	0	115.2	D14 S123	D14-E125 HydrophobicContact CB-CG 4.43Å; S123-E125 PolarHBondContact O-N 3.45Å
126	Q	41.4	Very low	43.7	Very low	84 Å²	84	84.5 Å²	84.5	39%	0.393	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-105.9	6.6	-176.9	-69.6	173.1	-3.2	0	0	113.5	L124 Q128 H140 N144	L124-Q126 PolarHBondContact O-N 2.93Å; Q126-Q128 PolarHBondContact O-N 2.94Å; Q126-Q128 VanDerWaalsContact O-N 3.09Å; Q126-H140 VanDerWaalsContact CB-CE1 3.42Å; Q126-H140 WeakPolarHBondContact CB-CE1 3.33Å; Q126-H140 WeakPolarHBondContact CB-NE2 3.41Å; Q126-H140 PolarHBondContact O-CD2 2.88Å; Q126-H140 VanDerWaalsContact O-CD2 3.25Å; Q126-H140 PolarHBondContact OE1-CE1 3.34Å; Q126-N144 PolarHBondContact OE1-ND2 2.8Å
127	V	41.9	Very low	43.2	Very low	35 Å²	35	82.8 Å²	82.8	21%	0.212	44%	0.435	C	S	.	.			trans	-78.4	89.7	175.4	170.3	0	0	0	0	110.5	L124 I135	L124-V127 HydrophobicContact CD2-CG2 4.19Å; L124-V127 WeakPolarHBondContact O-CB 3.44Å; L124-V127 PolarHBondContact O-N 3.25Å; L124-V127 VanDerWaalsContact O-N 3.1Å; V127-I135 HydrophobicContact CG1-CB 4.08Å; V127-I135 HydrophobicContact CG1-CD1 3.84Å; V127-I135 HydrophobicContact CG1-CG1 3.55Å; V127-I135 HydrophobicContact CG1-CG2 3.59Å
128	Q	43.3	Very low	42.7	Very low	139 Å²	139	81.2 Å²	81.2	65%	0.65	43%	0.431	S	S	*	.			trans	-73.9	127.7	168.3	-71.5	-174.4	-12.3	0	0	111	Q126 C136	Q126-Q128 PolarHBondContact O-N 2.94Å; Q126-Q128 VanDerWaalsContact O-N 3.09Å; Q128-C136 PolarHBondContact O-N 2.85Å
129	T	40.6	Very low	42.4	Very low	91 Å²	91	81.4 Å²	81.4	56%	0.558	43%	0.432	S	S	*	.	B	Isolated β-bridge	trans	-90.2	142.5	168.1	49.7	0	0	0	0	110.8	N134 I135	T129-N134 CarbonylContact C-O 3.47Å; T129-N134 VanDerWaalsContact CA-O 3.3Å; T129-N134 WeakPolarHBondContact CA-O 3.18Å; T129-I135 HydrophobicContact CG2-CG1 4.15Å
130	D	46.8	Very low	41.9	Very low	60 Å²	60	80 Å²	80	32%	0.321	42%	0.424	S	S	.	.			trans	-72.6	178	169.7	75.2	5.6	0	0	0	111.6	Q132 G133 N134	D130-Q132 PolarHBondContact O-N 3.44Å; D130-Q132 VanDerWaalsContact OD1-C 3.3Å; D130-Q132 VanDerWaalsContact OD1-CA 3.26Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.19Å; D130-Q132 VanDerWaalsContact OD1-CB 3.3Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.45Å; D130-Q132 PolarHBondContact OD1-N 2.91Å; D130-G133 PolarHBondContact O-N 3.34Å; D130-G133 PolarHBondContact OD1-N 2.83Å; D130-N134 PolarHBondContact N-O 2.89Å; D130-N134 PolarHBondContact OD1-N 3.42Å; D130-N134 PolarHBondContact OD1-ND2 3.24Å; D130-N134 WeakPolarHBondContact OD2-CB 3.35Å; D130-N134 PolarHBondContact OD2-ND2 3.19Å
131	K	47.1	Very low	41.6	Very low	169 Å²	169	78 Å²	78	74%	0.735	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	0.5	179	-64.6	177.7	-177.6	172	0	113.9
132	Q	42.2	Very low	41.8	Very low	147 Å²	147	76.7 Å²	76.7	69%	0.687	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	1.2	178.1	-74.1	64.4	70.3	0	0	111.6	D130 N134	D130-Q132 PolarHBondContact O-N 3.44Å; D130-Q132 VanDerWaalsContact OD1-C 3.3Å; D130-Q132 VanDerWaalsContact OD1-CA 3.26Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.19Å; D130-Q132 VanDerWaalsContact OD1-CB 3.3Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.45Å; D130-Q132 PolarHBondContact OD1-N 2.91Å; Q132-N134 VanDerWaalsContact C-N 3.32Å; Q132-N134 VanDerWaalsContact CB-ND2 3.35Å; Q132-N134 WeakPolarHBondContact CB-ND2 3.37Å
133	G	35.3	Very low	42	Very low	52 Å²	52	80.7 Å²	80.7	54%	0.536	43%	0.427	S	S	.	.	S	Bend	trans	82.1	5.1	-176.8	0	0	0	0	0	114.3	D130	D130-G133 PolarHBondContact O-N 3.34Å; D130-G133 PolarHBondContact OD1-N 2.83Å
134	N	40.5	Very low	41.9	Very low	94 Å²	94	80.2 Å²	80.2	50%	0.503	42%	0.419	S	S	.	.			trans	-78.6	133.9	176.3	-48.6	-65.2	0	0	0	110	T129 D130 Q132 C136	T129-N134 CarbonylContact C-O 3.47Å; T129-N134 VanDerWaalsContact CA-O 3.3Å; T129-N134 WeakPolarHBondContact CA-O 3.18Å; D130-N134 PolarHBondContact N-O 2.89Å; D130-N134 PolarHBondContact OD1-N 3.42Å; D130-N134 PolarHBondContact OD1-ND2 3.24Å; D130-N134 WeakPolarHBondContact OD2-CB 3.35Å; D130-N134 PolarHBondContact OD2-ND2 3.19Å; Q132-N134 VanDerWaalsContact C-N 3.32Å; Q132-N134 VanDerWaalsContact CB-ND2 3.35Å; Q132-N134 WeakPolarHBondContact CB-ND2 3.37Å; N134-C136 PolarHBondContact O-N 3.42Å
135	I	42.4	Very low	42	Very low	56 Å²	56	80.1 Å²	80.1	29%	0.287	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-69.4	114.3	176.2	-70.5	170.7	0	0	0	109.9	F89 V127 T129 L137	F89-I135 HydrophobicContact CD2-CD1 4.4Å; F89-I135 HydrophobicContact CE2-CD1 4.28Å; V127-I135 HydrophobicContact CG1-CB 4.08Å; V127-I135 HydrophobicContact CG1-CD1 3.84Å; V127-I135 HydrophobicContact CG1-CG1 3.55Å; V127-I135 HydrophobicContact CG1-CG2 3.59Å; T129-I135 HydrophobicContact CG2-CG1 4.15Å; I135-L137 VanDerWaalsContact C-N 3.29Å; I135-L137 HydrophobicContact CG2-CD1 4Å; I135-L137 HydrophobicContact CG2-CG 3.81Å; I135-L137 PolarHBondContact O-N 3.48Å
136	C	43	Very low	42.1	Very low	41 Å²	41	81.9 Å²	81.9	28%	0.277	43%	0.432	S	S	.	.			trans	-84.3	69.1	179.7	-158.7	0	0	0	0	111.2	Q128 N134 S138 D139	Q128-C136 PolarHBondContact O-N 2.85Å; N134-C136 PolarHBondContact O-N 3.42Å; C136-S138 PolarHBondContact O-N 3.03Å; C136-S138 PolarHBondContact SG-OG 2.74Å; C136-D139 PolarHBondContact O-N 3.37Å; C136-D139 PolarHBondContact SG-OD2 2.7Å
137	L	40.7	Very low	42	Very low	34 Å²	34	86.1 Å²	86.1	18%	0.178	45%	0.449	C	S	.	.	H	α-helix	trans	-55.7	-20.1	179.1	-94.8	150.4	0	0	0	114	W95 I135 D139 L141	W95-L137 HydrophobicContact CZ2-CD1 4.44Å; I135-L137 VanDerWaalsContact C-N 3.29Å; I135-L137 HydrophobicContact CG2-CD1 4Å; I135-L137 HydrophobicContact CG2-CG 3.81Å; I135-L137 PolarHBondContact O-N 3.48Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 2.83Å; L137-L141 VanDerWaalsContact O-CB 3.28Å; L137-L141 WeakPolarHBondContact O-CB 3.3Å; L137-L141 VanDerWaalsContact O-CG 3.25Å; L137-L141 WeakPolarHBondContact O-CG 3.3Å; L137-L141 PolarHBondContact O-N 3.13Å
138	S	42.3	Very low	42.1	Very low	44 Å²	44	87.6 Å²	87.6	31%	0.308	46%	0.461	S	S	.	.	H	α-helix	trans	-65.5	-28.9	178.7	54.6	0	0	0	0	114	C136 K142	C136-S138 PolarHBondContact O-N 3.03Å; C136-S138 PolarHBondContact SG-OG 2.74Å; S138-K142 WeakPolarHBondContact O-CD 3.35Å; S138-K142 WeakPolarHBondContact O-CG 3.26Å; S138-K142 PolarHBondContact O-N 2.97Å
139	D	42	Very low	41.8	Very low	54 Å²	54	83.3 Å²	83.3	29%	0.289	44%	0.442	S	S	.	.	H	α-helix	trans	-96	-31	-176.5	-56.6	-42	0	0	0	111.4	C136 L137 K142 L143	C136-D139 PolarHBondContact O-N 3.37Å; C136-D139 PolarHBondContact SG-OD2 2.7Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 2.83Å; D139-K142 PolarHBondContact O-N 3.41Å; D139-K142 IonicContact OD1-NZ 3.49Å; D139-K142 PolarHBondContact OD1-NZ 2.82Å; D139-L143 PolarHBondContact O-N 3.3Å
140	H	38.6	Very low	41.7	Very low	16 Å²	16	81.7 Å²	81.7	7%	0.074	43%	0.432	C	S	.	.	H	α-helix	trans	-60.7	-47.9	166	-168.5	-19.1	0	0	0	111.3	S123 Q126 K142 L143 N144	S123-H140 PolarHBondContact O-NE2 3.07Å; Q126-H140 VanDerWaalsContact CB-CE1 3.42Å; Q126-H140 WeakPolarHBondContact CB-CE1 3.33Å; Q126-H140 WeakPolarHBondContact CB-NE2 3.41Å; Q126-H140 PolarHBondContact O-CD2 2.88Å; Q126-H140 VanDerWaalsContact O-CD2 3.25Å; Q126-H140 PolarHBondContact OE1-CE1 3.34Å; H140-K142 PolarHBondContact O-N 2.83Å; H140-L143 PolarHBondContact O-N 3.49Å; H140-N144 PolarHBondContact CE1-ND2 3.04Å; H140-N144 PolarHBondContact ND1-ND2 2.84Å; H140-N144 PolarHBondContact O-N 3.46Å; H140-N144 VanDerWaalsContact O-N 3.09Å
141	L	41	Very low	41.5	Very low	65 Å²	65	83.9 Å²	83.9	34%	0.34	44%	0.444	S	S	.	.	H	α-helix	trans	-59.1	-44.9	173.5	-74.4	170.4	0	0	0	111.1	L137 L143 N144 S145 L149 L171	L137-L141 VanDerWaalsContact O-CB 3.28Å; L137-L141 WeakPolarHBondContact O-CB 3.3Å; L137-L141 VanDerWaalsContact O-CG 3.25Å; L137-L141 WeakPolarHBondContact O-CG 3.3Å; L137-L141 PolarHBondContact O-N 3.13Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 2.8Å; L141-N144 PolarHBondContact O-N 3.36Å; L141-S145 WeakPolarHBondContact O-CA 3.43Å; L141-S145 WeakPolarHBondContact O-CB 3.47Å; L141-S145 PolarHBondContact O-N 3.02Å; L141-S145 PolarHBondContact O-OG 3.27Å; L141-L149 HydrophobicContact CD2-CD1 4.01Å; L141-L171 HydrophobicContact CD1-CD1 4.14Å
142	K	46.5	Very low	41.1	Very low	118 Å²	118	79 Å²	79	51%	0.513	43%	0.425	S	S	.	.	H	α-helix	trans	-62.7	-33.6	176.8	-75.4	168.8	-160.2	154.4	0	114.4	S138 D139 H140	S138-K142 WeakPolarHBondContact O-CD 3.35Å; S138-K142 WeakPolarHBondContact O-CG 3.26Å; S138-K142 PolarHBondContact O-N 2.97Å; D139-K142 PolarHBondContact O-N 3.41Å; D139-K142 IonicContact OD1-NZ 3.49Å; D139-K142 PolarHBondContact OD1-NZ 2.82Å; H140-K142 PolarHBondContact O-N 2.83Å
143	L	45	Very low	40.9	Very low	145 Å²	145	74.6 Å²	74.6	76%	0.759	41%	0.41	S	S	*	.	H	α-helix	trans	-75.4	-32.8	178.3	-105.4	73.4	0	0	0	112.6	D139 H140 L141	D139-L143 PolarHBondContact O-N 3.3Å; H140-L143 PolarHBondContact O-N 3.49Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 2.8Å
144	N	38.6	Very low	41.1	Very low	50 Å²	50	77 Å²	77	27%	0.267	41%	0.411	S	S	.	.	H	α-helix	trans	-92.9	-22.2	177.5	-82.2	-49.5	0	0	0	114.9	Q126 H140 L141 Q146 L149	Q126-N144 PolarHBondContact OE1-ND2 2.8Å; H140-N144 PolarHBondContact CE1-ND2 3.04Å; H140-N144 PolarHBondContact ND1-ND2 2.84Å; H140-N144 PolarHBondContact O-N 3.46Å; H140-N144 VanDerWaalsContact O-N 3.09Å; L141-N144 PolarHBondContact O-N 3.36Å; N144-Q146 PolarHBondContact O-N 2.84Å; N144-Q146 VanDerWaalsContact O-N 3.09Å; N144-L149 HydrophobicContact CB-CD1 4.35Å
145	S	43.1	Very low	41.1	Very low	55 Å²	55	79.3 Å²	79.3	39%	0.385	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	82.7	-178.3	75.3	0	0	0	0	111.5	L141	L141-S145 WeakPolarHBondContact O-CA 3.43Å; L141-S145 WeakPolarHBondContact O-CB 3.47Å; L141-S145 PolarHBondContact O-N 3.02Å; L141-S145 PolarHBondContact O-OG 3.27Å
146	Q	41	Very low	41.1	Very low	170 Å²	170	78.4 Å²	78.4	79%	0.794	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-161.6	-21.3	144.8	-113.7	171.6	36.4	0	0	113.3	N144 T150	N144-Q146 PolarHBondContact O-N 2.84Å; N144-Q146 VanDerWaalsContact O-N 3.09Å; Q146-T150 PolarHBondContact O-OG1 2.96Å
147	K	40.8	Very low	41.1	Very low	174 Å²	174	85.9 Å²	85.9	76%	0.757	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-47.7	178.3	-63.5	-174.7	179.6	-177.6	0	114.1	N151	K147-N151 PolarHBondContact O-N 2.83Å; K147-N151 VanDerWaalsContact O-N 3.07Å
148	S	43	Very low	41.1	Very low	65 Å²	65	90.1 Å²	90.1	46%	0.455	47%	0.47	S	S	.	.	H	α-helix	trans	-71	-56.1	-175.9	-169.3	0	0	0	0	112.2	T150 N151 I152	S148-T150 PolarHBondContact O-N 3.36Å; S148-N151 PolarHBondContact O-N 3.33Å; S148-I152 WeakPolarHBondContact O-CG1 3.41Å; S148-I152 PolarHBondContact O-N 3.23Å
149	L	37.2	Very low	41.2	Very low	49 Å²	49	89.9 Å²	89.9	26%	0.257	47%	0.466	S	S	.	.	H	α-helix	trans	-60.6	-32.5	174.4	-80.5	163.9	0	0	0	112.6	L141 N144 I152 C153	L141-L149 HydrophobicContact CD2-CD1 4.01Å; N144-L149 HydrophobicContact CB-CD1 4.35Å; L149-I152 PolarHBondContact O-N 3.01Å; L149-C153 VanDerWaalsContact O-CB 3.27Å; L149-C153 WeakPolarHBondContact O-CB 3.17Å; L149-C153 PolarHBondContact O-N 3.43Å; L149-C153 PolarHBondContact O-SG 3.44Å
150	T	39.4	Very low	41.5	Very low	58 Å²	58	90.4 Å²	90.4	36%	0.356	47%	0.474	S	S	.	.	H	α-helix	trans	-65.3	-45.1	177	-37.7	0	0	0	0	111.2	Q146 S148 C153 N154	Q146-T150 PolarHBondContact O-OG1 2.96Å; S148-T150 PolarHBondContact O-N 3.36Å; T150-C153 PolarHBondContact O-N 2.89Å; T150-N154 VanDerWaalsContact O-CB 3.22Å; T150-N154 WeakPolarHBondContact O-CB 3.26Å; T150-N154 PolarHBondContact O-N 3.25Å; T150-N154 PolarHBondContact O-ND2 3.1Å; T150-N154 PolarHBondContact O-OD1 3.06Å
151	N	41.5	Very low	41.9	Very low	106 Å²	106	92.6 Å²	92.6	57%	0.567	49%	0.488	S	S	*	.	H	α-helix	trans	-67	-38.8	175.6	-80.7	1.5	0	0	0	112.7	K147 S148 N154 N155	K147-N151 PolarHBondContact O-N 2.83Å; K147-N151 VanDerWaalsContact O-N 3.07Å; S148-N151 PolarHBondContact O-N 3.33Å; N151-N154 PolarHBondContact O-N 2.88Å; N151-N155 PolarHBondContact O-N 3.25Å; N151-N155 PolarHBondContact O-ND2 3.01Å
152	I	39.2	Very low	42.3	Very low	65 Å²	65	94.9 Å²	94.9	33%	0.333	50%	0.501	S	S	.	.	H	α-helix	trans	-65	-45.1	177	-65.7	166.7	0	0	0	110.4	S148 L149 N155 T156	S148-I152 WeakPolarHBondContact O-CG1 3.41Å; S148-I152 PolarHBondContact O-N 3.23Å; L149-I152 PolarHBondContact O-N 3.01Å; I152-N155 PolarHBondContact O-N 2.89Å; I152-T156 PolarHBondContact O-N 3.08Å; I152-T156 PolarHBondContact O-OG1 3.26Å
153	C	37.4	Very low	42.3	Very low	55 Å²	55	92.4 Å²	92.4	37%	0.372	49%	0.49	S	S	.	.	H	α-helix	trans	-70.2	-34.2	177.2	-69.6	0	0	0	0	113.5	L149 T150 N155 T156	L149-C153 VanDerWaalsContact O-CB 3.27Å; L149-C153 WeakPolarHBondContact O-CB 3.17Å; L149-C153 PolarHBondContact O-N 3.43Å; L149-C153 PolarHBondContact O-SG 3.44Å; T150-C153 PolarHBondContact O-N 2.89Å; C153-N155 VanDerWaalsContact C-N 3.26Å; C153-N155 PolarHBondContact O-N 2.83Å; C153-T156 WeakPolarHBondContact CA-OG1 3.31Å; C153-T156 CarbonylContact O-C 2.89Å; C153-T156 PolarHBondContact O-N 3.37Å; C153-T156 VanDerWaalsContact O-N 3.14Å; C153-T156 PolarHBondContact O-OG1 3.45Å
154	N	39.4	Very low	42.5	Very low	104 Å²	104	87.8 Å²	87.8	56%	0.556	47%	0.468	S	S	*	.	H	α-helix	trans	-65.3	-30	175.5	-72.9	-10.5	0	0	0	112.1	T150 N151 T156	T150-N154 VanDerWaalsContact O-CB 3.22Å; T150-N154 WeakPolarHBondContact O-CB 3.26Å; T150-N154 PolarHBondContact O-N 3.25Å; T150-N154 PolarHBondContact O-ND2 3.1Å; T150-N154 PolarHBondContact O-OD1 3.06Å; N151-N154 PolarHBondContact O-N 2.88Å; N154-T156 VanDerWaalsContact C-N 3.3Å
155	N	40.4	Very low	43	Very low	142 Å²	142	87.3 Å²	87.3	76%	0.759	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.2	175.3	-71.7	-14.7	0	0	0	113.1	N151 I152 C153	N151-N155 PolarHBondContact O-N 3.25Å; N151-N155 PolarHBondContact O-ND2 3.01Å; I152-N155 PolarHBondContact O-N 2.89Å; C153-N155 VanDerWaalsContact C-N 3.26Å; C153-N155 PolarHBondContact O-N 2.83Å
156	T	42.6	Very low	43.4	Very low	36 Å²	36	89.2 Å²	89.2	22%	0.221	47%	0.472	C	S	.	.			trans	-107.3	82.2	177.4	54.5	0	0	0	0	110.7	T114 I152 C153 N154 D158 L159	T114-T156 HydrophobicContact CG2-CG2 4.16Å; I152-T156 PolarHBondContact O-N 3.08Å; I152-T156 PolarHBondContact O-OG1 3.26Å; C153-T156 WeakPolarHBondContact CA-OG1 3.31Å; C153-T156 CarbonylContact O-C 2.89Å; C153-T156 PolarHBondContact O-N 3.37Å; C153-T156 VanDerWaalsContact O-N 3.14Å; C153-T156 PolarHBondContact O-OG1 3.45Å; N154-T156 VanDerWaalsContact C-N 3.3Å; T156-D158 PolarHBondContact O-N 2.85Å; T156-L159 PolarHBondContact O-N 3.48Å
157	K	42.5	Very low	43.7	Very low	199 Å²	199	84 Å²	84	87%	0.865	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.4	-179.8	-70.4	-174.7	173	-173.6	0	114.4
158	D	41.4	Very low	44	Very low	122 Å²	122	78.3 Å²	78.3	65%	0.652	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	2.8	-171.1	-54.6	-58.6	0	0	0	115.9	T156 S160	T156-D158 PolarHBondContact O-N 2.85Å; D158-S160 PolarHBondContact O-N 2.98Å
159	L	44.2	Very low	44.2	Very low	40 Å²	40	78 Å²	78	21%	0.209	43%	0.426	C	S	.	.			trans	-82.8	95	175	-83.8	174.5	0	0	0	110.7	T156 F163	T156-L159 PolarHBondContact O-N 3.48Å; L159-F163 HydrophobicContact CD2-CD1 3.71Å; L159-F163 HydrophobicContact CD2-CE1 3.96Å; L159-F163 HydrophobicContact CD2-CG 4.34Å
160	S	48.8	Very low	44.7	Very low	65 Å²	65	80.4 Å²	80.4	46%	0.455	44%	0.435	S	S	.	.			trans	-55.3	141.3	-178.2	74.2	0	0	0	0	112.3	D158 N162 F163 V164	D158-S160 PolarHBondContact O-N 2.98Å; S160-N162 PolarHBondContact O-N 3.42Å; S160-F163 WeakPolarHBondContact O-CB 3.36Å; S160-F163 PolarHBondContact O-N 2.93Å; S160-F163 PolarHBondContact OG-N 3.37Å; S160-V164 PolarHBondContact O-N 2.88Å
161	T	47.1	Very low	44.7	Very low	61 Å²	61	80.4 Å²	80.4	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-52.1	-34.8	175.6	45.2	0	0	0	0	111.7	F163 V164 T165 R197	T161-F163 VanDerWaalsContact C-N 3.34Å; T161-F163 PolarHBondContact O-N 3.14Å; T161-V164 PolarHBondContact O-N 3.47Å; T161-T165 WeakPolarHBondContact O-CB 3.38Å; T161-T165 PolarHBondContact O-N 2.78Å; T161-T165 PolarHBondContact O-OG1 2.97Å; T161-R197 PolarHBondContact OG1-NH2 2.92Å
162	N	48.8	Very low	44.6	Very low	114 Å²	114	78.1 Å²	78.1	61%	0.61	42%	0.42	S	S	*	.	H	α-helix	trans	-63.5	-33.4	176.8	-67.7	-15	0	0	0	113.5	S160 N166	S160-N162 PolarHBondContact O-N 3.42Å; N162-N166 VanDerWaalsContact O-CB 3.25Å; N162-N166 WeakPolarHBondContact O-CB 3.3Å; N162-N166 PolarHBondContact O-N 3.47Å; N162-N166 PolarHBondContact O-ND2 3.31Å
163	F	46.7	Very low	44.7	Very low	66 Å²	66	79.2 Å²	79.2	29%	0.289	43%	0.434	S	S	.	.	H	α-helix	trans	-68.1	-47.1	174.5	179.2	-95.5	0	0	0	111	L159 S160 T161 T165 N166 L167	L159-F163 HydrophobicContact CD2-CD1 3.71Å; L159-F163 HydrophobicContact CD2-CE1 3.96Å; L159-F163 HydrophobicContact CD2-CG 4.34Å; S160-F163 WeakPolarHBondContact O-CB 3.36Å; S160-F163 PolarHBondContact O-N 2.93Å; S160-F163 PolarHBondContact OG-N 3.37Å; T161-F163 VanDerWaalsContact C-N 3.34Å; T161-F163 PolarHBondContact O-N 3.14Å; F163-T165 PolarHBondContact O-N 3.2Å; F163-N166 PolarHBondContact O-N 3.39Å; F163-L167 HydrophobicContact CE1-CD2 4.35Å; F163-L167 VanDerWaalsContact O-CB 3.31Å; F163-L167 WeakPolarHBondContact O-CB 3.42Å; F163-L167 PolarHBondContact O-N 2.97Å
164	V	49.7	Very low	44.7	Very low	47 Å²	47	85.7 Å²	85.7	29%	0.285	45%	0.45	S	S	.	.	H	α-helix	trans	-61.1	-45.1	177.2	-178.7	0	0	0	0	110.6	S160 T161 L167 C168 F189	S160-V164 PolarHBondContact O-N 2.88Å; T161-V164 PolarHBondContact O-N 3.47Å; V164-L167 PolarHBondContact O-N 3.4Å; V164-C168 WeakPolarHBondContact O-CB 3.25Å; V164-C168 PolarHBondContact O-N 2.72Å; V164-C168 PolarHBondContact O-SG 3.29Å; V164-C168 VanDerWaalsContact O-SG 3.38Å; V164-F189 HydrophobicContact CG1-CZ 4.44Å
165	T	48.8	Very low	44.7	Very low	41 Å²	41	83.1 Å²	83.1	25%	0.252	44%	0.441	S	S	.	.	H	α-helix	trans	-62.5	-45.6	176.3	-55.3	0	0	0	0	111.8	T161 F163 L167 C168 T169	T161-T165 WeakPolarHBondContact O-CB 3.38Å; T161-T165 PolarHBondContact O-N 2.78Å; T161-T165 PolarHBondContact O-OG1 2.97Å; F163-T165 PolarHBondContact O-N 3.2Å; T165-L167 PolarHBondContact O-N 3.16Å; T165-C168 PolarHBondContact O-N 3.44Å; T165-T169 HydrophobicContact CG2-CG2 4.5Å; T165-T169 WeakPolarHBondContact O-CG2 3.41Å; T165-T169 PolarHBondContact O-N 2.87Å; T165-T169 PolarHBondContact O-OG1 2.81Å
166	N	50.9	Low	44.5	Very low	94 Å²	94	83.9 Å²	83.9	50%	0.503	44%	0.443	S	S	.	.	H	α-helix	trans	-66.9	-33.7	177.7	-84.7	-29.9	0	0	0	113.4	N162 F163 T169 K170	N162-N166 VanDerWaalsContact O-CB 3.25Å; N162-N166 WeakPolarHBondContact O-CB 3.3Å; N162-N166 PolarHBondContact O-N 3.47Å; N162-N166 PolarHBondContact O-ND2 3.31Å; F163-N166 PolarHBondContact O-N 3.39Å; N166-T169 WeakPolarHBondContact CA-OG1 3.37Å; N166-T169 PolarHBondContact O-OG1 2.99Å; N166-T169 VanDerWaalsContact O-OG1 3.14Å; N166-K170 VanDerWaalsContact O-CB 3.3Å; N166-K170 WeakPolarHBondContact O-CB 3.44Å; N166-K170 WeakPolarHBondContact O-CG 3.1Å; N166-K170 PolarHBondContact O-N 2.98Å
167	L	47.5	Very low	44.5	Very low	60 Å²	60	91.3 Å²	91.3	31%	0.314	47%	0.472	S	S	.	.	H	α-helix	trans	-66.3	-48.4	173.6	-167.3	69.3	0	0	0	109.7	F163 V164 T165 T169 K170 L171	F163-L167 HydrophobicContact CE1-CD2 4.35Å; F163-L167 VanDerWaalsContact O-CB 3.31Å; F163-L167 WeakPolarHBondContact O-CB 3.42Å; F163-L167 PolarHBondContact O-N 2.97Å; V164-L167 PolarHBondContact O-N 3.4Å; T165-L167 PolarHBondContact O-N 3.16Å; L167-T169 PolarHBondContact O-N 2.94Å; L167-K170 PolarHBondContact O-N 2.83Å; L167-L171 HydrophobicContact CG-CD1 3.95Å; L167-L171 VanDerWaalsContact O-CB 3.26Å; L167-L171 WeakPolarHBondContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 3.27Å
168	C	47.8	Very low	44.6	Very low	55 Å²	55	85.1 Å²	85.1	37%	0.372	45%	0.446	S	S	.	.	H	α-helix	trans	-62.3	-36.3	177.3	-75.8	0	0	0	0	113.8	V164 T165 N172	V164-C168 WeakPolarHBondContact O-CB 3.25Å; V164-C168 PolarHBondContact O-N 2.72Å; V164-C168 PolarHBondContact O-SG 3.29Å; V164-C168 VanDerWaalsContact O-SG 3.38Å; T165-C168 PolarHBondContact O-N 3.44Å; C168-N172 WeakPolarHBondContact O-CB 3.44Å; C168-N172 PolarHBondContact O-N 2.76Å; C168-N172 VanDerWaalsContact O-N 3.13Å; C168-N172 PolarHBondContact O-ND2 2.72Å
169	T	47.1	Very low	44.4	Very low	58 Å²	58	87.1 Å²	87.1	36%	0.356	45%	0.449	S	S	.	.	H	α-helix	trans	-75.2	-44.8	176.3	56.6	0	0	0	0	112.1	T165 N166 L167 L171 N172 S173	T165-T169 HydrophobicContact CG2-CG2 4.5Å; T165-T169 WeakPolarHBondContact O-CG2 3.41Å; T165-T169 PolarHBondContact O-N 2.87Å; T165-T169 PolarHBondContact O-OG1 2.81Å; N166-T169 WeakPolarHBondContact CA-OG1 3.37Å; N166-T169 PolarHBondContact O-OG1 2.99Å; N166-T169 VanDerWaalsContact O-OG1 3.14Å; L167-T169 PolarHBondContact O-N 2.94Å; T169-L171 VanDerWaalsContact C-N 3.34Å; T169-L171 PolarHBondContact O-N 3.42Å; T169-N172 PolarHBondContact O-N 2.95Å; T169-S173 WeakPolarHBondContact O-CB 3.34Å; T169-S173 PolarHBondContact O-N 2.84Å
170	K	47.9	Very low	44.3	Very low	101 Å²	101	91.1 Å²	91.1	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-58.4	-44.8	173.7	-77.4	-179.5	178.5	172.1	0	110.7	E102 N166 L167 S173	E102-K170 IonicContact OE1-NZ 3.09Å; E102-K170 PolarHBondContact OE1-NZ 3.25Å; E102-K170 IonicContact OE2-NZ 3.7Å; E102-K170 PolarHBondContact OE2-NZ 2.89Å; N166-K170 VanDerWaalsContact O-CB 3.3Å; N166-K170 WeakPolarHBondContact O-CB 3.44Å; N166-K170 WeakPolarHBondContact O-CG 3.1Å; N166-K170 PolarHBondContact O-N 2.98Å; L167-K170 PolarHBondContact O-N 2.83Å; K170-S173 PolarHBondContact O-OG 3.32Å
171	L	39.9	Very low	44.1	Very low	57 Å²	57	94.2 Å²	94.2	30%	0.298	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-41.2	178.6	-73.2	170.9	0	0	0	113.7	W95 L141 L167 T169	W95-L171 HydrophobicContact CH2-CD2 3.88Å; W95-L171 HydrophobicContact CZ2-CD2 4.05Å; W95-L171 HydrophobicContact CZ3-CD2 4.32Å; L141-L171 HydrophobicContact CD1-CD1 4.14Å; L167-L171 HydrophobicContact CG-CD1 3.95Å; L167-L171 VanDerWaalsContact O-CB 3.26Å; L167-L171 WeakPolarHBondContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 3.27Å; T169-L171 VanDerWaalsContact C-N 3.34Å; T169-L171 PolarHBondContact O-N 3.42Å
172	N	39.7	Very low	43.8	Very low	59 Å²	59	92.7 Å²	92.7	32%	0.316	47%	0.467	S	S	.	.	H	α-helix	trans	-76.6	-29.5	179.5	-85.1	-82	0	0	0	113.9	C168 T169 R174 S175 T182	C168-N172 WeakPolarHBondContact O-CB 3.44Å; C168-N172 PolarHBondContact O-N 2.76Å; C168-N172 VanDerWaalsContact O-N 3.13Å; C168-N172 PolarHBondContact O-ND2 2.72Å; T169-N172 PolarHBondContact O-N 2.95Å; N172-R174 PolarHBondContact O-N 3.23Å; N172-S175 PolarHBondContact O-N 3.17Å; N172-T182 HydrophobicContact CB-CG2 3.58Å; N172-T182 WeakPolarHBondContact OD1-CG2 3.44Å; N172-T182 PolarHBondContact OD1-OG1 3.17Å
173	S	39.6	Very low	43.7	Very low	88 Å²	88	94.4 Å²	94.4	62%	0.615	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21	-170.9	67.2	0	0	0	0	115.3	T169 K170	T169-S173 WeakPolarHBondContact O-CB 3.34Å; T169-S173 PolarHBondContact O-N 2.84Å; K170-S173 PolarHBondContact O-OG 3.32Å
174	R	38.9	Very low	43.7	Very low	190 Å²	190	96.3 Å²	96.3	72%	0.717	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-10.9	179.3	-69.9	-177.6	173.1	-177.2	-3.2	114.6	N172 I176	N172-R174 PolarHBondContact O-N 3.23Å; R174-I176 PolarHBondContact O-N 3.48Å
175	S	39.1	Very low	43.6	Very low	51 Å²	51	98.7 Å²	98.7	36%	0.357	50%	0.497	S	S	.	.			trans	-97.3	85.9	176.8	-166.5	0	0	0	0	111.5	N172 K177 H178	N172-S175 PolarHBondContact O-N 3.17Å; S175-K177 PolarHBondContact O-N 2.83Å; S175-H178 PolarHBondContact O-N 3.45Å
176	I	36.1	Very low	43.5	Very low	157 Å²	157	99.7 Å²	99.7	81%	0.805	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.8	-177.3	-66.3	173.1	0	0	0	112.9	R174	R174-I176 PolarHBondContact O-N 3.48Å
177	K	41.4	Very low	43.7	Very low	193 Å²	193	103.1 Å²	103.1	84%	0.839	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.4	179.7	-69	-177.5	178.7	175.9	0	115.7	S175	S175-K177 PolarHBondContact O-N 2.83Å
178	H	45	Very low	44.2	Very low	68 Å²	68	107.5 Å²	107.5	32%	0.315	52%	0.523	S	S	.	.			trans	-110.3	2.9	-172.9	-80.3	-51.5	0	0	0	116.1	S175 N180 K181 T182	S175-H178 PolarHBondContact O-N 3.45Å; H178-N180 PolarHBondContact O-N 3.16Å; H178-K181 PolarHBondContact O-N 2.97Å; H178-T182 PolarHBondContact O-N 2.72Å; H178-T182 PolarHBondContact O-OG1 3.1Å
179	K	37.3	Very low	43.9	Very low	164 Å²	164	108.7 Å²	108.7	71%	0.713	52%	0.523	S	S	*	.	H	α-helix	trans	-41	-39.3	-176.7	-113.1	-179.5	177.3	-178.6	0	115.9	K183	K179-K183 PolarHBondContact O-N 3.46Å
180	N	42.1	Very low	44.1	Very low	124 Å²	124	109.3 Å²	109.3	66%	0.663	52%	0.524	S	S	*	.	H	α-helix	trans	-79.8	-52.1	179.8	-64.4	-1.3	0	0	0	112.1	H178 T182 K183 D184	H178-N180 PolarHBondContact O-N 3.16Å; N180-T182 PolarHBondContact O-N 3.01Å; N180-T182 VanDerWaalsContact O-N 3.17Å; N180-K183 WeakPolarHBondContact O-CA 3.48Å; N180-K183 WeakPolarHBondContact O-CB 3.44Å; N180-K183 PolarHBondContact O-N 3.25Å; N180-D184 PolarHBondContact O-N 3.09Å; N180-D184 VanDerWaalsContact O-N 3.12Å
181	K	45	Very low	44.8	Very low	130 Å²	130	109.7 Å²	109.7	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-58.2	-30.2	173.3	-81.4	172.8	174.4	165.4	0	112.5	H178 V185	H178-K181 PolarHBondContact O-N 2.97Å; K181-V185 WeakPolarHBondContact O-CG2 3.42Å; K181-V185 PolarHBondContact O-N 3.19Å
182	T	40.3	Very low	44.9	Very low	29 Å²	29	112.2 Å²	112.2	18%	0.178	54%	0.537	C	S	.	.	H	α-helix	trans	-66.1	-42.9	170.8	-57.2	0	0	0	0	112.2	N172 H178 N180 V185 L186	N172-T182 HydrophobicContact CB-CG2 3.58Å; N172-T182 WeakPolarHBondContact OD1-CG2 3.44Å; N172-T182 PolarHBondContact OD1-OG1 3.17Å; H178-T182 PolarHBondContact O-N 2.72Å; H178-T182 PolarHBondContact O-OG1 3.1Å; N180-T182 PolarHBondContact O-N 3.01Å; N180-T182 VanDerWaalsContact O-N 3.17Å; T182-V185 PolarHBondContact O-N 3.31Å; T182-L186 VanDerWaalsContact O-CB 3.29Å; T182-L186 WeakPolarHBondContact O-CB 3.48Å; T182-L186 PolarHBondContact O-N 3.25Å
183	K	46.4	Very low	45.3	Very low	151 Å²	151	111.1 Å²	111.1	66%	0.657	53%	0.532	S	S	*	.	H	α-helix	trans	-60.1	-45.1	175.8	-86.4	-176	169.7	-172.1	0	111.2	K179 N180 V185 L186 Y187	K179-K183 PolarHBondContact O-N 3.46Å; N180-K183 WeakPolarHBondContact O-CA 3.48Å; N180-K183 WeakPolarHBondContact O-CB 3.44Å; N180-K183 PolarHBondContact O-N 3.25Å; K183-V185 PolarHBondContact O-N 3.09Å; K183-L186 PolarHBondContact O-N 3.42Å; K183-Y187 VanDerWaalsContact O-CB 3.29Å; K183-Y187 WeakPolarHBondContact O-CB 3.49Å; K183-Y187 PolarHBondContact O-N 3.08Å
184	D	47.9	Very low	46	Very low	105 Å²	105	110 Å²	110	56%	0.561	52%	0.524	S	S	*	.	H	α-helix	trans	-64.3	-42.6	-179	-57.9	-27.9	0	0	0	111.9	N180 Y187 K188	N180-D184 PolarHBondContact O-N 3.09Å; N180-D184 VanDerWaalsContact O-N 3.12Å; D184-Y187 PolarHBondContact O-N 2.95Å; D184-K188 VanDerWaalsContact O-CB 3.23Å; D184-K188 WeakPolarHBondContact O-CB 3.45Å; D184-K188 PolarHBondContact O-N 3.38Å
185	V	46.2	Very low	46.6	Very low	98 Å²	98	104.5 Å²	104.5	59%	0.594	51%	0.509	S	S	*	.	H	α-helix	trans	-65.5	-41.7	175.6	172.3	0	0	0	0	111	K181 T182 K183 K188 F189	K181-V185 WeakPolarHBondContact O-CG2 3.42Å; K181-V185 PolarHBondContact O-N 3.19Å; T182-V185 PolarHBondContact O-N 3.31Å; K183-V185 PolarHBondContact O-N 3.09Å; V185-K188 PolarHBondContact O-N 3.06Å; V185-F189 VanDerWaalsContact O-CB 3.22Å; V185-F189 WeakPolarHBondContact O-CB 3.38Å; V185-F189 PolarHBondContact O-N 3.22Å
186	L	47.7	Very low	47.2	Very low	62 Å²	62	108.9 Å²	108.9	33%	0.325	52%	0.522	S	S	.	.	H	α-helix	trans	-67.4	-40.1	178.1	-162	76.6	0	0	0	111.6	T182 K183 N190	T182-L186 VanDerWaalsContact O-CB 3.29Å; T182-L186 WeakPolarHBondContact O-CB 3.48Å; T182-L186 PolarHBondContact O-N 3.25Å; K183-L186 PolarHBondContact O-N 3.42Å; L186-N190 VanDerWaalsContact O-CB 3.23Å; L186-N190 WeakPolarHBondContact O-CB 3.41Å; L186-N190 PolarHBondContact O-N 3.27Å; L186-N190 PolarHBondContact O-ND2 3.13Å
187	Y	54.6	Low	47.9	Very low	166 Å²	166	108 Å²	108	65%	0.651	51%	0.509	S	S	*	.	H	α-helix	trans	-64.7	-46.3	174.8	179.7	-97.6	0	0	0	111.3	K183 D184 N190 K191	K183-Y187 VanDerWaalsContact O-CB 3.29Å; K183-Y187 WeakPolarHBondContact O-CB 3.49Å; K183-Y187 PolarHBondContact O-N 3.08Å; D184-Y187 PolarHBondContact O-N 2.95Å; Y187-N190 PolarHBondContact O-N 2.9Å; Y187-K191 VanDerWaalsContact O-CB 3.28Å; Y187-K191 WeakPolarHBondContact O-CB 3.25Å; Y187-K191 PolarHBondContact O-N 3.38Å
188	K	57.5	Low	48.5	Very low	151 Å²	151	102.2 Å²	102.2	66%	0.657	49%	0.489	S	S	*	.	H	α-helix	trans	-67.9	-35.4	179.1	-162.7	168.4	-170.7	171.4	0	112.5	D184 V185 M192	D184-K188 VanDerWaalsContact O-CB 3.23Å; D184-K188 WeakPolarHBondContact O-CB 3.45Å; D184-K188 PolarHBondContact O-N 3.38Å; V185-K188 PolarHBondContact O-N 3.06Å; K188-M192 WeakPolarHBondContact O-CB 3.27Å; K188-M192 PolarHBondContact O-N 2.96Å
189	F	42.9	Very low	49	Very low	81 Å²	81	104.9 Å²	104.9	36%	0.355	50%	0.5	S	S	.	.	H	α-helix	trans	-68.3	-49.4	172.4	-176.2	-94	0	0	0	111.6	V164 V185 K191 M192 T193	V164-F189 HydrophobicContact CG1-CZ 4.44Å; V185-F189 VanDerWaalsContact O-CB 3.22Å; V185-F189 WeakPolarHBondContact O-CB 3.38Å; V185-F189 PolarHBondContact O-N 3.22Å; F189-K191 VanDerWaalsContact C-N 3.3Å; F189-K191 PolarHBondContact O-N 3.03Å; F189-M192 WeakPolarHBondContact O-CB 3.37Å; F189-M192 PolarHBondContact O-N 3.05Å; F189-M192 VanDerWaalsContact O-N 3.15Å; F189-T193 HydrophobicContact CD1-CG2 4.18Å; F189-T193 HydrophobicContact CE1-CG2 3.75Å; F189-T193 HydrophobicContact CE2-CG2 4.48Å; F189-T193 HydrophobicContact CZ-CG2 3.91Å; F189-T193 PolarHBondContact O-N 3.21Å; F189-T193 PolarHBondContact O-OG1 3.04Å
190	N	50.6	Low	49.8	Very low	70 Å²	70	102 Å²	102	37%	0.374	49%	0.489	S	S	.	.	H	α-helix	trans	-58.2	-43.7	176.6	-75.5	-9.8	0	0	0	111	L186 Y187 T193 S194	L186-N190 VanDerWaalsContact O-CB 3.23Å; L186-N190 WeakPolarHBondContact O-CB 3.41Å; L186-N190 PolarHBondContact O-N 3.27Å; L186-N190 PolarHBondContact O-ND2 3.13Å; Y187-N190 PolarHBondContact O-N 2.9Å; N190-T193 WeakPolarHBondContact CA-OG1 3.28Å; N190-T193 PolarHBondContact O-N 3.48Å; N190-T193 PolarHBondContact O-OG1 3.45Å; N190-S194 WeakPolarHBondContact O-CB 3.42Å; N190-S194 PolarHBondContact O-N 3.18Å; N190-S194 PolarHBondContact O-OG 3.28Å; N190-S194 VanDerWaalsContact O-OG 3.13Å
191	K	61.8	Low	50.3	Low	110 Å²	110	101.3 Å²	101.3	48%	0.478	48%	0.48	S	S	.	.	H	α-helix	trans	-58.5	-51.9	173.1	-175.4	167.4	-176.7	173.2	0	111.3	Y187 F189 T193 S194 D195	Y187-K191 VanDerWaalsContact O-CB 3.28Å; Y187-K191 WeakPolarHBondContact O-CB 3.25Å; Y187-K191 PolarHBondContact O-N 3.38Å; F189-K191 VanDerWaalsContact C-N 3.3Å; F189-K191 PolarHBondContact O-N 3.03Å; K191-T193 VanDerWaalsContact C-N 3.28Å; K191-T193 PolarHBondContact O-N 3.39Å; K191-S194 PolarHBondContact O-N 3.49Å; K191-S194 VanDerWaalsContact O-N 3.13Å; K191-D195 WeakPolarHBondContact CG-OD2 3.46Å; K191-D195 WeakPolarHBondContact O-CB 3.31Å; K191-D195 PolarHBondContact O-N 2.87Å
192	M	42.6	Very low	50.8	Low	109 Å²	109	99.9 Å²	99.9	54%	0.537	48%	0.475	S	S	.	.	H	α-helix	trans	-55.5	-36.6	174.1	-94	168.7	40.7	0	0	114.3	K188 F189 K196	K188-M192 WeakPolarHBondContact O-CB 3.27Å; K188-M192 PolarHBondContact O-N 2.96Å; F189-M192 WeakPolarHBondContact O-CB 3.37Å; F189-M192 PolarHBondContact O-N 3.05Å; F189-M192 VanDerWaalsContact O-N 3.15Å; M192-K196 WeakPolarHBondContact O-CB 3.28Å; M192-K196 WeakPolarHBondContact O-CG 3.47Å; M192-K196 PolarHBondContact O-N 3.46Å; M192-K196 VanDerWaalsContact O-N 3.13Å
193	T	47.7	Very low	51.5	Low	36 Å²	36	103.6 Å²	103.6	22%	0.221	49%	0.491	C	S	.	.	H	α-helix	trans	-79.4	-30.5	177.6	52.9	0	0	0	0	113.2	F189 N190 K191 R197	F189-T193 HydrophobicContact CD1-CG2 4.18Å; F189-T193 HydrophobicContact CE1-CG2 3.75Å; F189-T193 HydrophobicContact CE2-CG2 4.48Å; F189-T193 HydrophobicContact CZ-CG2 3.91Å; F189-T193 PolarHBondContact O-N 3.21Å; F189-T193 PolarHBondContact O-OG1 3.04Å; N190-T193 WeakPolarHBondContact CA-OG1 3.28Å; N190-T193 PolarHBondContact O-N 3.48Å; N190-T193 PolarHBondContact O-OG1 3.45Å; K191-T193 VanDerWaalsContact C-N 3.28Å; K191-T193 PolarHBondContact O-N 3.39Å; T193-R197 WeakPolarHBondContact O-CB 3.45Å; T193-R197 WeakPolarHBondContact O-CG 3.36Å; T193-R197 PolarHBondContact O-N 3.45Å
194	S	54.1	Low	51.8	Low	64 Å²	64	101.5 Å²	101.5	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-71.6	-49.8	172.3	-67.4	0	0	0	0	110.2	N190 K191 K196 R197 V198	N190-S194 WeakPolarHBondContact O-CB 3.42Å; N190-S194 PolarHBondContact O-N 3.18Å; N190-S194 PolarHBondContact O-OG 3.28Å; N190-S194 VanDerWaalsContact O-OG 3.13Å; K191-S194 PolarHBondContact O-N 3.49Å; K191-S194 VanDerWaalsContact O-N 3.13Å; S194-K196 PolarHBondContact O-N 3.38Å; S194-R197 CarbonylContact O-C 3.55Å; S194-R197 PolarHBondContact O-N 3.33Å; S194-V198 WeakPolarHBondContact O-CB 3.46Å; S194-V198 WeakPolarHBondContact O-CG2 3.44Å; S194-V198 PolarHBondContact O-N 3.14Å
195	D	51.7	Low	52.1	Low	76 Å²	76	101.7 Å²	101.7	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-57.8	-35.7	176.5	-61.2	-6.2	0	0	0	110.9	K191 K199	K191-D195 WeakPolarHBondContact CG-OD2 3.46Å; K191-D195 WeakPolarHBondContact O-CB 3.31Å; K191-D195 PolarHBondContact O-N 2.87Å; D195-K199 VanDerWaalsContact O-CB 3.3Å; D195-K199 WeakPolarHBondContact O-CB 3.49Å; D195-K199 VanDerWaalsContact O-CG 3.29Å; D195-K199 WeakPolarHBondContact O-CG 3.31Å; D195-K199 PolarHBondContact O-N 3.49Å
196	K	51.8	Low	52.4	Low	143 Å²	143	104.3 Å²	104.3	62%	0.622	49%	0.486	S	S	*	.	H	α-helix	trans	-73.2	-36	171.9	-82.1	-170	171.5	-159.1	0	114.4	M192 S194 Q200	M192-K196 WeakPolarHBondContact O-CB 3.28Å; M192-K196 WeakPolarHBondContact O-CG 3.47Å; M192-K196 PolarHBondContact O-N 3.46Å; M192-K196 VanDerWaalsContact O-N 3.13Å; S194-K196 PolarHBondContact O-N 3.38Å; K196-Q200 VanDerWaalsContact O-CB 3.29Å; K196-Q200 WeakPolarHBondContact O-CB 3.46Å; K196-Q200 VanDerWaalsContact O-CG 3.26Å; K196-Q200 WeakPolarHBondContact O-CG 3.42Å; K196-Q200 PolarHBondContact O-N 2.93Å
197	R	50.7	Low	52.6	Low	138 Å²	138	108.1 Å²	108.1	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-74.5	-32.1	175.7	-81.3	177.4	175.2	166.2	0.5	112.7	T161 T193 S194 K201	T161-R197 PolarHBondContact OG1-NH2 2.92Å; T193-R197 WeakPolarHBondContact O-CB 3.45Å; T193-R197 WeakPolarHBondContact O-CG 3.36Å; T193-R197 PolarHBondContact O-N 3.45Å; S194-R197 CarbonylContact O-C 3.55Å; S194-R197 PolarHBondContact O-N 3.33Å; R197-K201 VanDerWaalsContact O-CB 3.26Å; R197-K201 WeakPolarHBondContact O-CB 3.4Å; R197-K201 WeakPolarHBondContact O-CG 3.38Å; R197-K201 PolarHBondContact O-N 2.9Å
198	V	55.2	Low	52.3	Low	72 Å²	72	106.9 Å²	106.9	44%	0.436	50%	0.503	S	S	.	.	H	α-helix	trans	-69	-49.5	172.3	170.6	0	0	0	0	108.1	S194 Q200 K201 E202	S194-V198 WeakPolarHBondContact O-CB 3.46Å; S194-V198 WeakPolarHBondContact O-CG2 3.44Å; S194-V198 PolarHBondContact O-N 3.14Å; V198-Q200 PolarHBondContact O-N 3.31Å; V198-K201 CarbonylContact O-C 3.55Å; V198-K201 PolarHBondContact O-N 3.41Å; V198-K201 VanDerWaalsContact O-N 3.09Å; V198-E202 VanDerWaalsContact CG1-CD 3.47Å; V198-E202 HydrophobicContact CG1-CG 4.22Å; V198-E202 WeakPolarHBondContact CG1-OE1 3.38Å; V198-E202 WeakPolarHBondContact O-CB 3.43Å; V198-E202 VanDerWaalsContact O-CG 3.29Å; V198-E202 WeakPolarHBondContact O-CG 3.46Å; V198-E202 PolarHBondContact O-N 3.42Å
199	K	56	Low	51.7	Low	123 Å²	123	101.3 Å²	101.3	54%	0.535	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-40.1	173.8	-76.3	-176.1	170.8	-123.8	0	114.7	D195 K201 E202 E203	D195-K199 VanDerWaalsContact O-CB 3.3Å; D195-K199 WeakPolarHBondContact O-CB 3.49Å; D195-K199 VanDerWaalsContact O-CG 3.29Å; D195-K199 WeakPolarHBondContact O-CG 3.31Å; D195-K199 PolarHBondContact O-N 3.49Å; K199-K201 VanDerWaalsContact C-N 3.3Å; K199-K201 PolarHBondContact O-N 3Å; K199-E202 PolarHBondContact O-N 2.94Å; K199-E203 WeakPolarHBondContact O-CB 3.41Å; K199-E203 WeakPolarHBondContact O-CG 3.44Å; K199-E203 PolarHBondContact O-N 2.89Å
200	Q	52.7	Low	51.7	Low	103 Å²	103	99.2 Å²	99.2	48%	0.481	49%	0.489	S	S	.	.	H	α-helix	trans	-68	-31.3	174.1	-75.7	-174.5	-67.1	0	0	112	K196 V198 E204	K196-Q200 VanDerWaalsContact O-CB 3.29Å; K196-Q200 WeakPolarHBondContact O-CB 3.46Å; K196-Q200 VanDerWaalsContact O-CG 3.26Å; K196-Q200 WeakPolarHBondContact O-CG 3.42Å; K196-Q200 PolarHBondContact O-N 2.93Å; V198-Q200 PolarHBondContact O-N 3.31Å; Q200-E204 WeakPolarHBondContact O-CA 3.22Å; Q200-E204 WeakPolarHBondContact O-CB 3.29Å; Q200-E204 VanDerWaalsContact O-CD 3.3Å; Q200-E204 WeakPolarHBondContact O-CG 3.35Å; Q200-E204 PolarHBondContact O-N 3.39Å
201	K	54	Low	51.5	Low	111 Å²	111	102.7 Å²	102.7	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-75.9	-33.6	171.8	-77.2	179	123.1	-72.5	0	113	R197 V198 K199 E205	R197-K201 VanDerWaalsContact O-CB 3.26Å; R197-K201 WeakPolarHBondContact O-CB 3.4Å; R197-K201 WeakPolarHBondContact O-CG 3.38Å; R197-K201 PolarHBondContact O-N 2.9Å; V198-K201 CarbonylContact O-C 3.55Å; V198-K201 PolarHBondContact O-N 3.41Å; V198-K201 VanDerWaalsContact O-N 3.09Å; K199-K201 VanDerWaalsContact C-N 3.3Å; K199-K201 PolarHBondContact O-N 3Å; K201-E205 IonicContact NZ-OE1 2.76Å; K201-E205 PolarHBondContact NZ-OE1 3.41Å; K201-E205 WeakPolarHBondContact O-CA 3.45Å; K201-E205 WeakPolarHBondContact O-CB 3.45Å; K201-E205 WeakPolarHBondContact O-CG 3.36Å; K201-E205 PolarHBondContact O-N 3.19Å
202	E	55.2	Low	50.7	Low	99 Å²	99	102.9 Å²	102.9	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-69.6	-42.4	173.2	-71.5	164.7	167.3	0	0	109.5	V198 K199 E206	V198-E202 VanDerWaalsContact CG1-CD 3.47Å; V198-E202 HydrophobicContact CG1-CG 4.22Å; V198-E202 WeakPolarHBondContact CG1-OE1 3.38Å; V198-E202 WeakPolarHBondContact O-CB 3.43Å; V198-E202 VanDerWaalsContact O-CG 3.29Å; V198-E202 WeakPolarHBondContact O-CG 3.46Å; V198-E202 PolarHBondContact O-N 3.42Å; K199-E202 PolarHBondContact O-N 2.94Å; E202-E206 WeakPolarHBondContact O-CA 3.42Å; E202-E206 WeakPolarHBondContact O-CB 3.22Å; E202-E206 WeakPolarHBondContact O-CG 3.01Å; E202-E206 PolarHBondContact O-N 3.16Å
203	E	54.3	Low	50.8	Low	108 Å²	108	103.7 Å²	103.7	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-67.9	-41.3	173.8	-69.6	160.4	-169	0	0	111.4	K199 E207	K199-E203 WeakPolarHBondContact O-CB 3.41Å; K199-E203 WeakPolarHBondContact O-CG 3.44Å; K199-E203 PolarHBondContact O-N 2.89Å; E203-E207 VanDerWaalsContact O-CB 3.24Å; E203-E207 WeakPolarHBondContact O-CB 3.45Å; E203-E207 WeakPolarHBondContact O-CG 3.5Å; E203-E207 PolarHBondContact O-N 3.06Å
204	E	52.8	Low	50.9	Low	107 Å²	107	104.6 Å²	104.6	50%	0.5	52%	0.52	S	S	.	.	H	α-helix	trans	-72.6	-34.8	175	-72.6	162.2	-171.3	0	0	112.3	Q200 E208	Q200-E204 WeakPolarHBondContact O-CA 3.22Å; Q200-E204 WeakPolarHBondContact O-CB 3.29Å; Q200-E204 VanDerWaalsContact O-CD 3.3Å; Q200-E204 WeakPolarHBondContact O-CG 3.35Å; Q200-E204 PolarHBondContact O-N 3.39Å; E204-E208 VanDerWaalsContact O-CB 3.24Å; E204-E208 WeakPolarHBondContact O-CB 3.33Å; E204-E208 WeakPolarHBondContact O-CG 3.35Å; E204-E208 PolarHBondContact O-N 3.12Å
205	E	53.4	Low	50.6	Low	109 Å²	109	108.1 Å²	108.1	51%	0.509	53%	0.529	S	S	.	.	H	α-helix	trans	-81.8	-23.5	176.7	-66	164.1	-156.7	0	0	111.8	K201 G209	K201-E205 IonicContact NZ-OE1 2.76Å; K201-E205 PolarHBondContact NZ-OE1 3.41Å; K201-E205 WeakPolarHBondContact O-CA 3.45Å; K201-E205 WeakPolarHBondContact O-CB 3.45Å; K201-E205 WeakPolarHBondContact O-CG 3.36Å; K201-E205 PolarHBondContact O-N 3.19Å; E205-G209 WeakPolarHBondContact O-CA 3.5Å; E205-G209 PolarHBondContact O-N 3.46Å
206	E	52.8	Low	50.7	Low	152 Å²	152	109.5 Å²	109.5	71%	0.71	53%	0.531	S	S	*	.	H	α-helix	trans	-80.7	-32.4	167.1	-74.1	179.6	177.3	0	0	112.2	E202 G210	E202-E206 WeakPolarHBondContact O-CA 3.42Å; E202-E206 WeakPolarHBondContact O-CB 3.22Å; E202-E206 WeakPolarHBondContact O-CG 3.01Å; E202-E206 PolarHBondContact O-N 3.16Å; E206-G210 WeakPolarHBondContact O-CA 3.32Å; E206-G210 PolarHBondContact O-N 2.83Å
207	E	52.3	Low	50.7	Low	143 Å²	143	108.1 Å²	108.1	67%	0.668	53%	0.527	S	S	*	.	H	α-helix	trans	-74.7	-45.7	170.7	-75.8	-174.1	160.6	0	0	111.6	E203 G210 E211	E203-E207 VanDerWaalsContact O-CB 3.24Å; E203-E207 WeakPolarHBondContact O-CB 3.45Å; E203-E207 WeakPolarHBondContact O-CG 3.5Å; E203-E207 PolarHBondContact O-N 3.06Å; E207-G210 PolarHBondContact O-N 3.03Å; E207-E211 WeakPolarHBondContact O-CB 3.36Å; E207-E211 WeakPolarHBondContact O-CG 3.22Å; E207-E211 PolarHBondContact O-N 2.68Å
208	E	49.4	Very low	50.4	Low	140 Å²	140	104.9 Å²	104.9	65%	0.654	53%	0.525	S	S	*	.	H	α-helix	trans	-67.5	-35.4	172.9	-74.2	-172	157	0	0	111.9	E204 E211 E212	E204-E208 VanDerWaalsContact O-CB 3.24Å; E204-E208 WeakPolarHBondContact O-CB 3.33Å; E204-E208 WeakPolarHBondContact O-CG 3.35Å; E204-E208 PolarHBondContact O-N 3.12Å; E208-E211 PolarHBondContact O-N 3.13Å; E208-E212 WeakPolarHBondContact O-CB 3.23Å; E208-E212 PolarHBondContact O-N 3.43Å
209	G	44.5	Very low	49.9	Very low	33 Å²	33	104.4 Å²	104.4	34%	0.34	53%	0.525	S	S	.	.	H	α-helix	trans	-68.9	-37.5	172.9	0	0	0	0	0	112.7	E205 E213	E205-G209 WeakPolarHBondContact O-CA 3.5Å; E205-G209 PolarHBondContact O-N 3.46Å; G209-E213 WeakPolarHBondContact O-CB 3.37Å; G209-E213 PolarHBondContact O-N 3.46Å
210	G	43	Very low	49.5	Very low	37 Å²	37	104.3 Å²	104.3	38%	0.381	53%	0.526	S	S	.	.	H	α-helix	trans	-69.9	-34.8	173.3	0	0	0	0	0	113	E206 E207 A214	E206-G210 WeakPolarHBondContact O-CA 3.32Å; E206-G210 PolarHBondContact O-N 2.83Å; E207-G210 PolarHBondContact O-N 3.03Å; G210-A214 WeakPolarHBondContact O-CB 3.23Å; G210-A214 PolarHBondContact O-N 3.42Å
211	E	45.9	Very low	49.3	Very low	144 Å²	144	103.2 Å²	103.2	67%	0.673	53%	0.527	S	S	*	.	H	α-helix	trans	-73.9	-37.9	172	-74	-168.6	160.5	0	0	111.7	E207 E208 A214 E215	E207-E211 WeakPolarHBondContact O-CB 3.36Å; E207-E211 WeakPolarHBondContact O-CG 3.22Å; E207-E211 PolarHBondContact O-N 2.68Å; E208-E211 PolarHBondContact O-N 3.13Å; E211-A214 PolarHBondContact O-N 3.02Å; E211-E215 WeakPolarHBondContact O-CB 3.47Å; E211-E215 PolarHBondContact O-N 2.96Å
212	E	45.5	Very low	49.1	Very low	114 Å²	114	100.4 Å²	100.4	53%	0.533	52%	0.521	S	S	.	.	H	α-helix	trans	-67.2	-36.5	171.2	-100.9	-155.9	172.4	0	0	112.6	E208 K216	E208-E212 WeakPolarHBondContact O-CB 3.23Å; E208-E212 PolarHBondContact O-N 3.43Å; E212-K216 VanDerWaalsContact O-CB 3.23Å; E212-K216 WeakPolarHBondContact O-CB 3.29Å; E212-K216 WeakPolarHBondContact O-CD 3.44Å; E212-K216 WeakPolarHBondContact O-CG 3.44Å; E212-K216 PolarHBondContact O-N 2.85Å; E212-K216 IonicContact OE2-NZ 2.72Å; E212-K216 PolarHBondContact OE2-NZ 3.39Å
213	E	44.7	Very low	48.7	Very low	125 Å²	125	100.8 Å²	100.8	58%	0.584	53%	0.526	S	S	*	.	H	α-helix	trans	-74.7	-34.2	172.9	-79.6	-157.9	142	0	0	112.6	G209 Q217	G209-E213 WeakPolarHBondContact O-CB 3.37Å; G209-E213 PolarHBondContact O-N 3.46Å; E213-Q217 WeakPolarHBondContact O-CB 3.34Å; E213-Q217 WeakPolarHBondContact O-CG 3.41Å; E213-Q217 PolarHBondContact O-N 2.99Å
214	A	48.4	Very low	48.1	Very low	56 Å²	56	100.6 Å²	100.6	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-69.1	-35.1	172	0	0	0	0	0	111.8	G210 E211 S218	G210-A214 WeakPolarHBondContact O-CB 3.23Å; G210-A214 PolarHBondContact O-N 3.42Å; E211-A214 PolarHBondContact O-N 3.02Å; A214-S218 WeakPolarHBondContact O-CA 3.41Å; A214-S218 WeakPolarHBondContact O-CB 3.26Å; A214-S218 PolarHBondContact O-N 3.48Å
215	E	48.3	Very low	47.6	Very low	137 Å²	137	100.6 Å²	100.6	64%	0.64	53%	0.531	S	S	*	.	H	α-helix	trans	-75.7	-35.5	175.1	-164.7	169.3	-135.3	0	0	111.2	E211 S218 C219	E211-E215 WeakPolarHBondContact O-CB 3.47Å; E211-E215 PolarHBondContact O-N 2.96Å; E215-S218 PolarHBondContact O-N 3.35Å; E215-C219 VanDerWaalsContact O-CB 3.27Å; E215-C219 WeakPolarHBondContact O-CB 3.28Å; E215-C219 PolarHBondContact O-N 3.17Å; E215-C219 PolarHBondContact O-SG 3.06Å
216	K	55.2	Low	47.1	Very low	105 Å²	105	100.6 Å²	100.6	46%	0.457	53%	0.534	S	S	.	.	H	α-helix	trans	-67.7	-40.2	169.9	-72.6	160.9	-160.6	160.9	0	112.2	E212 C219 Q220	E212-K216 VanDerWaalsContact O-CB 3.23Å; E212-K216 WeakPolarHBondContact O-CB 3.29Å; E212-K216 WeakPolarHBondContact O-CD 3.44Å; E212-K216 WeakPolarHBondContact O-CG 3.44Å; E212-K216 PolarHBondContact O-N 2.85Å; E212-K216 IonicContact OE2-NZ 2.72Å; E212-K216 PolarHBondContact OE2-NZ 3.39Å; K216-C219 PolarHBondContact O-N 2.94Å; K216-Q220 WeakPolarHBondContact O-CB 3.35Å; K216-Q220 PolarHBondContact O-N 3.27Å
217	Q	50.1	Low	46.5	Very low	115 Å²	115	100.1 Å²	100.1	54%	0.537	53%	0.532	S	S	.	.	H	α-helix	trans	-72.5	-30.7	174.1	-71	176.3	29.4	0	0	112.2	E213 Q220 T221	E213-Q217 WeakPolarHBondContact O-CB 3.34Å; E213-Q217 WeakPolarHBondContact O-CG 3.41Å; E213-Q217 PolarHBondContact O-N 2.99Å; Q217-Q220 PolarHBondContact O-N 3.27Å; Q217-T221 WeakPolarHBondContact O-CB 3.48Å; Q217-T221 VanDerWaalsContact O-CG2 3.32Å; Q217-T221 WeakPolarHBondContact O-CG2 3.35Å; Q217-T221 PolarHBondContact O-N 3.19Å; Q217-T221 PolarHBondContact O-OG1 2.87Å
218	S	45.7	Very low	45.7	Very low	69 Å²	69	99.8 Å²	99.8	48%	0.483	53%	0.534	S	S	.	.	H	α-helix	trans	-68	-40.2	169.1	-177.1	0	0	0	0	111.3	A214 E215 T221 S222	A214-S218 WeakPolarHBondContact O-CA 3.41Å; A214-S218 WeakPolarHBondContact O-CB 3.26Å; A214-S218 PolarHBondContact O-N 3.48Å; E215-S218 PolarHBondContact O-N 3.35Å; S218-T221 WeakPolarHBondContact CA-OG1 3.37Å; S218-T221 PolarHBondContact O-OG1 3.32Å; S218-S222 VanDerWaalsContact O-CB 3.3Å; S218-S222 WeakPolarHBondContact O-CB 3.24Å; S218-S222 PolarHBondContact O-N 2.97Å; S218-S222 PolarHBondContact O-OG 2.98Å
219	C	44.3	Very low	45.2	Very low	63 Å²	63	100.3 Å²	100.3	43%	0.426	54%	0.537	S	S	.	.	H	α-helix	trans	-67.8	-38	172.1	-71	0	0	0	0	112.2	E215 K216 S222 L223	E215-C219 VanDerWaalsContact O-CB 3.27Å; E215-C219 WeakPolarHBondContact O-CB 3.28Å; E215-C219 PolarHBondContact O-N 3.17Å; E215-C219 PolarHBondContact O-SG 3.06Å; K216-C219 PolarHBondContact O-N 2.94Å; C219-S222 WeakPolarHBondContact CA-OG 3.41Å; C219-S222 PolarHBondContact O-OG 2.88Å; C219-L223 VanDerWaalsContact O-CB 3.3Å; C219-L223 WeakPolarHBondContact O-CB 3.29Å; C219-L223 WeakPolarHBondContact O-CD1 3.26Å; C219-L223 VanDerWaalsContact O-CG 3.27Å; C219-L223 WeakPolarHBondContact O-CG 3.22Å; C219-L223 PolarHBondContact O-N 3.37Å
220	Q	48.5	Very low	44.7	Very low	120 Å²	120	107.2 Å²	107.2	56%	0.561	56%	0.56	S	S	*	*	H	α-helix	trans	-72.5	-38.5	175.3	-98.9	165.4	-34.1	0	0	112.6	K216 Q217 L223 L224	K216-Q220 WeakPolarHBondContact O-CB 3.35Å; K216-Q220 PolarHBondContact O-N 3.27Å; Q217-Q220 PolarHBondContact O-N 3.27Å; Q220-L223 PolarHBondContact O-N 3.29Å; Q220-L224 WeakPolarHBondContact O-CB 3.04Å; Q220-L224 WeakPolarHBondContact O-CD1 3.05Å; Q220-L224 PolarHBondContact O-N 2.86Å
221	T	48.2	Very low	44.2	Very low	80 Å²	80	110.4 Å²	110.4	49%	0.491	58%	0.576	S	S	.	*	H	α-helix	trans	-72.9	-28.2	174.5	51.6	0	0	0	0	112.5	Q217 S218 N225	Q217-T221 WeakPolarHBondContact O-CB 3.48Å; Q217-T221 VanDerWaalsContact O-CG2 3.32Å; Q217-T221 WeakPolarHBondContact O-CG2 3.35Å; Q217-T221 PolarHBondContact O-N 3.19Å; Q217-T221 PolarHBondContact O-OG1 2.87Å; S218-T221 WeakPolarHBondContact CA-OG1 3.37Å; S218-T221 PolarHBondContact O-OG1 3.32Å; T221-N225 VanDerWaalsContact O-CB 3.26Å; T221-N225 WeakPolarHBondContact O-CB 3.36Å; T221-N225 VanDerWaalsContact O-CG 3.26Å; T221-N225 PolarHBondContact O-N 3.18Å; T221-N225 PolarHBondContact O-ND2 3.32Å
222	S	48.3	Very low	43.4	Very low	52 Å²	52	112.3 Å²	112.3	36%	0.364	59%	0.585	S	S	.	*	H	α-helix	trans	-78.7	-28.2	169.3	56.5	0	0	0	0	113.2	S218 C219 N226	S218-S222 VanDerWaalsContact O-CB 3.3Å; S218-S222 WeakPolarHBondContact O-CB 3.24Å; S218-S222 PolarHBondContact O-N 2.97Å; S218-S222 PolarHBondContact O-OG 2.98Å; C219-S222 WeakPolarHBondContact CA-OG 3.41Å; C219-S222 PolarHBondContact O-OG 2.88Å; S222-N226 WeakPolarHBondContact O-CB 3.36Å; S222-N226 PolarHBondContact O-N 3.28Å; S222-N226 VanDerWaalsContact O-N 3.1Å; S222-N226 PolarHBondContact O-ND2 3.27Å
223	L	48	Very low	42.8	Very low	107 Å²	107	114.8 Å²	114.8	56%	0.56	60%	0.597	S	S	*	*	H	α-helix	trans	-67.9	-48.6	168.2	-80.7	162.3	0	0	0	111.5	C219 Q220 N225 N226 E227	C219-L223 VanDerWaalsContact O-CB 3.3Å; C219-L223 WeakPolarHBondContact O-CB 3.29Å; C219-L223 WeakPolarHBondContact O-CD1 3.26Å; C219-L223 VanDerWaalsContact O-CG 3.27Å; C219-L223 WeakPolarHBondContact O-CG 3.22Å; C219-L223 PolarHBondContact O-N 3.37Å; Q220-L223 PolarHBondContact O-N 3.29Å; L223-N225 VanDerWaalsContact C-N 3.32Å; L223-N225 PolarHBondContact O-N 3.5Å; L223-N226 PolarHBondContact O-N 2.99Å; L223-N226 VanDerWaalsContact O-N 3.12Å; L223-E227 PolarHBondContact O-N 2.93Å
224	L	42.2	Very low	42.2	Very low	105 Å²	105	119 Å²	119	55%	0.55	61%	0.608	S	S	.	*	H	α-helix	trans	-62.6	-33.5	176	-93.2	130.8	0	0	0	113.4	Q220 L228	Q220-L224 WeakPolarHBondContact O-CB 3.04Å; Q220-L224 WeakPolarHBondContact O-CD1 3.05Å; Q220-L224 PolarHBondContact O-N 2.86Å; L224-L228 PolarHBondContact O-N 3.03Å
225	N	41.7	Very low	41.3	Very low	107 Å²	107	123 Å²	123	57%	0.572	62%	0.622	S	S	*	*	H	α-helix	trans	-78.6	-19.9	175	-77	-47.4	0	0	0	113.9	T221 L223	T221-N225 VanDerWaalsContact O-CB 3.26Å; T221-N225 WeakPolarHBondContact O-CB 3.36Å; T221-N225 VanDerWaalsContact O-CG 3.26Å; T221-N225 PolarHBondContact O-N 3.18Å; T221-N225 PolarHBondContact O-ND2 3.32Å; L223-N225 VanDerWaalsContact C-N 3.32Å; L223-N225 PolarHBondContact O-N 3.5Å
226	N	41.7	Very low	40.4	Very low	108 Å²	108	125.4 Å²	125.4	58%	0.578	63%	0.627	S	S	*	*	H	α-helix	trans	-85.1	-32.8	170.4	-79.4	-62.8	0	0	0	112.1	S222 L223 L228 Q229	S222-N226 WeakPolarHBondContact O-CB 3.36Å; S222-N226 PolarHBondContact O-N 3.28Å; S222-N226 VanDerWaalsContact O-N 3.1Å; S222-N226 PolarHBondContact O-ND2 3.27Å; L223-N226 PolarHBondContact O-N 2.99Å; L223-N226 VanDerWaalsContact O-N 3.12Å; N226-L228 VanDerWaalsContact C-N 3.27Å; N226-L228 PolarHBondContact O-N 2.99Å; N226-Q229 PolarHBondContact O-N 3.11Å
227	E	40	Very low	39.5	Very low	143 Å²	143	128.5 Å²	128.5	67%	0.668	64%	0.643	S	S	*	*	H	α-helix	trans	-67.8	-25.2	172.2	-74.3	-174.7	130.3	0	0	112.8	L223 Q229	L223-E227 PolarHBondContact O-N 2.93Å; E227-Q229 VanDerWaalsContact C-N 3.32Å; E227-Q229 PolarHBondContact O-N 3.44Å
228	L	37.4	Very low	38.7	Very low	135 Å²	135	128.3 Å²	128.3	71%	0.707	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-5.9	173.3	-106.9	78.4	0	0	0	115.3	L224 N226	L224-L228 PolarHBondContact O-N 3.03Å; N226-L228 VanDerWaalsContact C-N 3.27Å; N226-L228 PolarHBondContact O-N 2.99Å
229	Q	37.2	Very low	38.2	Very low	151 Å²	151	131.1 Å²	131.1	71%	0.706	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	9.6	176	-67.4	-163.8	-7.4	0	0	113.9	N226 E227	N226-Q229 PolarHBondContact O-N 3.11Å; E227-Q229 VanDerWaalsContact C-N 3.32Å; E227-Q229 PolarHBondContact O-N 3.44Å
230	H	34.6	Very low	37.6	Very low	179 Å²	179	135 Å²	135	83%	0.829	68%	0.675	S	S	*	*	S	Bend	trans	-125.7	43.2	179.5	-85.1	23.9	0	0	0	113.4
231	S	32.6	Very low	37	Very low	103 Å²	103	133 Å²	133	72%	0.72	68%	0.675	S	S	*	*			trans	-141.4	18.6	162.2	62.4	0	0	0	0	115.8	H233	S231-H233 PolarHBondContact O-N 3.12Å
232	E	29.9	Very low	36.5	Very low	184 Å²	184	135.7 Å²	135.7	86%	0.86	69%	0.686	S	S	*	*			trans	-77.2	60.4	165.6	-68.7	-162.9	151.4	0	0	112.2
233	H	32.4	Very low	35.9	Very low	167 Å²	167	139.2 Å²	139.2	77%	0.773	70%	0.701	S	S	*	*			trans	-159.6	140.9	166.1	-119.8	-89.3	0	0	0	112.2	S231	S231-H233 PolarHBondContact O-N 3.12Å
234	Y	30.7	Very low	35.2	Very low	212 Å²	212	140.6 Å²	140.6	83%	0.831	71%	0.709	S	S	*	*			trans	87.7	69.2	177.4	-70.2	-84.3	0	0	0	120.1
235	N	30.7	Very low	35.1	Very low	140 Å²	140	141.2 Å²	141.2	75%	0.749	71%	0.711	S	S	*	*				12.1	133.6	123	-93.2	-22	0	0	0	121.3
236	Y	29.2	Very low	34.8	Very low	189 Å²	189	144.4 Å²	144.4	74%	0.741	72%	0.723	S	S	*	*			trans	94	125	136.5	-88.9	-126	0	0	0	122.4
237	Q	36.5	Very low	34.7	Very low	169 Å²	169	144 Å²	144	79%	0.79	73%	0.729	S	S	*	*			trans	78.2	139.3	148	-68.4	172.9	-8.9	0	0	119.1
238	V	32.9	Very low	34.6	Very low	112 Å²	112	145.2 Å²	145.2	68%	0.679	74%	0.74	S	S	*	*			cis	-162.8	140.4	-11	111	0	0	0	0	112.2
239	N	34.2	Very low	34.6	Very low	127 Å²	127	142.1 Å²	142.1	68%	0.679	74%	0.74	S	S	*	*			trans	52.4	135.6	151	-57.5	-10.5	0	0	0	126.2
240	N	33	Very low	34.5	Very low	145 Å²	145	145.3 Å²	145.3	78%	0.775	75%	0.747	S	S	*	*			trans	71	148.9	135	-70.5	9.7	0	0	0	121.4
241	S	35.3	Very low	34.7	Very low	79 Å²	79	142.3 Å²	142.3	55%	0.552	74%	0.742	S	S	*	*			cis	-178.4	149.1	-17.9	-96.9	0	0	0	0	110.6
242	N	37	Very low	34.8	Very low	136 Å²	136	145.8 Å²	145.8	73%	0.727	75%	0.747	S	S	*	*			trans	67	155.9	152.3	-56.6	-13.5	0	0	0	118.9
243	N	36.3	Very low	35.2	Very low	126 Å²	126	140.5 Å²	140.5	67%	0.674	74%	0.741	S	S	*	*			cis	-174.5	161.9	-28	-100.4	-16.8	0	0	0	108.9
244	N	34.1	Very low	35.3	Very low	135 Å²	135	139.1 Å²	139.1	72%	0.722	74%	0.739	S	S	*	*			trans	71.9	152.2	150	-69.1	1.6	0	0	0	118.9
245	I	39.9	Very low	35.5	Very low	118 Å²	118	136.7 Å²	136.7	61%	0.605	74%	0.741	S	S	*	*			cis	-163.9	147.5	1.6	-117.7	166.3	0	0	0	111.9
246	E	36	Very low	35.5	Very low	174 Å²	174	137 Å²	137	81%	0.813	74%	0.741	S	S	*	*			trans	49.2	161.1	149.3	-57.9	168.5	-173.9	0	0	122.5
247	S	39.8	Very low	35.8	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	75%	0.747	S	S	*	*			cis	-156.4	150.1	13.8	49.9	0	0	0	0	115.6
248	N	36.4	Very low	35.7	Very low	168 Å²	168	131.2 Å²	131.2	90%	0.898	74%	0.741	S	S	*	*			trans	45.2	138.8	140.2	-61.7	-20	0	0	0	126.6
249	G	37.9	Very low	35.5	Very low	70 Å²	70	133.3 Å²	133.3	72%	0.722	75%	0.748	S	S	*	*			trans	164.7	71.6	149.4	0	0	0	0	0	122.1
250	Y	35.3	Very low	35.6	Very low	218 Å²	218	136 Å²	136	86%	0.855	76%	0.757	S	S	*	*			trans	50.4	115.6	145.5	-84.7	-103.4	0	0	0	122.5
251	V	38.8	Very low	35.5	Very low	117 Å²	117	137 Å²	137	71%	0.709	76%	0.761	S	S	*	*				82	137.2	100.9	157	0	0	0	0	114.8
252	E	35.2	Very low	35.3	Very low	176 Å²	176	139.5 Å²	139.5	82%	0.822	78%	0.777	S	S	*	*			cis	-172.9	153.2	-7.9	170.6	175	-139.8	0	0	107.8
253	G	36.8	Very low	34.9	Very low	73 Å²	73	141 Å²	141	75%	0.753	79%	0.785	S	S	*	*			trans	160.3	102	173.9	0	0	0	0	0	116.3
254	N	35.6	Very low	34.7	Very low	137 Å²	137	144.3 Å²	144.3	73%	0.733	80%	0.796	S	S	*	*			trans	-87	145.1	-172.3	-56	-49.9	0	0	0	114.4
255	N	35.3	Very low	34.6	Very low	162 Å²	162	147.4 Å²	147.4	87%	0.866	80%	0.804	S	S	*	*				175.1	136	102	-89	-35.6	0	0	0	113
256	I	30	Very low	34.4	Very low	146 Å²	146	148.2 Å²	148.2	75%	0.749	81%	0.814	S	S	*	*			trans	-131.6	125.1	179.7	-62.8	168.1	0	0	0	109.1	S258	I256-S258 WeakPolarHBondContact CG2-OG 3.39Å
257	V	35.4	Very low	34.1	Very low	141 Å²	141	147.5 Å²	147.5	86%	0.855	82%	0.816	S	S	*	*			trans	-157.2	107.6	154.3	-175.1	0	0	0	0	104.6
258	S	34.1	Very low	33.8	Very low	95 Å²	95	149 Å²	149	66%	0.664	82%	0.821	S	S	*	*			cis	74.7	102.5	40.7	-60.2	0	0	0	0	114.8	I256	I256-S258 WeakPolarHBondContact CG2-OG 3.39Å
259	D	28.7	Very low	33.4	Very low	156 Å²	156	146.7 Å²	146.7	83%	0.834	82%	0.817	S	S	*	*			trans	-58.5	147.7	167.2	-66.5	-63.7	0	0	0	112.8
260	Q	36.4	Very low	33.3	Very low	185 Å²	185	151 Å²	151	86%	0.864	82%	0.822	S	S	*	*			trans	-167.8	113	142.3	-106.7	152.2	34.5	0	0	113.9
261	L	30.4	Very low	33.1	Very low	165 Å²	165	146.5 Å²	146.5	86%	0.864	82%	0.822	S	S	*	*			trans	22.3	123.6	133.4	-69.6	155	0	0	0	119.8
262	C	32.4	Very low	32.9	Very low	131 Å²	131	144.2 Å²	144.2	89%	0.885	82%	0.822	S	S	*	*				-166.5	136.9	121	41.5	0	0	0	0	113.4
263	N	27.3	Very low	33	Very low	167 Å²	167	142.2 Å²	142.2	89%	0.893	82%	0.823	S	S	*	*			trans	-88.7	140.1	164.7	-91.9	-47.2	0	0	0	108.7
264	E	33.7	Very low	32.8	Very low	196 Å²	196	148.4 Å²	148.4	92%	0.916	83%	0.829	S	S	*	*			trans	-149.9	141.9	153.1	-131.4	170.7	-161.3	0	0	113.7
265	K	31.3	Very low	32.7	Very low	201 Å²	201	147.1 Å²	147.1	87%	0.874	83%	0.831	S	S	*	*			trans	-97.5	137.2	-178	-64.9	167.1	178.4	169.1	0	109.3
266	T	35.2	Very low	32.6	Very low	135 Å²	135	146.7 Å²	146.7	83%	0.828	83%	0.828	S	S	*	*			trans	-127.2	117.3	164	47.3	0	0	0	0	111.5
267	N	29.3	Very low	32.7	Very low	159 Å²	159	144.9 Å²	144.9	85%	0.85	84%	0.835	S	S	*	*			trans	-84.7	137.5	167.2	-75.1	-40.9	0	0	0	109
268	V	33.7	Very low	32.6	Very low	132 Å²	132	141.3 Å²	141.3	80%	0.8	83%	0.827	S	S	*	*			trans	-133.7	115.8	158.9	-179.1	0	0	0	0	109.1	I270	V268-I270 HydrophobicContact CG1-CG1 4.4Å
269	S	28.8	Very low	32.5	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	83%	0.834	S	S	*	*			trans	-104.6	129.5	172.1	-59.1	0	0	0	0	109.2
270	I	35.7	Very low	32.7	Very low	162 Å²	162	147.4 Å²	147.4	83%	0.831	84%	0.836	S	S	*	*			trans	-130.1	131.5	162.8	-62	-177.2	0	0	0	108.4	V268	V268-I270 HydrophobicContact CG1-CG1 4.4Å
271	S	31.8	Very low	32.7	Very low	122 Å²	122	143.7 Å²	143.7	85%	0.853	83%	0.826	S	S	*	*			trans	-104.4	150.7	-175.3	49.3	0	0	0	0	111.4
272	G	33.7	Very low	32.7	Very low	69 Å²	69	142.7 Å²	142.7	71%	0.711	82%	0.821	S	S	*	*			trans	-174	63.5	-172.8	0	0	0	0	0	117.3
273	T	37.1	Very low	32.9	Very low	135 Å²	135	142.8 Å²	142.8	83%	0.828	81%	0.813	S	S	*	*			trans	43.8	103.4	147.2	56.5	0	0	0	0	122.3
274	K	32.6	Very low	33.3	Very low	202 Å²	202	140.3 Å²	140.3	88%	0.878	80%	0.804	S	S	*	*				31.9	121.4	127.8	-59.5	177.3	179.2	178.2	0	120.1
275	S	34.7	Very low	33.5	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	80%	0.797	S	S	*	*				169	162.1	99.2	51.5	0	0	0	0	114.4
276	N	32.5	Very low	33.9	Very low	152 Å²	152	134.6 Å²	134.6	81%	0.813	79%	0.789	S	S	*	*			trans	67.9	88.8	167.9	-71.1	2.9	0	0	0	121.2
277	A	31.3	Very low	34.1	Very low	108 Å²	108	133.2 Å²	133.2	89%	0.893	79%	0.785	S	S	*	*				31.1	108.7	119.4	0	0	0	0	0	119.4
278	G	33.2	Very low	34.7	Very low	67 Å²	67	133.3 Å²	133.3	69%	0.691	79%	0.785	S	S	*	*			trans	-152.3	126.6	162.2	0	0	0	0	0	109.9	Y280	G278-Y280 PolarHBondContact O-N 3.3Å
279	I	33.2	Very low	35	Very low	159 Å²	159	131.2 Å²	131.2	82%	0.815	77%	0.77	S	S	*	*			trans	-68.6	117.6	-171.6	-66	158.9	0	0	0	110.5	V281	I279-V281 HydrophobicContact CG2-CG1 4.21Å
280	Y	32.9	Very low	35.7	Very low	220 Å²	220	132.1 Å²	132.1	86%	0.863	76%	0.761	S	S	*	*			trans	-90.2	97.2	166.6	-101	-96.8	0	0	0	109.7	G278	G278-Y280 PolarHBondContact O-N 3.3Å
281	V	36	Very low	35.9	Very low	107 Å²	107	132.2 Å²	132.2	65%	0.648	75%	0.752	S	S	*	*			trans	-80.4	126.4	164.1	-90.5	0	0	0	0	109.5	I279 D283	I279-V281 HydrophobicContact CG2-CG1 4.21Å; V281-D283 PolarHBondContact O-N 3.07Å
282	N	31	Very low	36.4	Very low	144 Å²	144	133 Å²	133	77%	0.77	75%	0.747	S	S	*	*			trans	-83.3	90.9	172	-73.2	-37.4	0	0	0	109.1	T284	N282-T284 VanDerWaalsContact C-N 3.29Å; N282-T284 PolarHBondContact O-N 2.84Å
283	D	36.5	Very low	36.7	Very low	133 Å²	133	134.8 Å²	134.8	71%	0.711	74%	0.74	S	S	*	*			trans	-77.7	80.9	171.3	-75.5	-7.7	0	0	0	110.2	V281	V281-D283 PolarHBondContact O-N 3.07Å
284	T	34.9	Very low	36.9	Very low	115 Å²	115	135.2 Å²	135.2	71%	0.706	74%	0.737	S	S	*	*			trans	-76.2	152.2	159.3	35.2	0	0	0	0	111.1	N282	N282-T284 VanDerWaalsContact C-N 3.29Å; N282-T284 PolarHBondContact O-N 2.84Å
285	D	37.8	Very low	37.6	Very low	145 Å²	145	133 Å²	133	78%	0.775	74%	0.735	S	S	*	*			trans	72.5	109.2	168.3	-56.5	-37.3	0	0	0	120
286	D	40.1	Very low	37.9	Very low	131 Å²	131	136 Å²	136	70%	0.701	74%	0.736	S	S	*	*			trans	-146.7	84	148.7	-105	-34.4	0	0	0	106.5	D288 R384	D286-D288 PolarHBondContact O-N 3.34Å; D286-D288 VanDerWaalsContact O-N 3.15Å; D286-R384 IonicContact OD2-NH2 3.47Å; D286-R384 PolarHBondContact OD2-NH2 2.84Å
287	S	39.9	Very low	39	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	73%	0.733	S	S	*	*			trans	-89.4	67.3	-169.1	-164.7	0	0	0	0	113.1	N289	S287-N289 VanDerWaalsContact C-N 3.26Å; S287-N289 PolarHBondContact O-N 2.97Å
288	D	40.7	Very low	39.6	Very low	161 Å²	161	139.3 Å²	139.3	86%	0.861	73%	0.731	S	S	*	*			trans	-85.5	63.7	177.2	-128.6	1.7	0	0	0	111.5	D286	D286-D288 PolarHBondContact O-N 3.34Å; D286-D288 VanDerWaalsContact O-N 3.15Å
289	N	40.8	Very low	40.3	Very low	88 Å²	88	142.4 Å²	142.4	47%	0.471	73%	0.731	S	S	.	*			trans	-115.2	71.7	173.1	-92.7	-29.7	0	0	0	110.7	S287 Y291	S287-N289 VanDerWaalsContact C-N 3.26Å; S287-N289 PolarHBondContact O-N 2.97Å; N289-Y291 HydrophobicContact CB-CD2 4.25Å; N289-Y291 HydrophobicContact CB-CE2 3.89Å; N289-Y291 WeakPolarHBondContact O-CD2 3.29Å; N289-Y291 PolarHBondContact O-N 3.38Å
290	Q	42.7	Very low	40.9	Very low	137 Å²	137	140.3 Å²	140.3	64%	0.64	73%	0.726	S	S	*	*			trans	-69.4	94.5	166	-168.8	157.9	85.7	0	0	109.1	D292	Q290-D292 PolarHBondContact O-N 3.34Å
291	Y	39.8	Very low	41.7	Very low	164 Å²	164	137 Å²	137	64%	0.643	72%	0.724	S	S	*	*			trans	-74.2	88.2	177.2	-77.5	-84.2	0	0	0	111.3	N289 N293	N289-Y291 HydrophobicContact CB-CD2 4.25Å; N289-Y291 HydrophobicContact CB-CE2 3.89Å; N289-Y291 WeakPolarHBondContact O-CD2 3.29Å; N289-Y291 PolarHBondContact O-N 3.38Å; Y291-N293 VanDerWaalsContact C-N 3.28Å; Y291-N293 PolarHBondContact O-N 3.31Å
292	D	43.6	Very low	42.5	Very low	140 Å²	140	138.8 Å²	138.8	75%	0.749	73%	0.729	S	S	*	*			trans	-73.3	82.7	159.3	-78.9	-37	0	0	0	109.4	Q290	Q290-D292 PolarHBondContact O-N 3.34Å
293	N	39.6	Very low	43	Very low	105 Å²	105	139.7 Å²	139.7	56%	0.561	73%	0.734	S	S	*	*			trans	-132.7	82.5	170.2	-82.3	-22.5	0	0	0	108.8	Y291	Y291-N293 VanDerWaalsContact C-N 3.28Å; Y291-N293 PolarHBondContact O-N 3.31Å
294	D	41.3	Very low	43.7	Very low	144 Å²	144	141 Å²	141	77%	0.77	74%	0.741	S	S	*	*			trans	-144.5	51.8	178.2	-115.7	-2.4	0	0	0	109.2
295	D	46.9	Very low	44	Very low	157 Å²	157	144.9 Å²	144.9	84%	0.84	75%	0.751	S	S	*	*			trans	-136.1	53.3	169.8	-80.1	-39.2	0	0	0	109	M297	D295-M297 PolarHBondContact O-N 3.07Å
296	E	40.6	Very low	43.9	Very low	172 Å²	172	147 Å²	147	80%	0.804	76%	0.756	S	S	*	*			trans	-78.8	97.4	159.6	-75.4	-174.2	160.5	0	0	107.8
297	M	56.9	Low	44.2	Very low	150 Å²	150	150.1 Å²	150.1	74%	0.739	77%	0.767	S	S	*	*			trans	-88.1	112.8	159.8	-72.3	-77.5	-66.6	0	0	106.9	D295 D299	D295-M297 PolarHBondContact O-N 3.07Å; M297-D299 VanDerWaalsContact C-N 3.29Å; M297-D299 PolarHBondContact O-N 3.09Å
298	E	44.2	Very low	44	Very low	181 Å²	181	153.7 Å²	153.7	85%	0.846	77%	0.772	S	S	*	*			trans	-73.3	86.3	166.2	-66.7	173.2	150.8	0	0	107.6	T300	E298-T300 PolarHBondContact O-N 2.84Å
299	D	47.7	Very low	44	Very low	132 Å²	132	152.6 Å²	152.6	71%	0.706	77%	0.766	S	S	*	*			trans	-80	104.7	161.1	-71.5	-31.6	0	0	0	106.6	M297	M297-D299 VanDerWaalsContact C-N 3.29Å; M297-D299 PolarHBondContact O-N 3.09Å
300	T	44.8	Very low	44	Very low	115 Å²	115	156.1 Å²	156.1	71%	0.706	78%	0.78	S	S	*	*			trans	-92.2	101.6	171.6	-45.4	0	0	0	0	106.7	E298	E298-T300 PolarHBondContact O-N 2.84Å
301	D	50.1	Low	43.9	Very low	151 Å²	151	156 Å²	156	81%	0.807	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-98.3	126.3	167.6	-71	-38	0	0	0	107.4
302	D	52.7	Low	43.8	Very low	144 Å²	144	155 Å²	155	77%	0.77	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70.2	148.4	-171.9	-62.9	-70.2	0	0	0	112.7
303	D	40.7	Very low	43.7	Very low	162 Å²	162	152.3 Å²	152.3	87%	0.866	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-70.9	125.2	167.7	-58.9	-67.7	0	0	0	109.5
304	D	51.2	Low	43.7	Very low	162 Å²	162	155.3 Å²	155.3	87%	0.866	80%	0.797	S	S	*	*			trans	-138	140.3	159.8	-95.4	-39.6	0	0	0	108.3
305	E	42.3	Very low	43.6	Very low	196 Å²	196	156.4 Å²	156.4	92%	0.916	80%	0.798	S	S	*	*			trans	-85.1	177.6	-158.2	-65.4	177.4	148.4	0	0	115.1
306	E	36.5	Very low	43.2	Very low	188 Å²	188	155.9 Å²	155.9	88%	0.879	80%	0.795	S	S	*	*			trans	-51.2	147.8	-179.2	-57.4	166.9	172.6	0	0	114.6
307	E	44.5	Very low	43.5	Very low	197 Å²	197	155.2 Å²	155.2	92%	0.921	80%	0.797	S	S	*	*				-164.7	160.6	127.2	-83.2	-128.8	168.7	0	0	109.8
308	E	36.5	Very low	43.2	Very low	181 Å²	181	155.8 Å²	155.8	85%	0.846	80%	0.803	S	S	*	*			trans	-96.1	-168.3	-164.2	-57.8	-173	126.2	0	0	113.9
309	D	41.1	Very low	43.4	Very low	139 Å²	139	154.2 Å²	154.2	74%	0.743	80%	0.8	S	S	*	*			trans	85.1	102	160.9	-62.1	-15.6	0	0	0	122.2
310	E	41.6	Very low	44	Very low	161 Å²	161	157 Å²	157	75%	0.752	81%	0.806	S	S	*	*				73.6	136.7	123.4	-68.4	-152.3	174.1	0	0	124.1
311	N	39.3	Very low	44.7	Very low	135 Å²	135	162.6 Å²	162.6	72%	0.722	81%	0.814	S	S	*	*			trans	75.2	98.4	147.8	-65.3	-35.7	0	0	0	121.4
312	D	37.7	Very low	45.4	Very low	143 Å²	143	167 Å²	167	77%	0.765	82%	0.82	S	S	*	*				99	132.4	111	-159.1	21.3	0	0	0	119.5
313	S	41.3	Very low	46.6	Very low	83 Å²	83	171.8 Å²	171.8	58%	0.58	83%	0.827	S	S	*	*			trans	45.5	102.7	157.2	-70.3	0	0	0	0	119.1
314	N	39.6	Very low	48.4	Very low	168 Å²	168	174.4 Å²	174.4	90%	0.898	83%	0.825	S	S	*	*				-171.2	120.6	107.6	-96.2	-61.5	0	0	0	112
315	E	39.6	Very low	50	Low	168 Å²	168	172.1 Å²	172.1	79%	0.785	82%	0.817	S	S	*	*			trans	-76.6	162.6	172.8	-65	-172.7	130.8	0	0	112.6
316	N	39.4	Very low	52.2	Low	146 Å²	146	171.2 Å²	171.2	78%	0.781	81%	0.805	S	S	*	*			trans	77.7	81.4	162.1	-52	-62	0	0	0	119.1
317	D	46.9	Very low	54.8	Low	157 Å²	157	164 Å²	164	84%	0.84	77%	0.773	S	S	*	*				-165.5	13.1	123.7	-137	-6.7	0	0	0	118.3	N319	D317-N319 PolarHBondContact O-N 2.74Å
318	N	49.7	Very low	57.1	Low	162 Å²	162	160.3 Å²	160.3	87%	0.866	76%	0.76	S	S	*	*			trans	-94.8	31.9	-169.4	-83	-46.6	0	0	0	116.8	K320	N318-K320 PolarHBondContact O-N 2.77Å
319	N	48.6	Very low	60	Low	148 Å²	148	154.4 Å²	154.4	79%	0.791	73%	0.732	S	S	*	*			trans	-79.8	28.9	-176	-140.7	-20.2	0	0	0	115.1	D317 R321	D317-N319 PolarHBondContact O-N 2.74Å; N319-R321 PolarHBondContact O-N 3.03Å
320	K	60.5	Low	62.6	Low	190 Å²	190	150.4 Å²	150.4	83%	0.826	72%	0.715	S	S	*	*			trans	-72.8	89.9	166.7	-83.4	173.8	-179.1	160.7	0	109	N318 R322	N318-K320 PolarHBondContact O-N 2.77Å; K320-R322 PolarHBondContact O-N 2.83Å
321	R	58.1	Low	65.3	Low	233 Å²	233	145.3 Å²	145.3	88%	0.879	71%	0.706	S	S	*	*			trans	-39.5	95.9	176.9	-64.6	-178.8	-179.8	-175.3	-0	112.2	N319 R323	N319-R321 PolarHBondContact O-N 3.03Å; R321-R323 PolarHBondContact O-N 3.27Å
322	R	66.7	Low	68	Low	245 Å²	245	145.8 Å²	145.8	93%	0.925	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-54.7	121.7	176.3	-82.7	-179.6	146.2	-171.8	-8	108.3	K320 R324	K320-R322 PolarHBondContact O-N 2.83Å; R322-R324 PolarHBondContact O-N 2.9Å
323	R	76.7	Confident	70.9	Confident	244 Å²	244	140.5 Å²	140.5	92%	0.921	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-60.2	121.7	175.2	-83.7	-179.5	165.4	177.8	-4.1	108	R321 T325	R321-R323 PolarHBondContact O-N 3.27Å; R323-T325 PolarHBondContact O-N 3.05Å
324	R	77.9	Confident	73.6	Confident	216 Å²	216	139 Å²	139	82%	0.815	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-57.9	126.3	178.8	-176.2	179.9	-74.8	128.2	-6.8	109.7	R322	R322-R324 PolarHBondContact O-N 2.9Å
325	T	85.7	Confident	76.4	Confident	114 Å²	114	135.7 Å²	135.7	70%	0.699	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-52.4	137.6	-176.4	-43.5	0	0	0	0	112	R323 R365	R323-T325 PolarHBondContact O-N 3.05Å; T325-R365 PolarHBondContact O-NH1 3.2Å; T325-R365 PolarHBondContact O-NH2 2.97Å
326	R	88.3	Confident	79.1	Confident	178 Å²	178	129.4 Å²	129.4	67%	0.672	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-71.5	130.2	174.8	178.9	174.8	171.9	175.5	-5.9	108.9
327	T	90.6	Very high	81.9	Confident	35 Å²	35	122.4 Å²	122.4	22%	0.215	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-84	125.7	171.4	-59.3	0	0	0	0	108.8	F329 L361 R365	T327-F329 HydrophobicContact CG2-CD1 4.27Å; T327-F329 HydrophobicContact CG2-CE1 3.98Å; T327-F329 HydrophobicContact CG2-CE2 4.34Å; T327-F329 HydrophobicContact CG2-CZ 4.02Å; T327-L361 HydrophobicContact CG2-CD2 4.1Å; T327-R365 WeakPolarHBondContact OG1-CD 3.36Å; T327-R365 PolarHBondContact OG1-NE 3.15Å; T327-R365 VanDerWaalsContact OG1-NE 3.13Å; T327-R365 PolarHBondContact OG1-NH1 2.87Å
328	N	94.2	Very high	84.4	Confident	120 Å²	120	118.9 Å²	118.9	64%	0.642	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-101	123.4	167.9	-65.5	-34.5	0	0	0	107.6
329	F	96	Very high	86.7	Confident	58 Å²	58	115.5 Å²	115.5	25%	0.254	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-89.4	136.1	178.9	-58	-86.2	0	0	0	109.4	T327 Q333 L334 L337 L361 W369	T327-F329 HydrophobicContact CG2-CD1 4.27Å; T327-F329 HydrophobicContact CG2-CE1 3.98Å; T327-F329 HydrophobicContact CG2-CE2 4.34Å; T327-F329 HydrophobicContact CG2-CZ 4.02Å; F329-Q333 HydrophobicContact CB-CB 4.41Å; F329-L334 HydrophobicContact CB-CD1 4.48Å; F329-L334 HydrophobicContact CB-CD2 3.7Å; F329-L334 HydrophobicContact CB-CG 3.81Å; F329-L334 HydrophobicContact CD2-CD2 4.4Å; F329-L334 HydrophobicContact CG-CD2 4.16Å; F329-L337 HydrophobicContact CD1-CD1 4.03Å; F329-L337 HydrophobicContact CE1-CD1 4.22Å; F329-L361 HydrophobicContact CD1-CD1 3.75Å; F329-L361 HydrophobicContact CD1-CD2 4.33Å; F329-L361 HydrophobicContact CE1-CD1 3.88Å; F329-L361 HydrophobicContact CE1-CD2 4.38Å; F329-W369 AromaticContact CE2-CD1 3.75Å; F329-W369 HydrophobicContact CZ-CB 4.09Å; F329-W369 AromaticContact CZ-CD1 3.82Å; F329-W369 HydrophobicContact CZ-CG 4.34Å
330	S	96.7	Very high	89	Confident	55 Å²	55	109.9 Å²	109.9	39%	0.385	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-70.3	160.6	172.2	81.6	0	0	0	0	111.2	Q332 Q333 L334	S330-Q332 VanDerWaalsContact C-N 3.26Å; S330-Q332 PolarHBondContact O-N 3.25Å; S330-Q333 PolarHBondContact O-N 3.29Å; S330-Q333 VanDerWaalsContact O-N 3.13Å; S330-Q333 WeakPolarHBondContact OG-CG 3.15Å; S330-Q333 PolarHBondContact OG-N 3.47Å; S330-L334 WeakPolarHBondContact O-CG 3.2Å; S330-L334 PolarHBondContact O-N 3.46Å
331	G	97.1	Very high	90.8	Very high	54 Å²	54	101.4 Å²	101.4	56%	0.557	47%	0.472	S	S	*	.	H	α-helix	trans	-56.5	-40	175.7	0	0	0	0	0	112.8	L334 T335	G331-L334 PolarHBondContact O-N 2.85Å; G331-T335 PolarHBondContact O-N 2.91Å; G331-T335 PolarHBondContact O-OG1 3.49Å
332	Q	97.1	Very high	92.7	Very high	144 Å²	144	100.3 Å²	100.3	67%	0.673	47%	0.468	S	S	*	.	H	α-helix	trans	-63	-44.8	175	-178.4	-177.3	-10.1	0	0	112	S330 L334 T335 E336	S330-Q332 VanDerWaalsContact C-N 3.26Å; S330-Q332 PolarHBondContact O-N 3.25Å; Q332-L334 VanDerWaalsContact C-N 3.33Å; Q332-L334 PolarHBondContact O-N 3.46Å; Q332-T335 PolarHBondContact O-N 3.29Å; Q332-E336 PolarHBondContact O-N 3.08Å; Q332-E336 VanDerWaalsContact O-N 3.14Å
333	Q	98	Very high	94.1	Very high	33 Å²	33	94.6 Å²	94.6	15%	0.154	46%	0.461	C	S	.	.	H	α-helix	trans	-61.8	-41.7	177.5	-71.3	170.5	-23.6	0	0	111.6	F329 S330 L337 L359 L361	F329-Q333 HydrophobicContact CB-CB 4.41Å; S330-Q333 PolarHBondContact O-N 3.29Å; S330-Q333 VanDerWaalsContact O-N 3.13Å; S330-Q333 WeakPolarHBondContact OG-CG 3.15Å; S330-Q333 PolarHBondContact OG-N 3.47Å; Q333-L337 WeakPolarHBondContact O-CB 3.3Å; Q333-L337 WeakPolarHBondContact O-CD1 3.13Å; Q333-L337 WeakPolarHBondContact O-CG 3.33Å; Q333-L337 PolarHBondContact O-N 2.97Å; Q333-L359 HydrophobicContact CG-CB 4.23Å; Q333-L359 HydrophobicContact CG-CD2 4.37Å; Q333-L359 PolarHBondContact NE2-O 3.27Å; Q333-L361 HydrophobicContact CB-CD1 4.3Å; Q333-L361 HydrophobicContact CG-CD1 4.14Å
334	L	98.2	Very high	95.1	Very high	52 Å²	52	85.2 Å²	85.2	27%	0.272	43%	0.432	S	S	.	.	H	α-helix	trans	-63.1	-43.9	175.8	-68.9	174.8	0	0	0	112	F329 S330 G331 Q332 E336 L337 E338	F329-L334 HydrophobicContact CB-CD1 4.48Å; F329-L334 HydrophobicContact CB-CD2 3.7Å; F329-L334 HydrophobicContact CB-CG 3.81Å; F329-L334 HydrophobicContact CD2-CD2 4.4Å; F329-L334 HydrophobicContact CG-CD2 4.16Å; S330-L334 WeakPolarHBondContact O-CG 3.2Å; S330-L334 PolarHBondContact O-N 3.46Å; G331-L334 PolarHBondContact O-N 2.85Å; Q332-L334 VanDerWaalsContact C-N 3.33Å; Q332-L334 PolarHBondContact O-N 3.46Å; L334-E336 PolarHBondContact O-N 2.9Å; L334-L337 PolarHBondContact O-N 3.39Å; L334-E338 WeakPolarHBondContact O-CB 3.29Å; L334-E338 WeakPolarHBondContact O-CG 3.42Å; L334-E338 PolarHBondContact O-N 2.97Å
335	T	97.7	Very high	96	Very high	98 Å²	98	77.9 Å²	77.9	60%	0.601	41%	0.407	S	S	*	.	H	α-helix	trans	-59.4	-45.1	178.2	-60.6	0	0	0	0	112.5	G331 Q332 E338 L339	G331-T335 PolarHBondContact O-N 2.91Å; G331-T335 PolarHBondContact O-OG1 3.49Å; Q332-T335 PolarHBondContact O-N 3.29Å; T335-E338 PolarHBondContact O-N 3.15Å; T335-L339 WeakPolarHBondContact O-CB 3.41Å; T335-L339 PolarHBondContact O-N 3.01Å
336	E	97.6	Very high	96.6	Very high	35 Å²	35	79.7 Å²	79.7	16%	0.164	40%	0.402	C	S	.	.	H	α-helix	trans	-68.2	-41.1	178.3	-69.5	-81	-154.7	0	0	112	Q332 L334 E338 L339 V340 R358 L359	Q332-E336 PolarHBondContact O-N 3.08Å; Q332-E336 VanDerWaalsContact O-N 3.14Å; L334-E336 PolarHBondContact O-N 2.9Å; E336-E338 VanDerWaalsContact C-N 3.32Å; E336-E338 PolarHBondContact O-N 3.39Å; E336-L339 WeakPolarHBondContact O-CB 3.35Å; E336-L339 PolarHBondContact O-N 3.06Å; E336-V340 PolarHBondContact O-N 3.5Å; E336-R358 IonicContact OE1-CZ 3.16Å; E336-R358 IonicContact OE1-NE 2.73Å; E336-R358 PolarHBondContact OE1-NE 3.04Å; E336-R358 IonicContact OE1-NH2 2.73Å; E336-R358 PolarHBondContact OE1-NH2 3.47Å; E336-R358 IonicContact OE2-NH2 2.73Å; E336-L359 HydrophobicContact CB-CD1 4.28Å; E336-L359 HydrophobicContact CB-CD2 3.68Å; E336-L359 HydrophobicContact CG-CD2 3.87Å
337	L	98.5	Very high	97	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-62.8	-38.5	174.4	-71.3	167.8	0	0	0	111.9	F329 Q333 L334 F341 L359 I366 W369 F370	F329-L337 HydrophobicContact CD1-CD1 4.03Å; F329-L337 HydrophobicContact CE1-CD1 4.22Å; Q333-L337 WeakPolarHBondContact O-CB 3.3Å; Q333-L337 WeakPolarHBondContact O-CD1 3.13Å; Q333-L337 WeakPolarHBondContact O-CG 3.33Å; Q333-L337 PolarHBondContact O-N 2.97Å; L334-L337 PolarHBondContact O-N 3.39Å; L337-F341 VanDerWaalsContact O-CB 3.29Å; L337-F341 WeakPolarHBondContact O-CB 3.33Å; L337-F341 PolarHBondContact O-N 3.38Å; L337-L359 HydrophobicContact CD1-CD1 4.49Å; L337-L359 HydrophobicContact CD2-CD1 3.97Å; L337-L359 HydrophobicContact CG-CD1 3.84Å; L337-I366 HydrophobicContact CD2-CD1 4.38Å; L337-I366 HydrophobicContact CD2-CG1 4.17Å; L337-I366 HydrophobicContact CD2-CG2 3.92Å; L337-W369 HydrophobicContact CB-CD2 4.01Å; L337-W369 HydrophobicContact CB-CE3 3.96Å; L337-W369 HydrophobicContact CB-CH2 3.67Å; L337-W369 HydrophobicContact CB-CZ2 3.69Å; L337-W369 HydrophobicContact CB-CZ3 3.81Å; L337-W369 HydrophobicContact CD1-CD2 3.95Å; L337-W369 HydrophobicContact CD1-CG 3.94Å; L337-W369 HydrophobicContact CD2-CE3 4.35Å; L337-W369 HydrophobicContact CG-CD2 4.39Å; L337-W369 WeakPolarHBondContact O-CH2 3.37Å; L337-W369 WeakPolarHBondContact O-CZ3 3.47Å; L337-F370 HydrophobicContact CD2-CD2 4.48Å; L337-F370 HydrophobicContact CD2-CE2 3.83Å
338	E	98.3	Very high	97.4	Very high	83 Å²	83	73 Å²	73	39%	0.388	38%	0.384	S	S	.	.	H	α-helix	trans	-72	-34.2	174.3	-69.9	-155	141.4	0	0	113.1	L334 T335 E336 F341 R342 W369 R373	L334-E338 WeakPolarHBondContact O-CB 3.29Å; L334-E338 WeakPolarHBondContact O-CG 3.42Å; L334-E338 PolarHBondContact O-N 2.97Å; T335-E338 PolarHBondContact O-N 3.15Å; E336-E338 VanDerWaalsContact C-N 3.32Å; E336-E338 PolarHBondContact O-N 3.39Å; E338-F341 PolarHBondContact O-N 3.15Å; E338-R342 WeakPolarHBondContact O-CG 3.49Å; E338-R342 PolarHBondContact O-N 3.28Å; E338-W369 HydrophobicContact CG-CH2 3.81Å; E338-W369 HydrophobicContact CG-CZ2 3.81Å; E338-R373 IonicContact OE1-CZ 3.17Å; E338-R373 IonicContact OE1-NE 3.44Å; E338-R373 PolarHBondContact OE1-NE 3.04Å; E338-R373 IonicContact OE1-NH2 2.95Å; E338-R373 PolarHBondContact OE1-NH2 3.29Å
339	L	97.7	Very high	97.5	Very high	91 Å²	91	72.9 Å²	72.9	48%	0.476	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-50.9	173.5	-179.2	62.8	0	0	0	110.9	T335 E336 F341 R342 V343	T335-L339 WeakPolarHBondContact O-CB 3.41Å; T335-L339 PolarHBondContact O-N 3.01Å; E336-L339 WeakPolarHBondContact O-CB 3.35Å; E336-L339 PolarHBondContact O-N 3.06Å; L339-F341 VanDerWaalsContact C-N 3.34Å; L339-F341 PolarHBondContact O-N 3.04Å; L339-R342 WeakPolarHBondContact O-CB 3.1Å; L339-R342 PolarHBondContact O-N 2.86Å; L339-V343 PolarHBondContact O-N 3.02Å
340	V	97.9	Very high	97.6	Very high	30 Å²	30	76.1 Å²	76.1	18%	0.182	40%	0.4	C	S	.	.	H	α-helix	trans	-67.7	-34.3	176.8	177.5	0	0	0	0	111.7	E336 R342 V343 S344 P347 V351 L355 F370	E336-V340 PolarHBondContact O-N 3.5Å; V340-R342 VanDerWaalsContact C-N 3.25Å; V340-R342 PolarHBondContact O-N 3.48Å; V340-V343 PolarHBondContact O-N 3.36Å; V340-V343 VanDerWaalsContact O-N 3.08Å; V340-S344 PolarHBondContact O-N 3.27Å; V340-P347 HydrophobicContact CG1-CB 4.43Å; V340-V351 HydrophobicContact CG1-CG1 4.07Å; V340-L355 HydrophobicContact CB-CD1 4.05Å; V340-L355 HydrophobicContact CG1-CD1 3.99Å; V340-L355 HydrophobicContact CG2-CD1 3.98Å; V340-L355 HydrophobicContact CG2-CD2 3.95Å; V340-L355 HydrophobicContact CG2-CG 4.35Å; V340-F370 HydrophobicContact CB-CZ 4.2Å; V340-F370 HydrophobicContact CG1-CZ 4Å
341	F	98.2	Very high	97.6	Very high	11 Å²	11	75.8 Å²	75.8	5%	0.048	40%	0.395	C	S	.	.	H	α-helix	trans	-60.6	-32.5	173.9	-170.7	-96.7	0	0	0	113.2	L337 E338 L339 S344 H345 W369 F370 R373 R374 W377	L337-F341 VanDerWaalsContact O-CB 3.29Å; L337-F341 WeakPolarHBondContact O-CB 3.33Å; L337-F341 PolarHBondContact O-N 3.38Å; E338-F341 PolarHBondContact O-N 3.15Å; L339-F341 VanDerWaalsContact C-N 3.34Å; L339-F341 PolarHBondContact O-N 3.04Å; F341-S344 CarbonylContact O-C 3.57Å; F341-H345 AromaticContact CD1-CD2 3.65Å; F341-H345 AromaticContact CE1-CD2 3.27Å; F341-H345 WeakPolarHBondContact CE1-CD2 3.24Å; F341-H345 AromaticContact CE1-NE2 3.62Å; F341-H345 HydrophobicContact CE2-CB 4.29Å; F341-H345 AromaticContact CE2-CD2 3.71Å; F341-H345 AromaticContact CZ-CD2 3.3Å; F341-H345 WeakPolarHBondContact CZ-CD2 3.19Å; F341-H345 PolarHBondContact O-CD2 2.82Å; F341-W369 HydrophobicContact CB-CH2 4.23Å; F341-W369 HydrophobicContact CB-CZ3 4.12Å; F341-W369 HydrophobicContact CD2-CZ3 4.2Å; F341-W369 HydrophobicContact CG-CZ3 4.39Å; F341-F370 HydrophobicContact CB-CE1 3.98Å; F341-F370 HydrophobicContact CB-CZ 4.47Å; F341-F370 AromaticContact CD2-CD1 3.75Å; F341-F370 HydrophobicContact CD2-CD1 3.75Å; F341-F370 AromaticContact CD2-CE1 3.82Å; F341-F370 HydrophobicContact CD2-CE1 3.82Å; F341-F370 HydrophobicContact CE2-CD1 4.49Å; F341-F370 HydrophobicContact CG-CE1 4.41Å; F341-R373 HydrophobicContact CD1-CG 3.82Å; F341-R373 HydrophobicContact CD2-CB 3.95Å; F341-R373 HydrophobicContact CD2-CG 3.58Å; F341-R373 HydrophobicContact CE1-CG 3.7Å; F341-R373 HydrophobicContact CE2-CB 3.67Å; F341-R373 HydrophobicContact CE2-CG 3.45Å; F341-R373 VanDerWaalsContact CE2-CG 3.45Å; F341-R373 HydrophobicContact CG-CG 3.77Å; F341-R373 HydrophobicContact CZ-CB 4.11Å; F341-R373 HydrophobicContact CZ-CG 3.52Å; F341-R374 HydrophobicContact CE2-CG 3.87Å; F341-R374 HydrophobicContact CZ-CG 4.37Å; F341-W377 HydrophobicContact CE1-CB 4.43Å; F341-W377 HydrophobicContact CZ-CB 4.03Å; F341-W377 HydrophobicContact CZ-CG 4.38Å
342	R	97	Very high	97.7	Very high	210 Å²	210	75.2 Å²	75.2	79%	0.792	38%	0.377	S	S	*	.	H	α-helix	trans	-70.5	-30.4	174.1	-71	173.6	68.4	-175.6	2.3	113.1	E338 L339 V340	E338-R342 WeakPolarHBondContact O-CG 3.49Å; E338-R342 PolarHBondContact O-N 3.28Å; L339-R342 WeakPolarHBondContact O-CB 3.1Å; L339-R342 PolarHBondContact O-N 2.86Å; V340-R342 VanDerWaalsContact C-N 3.25Å; V340-R342 PolarHBondContact O-N 3.48Å
343	V	97.1	Very high	97.7	Very high	126 Å²	126	71.8 Å²	71.8	76%	0.764	36%	0.36	S	S	*	.	H	α-helix	trans	-80.3	-46.8	176.1	179.8	0	0	0	0	110.8	L339 V340	L339-V343 PolarHBondContact O-N 3.02Å; V340-V343 PolarHBondContact O-N 3.36Å; V340-V343 VanDerWaalsContact O-N 3.08Å
344	S	96.9	Very high	97.7	Very high	47 Å²	47	75.9 Å²	75.9	33%	0.329	38%	0.379	S	S	.	.			trans	-146.2	124	174.6	179.8	0	0	0	0	112.2	V340 F341 Y346	V340-S344 PolarHBondContact O-N 3.27Å; F341-S344 CarbonylContact O-C 3.57Å; S344-Y346 PolarHBondContact O-N 3.47Å; S344-Y346 PolarHBondContact OG-N 2.97Å; S344-Y346 VanDerWaalsContact OG-N 3.08Å; S344-Y346 PolarHBondContact OG-O 3.32Å
345	H	97.1	Very high	97.7	Very high	61 Å²	61	73.9 Å²	73.9	28%	0.282	37%	0.369	S	S	.	.	S	Bend	trans	-65.9	-16.9	169.4	-59.7	134.1	0	0	0	113.1	F341 R374	F341-H345 AromaticContact CD1-CD2 3.65Å; F341-H345 AromaticContact CE1-CD2 3.27Å; F341-H345 WeakPolarHBondContact CE1-CD2 3.24Å; F341-H345 AromaticContact CE1-NE2 3.62Å; F341-H345 HydrophobicContact CE2-CB 4.29Å; F341-H345 AromaticContact CE2-CD2 3.71Å; F341-H345 AromaticContact CZ-CD2 3.3Å; F341-H345 WeakPolarHBondContact CZ-CD2 3.19Å; F341-H345 PolarHBondContact O-CD2 2.82Å; H345-R374 HydrophobicContact CB-CG 4.42Å; H345-R374 VanDerWaalsContact O-CD 3.3Å; H345-R374 WeakPolarHBondContact O-CD 3Å; H345-R374 PolarHBondContact O-NH1 3.14Å
346	Y	98.3	Very high	97.7	Very high	152 Å²	152	69.9 Å²	69.9	60%	0.596	35%	0.346	S	S	*	.	S	Bend	trans	-132.4	70.7	-175.6	-66.3	-97.8	0	0	0	110.4	S344	S344-Y346 PolarHBondContact O-N 3.47Å; S344-Y346 PolarHBondContact OG-N 2.97Å; S344-Y346 VanDerWaalsContact OG-N 3.08Å; S344-Y346 PolarHBondContact OG-O 3.32Å
347	P	97.7	Very high	97.7	Very high	11 Å²	11	76 Å²	76	7%	0.071	38%	0.375	C	S	.	.			trans	-63.7	141.5	177.5	27.9	-36.5	0	0	0	111.4	V340 V351 R352 F370	V340-P347 HydrophobicContact CG1-CB 4.43Å; P347-V351 HydrophobicContact CB-CB 4.14Å; P347-V351 HydrophobicContact CB-CG1 3.78Å; P347-R352 HydrophobicContact CB-CG 4.05Å; P347-R352 HydrophobicContact CG-CG 3.78Å; P347-R352 PolarHBondContact O-NH1 3.21Å; P347-F370 VanDerWaalsContact CD-CD1 3.44Å; P347-F370 HydrophobicContact CG-CD1 3.66Å; P347-F370 HydrophobicContact CG-CD2 4.13Å; P347-F370 HydrophobicContact CG-CE1 3.57Å; P347-F370 HydrophobicContact CG-CE2 4.05Å; P347-F370 HydrophobicContact CG-CG 3.96Å; P347-F370 HydrophobicContact CG-CZ 3.8Å
348	S	97.8	Very high	97.6	Very high	63 Å²	63	83.6 Å²	83.6	44%	0.441	40%	0.403	S	S	.	.			trans	-63.2	170.7	175.9	69.9	0	0	0	0	111.7	V351 R352	S348-V351 PolarHBondContact O-N 3.13Å; S348-V351 WeakPolarHBondContact OG-CG2 3.41Å; S348-V351 PolarHBondContact OG-N 3.39Å; S348-R352 WeakPolarHBondContact O-CG 3.09Å; S348-R352 PolarHBondContact O-N 3.04Å; S348-R352 PolarHBondContact O-NH1 3.15Å
349	M	97	Very high	97.6	Very high	117 Å²	117	80.4 Å²	80.4	58%	0.576	39%	0.389	S	S	*	.	H	α-helix	trans	-57.3	-51.2	176.7	-177.8	161.8	167.9	0	0	111.4	V351 R352 E353	M349-V351 PolarHBondContact O-N 3.22Å; M349-R352 PolarHBondContact O-N 3.21Å; M349-E353 WeakPolarHBondContact CE-OE1 3.04Å; M349-E353 WeakPolarHBondContact O-CG 3.42Å; M349-E353 PolarHBondContact O-N 3.5Å
350	I	97.6	Very high	97.5	Very high	125 Å²	125	79.2 Å²	79.2	64%	0.641	40%	0.399	S	S	*	.	H	α-helix	trans	-54.8	-47.5	179.4	-56.3	171.6	0	0	0	111.5	R352 E353 E354	I350-R352 VanDerWaalsContact C-N 3.29Å; I350-R352 PolarHBondContact O-N 3.5Å; I350-E353 PolarHBondContact O-N 3.31Å; I350-E353 VanDerWaalsContact O-N 3.12Å; I350-E354 PolarHBondContact O-N 3.41Å
351	V	97.4	Very high	97.5	Very high	49 Å²	49	78.6 Å²	78.6	30%	0.297	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-31.9	179.3	173.6	0	0	0	0	112.1	V340 P347 S348 M349 L355	V340-V351 HydrophobicContact CG1-CG1 4.07Å; P347-V351 HydrophobicContact CB-CB 4.14Å; P347-V351 HydrophobicContact CB-CG1 3.78Å; S348-V351 PolarHBondContact O-N 3.13Å; S348-V351 WeakPolarHBondContact OG-CG2 3.41Å; S348-V351 PolarHBondContact OG-N 3.39Å; M349-V351 PolarHBondContact O-N 3.22Å; V351-L355 WeakPolarHBondContact O-CB 3.44Å; V351-L355 WeakPolarHBondContact O-CG 3.43Å; V351-L355 PolarHBondContact O-N 3.24Å; V351-L355 VanDerWaalsContact O-N 3.16Å
352	R	98.2	Very high	97.4	Very high	42 Å²	42	81.7 Å²	81.7	16%	0.158	42%	0.415	C	S	.	.	H	α-helix	trans	-75.3	-30.9	174.5	-65	-168.1	-47.2	-82.6	-3.6	112.4	P347 S348 M349 I350 A356 E363 I366	P347-R352 HydrophobicContact CB-CG 4.05Å; P347-R352 HydrophobicContact CG-CG 3.78Å; P347-R352 PolarHBondContact O-NH1 3.21Å; S348-R352 WeakPolarHBondContact O-CG 3.09Å; S348-R352 PolarHBondContact O-N 3.04Å; S348-R352 PolarHBondContact O-NH1 3.15Å; M349-R352 PolarHBondContact O-N 3.21Å; I350-R352 VanDerWaalsContact C-N 3.29Å; I350-R352 PolarHBondContact O-N 3.5Å; R352-A356 VanDerWaalsContact O-CB 3.22Å; R352-A356 WeakPolarHBondContact O-CB 3.35Å; R352-A356 PolarHBondContact O-N 3.25Å; R352-E363 HydrophobicContact CB-CG 4.04Å; R352-E363 IonicContact CZ-OE1 2.84Å; R352-E363 IonicContact NE-OE1 2.69Å; R352-E363 PolarHBondContact NE-OE1 3.39Å; R352-E363 IonicContact NH2-OE1 3.47Å; R352-E363 PolarHBondContact NH2-OE1 3.45Å; R352-I366 HydrophobicContact CB-CG2 4.25Å; R352-I366 HydrophobicContact CG-CG2 4.12Å
353	E	98.2	Very high	97.4	Very high	72 Å²	72	74.1 Å²	74.1	34%	0.336	39%	0.389	S	S	.	.	H	α-helix	trans	-72.2	-41.5	175.5	-70.7	170.5	161.4	0	0	111.7	M349 I350 A356 Q357 E363	M349-E353 WeakPolarHBondContact CE-OE1 3.04Å; M349-E353 WeakPolarHBondContact O-CG 3.42Å; M349-E353 PolarHBondContact O-N 3.5Å; I350-E353 PolarHBondContact O-N 3.31Å; I350-E353 VanDerWaalsContact O-N 3.12Å; E353-A356 WeakPolarHBondContact O-CB 3.05Å; E353-A356 PolarHBondContact O-N 3.18Å; E353-Q357 WeakPolarHBondContact O-CG 3.19Å; E353-Q357 PolarHBondContact O-N 3.12Å; E353-E363 HydrophobicContact CG-CG 4.19Å
354	E	97.5	Very high	97.4	Very high	118 Å²	118	71 Å²	71	55%	0.551	37%	0.373	S	S	*	.	H	α-helix	trans	-61	-47.6	172.4	-169.8	-166.6	154	0	0	111.2	I350 A356 Q357 R358	I350-E354 PolarHBondContact O-N 3.41Å; E354-A356 VanDerWaalsContact C-N 3.29Å; E354-A356 PolarHBondContact O-N 3.17Å; E354-Q357 PolarHBondContact O-N 2.91Å; E354-R358 WeakPolarHBondContact O-CB 3.47Å; E354-R358 PolarHBondContact O-N 2.76Å
355	L	97.6	Very high	97.4	Very high	11 Å²	11	71.9 Å²	71.9	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-61.7	-35.6	173.5	-78.9	173.7	0	0	0	112.8	V340 V351 L359 I366 F370	V340-L355 HydrophobicContact CB-CD1 4.05Å; V340-L355 HydrophobicContact CG1-CD1 3.99Å; V340-L355 HydrophobicContact CG2-CD1 3.98Å; V340-L355 HydrophobicContact CG2-CD2 3.95Å; V340-L355 HydrophobicContact CG2-CG 4.35Å; V351-L355 WeakPolarHBondContact O-CB 3.44Å; V351-L355 WeakPolarHBondContact O-CG 3.43Å; V351-L355 PolarHBondContact O-N 3.24Å; V351-L355 VanDerWaalsContact O-N 3.16Å; L355-L359 HydrophobicContact CD2-CD1 4.21Å; L355-L359 VanDerWaalsContact O-CB 3.23Å; L355-L359 WeakPolarHBondContact O-CB 3.27Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.21Å; L355-L359 PolarHBondContact O-N 3.47Å; L355-I366 HydrophobicContact CB-CD1 3.69Å; L355-F370 HydrophobicContact CD1-CE2 4.27Å; L355-F370 HydrophobicContact CD1-CZ 4.49Å
356	A	98	Very high	97.4	Very high	14 Å²	14	69 Å²	69	12%	0.116	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-47.3	178.4	0	0	0	0	0	111	R352 E353 E354 G360 L361 E363 I366	R352-A356 VanDerWaalsContact O-CB 3.22Å; R352-A356 WeakPolarHBondContact O-CB 3.35Å; R352-A356 PolarHBondContact O-N 3.25Å; E353-A356 WeakPolarHBondContact O-CB 3.05Å; E353-A356 PolarHBondContact O-N 3.18Å; E354-A356 VanDerWaalsContact C-N 3.29Å; E354-A356 PolarHBondContact O-N 3.17Å; A356-G360 PolarHBondContact O-N 2.87Å; A356-G360 VanDerWaalsContact O-N 3.1Å; A356-L361 CarbonylContact C-O 3.53Å; A356-L361 WeakPolarHBondContact CA-O 3.08Å; A356-L361 WeakPolarHBondContact CB-O 3.23Å; A356-L361 PolarHBondContact O-N 3.48Å; A356-L361 VanDerWaalsContact O-O 3.13Å; A356-E363 HydrophobicContact CB-CB 4.27Å; A356-I366 VanDerWaalsContact CA-CD1 3.49Å; A356-I366 HydrophobicContact CB-CD1 4.03Å; A356-I366 VanDerWaalsContact N-CD1 3.34Å
357	Q	97.5	Very high	97.4	Very high	163 Å²	163	65.5 Å²	65.5	76%	0.762	34%	0.344	S	S	*	.	H	α-helix	trans	-63.7	-53.5	175.5	-64.9	172.8	26.8	0	0	111.1	E353 E354 L359 G360	E353-Q357 WeakPolarHBondContact O-CG 3.19Å; E353-Q357 PolarHBondContact O-N 3.12Å; E354-Q357 PolarHBondContact O-N 2.91Å; Q357-L359 VanDerWaalsContact C-N 3.26Å; Q357-L359 PolarHBondContact O-N 2.87Å; Q357-G360 PolarHBondContact O-N 3.49Å
358	R	97.1	Very high	97.4	Very high	160 Å²	160	68.1 Å²	68.1	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-60.6	-30.4	-177.5	179	172	168.8	152.9	-6	114	E336 E354	E336-R358 IonicContact OE1-CZ 3.16Å; E336-R358 IonicContact OE1-NE 2.73Å; E336-R358 PolarHBondContact OE1-NE 3.04Å; E336-R358 IonicContact OE1-NH2 2.73Å; E336-R358 PolarHBondContact OE1-NH2 3.47Å; E336-R358 IonicContact OE2-NH2 2.73Å; E354-R358 WeakPolarHBondContact O-CB 3.47Å; E354-R358 PolarHBondContact O-N 2.76Å
359	L	97.1	Very high	97.4	Very high	16 Å²	16	66.3 Å²	66.3	8%	0.084	34%	0.344	C	S	.	.	H	α-helix	trans	-101.1	-4.7	-177.5	-59.8	177.8	0	0	0	114.4	Q333 E336 L337 L355 Q357 L361	Q333-L359 HydrophobicContact CG-CB 4.23Å; Q333-L359 HydrophobicContact CG-CD2 4.37Å; Q333-L359 PolarHBondContact NE2-O 3.27Å; E336-L359 HydrophobicContact CB-CD1 4.28Å; E336-L359 HydrophobicContact CB-CD2 3.68Å; E336-L359 HydrophobicContact CG-CD2 3.87Å; L337-L359 HydrophobicContact CD1-CD1 4.49Å; L337-L359 HydrophobicContact CD2-CD1 3.97Å; L337-L359 HydrophobicContact CG-CD1 3.84Å; L355-L359 HydrophobicContact CD2-CD1 4.21Å; L355-L359 VanDerWaalsContact O-CB 3.23Å; L355-L359 WeakPolarHBondContact O-CB 3.27Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.21Å; L355-L359 PolarHBondContact O-N 3.47Å; Q357-L359 VanDerWaalsContact C-N 3.26Å; Q357-L359 PolarHBondContact O-N 2.87Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L359-L361 HydrophobicContact CB-CB 4.5Å; L359-L361 HydrophobicContact CB-CD1 3.86Å; L359-L361 HydrophobicContact CB-CG 4.14Å; L359-L361 HydrophobicContact CD1-CD1 4.32Å
360	G	97.1	Very high	97.5	Very high	66 Å²	66	60.9 Å²	60.9	68%	0.68	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	38.3	-174.8	0	0	0	0	0	112.8	A356 Q357	A356-G360 PolarHBondContact O-N 2.87Å; A356-G360 VanDerWaalsContact O-N 3.1Å; Q357-G360 PolarHBondContact O-N 3.49Å
361	L	96.3	Very high	97.5	Very high	16 Å²	16	59.1 Å²	59.1	8%	0.084	31%	0.306	C	S	.	.			trans	-127.4	139.7	-175	-69.2	171.2	0	0	0	110.4	T327 F329 Q333 A356 L359 E363 I366	T327-L361 HydrophobicContact CG2-CD2 4.1Å; F329-L361 HydrophobicContact CD1-CD1 3.75Å; F329-L361 HydrophobicContact CD1-CD2 4.33Å; F329-L361 HydrophobicContact CE1-CD1 3.88Å; F329-L361 HydrophobicContact CE1-CD2 4.38Å; Q333-L361 HydrophobicContact CB-CD1 4.3Å; Q333-L361 HydrophobicContact CG-CD1 4.14Å; A356-L361 CarbonylContact C-O 3.53Å; A356-L361 WeakPolarHBondContact CA-O 3.08Å; A356-L361 WeakPolarHBondContact CB-O 3.23Å; A356-L361 PolarHBondContact O-N 3.48Å; A356-L361 VanDerWaalsContact O-O 3.13Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L359-L361 HydrophobicContact CB-CB 4.5Å; L359-L361 HydrophobicContact CB-CD1 3.86Å; L359-L361 HydrophobicContact CB-CG 4.14Å; L359-L361 HydrophobicContact CD1-CD1 4.32Å; L361-E363 PolarHBondContact O-N 2.79Å; L361-I366 HydrophobicContact CB-CD1 4.4Å; L361-I366 HydrophobicContact CB-CG1 4.31Å
362	P	96.6	Very high	97.5	Very high	77 Å²	77	61.6 Å²	61.6	50%	0.5	32%	0.317	S	S	.	.			trans	-61.3	139.7	172.2	-20.8	31.5	0	0	0	111.6	S364 R365 I366	P362-S364 PolarHBondContact O-N 3.41Å; P362-S364 VanDerWaalsContact O-N 3.1Å; P362-R365 HydrophobicContact CB-CG 4.19Å; P362-R365 HydrophobicContact CG-CG 4.16Å; P362-R365 WeakPolarHBondContact O-CA 3.3Å; P362-R365 WeakPolarHBondContact O-CB 3.46Å; P362-R365 PolarHBondContact O-N 2.85Å; P362-I366 PolarHBondContact O-N 3Å
363	E	97.7	Very high	97.5	Very high	51 Å²	51	61.6 Å²	61.6	24%	0.238	32%	0.318	C	S	.	.	H	α-helix	trans	-47.9	-43.1	177.6	-176.9	-77.9	161.6	0	0	111.8	R352 E353 A356 L361 R365 I366 Q367	R352-E363 HydrophobicContact CB-CG 4.04Å; R352-E363 IonicContact CZ-OE1 2.84Å; R352-E363 IonicContact NE-OE1 2.69Å; R352-E363 PolarHBondContact NE-OE1 3.39Å; R352-E363 IonicContact NH2-OE1 3.47Å; R352-E363 PolarHBondContact NH2-OE1 3.45Å; E353-E363 HydrophobicContact CG-CG 4.19Å; A356-E363 HydrophobicContact CB-CB 4.27Å; L361-E363 PolarHBondContact O-N 2.79Å; E363-R365 PolarHBondContact O-N 3.38Å; E363-I366 CarbonylContact O-C 3.43Å; E363-I366 WeakPolarHBondContact O-CA 3.43Å; E363-I366 WeakPolarHBondContact O-CB 3.36Å; E363-I366 PolarHBondContact O-N 2.83Å; E363-Q367 PolarHBondContact O-N 3.13Å
364	S	96.5	Very high	97.4	Very high	60 Å²	60	60.1 Å²	60.1	42%	0.42	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-30.6	178.3	61	0	0	0	0	113.9	P362 V368	P362-S364 PolarHBondContact O-N 3.41Å; P362-S364 VanDerWaalsContact O-N 3.1Å; S364-V368 WeakPolarHBondContact O-CB 3.3Å; S364-V368 VanDerWaalsContact O-CG2 3.28Å; S364-V368 WeakPolarHBondContact O-CG2 3.27Å; S364-V368 PolarHBondContact O-N 2.8Å
365	R	97	Very high	97.3	Very high	65 Å²	65	55.9 Å²	55.9	25%	0.245	29%	0.294	C	S	.	.	H	α-helix	trans	-74.2	-36.3	175.5	-59.8	-55.4	-172.6	147	11.8	111.2	T325 T327 P362 E363 W369	T325-R365 PolarHBondContact O-NH1 3.2Å; T325-R365 PolarHBondContact O-NH2 2.97Å; T327-R365 WeakPolarHBondContact OG1-CD 3.36Å; T327-R365 PolarHBondContact OG1-NE 3.15Å; T327-R365 VanDerWaalsContact OG1-NE 3.13Å; T327-R365 PolarHBondContact OG1-NH1 2.87Å; P362-R365 HydrophobicContact CB-CG 4.19Å; P362-R365 HydrophobicContact CG-CG 4.16Å; P362-R365 WeakPolarHBondContact O-CA 3.3Å; P362-R365 WeakPolarHBondContact O-CB 3.46Å; P362-R365 PolarHBondContact O-N 2.85Å; E363-R365 PolarHBondContact O-N 3.38Å; R365-W369 WeakPolarHBondContact O-CB 3.37Å; R365-W369 PolarHBondContact O-N 3.22Å
366	I	97.8	Very high	97.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.3	-46.9	173	-62.1	-173.4	0	0	0	110	L337 R352 L355 A356 L361 P362 E363 V368 W369 F370	L337-I366 HydrophobicContact CD2-CD1 4.38Å; L337-I366 HydrophobicContact CD2-CG1 4.17Å; L337-I366 HydrophobicContact CD2-CG2 3.92Å; R352-I366 HydrophobicContact CB-CG2 4.25Å; R352-I366 HydrophobicContact CG-CG2 4.12Å; L355-I366 HydrophobicContact CB-CD1 3.69Å; A356-I366 VanDerWaalsContact CA-CD1 3.49Å; A356-I366 HydrophobicContact CB-CD1 4.03Å; A356-I366 VanDerWaalsContact N-CD1 3.34Å; L361-I366 HydrophobicContact CB-CD1 4.4Å; L361-I366 HydrophobicContact CB-CG1 4.31Å; P362-I366 PolarHBondContact O-N 3Å; E363-I366 CarbonylContact O-C 3.43Å; E363-I366 WeakPolarHBondContact O-CA 3.43Å; E363-I366 WeakPolarHBondContact O-CB 3.36Å; E363-I366 PolarHBondContact O-N 2.83Å; I366-V368 VanDerWaalsContact C-N 3.34Å; I366-V368 PolarHBondContact O-N 3.13Å; I366-W369 WeakPolarHBondContact O-CB 3.29Å; I366-W369 PolarHBondContact O-N 2.95Å; I366-W369 VanDerWaalsContact O-N 3.11Å; I366-F370 HydrophobicContact CG2-CD2 3.67Å; I366-F370 HydrophobicContact CG2-CE2 3.75Å; I366-F370 WeakPolarHBondContact O-CD2 3.48Å; I366-F370 PolarHBondContact O-N 2.81Å
367	Q	97.6	Very high	96.8	Very high	79 Å²	79	64.9 Å²	64.9	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-53.5	-48.8	175.3	-165.5	-161	29.4	0	0	111.6	E363 F370 Q371	E363-Q367 PolarHBondContact O-N 3.13Å; Q367-F370 PolarHBondContact O-N 3.13Å; Q367-Q371 WeakPolarHBondContact O-CG 3.49Å; Q367-Q371 PolarHBondContact O-N 2.69Å
368	V	97.4	Very high	96.5	Very high	67 Å²	67	62.2 Å²	62.2	41%	0.406	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-38.9	176.5	170	0	0	0	0	112	S364 I366 Q371 N372	S364-V368 WeakPolarHBondContact O-CB 3.3Å; S364-V368 VanDerWaalsContact O-CG2 3.28Å; S364-V368 WeakPolarHBondContact O-CG2 3.27Å; S364-V368 PolarHBondContact O-N 2.8Å; I366-V368 VanDerWaalsContact C-N 3.34Å; I366-V368 PolarHBondContact O-N 3.13Å; V368-Q371 PolarHBondContact O-N 2.87Å; V368-N372 WeakPolarHBondContact O-CB 3.43Å; V368-N372 PolarHBondContact O-N 2.71Å; V368-N372 PolarHBondContact O-ND2 3.23Å
369	W	98.2	Very high	95.8	Very high	25 Å²	25	61.9 Å²	61.9	10%	0.095	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-48.2	175	-174.4	103.1	0	0	0	111.1	F329 L337 E338 F341 R365 I366 Q371 N372 R373	F329-W369 AromaticContact CE2-CD1 3.75Å; F329-W369 HydrophobicContact CZ-CB 4.09Å; F329-W369 AromaticContact CZ-CD1 3.82Å; F329-W369 HydrophobicContact CZ-CG 4.34Å; L337-W369 HydrophobicContact CB-CD2 4.01Å; L337-W369 HydrophobicContact CB-CE3 3.96Å; L337-W369 HydrophobicContact CB-CH2 3.67Å; L337-W369 HydrophobicContact CB-CZ2 3.69Å; L337-W369 HydrophobicContact CB-CZ3 3.81Å; L337-W369 HydrophobicContact CD1-CD2 3.95Å; L337-W369 HydrophobicContact CD1-CG 3.94Å; L337-W369 HydrophobicContact CD2-CE3 4.35Å; L337-W369 HydrophobicContact CG-CD2 4.39Å; L337-W369 WeakPolarHBondContact O-CH2 3.37Å; L337-W369 WeakPolarHBondContact O-CZ3 3.47Å; E338-W369 HydrophobicContact CG-CH2 3.81Å; E338-W369 HydrophobicContact CG-CZ2 3.81Å; F341-W369 HydrophobicContact CB-CH2 4.23Å; F341-W369 HydrophobicContact CB-CZ3 4.12Å; F341-W369 HydrophobicContact CD2-CZ3 4.2Å; F341-W369 HydrophobicContact CG-CZ3 4.39Å; R365-W369 WeakPolarHBondContact O-CB 3.37Å; R365-W369 PolarHBondContact O-N 3.22Å; I366-W369 WeakPolarHBondContact O-CB 3.29Å; I366-W369 PolarHBondContact O-N 2.95Å; I366-W369 VanDerWaalsContact O-N 3.11Å; W369-Q371 PolarHBondContact O-N 2.99Å; W369-N372 PolarHBondContact O-N 2.68Å; W369-R373 HydrophobicContact CE3-CB 4.05Å; W369-R373 HydrophobicContact CH2-CB 4.02Å; W369-R373 HydrophobicContact CH2-CG 3.66Å; W369-R373 HydrophobicContact CZ2-CB 4.5Å; W369-R373 HydrophobicContact CZ2-CG 4.27Å; W369-R373 HydrophobicContact CZ3-CB 3.78Å; W369-R373 HydrophobicContact CZ3-CG 3.85Å; W369-R373 WeakPolarHBondContact O-CB 3.46Å; W369-R373 PolarHBondContact O-N 3.28Å
370	F	98.5	Very high	95	Very high	2 Å²	2	68 Å²	68	1%	0.009	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-38.1	178.2	-89.4	-91.7	0	0	0	112.3	L337 V340 F341 P347 L355 I366 Q367 R373 R374	L337-F370 HydrophobicContact CD2-CD2 4.48Å; L337-F370 HydrophobicContact CD2-CE2 3.83Å; V340-F370 HydrophobicContact CB-CZ 4.2Å; V340-F370 HydrophobicContact CG1-CZ 4Å; F341-F370 HydrophobicContact CB-CE1 3.98Å; F341-F370 HydrophobicContact CB-CZ 4.47Å; F341-F370 AromaticContact CD2-CD1 3.75Å; F341-F370 HydrophobicContact CD2-CD1 3.75Å; F341-F370 AromaticContact CD2-CE1 3.82Å; F341-F370 HydrophobicContact CD2-CE1 3.82Å; F341-F370 HydrophobicContact CE2-CD1 4.49Å; F341-F370 HydrophobicContact CG-CE1 4.41Å; P347-F370 VanDerWaalsContact CD-CD1 3.44Å; P347-F370 HydrophobicContact CG-CD1 3.66Å; P347-F370 HydrophobicContact CG-CD2 4.13Å; P347-F370 HydrophobicContact CG-CE1 3.57Å; P347-F370 HydrophobicContact CG-CE2 4.05Å; P347-F370 HydrophobicContact CG-CG 3.96Å; P347-F370 HydrophobicContact CG-CZ 3.8Å; L355-F370 HydrophobicContact CD1-CE2 4.27Å; L355-F370 HydrophobicContact CD1-CZ 4.49Å; I366-F370 HydrophobicContact CG2-CD2 3.67Å; I366-F370 HydrophobicContact CG2-CE2 3.75Å; I366-F370 WeakPolarHBondContact O-CD2 3.48Å; I366-F370 PolarHBondContact O-N 2.81Å; Q367-F370 PolarHBondContact O-N 3.13Å; F370-R373 PolarHBondContact O-N 2.78Å; F370-R374 WeakPolarHBondContact O-CB 3.39Å; F370-R374 WeakPolarHBondContact O-CG 3.16Å; F370-R374 PolarHBondContact O-N 3.46Å
371	Q	97.6	Very high	93.9	Very high	89 Å²	89	68.5 Å²	68.5	42%	0.416	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-47.6	171.9	-73.1	175.8	21.6	0	0	111.7	Q367 V368 W369 R374 A375	Q367-Q371 WeakPolarHBondContact O-CG 3.49Å; Q367-Q371 PolarHBondContact O-N 2.69Å; V368-Q371 PolarHBondContact O-N 2.87Å; W369-Q371 PolarHBondContact O-N 2.99Å; Q371-R374 PolarHBondContact O-N 2.88Å; Q371-A375 WeakPolarHBondContact O-CB 3.37Å; Q371-A375 PolarHBondContact O-N 3.23Å
372	N	98	Very high	92.3	Very high	100 Å²	100	74.1 Å²	74.1	54%	0.535	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-38.9	178.2	-74.1	-31	0	0	0	112.2	V368 W369 A375 K376	V368-N372 WeakPolarHBondContact O-CB 3.43Å; V368-N372 PolarHBondContact O-N 2.71Å; V368-N372 PolarHBondContact O-ND2 3.23Å; W369-N372 PolarHBondContact O-N 2.68Å; N372-A375 WeakPolarHBondContact O-CB 3.46Å; N372-A375 PolarHBondContact O-N 3.07Å; N372-K376 PolarHBondContact O-N 3.03Å
373	R	97.9	Very high	90.4	Very high	43 Å²	43	73.9 Å²	73.9	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-66	-43.2	176.9	-164.9	71.1	178.3	99.3	-14	111.3	E338 F341 W369 F370 A375 K376 W377	E338-R373 IonicContact OE1-CZ 3.17Å; E338-R373 IonicContact OE1-NE 3.44Å; E338-R373 PolarHBondContact OE1-NE 3.04Å; E338-R373 IonicContact OE1-NH2 2.95Å; E338-R373 PolarHBondContact OE1-NH2 3.29Å; F341-R373 HydrophobicContact CD1-CG 3.82Å; F341-R373 HydrophobicContact CD2-CB 3.95Å; F341-R373 HydrophobicContact CD2-CG 3.58Å; F341-R373 HydrophobicContact CE1-CG 3.7Å; F341-R373 HydrophobicContact CE2-CB 3.67Å; F341-R373 HydrophobicContact CE2-CG 3.45Å; F341-R373 VanDerWaalsContact CE2-CG 3.45Å; F341-R373 HydrophobicContact CG-CG 3.77Å; F341-R373 HydrophobicContact CZ-CB 4.11Å; F341-R373 HydrophobicContact CZ-CG 3.52Å; W369-R373 HydrophobicContact CE3-CB 4.05Å; W369-R373 HydrophobicContact CH2-CB 4.02Å; W369-R373 HydrophobicContact CH2-CG 3.66Å; W369-R373 HydrophobicContact CZ2-CB 4.5Å; W369-R373 HydrophobicContact CZ2-CG 4.27Å; W369-R373 HydrophobicContact CZ3-CB 3.78Å; W369-R373 HydrophobicContact CZ3-CG 3.85Å; W369-R373 WeakPolarHBondContact O-CB 3.46Å; W369-R373 PolarHBondContact O-N 3.28Å; F370-R373 PolarHBondContact O-N 2.78Å; R373-A375 VanDerWaalsContact C-N 3.32Å; R373-A375 PolarHBondContact O-N 3.38Å; R373-K376 PolarHBondContact O-N 3.29Å; R373-W377 WeakPolarHBondContact O-CB 3.36Å; R373-W377 PolarHBondContact O-N 2.72Å
374	R	97.5	Very high	88.5	Confident	41 Å²	41	79.6 Å²	79.6	16%	0.155	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-36.6	170.7	-74.5	-165.3	-63.4	-85.7	1.8	112.6	F341 H345 F370 Q371 W377 R378	F341-R374 HydrophobicContact CE2-CG 3.87Å; F341-R374 HydrophobicContact CZ-CG 4.37Å; H345-R374 HydrophobicContact CB-CG 4.42Å; H345-R374 VanDerWaalsContact O-CD 3.3Å; H345-R374 WeakPolarHBondContact O-CD 3Å; H345-R374 PolarHBondContact O-NH1 3.14Å; F370-R374 WeakPolarHBondContact O-CB 3.39Å; F370-R374 WeakPolarHBondContact O-CG 3.16Å; F370-R374 PolarHBondContact O-N 3.46Å; Q371-R374 PolarHBondContact O-N 2.88Å; R374-W377 PolarHBondContact O-N 2.93Å; R374-R378 PolarHBondContact O-N 3.34Å
375	A	94.3	Very high	86.3	Confident	29 Å²	29	84.1 Å²	84.1	24%	0.24	37%	0.374	C	S	.	.	H	α-helix	trans	-66.8	-41.1	175.6	0	0	0	0	0	112.4	Q371 N372 R373 K379	Q371-A375 WeakPolarHBondContact O-CB 3.37Å; Q371-A375 PolarHBondContact O-N 3.23Å; N372-A375 WeakPolarHBondContact O-CB 3.46Å; N372-A375 PolarHBondContact O-N 3.07Å; R373-A375 VanDerWaalsContact C-N 3.32Å; R373-A375 PolarHBondContact O-N 3.38Å; A375-K379 WeakPolarHBondContact O-CG 3.48Å; A375-K379 PolarHBondContact O-N 3.03Å
376	K	93.1	Very high	84.2	Confident	121 Å²	121	84.3 Å²	84.3	53%	0.526	40%	0.397	S	S	.	.	H	α-helix	trans	-63.7	-42.8	170.4	-74.1	-169.4	174.6	-167.5	0	111.8	N372 R373 K379 R380	N372-K376 PolarHBondContact O-N 3.03Å; R373-K376 PolarHBondContact O-N 3.29Å; K376-K379 PolarHBondContact O-N 3.01Å; K376-R380 PolarHBondContact O-N 3.24Å
377	W	92.7	Very high	81.8	Confident	92 Å²	92	91 Å²	91	35%	0.348	44%	0.441	S	S	.	.	H	α-helix	trans	-60.2	-52.2	179.1	174.9	79.3	0	0	0	112	F341 R373 R374 K379 R380 E381	F341-W377 HydrophobicContact CE1-CB 4.43Å; F341-W377 HydrophobicContact CZ-CB 4.03Å; F341-W377 HydrophobicContact CZ-CG 4.38Å; R373-W377 WeakPolarHBondContact O-CB 3.36Å; R373-W377 PolarHBondContact O-N 2.72Å; R374-W377 PolarHBondContact O-N 2.93Å; W377-K379 VanDerWaalsContact C-N 3.28Å; W377-K379 PolarHBondContact O-N 3.39Å; W377-R380 PolarHBondContact O-N 2.95Å; W377-E381 PolarHBondContact O-N 3.42Å
378	R	90.5	Very high	79.5	Confident	108 Å²	108	90.8 Å²	90.8	41%	0.408	46%	0.459	S	S	.	.	H	α-helix	trans	-58.2	-36.6	175.2	-77.8	-176.5	-73.1	98.7	-3.5	113.4	R374 R380 E381 H382	R374-R378 PolarHBondContact O-N 3.34Å; R378-R380 VanDerWaalsContact C-N 3.26Å; R378-R380 PolarHBondContact O-N 3.22Å; R378-E381 PolarHBondContact O-N 2.74Å; R378-H382 WeakPolarHBondContact O-CB 3.43Å; R378-H382 PolarHBondContact O-CD2 3.48Å; R378-H382 PolarHBondContact O-N 3.35Å; R378-H382 VanDerWaalsContact O-N 3.08Å
379	K	83.6	Confident	77.3	Confident	153 Å²	153	98.8 Å²	98.8	67%	0.665	48%	0.482	S	S	*	.	H	α-helix	trans	-63.7	-28.5	176.2	-80.2	179.5	176.8	-174.4	0	113.5	A375 K376 W377 T383	A375-K379 WeakPolarHBondContact O-CG 3.48Å; A375-K379 PolarHBondContact O-N 3.03Å; K376-K379 PolarHBondContact O-N 3.01Å; W377-K379 VanDerWaalsContact C-N 3.28Å; W377-K379 PolarHBondContact O-N 3.39Å; K379-T383 WeakPolarHBondContact O-CG2 3.35Å; K379-T383 PolarHBondContact O-OG1 2.71Å
380	R	80.1	Confident	75.1	Confident	143 Å²	143	101.3 Å²	101.3	54%	0.54	50%	0.502	S	S	.	.	H	α-helix	trans	-84.2	-33.1	178.1	-65.9	-171.5	-59.5	176.2	8.2	113	K376 W377 R378 T383	K376-R380 PolarHBondContact O-N 3.24Å; W377-R380 PolarHBondContact O-N 2.95Å; R378-R380 VanDerWaalsContact C-N 3.26Å; R378-R380 PolarHBondContact O-N 3.22Å; R380-T383 PolarHBondContact O-OG1 2.76Å; R380-T383 VanDerWaalsContact O-OG1 3.07Å
381	E	73.4	Confident	73	Confident	77 Å²	77	104.3 Å²	104.3	36%	0.36	53%	0.527	S	S	.	.	H	α-helix	trans	-76	-43.1	178.3	-172.1	59.8	-154.2	0	0	111.9	W377 R378 T383 R384 K385	W377-E381 PolarHBondContact O-N 3.42Å; R378-E381 PolarHBondContact O-N 2.74Å; E381-T383 VanDerWaalsContact C-N 3.27Å; E381-T383 PolarHBondContact O-N 3.09Å; E381-R384 PolarHBondContact O-N 2.75Å; E381-K385 IonicContact OE1-NZ 3.27Å; E381-K385 PolarHBondContact OE1-NZ 2.75Å
382	H	61.6	Low	70.9	Confident	134 Å²	134	108.8 Å²	108.8	62%	0.62	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.3	-176.7	-62.5	-51.2	0	0	0	114.9	R378	R378-H382 WeakPolarHBondContact O-CB 3.43Å; R378-H382 PolarHBondContact O-CD2 3.48Å; R378-H382 PolarHBondContact O-N 3.35Å; R378-H382 VanDerWaalsContact O-N 3.08Å
383	T	57.1	Low	68.9	Low	73 Å²	73	111.2 Å²	111.2	45%	0.448	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.1	-13.6	170.5	45.6	0	0	0	0	113.4	K379 R380 E381 A394	K379-T383 WeakPolarHBondContact O-CG2 3.35Å; K379-T383 PolarHBondContact O-OG1 2.71Å; R380-T383 PolarHBondContact O-OG1 2.76Å; R380-T383 VanDerWaalsContact O-OG1 3.07Å; E381-T383 VanDerWaalsContact C-N 3.27Å; E381-T383 PolarHBondContact O-N 3.09Å; T383-A394 HydrophobicContact CG2-CB 4.26Å
384	R	57.5	Low	66.9	Low	171 Å²	171	111.4 Å²	111.4	65%	0.645	57%	0.571	S	S	*	*	S	Bend	trans	-99.1	-8.7	-177.7	-68.8	-169.7	173.2	-164.3	-0.1	114.6	D286 E381	D286-R384 IonicContact OD2-NH2 3.47Å; D286-R384 PolarHBondContact OD2-NH2 2.84Å; E381-R384 PolarHBondContact O-N 2.75Å
385	K	51.9	Low	64.8	Low	154 Å²	154	115.1 Å²	115.1	67%	0.67	59%	0.591	S	S	*	*	S	Bend	trans	-139.9	97.4	-171.8	-68.3	170.1	-175.9	158.1	0	113.3	E381	E381-K385 IonicContact OE1-NZ 3.27Å; E381-K385 PolarHBondContact OE1-NZ 2.75Å
386	G	51.2	Low	62.9	Low	70 Å²	70	117.8 Å²	117.8	72%	0.722	60%	0.6	S	S	*	*			trans	113.5	133	160.1	0	0	0	0	0	116.1
387	P	47.5	Very low	61.2	Low	141 Å²	141	115.6 Å²	115.6	92%	0.916	59%	0.594	S	S	*	*	S	Bend	trans	-75.5	131.4	170.7	32.4	-32.4	0	0	0	109.8
388	G	49.2	Very low	59.6	Low	74 Å²	74	113.6 Å²	113.6	76%	0.763	59%	0.592	S	S	*	*	S	Bend	trans	179.7	-39.1	178	0	0	0	0	0	116
389	R	52.9	Low	58.2	Low	235 Å²	235	115.6 Å²	115.6	89%	0.887	62%	0.621	S	S	*	*			trans	-176.2	118.2	161.9	-113.1	170	-176.3	-118.1	-0.4	110.1	A391	R389-A391 PolarHBondContact O-N 2.78Å
390	P	51	Low	57.5	Low	78 Å²	78	112.3 Å²	112.3	51%	0.506	62%	0.617	S	S	.	*			trans	-57.2	136.4	160.7	-20.3	32.5	0	0	0	108.9	H392	P390-H392 PolarHBondContact O-N 3.34Å
391	A	54.6	Low	57	Low	65 Å²	65	107.7 Å²	107.7	54%	0.537	61%	0.614	S	S	.	*			trans	-58	132.8	156.6	0	0	0	0	0	106.8	R389 N393 A394	R389-A391 PolarHBondContact O-N 2.78Å; A391-N393 PolarHBondContact O-N 2.84Å; A391-A394 HydrophobicContact CB-CB 4.31Å; A391-A394 WeakPolarHBondContact O-CB 3.49Å; A391-A394 PolarHBondContact O-N 2.93Å
392	H	52.4	Low	56.9	Low	183 Å²	183	109.9 Å²	109.9	85%	0.847	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.9	-12.4	-171.4	176.6	-79.9	0	0	0	115.9	P390	P390-H392 PolarHBondContact O-N 3.34Å
393	N	57.1	Low	57.4	Low	150 Å²	150	109 Å²	109	80%	0.802	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	5.4	-178.1	-59.5	-3.3	0	0	0	114.1	A391	A391-N393 PolarHBondContact O-N 2.84Å
394	A	55.2	Low	58.1	Low	48 Å²	48	107 Å²	107	40%	0.397	62%	0.616	S	S	.	*	S	Bend	trans	-92.8	-33.9	-166.4	0	0	0	0	0	115.5	T383 A391	T383-A394 HydrophobicContact CG2-CB 4.26Å; A391-A394 HydrophobicContact CB-CB 4.31Å; A391-A394 WeakPolarHBondContact O-CB 3.49Å; A391-A394 PolarHBondContact O-N 2.93Å
395	Q	53.9	Low	59.2	Low	119 Å²	119	103 Å²	103	56%	0.556	61%	0.608	S	S	*	*	S	Bend	trans	-143.7	143.1	-179.6	-70.9	177.3	-28.7	0	0	110.2	L397	Q395-L397 VanDerWaalsContact C-N 3.29Å; Q395-L397 HydrophobicContact CB-CD1 3.42Å; Q395-L397 VanDerWaalsContact CB-CD1 3.42Å; Q395-L397 PolarHBondContact O-N 2.81Å
396	L	54.7	Low	60.6	Low	84 Å²	84	99.7 Å²	99.7	44%	0.44	60%	0.602	S	S	.	*			trans	-82.7	73.5	-179.2	-70.8	173.2	0	0	0	110.1	I404 L409	L396-I404 HydrophobicContact CB-CD1 4.03Å; L396-I404 WeakPolarHBondContact O-CD1 3.21Å; L396-I404 VanDerWaalsContact O-CG1 3.31Å; L396-I404 WeakPolarHBondContact O-CG1 3.19Å; L396-L409 HydrophobicContact CB-CD2 3.86Å; L396-L409 HydrophobicContact CD1-CD2 3.57Å; L396-L409 HydrophobicContact CG-CD2 4.28Å
397	L	56.8	Low	62.1	Low	76 Å²	76	101.7 Å²	101.7	40%	0.398	60%	0.597	S	S	.	*	B	Isolated β-bridge	trans	-98	150.7	169.9	-78.4	70.3	0	0	0	110	Q395	Q395-L397 VanDerWaalsContact C-N 3.29Å; Q395-L397 HydrophobicContact CB-CD1 3.42Å; Q395-L397 VanDerWaalsContact CB-CD1 3.42Å; Q395-L397 PolarHBondContact O-N 2.81Å
398	T	60.4	Low	63.7	Low	49 Å²	49	99 Å²	99	30%	0.301	57%	0.572	S	S	.	*			trans	-68.7	167.9	165.7	59.3	0	0	0	0	111.1	S400 G401 E402 I404	T398-S400 PolarHBondContact O-N 2.76Å; T398-S400 PolarHBondContact OG1-N 3.42Å; T398-S400 PolarHBondContact OG1-OG 2.86Å; T398-G401 PolarHBondContact O-N 3.5Å; T398-G401 VanDerWaalsContact O-N 3.08Å; T398-G401 PolarHBondContact OG1-N 2.8Å; T398-E402 PolarHBondContact N-O 3.13Å; T398-E402 VanDerWaalsContact N-O 3.12Å; T398-E402 PolarHBondContact OG1-N 2.88Å; T398-E402 PolarHBondContact OG1-O 2.78Å; T398-I404 HydrophobicContact CG2-CG1 3.74Å
399	C	60.8	Low	65.1	Low	151 Å²	151	98.2 Å²	98.2	100%	1.02	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.3	172	-62.8	0	0	0	0	113.5	G401	C399-G401 VanDerWaalsContact C-N 3.3Å
400	S	67.8	Low	66.5	Low	83 Å²	83	90.8 Å²	90.8	58%	0.58	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.5	172.7	43.7	0	0	0	0	113.2	T398 E402	T398-S400 PolarHBondContact O-N 2.76Å; T398-S400 PolarHBondContact OG1-N 3.42Å; T398-S400 PolarHBondContact OG1-OG 2.86Å; S400-E402 WeakPolarHBondContact CB-OE2 3.32Å; S400-E402 PolarHBondContact O-N 2.81Å; S400-E402 PolarHBondContact OG-OE2 2.6Å
401	G	70.5	Confident	68.1	Low	46 Å²	46	92.9 Å²	92.9	47%	0.474	53%	0.528	S	S	.	.	S	Bend	trans	80.5	-0.4	-174.6	0	0	0	0	0	113.9	T398 C399	T398-G401 PolarHBondContact O-N 3.5Å; T398-G401 VanDerWaalsContact O-N 3.08Å; T398-G401 PolarHBondContact OG1-N 2.8Å; C399-G401 VanDerWaalsContact C-N 3.3Å
402	E	71.7	Confident	69.3	Low	123 Å²	123	95.1 Å²	95.1	58%	0.575	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-73.8	149.2	174.6	-65	167.1	131.4	0	0	110.8	T398 S400 I404	T398-E402 PolarHBondContact N-O 3.13Å; T398-E402 VanDerWaalsContact N-O 3.12Å; T398-E402 PolarHBondContact OG1-N 2.88Å; T398-E402 PolarHBondContact OG1-O 2.78Å; S400-E402 WeakPolarHBondContact CB-OE2 3.32Å; S400-E402 PolarHBondContact O-N 2.81Å; S400-E402 PolarHBondContact OG-OE2 2.6Å; E402-I404 PolarHBondContact O-N 3.44Å
403	P	71.6	Confident	70.6	Confident	117 Å²	117	92.4 Å²	92.4	76%	0.76	51%	0.511	S	S	*	.	B	Isolated β-bridge	trans	-55.4	136.2	169.3	-21.7	33	0	0	0	110.6	D405	P403-D405 PolarHBondContact O-N 3.17Å
404	I	72.3	Confident	71.9	Confident	29 Å²	29	88 Å²	88	15%	0.149	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-68.8	133	171.4	-61.3	-179.8	0	0	0	108.4	L396 T398 E402 E408 L409	L396-I404 HydrophobicContact CB-CD1 4.03Å; L396-I404 WeakPolarHBondContact O-CD1 3.21Å; L396-I404 VanDerWaalsContact O-CG1 3.31Å; L396-I404 WeakPolarHBondContact O-CG1 3.19Å; T398-I404 HydrophobicContact CG2-CG1 3.74Å; E402-I404 PolarHBondContact O-N 3.44Å; I404-E408 HydrophobicContact CG2-CB 3.98Å; I404-E408 HydrophobicContact CG2-CG 4.12Å; I404-L409 HydrophobicContact CB-CD2 3.86Å; I404-L409 HydrophobicContact CB-CG 4.03Å; I404-L409 HydrophobicContact CD1-CD2 4.35Å; I404-L409 HydrophobicContact CG2-CD2 3.82Å; I404-L409 HydrophobicContact CG2-CG 3.82Å
405	D	80.5	Confident	73.4	Confident	87 Å²	87	89.2 Å²	89.2	47%	0.465	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-51.9	134.9	176.4	-178.3	-89.8	0	0	0	111.6	P403 N407 E408 L409	P403-D405 PolarHBondContact O-N 3.17Å; D405-N407 PolarHBondContact O-N 3.07Å; D405-N407 VanDerWaalsContact O-N 3.13Å; D405-N407 WeakPolarHBondContact OD1-CA 3.42Å; D405-N407 WeakPolarHBondContact OD1-CB 3.26Å; D405-N407 PolarHBondContact OD1-N 3.22Å; D405-N407 PolarHBondContact OD1-ND2 3.3Å; D405-E408 HydrophobicContact CB-CB 4.38Å; D405-E408 PolarHBondContact O-N 2.7Å; D405-L409 PolarHBondContact O-N 2.76Å
406	P	80.3	Confident	74.8	Confident	85 Å²	85	90.2 Å²	90.2	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-52.9	-34.7	-179.2	-29.3	36.4	0	0	0	114.5	L409 L410	P406-L409 WeakPolarHBondContact O-CB 3.42Å; P406-L409 PolarHBondContact O-N 3.41Å; P406-L410 WeakPolarHBondContact O-CG 3.41Å; P406-L410 PolarHBondContact O-N 3.33Å
407	N	83	Confident	76.3	Confident	113 Å²	113	92 Å²	92	60%	0.604	51%	0.508	S	S	*	.	H	α-helix	trans	-72.4	-35.9	178.6	-52	-79.8	0	0	0	111.8	D405 L410 K411	D405-N407 PolarHBondContact O-N 3.07Å; D405-N407 VanDerWaalsContact O-N 3.13Å; D405-N407 WeakPolarHBondContact OD1-CA 3.42Å; D405-N407 WeakPolarHBondContact OD1-CB 3.26Å; D405-N407 PolarHBondContact OD1-N 3.22Å; D405-N407 PolarHBondContact OD1-ND2 3.3Å; N407-L410 PolarHBondContact O-N 3.08Å; N407-K411 WeakPolarHBondContact O-CB 3.3Å; N407-K411 PolarHBondContact O-N 3.28Å
408	E	81.1	Confident	77.6	Confident	85 Å²	85	91 Å²	91	40%	0.397	50%	0.502	S	S	.	.	H	α-helix	trans	-72.8	-31	175	-172.2	62.2	-159.4	0	0	111.2	I404 D405 K411 R412	I404-E408 HydrophobicContact CG2-CB 3.98Å; I404-E408 HydrophobicContact CG2-CG 4.12Å; D405-E408 HydrophobicContact CB-CB 4.38Å; D405-E408 PolarHBondContact O-N 2.7Å; E408-K411 IonicContact OE1-NZ 2.83Å; E408-K411 WeakPolarHBondContact OE2-CD 3.43Å; E408-K411 IonicContact OE2-NZ 2.7Å; E408-K411 PolarHBondContact OE2-NZ 2.94Å; E408-R412 WeakPolarHBondContact O-CB 3.44Å; E408-R412 PolarHBondContact O-N 3.22Å
409	L	78.4	Confident	79	Confident	57 Å²	57	91 Å²	91	30%	0.298	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-53.6	167.3	-69.7	176.3	0	0	0	111.4	L396 I404 D405 P406 K411 R412 E413	L396-L409 HydrophobicContact CB-CD2 3.86Å; L396-L409 HydrophobicContact CD1-CD2 3.57Å; L396-L409 HydrophobicContact CG-CD2 4.28Å; I404-L409 HydrophobicContact CB-CD2 3.86Å; I404-L409 HydrophobicContact CB-CG 4.03Å; I404-L409 HydrophobicContact CD1-CD2 4.35Å; I404-L409 HydrophobicContact CG2-CD2 3.82Å; I404-L409 HydrophobicContact CG2-CG 3.82Å; D405-L409 PolarHBondContact O-N 2.76Å; P406-L409 WeakPolarHBondContact O-CB 3.42Å; P406-L409 PolarHBondContact O-N 3.41Å; L409-K411 PolarHBondContact O-N 2.97Å; L409-R412 PolarHBondContact O-N 3.28Å; L409-R412 VanDerWaalsContact O-N 3.16Å; L409-E413 PolarHBondContact O-N 3.37Å
410	L	82.7	Confident	80.3	Confident	78 Å²	78	90.2 Å²	90.2	41%	0.408	48%	0.482	S	S	.	.	H	α-helix	trans	-58	-45.8	177.7	-74.1	170.8	0	0	0	112	P406 N407 R412 E413 A414	P406-L410 WeakPolarHBondContact O-CG 3.41Å; P406-L410 PolarHBondContact O-N 3.33Å; N407-L410 PolarHBondContact O-N 3.08Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 3.31Å; L410-E413 PolarHBondContact O-N 3.01Å; L410-A414 WeakPolarHBondContact O-CB 3.3Å; L410-A414 PolarHBondContact O-N 3.47Å
411	K	83.6	Confident	81.1	Confident	123 Å²	123	92.6 Å²	92.6	54%	0.535	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-36.9	176.8	178.6	175.1	156.5	-146.3	0	112.7	N407 E408 L409 S415	N407-K411 WeakPolarHBondContact O-CB 3.3Å; N407-K411 PolarHBondContact O-N 3.28Å; E408-K411 IonicContact OE1-NZ 2.83Å; E408-K411 WeakPolarHBondContact OE2-CD 3.43Å; E408-K411 IonicContact OE2-NZ 2.7Å; E408-K411 PolarHBondContact OE2-NZ 2.94Å; L409-K411 PolarHBondContact O-N 2.97Å; K411-S415 VanDerWaalsContact O-CB 3.29Å; K411-S415 WeakPolarHBondContact O-CB 3.27Å; K411-S415 PolarHBondContact O-N 3.39Å; K411-S415 PolarHBondContact O-OG 2.86Å
412	R	80.2	Confident	81.9	Confident	112 Å²	112	98.1 Å²	98.1	42%	0.423	49%	0.485	S	S	.	.	H	α-helix	trans	-74.3	-32.6	176.8	-179	167.6	163.1	101.3	-14.8	112.2	E408 L409 L410 R416	E408-R412 WeakPolarHBondContact O-CB 3.44Å; E408-R412 PolarHBondContact O-N 3.22Å; L409-R412 PolarHBondContact O-N 3.28Å; L409-R412 VanDerWaalsContact O-N 3.16Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 3.31Å; R412-R416 VanDerWaalsContact O-CG 3.31Å; R412-R416 WeakPolarHBondContact O-CG 3.4Å; R412-R416 PolarHBondContact O-N 3.22Å; R412-R416 VanDerWaalsContact O-N 3.13Å
413	E	80.9	Confident	82.9	Confident	126 Å²	126	99.3 Å²	99.3	59%	0.589	49%	0.488	S	S	*	.	H	α-helix	trans	-70.5	-48.3	170.5	-178.7	156.2	-148.1	0	0	111.9	L409 L410 S415 R416 L417	L409-E413 PolarHBondContact O-N 3.37Å; L410-E413 PolarHBondContact O-N 3.01Å; E413-S415 VanDerWaalsContact C-N 3.29Å; E413-S415 PolarHBondContact O-N 3.07Å; E413-R416 CarbonylContact O-C 3.52Å; E413-R416 WeakPolarHBondContact O-CA 3.49Å; E413-R416 WeakPolarHBondContact O-CB 3.48Å; E413-R416 PolarHBondContact O-N 3.4Å; E413-L417 PolarHBondContact O-N 3.08Å
414	A	83.8	Confident	83.6	Confident	57 Å²	57	98.7 Å²	98.7	47%	0.471	48%	0.476	S	S	.	.	H	α-helix	trans	-55.8	-43.3	173.5	0	0	0	0	0	111.8	L410 R416 L417 E418	L410-A414 WeakPolarHBondContact O-CB 3.3Å; L410-A414 PolarHBondContact O-N 3.47Å; A414-R416 VanDerWaalsContact C-N 3.33Å; A414-R416 PolarHBondContact O-N 3.06Å; A414-L417 PolarHBondContact O-N 3.26Å; A414-E418 WeakPolarHBondContact O-CB 3.45Å; A414-E418 PolarHBondContact O-N 3.45Å
415	S	85.9	Confident	84.3	Confident	74 Å²	74	100.8 Å²	100.8	52%	0.517	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-37.3	174.2	-62.8	0	0	0	0	112.7	K411 E413 A419	K411-S415 VanDerWaalsContact O-CB 3.29Å; K411-S415 WeakPolarHBondContact O-CB 3.27Å; K411-S415 PolarHBondContact O-N 3.39Å; K411-S415 PolarHBondContact O-OG 2.86Å; E413-S415 VanDerWaalsContact C-N 3.29Å; E413-S415 PolarHBondContact O-N 3.07Å; S415-A419 VanDerWaalsContact O-CB 3.28Å; S415-A419 WeakPolarHBondContact O-CB 3.49Å; S415-A419 PolarHBondContact O-N 3.46Å
416	R	84.7	Confident	84.7	Confident	139 Å²	139	102 Å²	102	53%	0.525	49%	0.493	S	S	.	.	H	α-helix	trans	-70.1	-40.5	174.9	-80.1	168.7	156.7	163.8	-9.3	112	R412 E413 A414 A419 R420	R412-R416 VanDerWaalsContact O-CG 3.31Å; R412-R416 WeakPolarHBondContact O-CG 3.4Å; R412-R416 PolarHBondContact O-N 3.22Å; R412-R416 VanDerWaalsContact O-N 3.13Å; E413-R416 CarbonylContact O-C 3.52Å; E413-R416 WeakPolarHBondContact O-CA 3.49Å; E413-R416 WeakPolarHBondContact O-CB 3.48Å; E413-R416 PolarHBondContact O-N 3.4Å; A414-R416 VanDerWaalsContact C-N 3.33Å; A414-R416 PolarHBondContact O-N 3.06Å; R416-A419 PolarHBondContact O-N 3.46Å; R416-R420 WeakPolarHBondContact O-CG 3.34Å; R416-R420 PolarHBondContact O-N 3.13Å
417	L	85.2	Confident	85.1	Confident	121 Å²	121	104.7 Å²	104.7	63%	0.634	50%	0.496	S	S	*	.	H	α-helix	trans	-64.4	-47.6	177.3	-163.5	82.4	0	0	0	110.8	E413 A414 A419 R420 R421	E413-L417 PolarHBondContact O-N 3.08Å; A414-L417 PolarHBondContact O-N 3.26Å; L417-A419 VanDerWaalsContact C-N 3.35Å; L417-A419 PolarHBondContact O-N 2.96Å; L417-R420 WeakPolarHBondContact O-CB 3.44Å; L417-R420 PolarHBondContact O-N 2.88Å; L417-R420 VanDerWaalsContact O-N 3.17Å; L417-R421 WeakPolarHBondContact O-CB 3.43Å; L417-R421 PolarHBondContact O-N 3.31Å
418	E	85.2	Confident	85.3	Confident	57 Å²	57	107 Å²	107	27%	0.266	50%	0.497	S	S	.	.	H	α-helix	trans	-63.7	-38.7	176.1	174	58.1	-171	0	0	111.6	A414 R420 R421 R422	A414-E418 WeakPolarHBondContact O-CB 3.45Å; A414-E418 PolarHBondContact O-N 3.45Å; E418-R420 PolarHBondContact O-N 3.4Å; E418-R421 PolarHBondContact O-N 2.86Å; E418-R421 IonicContact OE1-NH2 3.62Å; E418-R421 PolarHBondContact OE1-NH2 3.35Å; E418-R421 VanDerWaalsContact OE1-NH2 3.17Å; E418-R421 IonicContact OE2-CZ 2.93Å; E418-R421 VanDerWaalsContact OE2-CZ 3.27Å; E418-R421 IonicContact OE2-NE 3.22Å; E418-R421 PolarHBondContact OE2-NE 3.04Å; E418-R421 IonicContact OE2-NH2 2.6Å; E418-R421 PolarHBondContact OE2-NH2 3.29Å; E418-R422 WeakPolarHBondContact O-CB 3.39Å; E418-R422 WeakPolarHBondContact O-CG 3.23Å; E418-R422 PolarHBondContact O-N 2.99Å; E418-R422 IonicContact OE1-CZ 3.89Å; E418-R422 IonicContact OE1-NE 3.29Å; E418-R422 PolarHBondContact OE1-NE 2.88Å; E418-R422 IonicContact OE1-NH2 2.78Å; E418-R422 PolarHBondContact OE1-NH2 2.73Å
419	A	88	Confident	85.6	Confident	47 Å²	47	106.9 Å²	106.9	39%	0.388	50%	0.498	S	S	.	.	H	α-helix	trans	-63.4	-38.9	172.9	0	0	0	0	0	112.8	S415 R416 L417 K423	S415-A419 VanDerWaalsContact O-CB 3.28Å; S415-A419 WeakPolarHBondContact O-CB 3.49Å; S415-A419 PolarHBondContact O-N 3.46Å; R416-A419 PolarHBondContact O-N 3.46Å; L417-A419 VanDerWaalsContact C-N 3.35Å; L417-A419 PolarHBondContact O-N 2.96Å; A419-K423 WeakPolarHBondContact O-CG 3.48Å; A419-K423 PolarHBondContact O-N 3.28Å
420	R	88.9	Confident	85.9	Confident	135 Å²	135	109.1 Å²	109.1	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-64.1	-43.5	171.4	-77.1	175.7	167.6	174.6	-5.1	111.1	R416 L417 E418 K423 M424	R416-R420 WeakPolarHBondContact O-CG 3.34Å; R416-R420 PolarHBondContact O-N 3.13Å; L417-R420 WeakPolarHBondContact O-CB 3.44Å; L417-R420 PolarHBondContact O-N 2.88Å; L417-R420 VanDerWaalsContact O-N 3.17Å; E418-R420 PolarHBondContact O-N 3.4Å; R420-K423 PolarHBondContact O-N 2.76Å; R420-M424 PolarHBondContact O-N 3.31Å
421	R	84.4	Confident	86	Confident	134 Å²	134	107.7 Å²	107.7	51%	0.506	50%	0.503	S	S	.	.	H	α-helix	trans	-62	-47.4	178.4	-160.7	-175.5	69.4	95.1	6.1	111.7	L417 E418 K423 M424 V425	L417-R421 WeakPolarHBondContact O-CB 3.43Å; L417-R421 PolarHBondContact O-N 3.31Å; E418-R421 PolarHBondContact O-N 2.86Å; E418-R421 IonicContact OE1-NH2 3.62Å; E418-R421 PolarHBondContact OE1-NH2 3.35Å; E418-R421 VanDerWaalsContact OE1-NH2 3.17Å; E418-R421 IonicContact OE2-CZ 2.93Å; E418-R421 VanDerWaalsContact OE2-CZ 3.27Å; E418-R421 IonicContact OE2-NE 3.22Å; E418-R421 PolarHBondContact OE2-NE 3.04Å; E418-R421 IonicContact OE2-NH2 2.6Å; E418-R421 PolarHBondContact OE2-NH2 3.29Å; R421-K423 PolarHBondContact O-N 3.41Å; R421-M424 PolarHBondContact O-N 3.44Å; R421-M424 VanDerWaalsContact O-N 3.16Å; R421-V425 WeakPolarHBondContact O-CG2 3.27Å; R421-V425 PolarHBondContact O-N 2.73Å
422	R	88.1	Confident	86	Confident	161 Å²	161	106.3 Å²	106.3	61%	0.608	50%	0.501	S	S	*	.	H	α-helix	trans	-56.4	-47.3	174.4	-73.3	178	-173.5	-167	3.1	112	E418 M424 V425 E426	E418-R422 WeakPolarHBondContact O-CB 3.39Å; E418-R422 WeakPolarHBondContact O-CG 3.23Å; E418-R422 PolarHBondContact O-N 2.99Å; E418-R422 IonicContact OE1-CZ 3.89Å; E418-R422 IonicContact OE1-NE 3.29Å; E418-R422 PolarHBondContact OE1-NE 2.88Å; E418-R422 IonicContact OE1-NH2 2.78Å; E418-R422 PolarHBondContact OE1-NH2 2.73Å; R422-M424 VanDerWaalsContact C-N 3.33Å; R422-M424 PolarHBondContact O-N 3.14Å; R422-V425 PolarHBondContact O-N 3.18Å; R422-E426 WeakPolarHBondContact O-CB 3.43Å; R422-E426 PolarHBondContact O-N 3.48Å
423	K	91.1	Very high	86.2	Confident	149 Å²	149	107.5 Å²	107.5	65%	0.648	51%	0.509	S	S	*	.	H	α-helix	trans	-60.3	-38.3	176.2	-75	179.2	177.8	-175.5	0	112.9	A419 R420 R421 K427	A419-K423 WeakPolarHBondContact O-CG 3.48Å; A419-K423 PolarHBondContact O-N 3.28Å; R420-K423 PolarHBondContact O-N 2.76Å; R421-K423 PolarHBondContact O-N 3.41Å; K423-K427 WeakPolarHBondContact O-CB 3.33Å; K423-K427 WeakPolarHBondContact O-CG 3.28Å; K423-K427 PolarHBondContact O-N 2.81Å
424	M	87.2	Confident	86.2	Confident	104 Å²	104	108.8 Å²	108.8	51%	0.512	51%	0.513	S	S	.	.	H	α-helix	trans	-67.6	-44.4	175.4	-74.8	-168.9	-74.8	0	0	112.4	R420 R421 R422 E426 K427 R428	R420-M424 PolarHBondContact O-N 3.31Å; R421-M424 PolarHBondContact O-N 3.44Å; R421-M424 VanDerWaalsContact O-N 3.16Å; R422-M424 VanDerWaalsContact C-N 3.33Å; R422-M424 PolarHBondContact O-N 3.14Å; M424-E426 VanDerWaalsContact C-N 3.34Å; M424-K427 PolarHBondContact O-N 2.79Å; M424-R428 WeakPolarHBondContact O-CB 3.47Å; M424-R428 PolarHBondContact O-N 3.37Å
425	V	87.9	Confident	85.9	Confident	72 Å²	72	112.1 Å²	112.1	44%	0.436	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-43.8	175.4	172.9	0	0	0	0	110.7	R421 R422 R428 I429	R421-V425 WeakPolarHBondContact O-CG2 3.27Å; R421-V425 PolarHBondContact O-N 2.73Å; R422-V425 PolarHBondContact O-N 3.18Å; V425-R428 WeakPolarHBondContact O-CB 3.37Å; V425-R428 PolarHBondContact O-N 2.82Å; V425-I429 HydrophobicContact CG1-CD1 3.84Å; V425-I429 HydrophobicContact CG1-CG1 4.45Å; V425-I429 WeakPolarHBondContact O-CG1 3.33Å; V425-I429 PolarHBondContact O-N 3.05Å
426	E	88	Confident	85.2	Confident	112 Å²	112	114.2 Å²	114.2	52%	0.523	52%	0.518	S	S	.	.	H	α-helix	trans	-66	-45.9	178.7	-174.5	168.1	-168.3	0	0	112.4	R422 M424 R428 I429 Q430	R422-E426 WeakPolarHBondContact O-CB 3.43Å; R422-E426 PolarHBondContact O-N 3.48Å; M424-E426 VanDerWaalsContact C-N 3.34Å; E426-R428 PolarHBondContact O-N 3.38Å; E426-I429 PolarHBondContact O-N 2.88Å; E426-Q430 HydrophobicContact CG-CG 4.46Å; E426-Q430 WeakPolarHBondContact O-CG 3.42Å; E426-Q430 PolarHBondContact O-N 3.1Å
427	K	88.7	Confident	84.5	Confident	143 Å²	143	111.3 Å²	111.3	62%	0.622	52%	0.516	S	S	*	.	H	α-helix	trans	-54.3	-40.3	170.7	-81.3	-169.7	174.1	-167.3	0	111.3	K423 M424 S431	K423-K427 WeakPolarHBondContact O-CB 3.33Å; K423-K427 WeakPolarHBondContact O-CG 3.28Å; K423-K427 PolarHBondContact O-N 2.81Å; M424-K427 PolarHBondContact O-N 2.79Å; K427-S431 WeakPolarHBondContact O-CB 3.38Å; K427-S431 PolarHBondContact O-N 2.79Å
428	R	86.6	Confident	83.5	Confident	162 Å²	162	109.2 Å²	109.2	61%	0.611	51%	0.508	S	S	*	.	H	α-helix	trans	-67.4	-44	177.7	-172.7	60.9	172.6	-167.3	-2.4	112.3	M424 V425 E426 S431 L432	M424-R428 WeakPolarHBondContact O-CB 3.47Å; M424-R428 PolarHBondContact O-N 3.37Å; V425-R428 WeakPolarHBondContact O-CB 3.37Å; V425-R428 PolarHBondContact O-N 2.82Å; E426-R428 PolarHBondContact O-N 3.38Å; R428-S431 PolarHBondContact O-N 2.85Å; R428-L432 HydrophobicContact CG-CD1 4.42Å; R428-L432 WeakPolarHBondContact O-CG 3.49Å; R428-L432 PolarHBondContact O-N 2.87Å
429	I	87.1	Confident	82.3	Confident	82 Å²	82	110.8 Å²	110.8	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-43.2	175.5	-69.3	168.3	0	0	0	110.7	V425 E426 S431 L432 K433	V425-I429 HydrophobicContact CG1-CD1 3.84Å; V425-I429 HydrophobicContact CG1-CG1 4.45Å; V425-I429 WeakPolarHBondContact O-CG1 3.33Å; V425-I429 PolarHBondContact O-N 3.05Å; E426-I429 PolarHBondContact O-N 2.88Å; I429-S431 PolarHBondContact O-N 2.9Å; I429-L432 PolarHBondContact O-N 3.12Å; I429-K433 HydrophobicContact CG2-CD 4.3Å; I429-K433 WeakPolarHBondContact O-CG 3.36Å; I429-K433 PolarHBondContact O-N 3.44Å
430	Q	86.3	Confident	80.8	Confident	103 Å²	103	116.8 Å²	116.8	48%	0.481	53%	0.53	S	S	.	.	H	α-helix	trans	-62.7	-41.5	176.1	-69.7	179.9	15.4	0	0	111.9	E426 K433 K434	E426-Q430 HydrophobicContact CG-CG 4.46Å; E426-Q430 WeakPolarHBondContact O-CG 3.42Å; E426-Q430 PolarHBondContact O-N 3.1Å; Q430-K433 PolarHBondContact O-N 3.23Å; Q430-K434 WeakPolarHBondContact O-CG 3.41Å; Q430-K434 PolarHBondContact O-N 2.93Å
431	S	84.7	Confident	79.3	Confident	49 Å²	49	116.5 Å²	116.5	34%	0.343	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-43.5	173.7	-175.5	0	0	0	0	112.3	K427 R428 I429 K434 K435	K427-S431 WeakPolarHBondContact O-CB 3.38Å; K427-S431 PolarHBondContact O-N 2.79Å; R428-S431 PolarHBondContact O-N 2.85Å; I429-S431 PolarHBondContact O-N 2.9Å; S431-K434 PolarHBondContact O-N 3.43Å; S431-K435 WeakPolarHBondContact O-CG 3.08Å; S431-K435 PolarHBondContact O-N 3.36Å
432	L	83.2	Confident	77.9	Confident	94 Å²	94	114.6 Å²	114.6	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-40.6	176.3	-69.8	171.7	0	0	0	112.2	R428 I429 K435 Q436	R428-L432 HydrophobicContact CG-CD1 4.42Å; R428-L432 WeakPolarHBondContact O-CG 3.49Å; R428-L432 PolarHBondContact O-N 2.87Å; I429-L432 PolarHBondContact O-N 3.12Å; L432-K435 PolarHBondContact O-N 3.25Å; L432-Q436 PolarHBondContact O-N 3.45Å
433	K	83.7	Confident	76.1	Confident	136 Å²	136	112.7 Å²	112.7	59%	0.591	53%	0.532	S	S	*	.	H	α-helix	trans	-59.4	-47.6	173.1	-75.6	-179.4	177.8	-177	0	111.5	I429 Q430 K435 Q436 T437	I429-K433 HydrophobicContact CG2-CD 4.3Å; I429-K433 WeakPolarHBondContact O-CG 3.36Å; I429-K433 PolarHBondContact O-N 3.44Å; Q430-K433 PolarHBondContact O-N 3.23Å; K433-K435 VanDerWaalsContact C-N 3.33Å; K433-K435 PolarHBondContact O-N 2.96Å; K433-Q436 PolarHBondContact O-N 3.46Å; K433-Q436 VanDerWaalsContact O-N 3.15Å; K433-T437 PolarHBondContact O-N 3.15Å; K433-T437 PolarHBondContact O-OG1 2.75Å
434	K	80.5	Confident	74.3	Confident	153 Å²	153	109.8 Å²	109.8	67%	0.665	53%	0.527	S	S	*	.	H	α-helix	trans	-57.8	-41.5	175.2	-75.3	-175	175.7	-170.9	0	112.4	Q430 S431 T437 V438	Q430-K434 WeakPolarHBondContact O-CG 3.41Å; Q430-K434 PolarHBondContact O-N 2.93Å; S431-K434 PolarHBondContact O-N 3.43Å; K434-T437 PolarHBondContact O-N 3.44Å; K434-T437 PolarHBondContact O-OG1 3.39Å; K434-V438 WeakPolarHBondContact O-CG2 3.44Å; K434-V438 PolarHBondContact O-N 3.26Å
435	K	77.8	Confident	72.6	Confident	128 Å²	128	107.9 Å²	107.9	56%	0.557	52%	0.524	S	S	*	.	H	α-helix	trans	-66	-40	175.5	-70.7	-176.3	179.8	-163.2	0	112.3	S431 L432 K433 V438 I439	S431-K435 WeakPolarHBondContact O-CG 3.08Å; S431-K435 PolarHBondContact O-N 3.36Å; L432-K435 PolarHBondContact O-N 3.25Å; K433-K435 VanDerWaalsContact C-N 3.33Å; K433-K435 PolarHBondContact O-N 2.96Å; K435-V438 PolarHBondContact O-N 2.79Å; K435-I439 WeakPolarHBondContact O-CG1 3.22Å; K435-I439 PolarHBondContact O-N 3.2Å; K435-I439 VanDerWaalsContact O-N 3.11Å
436	Q	72.9	Confident	70.7	Confident	117 Å²	117	112 Å²	112	55%	0.547	54%	0.536	S	S	.	.	H	α-helix	trans	-69.6	-31.8	178.6	-162.7	174.6	49.3	0	0	112.9	L432 K433 R440	L432-Q436 PolarHBondContact O-N 3.45Å; K433-Q436 PolarHBondContact O-N 3.46Å; K433-Q436 VanDerWaalsContact O-N 3.15Å; Q436-R440 WeakPolarHBondContact O-CG 3.15Å; Q436-R440 PolarHBondContact O-N 2.97Å
437	T	69.4	Low	68.9	Low	79 Å²	79	113.1 Å²	113.1	49%	0.485	55%	0.545	S	S	.	.	H	α-helix	trans	-68.1	-40.8	173.8	50.8	0	0	0	0	112.5	K433 K434 I439 R440 Q441	K433-T437 PolarHBondContact O-N 3.15Å; K433-T437 PolarHBondContact O-OG1 2.75Å; K434-T437 PolarHBondContact O-N 3.44Å; K434-T437 PolarHBondContact O-OG1 3.39Å; T437-I439 PolarHBondContact O-N 3.25Å; T437-R440 PolarHBondContact O-N 3.11Å; T437-Q441 WeakPolarHBondContact O-CG 3.35Å; T437-Q441 PolarHBondContact O-N 2.82Å
438	V	63.5	Low	67	Low	76 Å²	76	111.6 Å²	111.6	46%	0.461	55%	0.547	S	S	.	.	H	α-helix	trans	-61.9	-43.6	174.2	173.9	0	0	0	0	111	K434 K435 R440 Q441 N442	K434-V438 WeakPolarHBondContact O-CG2 3.44Å; K434-V438 PolarHBondContact O-N 3.26Å; K435-V438 PolarHBondContact O-N 2.79Å; V438-R440 PolarHBondContact O-N 2.9Å; V438-Q441 PolarHBondContact O-N 3.26Å; V438-N442 PolarHBondContact O-N 3.42Å; V438-N442 VanDerWaalsContact O-N 3.13Å; V438-N442 PolarHBondContact O-ND2 2.96Å
439	I	60.9	Low	65.2	Low	91 Å²	91	108.7 Å²	108.7	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-61.8	-43	175.9	-69.4	166.7	0	0	0	111.2	K435 T437 N442 H443	K435-I439 WeakPolarHBondContact O-CG1 3.22Å; K435-I439 PolarHBondContact O-N 3.2Å; K435-I439 VanDerWaalsContact O-N 3.11Å; T437-I439 PolarHBondContact O-N 3.25Å; I439-N442 PolarHBondContact O-N 2.83Å; I439-H443 PolarHBondContact O-CD2 3.18Å; I439-H443 PolarHBondContact O-N 2.87Å; I439-H443 VanDerWaalsContact O-N 3.07Å
440	R	56.2	Low	63.2	Low	173 Å²	173	109.7 Å²	109.7	65%	0.653	57%	0.566	S	S	*	*	H	α-helix	trans	-61.6	-44.3	176.8	-78.2	-175.1	178.4	-153.9	0.3	112.5	Q436 T437 V438 N442 H443 T444	Q436-R440 WeakPolarHBondContact O-CG 3.15Å; Q436-R440 PolarHBondContact O-N 2.97Å; T437-R440 PolarHBondContact O-N 3.11Å; V438-R440 PolarHBondContact O-N 2.9Å; R440-N442 VanDerWaalsContact C-N 3.29Å; R440-N442 PolarHBondContact O-N 2.96Å; R440-H443 PolarHBondContact O-N 3.21Å; R440-T444 PolarHBondContact O-N 3.28Å; R440-T444 PolarHBondContact O-OG1 3.08Å
441	Q	57.3	Low	61.1	Low	128 Å²	128	115.6 Å²	115.6	60%	0.598	58%	0.584	S	S	*	*	H	α-helix	trans	-58.6	-41.4	176.8	-74.6	173	-28.6	0	0	111.8	T437 V438 H443 T444 S445	T437-Q441 WeakPolarHBondContact O-CG 3.35Å; T437-Q441 PolarHBondContact O-N 2.82Å; V438-Q441 PolarHBondContact O-N 3.26Å; Q441-H443 PolarHBondContact O-N 3.02Å; Q441-T444 WeakPolarHBondContact CA-OG1 3.39Å; Q441-T444 PolarHBondContact O-N 3.2Å; Q441-T444 PolarHBondContact O-OG1 2.88Å; Q441-S445 PolarHBondContact O-N 3.35Å; Q441-S445 PolarHBondContact O-OG 3.07Å
442	N	54	Low	58.8	Low	95 Å²	95	119 Å²	119	51%	0.508	60%	0.603	S	S	.	*	H	α-helix	trans	-71	-27	178.3	-70.1	-16.4	0	0	0	114.3	V438 I439 R440 S445	V438-N442 PolarHBondContact O-N 3.42Å; V438-N442 VanDerWaalsContact O-N 3.13Å; V438-N442 PolarHBondContact O-ND2 2.96Å; I439-N442 PolarHBondContact O-N 2.83Å; R440-N442 VanDerWaalsContact C-N 3.29Å; R440-N442 PolarHBondContact O-N 2.96Å; N442-S445 PolarHBondContact O-OG 2.8Å
443	H	51.8	Low	56.6	Low	121 Å²	121	120.7 Å²	120.7	56%	0.56	62%	0.617	S	S	*	*	H	α-helix	trans	-80	-33.4	171.1	-73.3	-66.7	0	0	0	112.4	I439 R440 Q441 L447	I439-H443 PolarHBondContact O-CD2 3.18Å; I439-H443 PolarHBondContact O-N 2.87Å; I439-H443 VanDerWaalsContact O-N 3.07Å; R440-H443 PolarHBondContact O-N 3.21Å; Q441-H443 PolarHBondContact O-N 3.02Å; H443-L447 PolarHBondContact O-N 3.45Å
444	T	53.7	Low	54.6	Low	88 Å²	88	123.9 Å²	123.9	54%	0.54	63%	0.634	S	S	.	*	H	α-helix	trans	-68.7	-39.9	175.5	46.9	0	0	0	0	112.6	R440 Q441 L447 V448	R440-T444 PolarHBondContact O-N 3.28Å; R440-T444 PolarHBondContact O-OG1 3.08Å; Q441-T444 WeakPolarHBondContact CA-OG1 3.39Å; Q441-T444 PolarHBondContact O-N 3.2Å; Q441-T444 PolarHBondContact O-OG1 2.88Å; T444-L447 PolarHBondContact O-N 3.17Å; T444-V448 WeakPolarHBondContact O-CG2 3.49Å; T444-V448 PolarHBondContact O-N 2.83Å; T444-V448 VanDerWaalsContact O-N 3.15Å
445	S	49.9	Very low	52.7	Low	63 Å²	63	126.3 Å²	126.3	44%	0.441	64%	0.644	S	S	.	*	H	α-helix	trans	-65.1	-40.3	177.3	54.4	0	0	0	0	112.4	Q441 N442 L447 V448 S449	Q441-S445 PolarHBondContact O-N 3.35Å; Q441-S445 PolarHBondContact O-OG 3.07Å; N442-S445 PolarHBondContact O-OG 2.8Å; S445-L447 PolarHBondContact O-N 3.41Å; S445-V448 PolarHBondContact O-N 2.82Å; S445-S449 PolarHBondContact O-N 3.36Å
446	K	49.4	Very low	50.6	Low	160 Å²	160	128 Å²	128	70%	0.696	66%	0.659	S	S	*	*	H	α-helix	trans	-67.5	-28.8	175.4	-74.8	-173.6	176.2	-176.1	0	114.2	S450	K446-S450 PolarHBondContact O-OG 2.97Å
447	L	48.4	Very low	48.9	Very low	135 Å²	135	127.4 Å²	127.4	71%	0.707	67%	0.666	S	S	*	*	H	α-helix	trans	-81.8	-23.5	176.6	-77.1	167.1	0	0	0	113.6	H443 T444 S445	H443-L447 PolarHBondContact O-N 3.45Å; T444-L447 PolarHBondContact O-N 3.17Å; S445-L447 PolarHBondContact O-N 3.41Å
448	V	49.9	Very low	47.6	Very low	110 Å²	110	133.5 Å²	133.5	67%	0.667	69%	0.686	S	S	*	*	H	α-helix	trans	-80.8	-36.1	177	173	0	0	0	0	111.8	T444 S445 S450	T444-V448 WeakPolarHBondContact O-CG2 3.49Å; T444-V448 PolarHBondContact O-N 2.83Å; T444-V448 VanDerWaalsContact O-N 3.15Å; S445-V448 PolarHBondContact O-N 2.82Å; V448-S450 PolarHBondContact O-N 3.27Å
449	S	48	Very low	46.4	Very low	101 Å²	101	135 Å²	135	71%	0.706	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-7.9	178.4	-86.6	0	0	0	0	115.9	S445	S445-S449 PolarHBondContact O-N 3.36Å
450	S	46.6	Very low	45.1	Very low	103 Å²	103	138.2 Å²	138.2	72%	0.72	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	17.8	-175.4	-57.6	0	0	0	0	114.6	K446 V448	K446-S450 PolarHBondContact O-OG 2.97Å; V448-S450 PolarHBondContact O-N 3.27Å
451	R	41.8	Very low	44	Very low	228 Å²	228	135.9 Å²	135.9	86%	0.86	72%	0.718	S	S	*	*			trans	-121.3	18.2	-172.7	-113.6	-179.7	-175.7	-165.6	0.7	116.2
452	T	36.8	Very low	42.8	Very low	121 Å²	121	137.6 Å²	137.6	74%	0.742	72%	0.724	S	S	*	*			trans	-109.1	31.7	-170.4	49.2	0	0	0	0	115.8
453	T	36.2	Very low	41.8	Very low	128 Å²	128	139.9 Å²	139.9	79%	0.785	73%	0.731	S	S	*	*			trans	-150.2	92.6	167.5	42.7	0	0	0	0	113.5
454	Q	41.5	Very low	41	Very low	203 Å²	203	141 Å²	141	95%	0.949	74%	0.737	S	S	*	*			trans	-176.4	133.8	135.4	-102.6	167.7	21.8	0	0	111.3
455	K	39.8	Very low	40.2	Very low	204 Å²	204	142.5 Å²	142.5	89%	0.887	74%	0.741	S	S	*	*			trans	-98.5	123.4	-178.6	-63.6	171.9	176.9	175.9	0	110.3
456	N	35.4	Very low	39.5	Very low	163 Å²	163	145.9 Å²	145.9	87%	0.872	75%	0.754	S	S	*	*			trans	-177.4	128.6	133.6	-111.3	-22.7	0	0	0	112.9
457	P	36	Very low	38.7	Very low	106 Å²	106	143.6 Å²	143.6	69%	0.688	76%	0.757	S	S	*	*			trans	-109.2	176.8	167.3	38.8	-30.6	0	0	0	113.2
458	K	41.9	Very low	37.9	Very low	206 Å²	206	145 Å²	145	90%	0.896	76%	0.76	S	S	*	*			trans	89.3	133.3	-167.4	-54.2	158.6	-175.8	-179.8	0	111.2
459	S	39.1	Very low	37	Very low	109 Å²	109	146 Å²	146	76%	0.762	76%	0.762	S	S	*	*			cis	-174.7	161.8	-5.8	42.5	0	0	0	0	107.4
460	L	34.5	Very low	36.2	Very low	158 Å²	158	146.4 Å²	146.4	83%	0.827	76%	0.764	S	S	*	*			cis	-155.4	174.2	9.8	-153.1	73.9	0	0	0	111.5
461	N	33	Very low	35.6	Very low	124 Å²	124	148 Å²	148	66%	0.663	77%	0.77	S	S	*	*			trans	-41.3	166.6	156.1	-67.7	-7.9	0	0	0	116.6
462	F	31.6	Very low	35	Very low	164 Å²	164	144.8 Å²	144.8	72%	0.719	77%	0.768	S	S	*	*			cis	-165.8	155.9	-10.3	-121.6	-57.6	0	0	0	109.7
463	Q	33.6	Very low	34.7	Very low	142 Å²	142	146.3 Å²	146.3	66%	0.664	77%	0.772	S	S	*	*			trans	61.9	132.7	142.9	-91	165.4	-52.4	0	0	125.7
464	H	34.9	Very low	34.6	Very low	146 Å²	146	147.4 Å²	147.4	68%	0.676	77%	0.773	S	S	*	*				97.7	131.4	129.8	-91.5	-63.5	0	0	0	123.5
465	N	36.4	Very low	34.5	Very low	118 Å²	118	147 Å²	147	63%	0.631	77%	0.768	S	S	*	*			trans	92.2	99.4	147.7	-63.3	-1.9	0	0	0	121.1
466	D	35.8	Very low	33.9	Very low	134 Å²	134	145.3 Å²	145.3	72%	0.717	77%	0.768	S	S	*	*				81.7	127.7	113.7	-55.8	-21.8	0	0	0	123.1
467	C	31.1	Very low	33.6	Very low	112 Å²	112	142.8 Å²	142.8	76%	0.757	76%	0.761	S	S	*	*			trans	72.8	105.9	144.1	-69	0	0	0	0	121.7
468	E	32.3	Very low	33.2	Very low	165 Å²	165	145.6 Å²	145.6	77%	0.771	77%	0.769	S	S	*	*				86.6	116.9	123.6	-69.4	-157.6	167	0	0	121.9
469	N	30.9	Very low	32.7	Very low	132 Å²	132	143 Å²	143	71%	0.706	77%	0.765	S	S	*	*			trans	77.5	100.9	134.8	-68.1	-37.5	0	0	0	120.4
470	S	30.3	Very low	32.4	Very low	108 Å²	108	146.1 Å²	146.1	76%	0.755	77%	0.772	S	S	*	*				68.2	93	125.9	176.6	0	0	0	0	118.7
471	V	34.5	Very low	32.3	Very low	138 Å²	138	144.7 Å²	144.7	84%	0.836	77%	0.77	S	S	*	*				-142.6	139.2	127	154.2	0	0	0	0	108.6
472	L	30.4	Very low	32.4	Very low	159 Å²	159	144.6 Å²	144.6	83%	0.832	78%	0.776	S	S	*	*			trans	-69.4	125.9	179.7	-70	116.2	0	0	0	112.6
473	N	29.3	Very low	32.4	Very low	153 Å²	153	140.8 Å²	140.8	82%	0.818	77%	0.77	S	S	*	*			trans	-175.9	121.5	150.7	-96.4	-42.7	0	0	0	110.6
474	D	34.4	Very low	32.6	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	77%	0.768	S	S	*	*			trans	-176	116.5	150.4	-95.1	-28.8	0	0	0	107.4
475	K	38.3	Very low	32.8	Very low	193 Å²	193	139.9 Å²	139.9	84%	0.839	77%	0.771	S	S	*	*				66.7	120.8	67.7	-72.2	-169.8	173.1	-179.4	0	114.5
476	L	27.8	Very low	32.7	Very low	170 Å²	170	141.4 Å²	141.4	89%	0.89	77%	0.774	S	S	*	*			trans	-40.3	144.4	179.9	-92.5	62.5	0	0	0	114.4
477	P	30.2	Very low	32.7	Very low	110 Å²	110	140.6 Å²	140.6	71%	0.714	77%	0.768	S	S	*	*				-138.6	147.5	105	34.7	-22	0	0	0	116.5
478	L	27.5	Very low	32.7	Very low	165 Å²	165	140.7 Å²	140.7	86%	0.864	76%	0.757	S	S	*	*			trans	-10.6	116.3	160.1	-64.7	157.7	0	0	0	117.1
479	N	30.8	Very low	32.8	Very low	152 Å²	152	138.1 Å²	138.1	81%	0.813	75%	0.745	S	S	*	*			trans	-126.1	114.2	157.4	-95.1	-66.4	0	0	0	110.1	T481	N479-T481 PolarHBondContact O-N 3.13Å
480	L	33.6	Very low	32.8	Very low	173 Å²	173	139.4 Å²	139.4	91%	0.906	75%	0.745	S	S	*	*			trans	-72.7	110	171.5	-76.6	138.8	0	0	0	108.9	P482	L480-P482 WeakPolarHBondContact O-CD 3.4Å
481	T	30.7	Very low	33	Very low	128 Å²	128	143.5 Å²	143.5	79%	0.785	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-84.1	119.3	177.3	45.8	0	0	0	0	111.3	N479	N479-T481 PolarHBondContact O-N 3.13Å
482	P	35.4	Very low	33	Very low	122 Å²	122	144.1 Å²	144.1	79%	0.792	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-71.7	132.7	164.2	-11.6	28.9	0	0	0	109.1	L480 T484	L480-P482 WeakPolarHBondContact O-CD 3.4Å; P482-T484 PolarHBondContact O-N 3.01Å
483	S	32.4	Very low	33.1	Very low	85 Å²	85	142.6 Å²	142.6	59%	0.594	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-49	131.1	-177	-179.6	0	0	0	0	113.7	K485	S483-K485 PolarHBondContact O-N 3.16Å
484	T	37.8	Very low	33.3	Very low	102 Å²	102	141.6 Å²	141.6	63%	0.626	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-15.7	-179.7	37.1	0	0	0	0	114.6	P482 H486 I487	P482-T484 PolarHBondContact O-N 3.01Å; T484-H486 VanDerWaalsContact C-N 3.26Å; T484-H486 PolarHBondContact O-N 3.18Å; T484-H486 VanDerWaalsContact O-N 3.13Å; T484-I487 PolarHBondContact O-N 3.33Å; T484-I487 VanDerWaalsContact O-N 3.15Å
485	K	38.8	Very low	33.3	Very low	166 Å²	166	141.3 Å²	141.3	72%	0.722	72%	0.722	S	S	*	*	H	α-helix	trans	-57	-29.7	-176.6	-73.2	-171.4	172	-174.8	0	115.2	S483	S483-K485 PolarHBondContact O-N 3.16Å
486	H	34.6	Very low	32.9	Very low	151 Å²	151	141.6 Å²	141.6	70%	0.699	72%	0.724	S	S	*	*	H	α-helix	trans	-81.1	-10.2	-179	-93.4	-42.4	0	0	0	115.3	T484 E489	T484-H486 VanDerWaalsContact C-N 3.26Å; T484-H486 PolarHBondContact O-N 3.18Å; T484-H486 VanDerWaalsContact O-N 3.13Å; H486-E489 IonicContact CE1-OE2 2.68Å; H486-E489 IonicContact ND1-OE2 2.72Å; H486-E489 PolarHBondContact ND1-OE2 3.36Å; H486-E489 VanDerWaalsContact ND1-OE2 3.09Å
487	I	35.1	Very low	33.1	Very low	116 Å²	116	138.5 Å²	138.5	60%	0.595	71%	0.714	S	S	*	*	H	α-helix	trans	-92.7	-32.4	179.4	-61.8	177.9	0	0	0	111.1	T484 F490 R491	T484-I487 PolarHBondContact O-N 3.33Å; T484-I487 VanDerWaalsContact O-N 3.15Å; I487-F490 PolarHBondContact O-N 3.07Å; I487-R491 PolarHBondContact O-N 3.39Å
488	E	31.9	Very low	33.1	Very low	114 Å²	114	139.1 Å²	139.1	53%	0.533	71%	0.711	S	S	.	*	H	α-helix	trans	-60.2	-47	171.6	-113.3	72.5	-122.6	0	0	112.1	F490 R491 Q492	E488-F490 PolarHBondContact O-N 2.92Å; E488-R491 PolarHBondContact O-N 3.49Å; E488-R491 VanDerWaalsContact O-N 3.07Å; E488-Q492 PolarHBondContact O-N 3.19Å
489	E	33.5	Very low	33.2	Very low	111 Å²	111	138.6 Å²	138.6	52%	0.519	71%	0.708	S	S	.	*	H	α-helix	trans	-58.4	-31.9	177.5	-73.6	-177.1	137.6	0	0	112.7	H486 R491 N493	H486-E489 IonicContact CE1-OE2 2.68Å; H486-E489 IonicContact ND1-OE2 2.72Å; H486-E489 PolarHBondContact ND1-OE2 3.36Å; H486-E489 VanDerWaalsContact ND1-OE2 3.09Å; E489-R491 VanDerWaalsContact C-N 3.33Å; E489-N493 PolarHBondContact O-ND2 3.1Å
490	F	32.2	Very low	33.2	Very low	160 Å²	160	136.1 Å²	136.1	70%	0.702	70%	0.698	S	S	*	*	H	α-helix	trans	-77	-19.6	-179.3	-149.1	-90.3	0	0	0	112.9	I487 E488	I487-F490 PolarHBondContact O-N 3.07Å; E488-F490 PolarHBondContact O-N 2.92Å
491	R	34	Very low	33	Very low	193 Å²	193	133.5 Å²	133.5	73%	0.728	69%	0.689	S	S	*	*	H	α-helix	trans	-89.8	-37.1	175.7	-74.3	-173.5	167.5	-152.8	-3.3	113	I487 E488 E489 N493 L494	I487-R491 PolarHBondContact O-N 3.39Å; E488-R491 PolarHBondContact O-N 3.49Å; E488-R491 VanDerWaalsContact O-N 3.07Å; E489-R491 VanDerWaalsContact C-N 3.33Å; R491-N493 VanDerWaalsContact C-N 3.3Å; R491-N493 PolarHBondContact O-N 2.99Å; R491-L494 PolarHBondContact O-N 3.27Å
492	Q	35.1	Very low	33	Very low	151 Å²	151	132.6 Å²	132.6	71%	0.706	69%	0.688	S	S	*	*	H	α-helix	trans	-67.4	-29.4	179.5	-68.2	-173.3	-1	0	0	113	E488 L494	E488-Q492 PolarHBondContact O-N 3.19Å; Q492-L494 PolarHBondContact O-N 2.94Å
493	N	32.4	Very low	32.9	Very low	127 Å²	127	135.2 Å²	135.2	68%	0.679	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	7	178.4	-76.5	-69.8	0	0	0	115.1	E489 R491	E489-N493 PolarHBondContact O-ND2 3.1Å; R491-N493 VanDerWaalsContact C-N 3.3Å; R491-N493 PolarHBondContact O-N 2.99Å
494	L	33.7	Very low	32.9	Very low	133 Å²	133	138.7 Å²	138.7	70%	0.696	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	8.4	-179.2	-70.8	174.2	0	0	0	113.9	R491 Q492	R491-L494 PolarHBondContact O-N 3.27Å; Q492-L494 PolarHBondContact O-N 2.94Å
495	L	33.1	Very low	32.3	Very low	146 Å²	146	139.1 Å²	139.1	76%	0.764	71%	0.709	S	S	*	*			trans	-129.7	93.1	179.5	-145.1	80.3	0	0	0	109.7	P497	L495-P497 WeakPolarHBondContact O-CD 3.09Å
496	F	30.8	Very low	31.9	Very low	199 Å²	199	139 Å²	139	87%	0.873	72%	0.715	S	S	*	*			trans	-81.6	119.5	171.3	-69.6	-74.6	0	0	0	109.3
497	P	30.6	Very low	31.6	Very low	104 Å²	104	137.4 Å²	137.4	68%	0.675	71%	0.712	S	S	*	*			trans	-82.8	166.7	177.1	35	-34.9	0	0	0	112	L495	L495-P497 WeakPolarHBondContact O-CD 3.09Å
498	N	31.4	Very low	31.4	Very low	123 Å²	123	138 Å²	138	66%	0.658	72%	0.715	S	S	*	*			trans	78.1	74.2	166.1	-55	-10.2	0	0	0	116.8
499	I	29.3	Very low	31.6	Very low	155 Å²	155	136.8 Å²	136.8	80%	0.795	72%	0.72	S	S	*	*			trans	-76.4	114.4	139.3	-63.9	165.7	0	0	0	106.6	T501	I499-T501 HydrophobicContact CG2-CG2 4.02Å
500	T	29.8	Very low	31.8	Very low	100 Å²	100	135.8 Å²	135.8	61%	0.613	72%	0.721	S	S	*	*			trans	-114.2	81.4	166.1	53.8	0	0	0	0	110	S502	T500-S502 PolarHBondContact O-N 3.17Å
501	T	30.7	Very low	32	Very low	118 Å²	118	134 Å²	134	72%	0.724	72%	0.715	S	S	*	*			trans	-72.2	116.1	162.4	46	0	0	0	0	108.8	I499 E503	I499-T501 HydrophobicContact CG2-CG2 4.02Å; T501-E503 PolarHBondContact O-N 2.79Å
502	S	31.3	Very low	31.9	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	71%	0.713	S	S	*	*			trans	-64.6	126.5	171.2	52.6	0	0	0	0	110.6	T500	T500-S502 PolarHBondContact O-N 3.17Å
503	E	32	Very low	32	Very low	178 Å²	178	131.5 Å²	131.5	83%	0.832	71%	0.71	S	S	*	*	S	Bend	trans	54.2	70.7	151.9	-57.5	-175.2	167.7	0	0	116.7	T501	T501-E503 PolarHBondContact O-N 2.79Å
504	N	32.1	Very low	32.2	Very low	158 Å²	158	128.5 Å²	128.5	85%	0.845	70%	0.698	S	S	*	*				-163.4	148.1	111.2	-95	-48.5	0	0	0	111.2
505	S	26.2	Very low	32.1	Very low	110 Å²	110	127.9 Å²	127.9	77%	0.769	70%	0.695	S	S	*	*			trans	-55.9	136.4	-173.1	46.4	0	0	0	0	114.3
506	L	30.4	Very low	32.2	Very low	164 Å²	164	125.5 Å²	125.5	86%	0.859	69%	0.69	S	S	*	*				-171.5	148.6	126.6	-97.9	164.8	0	0	0	111.1	L508	L506-L508 PolarHBondContact O-N 2.73Å
507	N	27.6	Very low	32.6	Very low	117 Å²	117	124.4 Å²	124.4	63%	0.626	69%	0.685	S	S	*	*			trans	-101	76.5	-152.6	-167.5	-1	0	0	0	113.6	S509	N507-S509 VanDerWaalsContact C-N 3.32Å; N507-S509 PolarHBondContact O-N 3.32Å
508	L	31	Very low	32.7	Very low	128 Å²	128	127 Å²	127	67%	0.67	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	2.7	-173.7	-87	136.6	0	0	0	116.2	L506	L506-L508 PolarHBondContact O-N 2.73Å
509	S	36.6	Very low	32.7	Very low	90 Å²	90	125.8 Å²	125.8	63%	0.629	69%	0.689	S	S	*	*	H	α-helix	trans	-73.2	-31.6	-179.2	-167.7	0	0	0	0	113.2	N507	N507-S509 VanDerWaalsContact C-N 3.32Å; N507-S509 PolarHBondContact O-N 3.32Å
510	T	38.5	Very low	32.7	Very low	90 Å²	90	125.4 Å²	125.4	55%	0.552	69%	0.688	S	S	*	*	H	α-helix	trans	-89.3	-23.6	-177.8	36.3	0	0	0	0	114.4	S514	T510-S514 PolarHBondContact O-N 2.73Å; T510-S514 PolarHBondContact O-OG 3.1Å
511	E	35.8	Very low	32.7	Very low	122 Å²	122	127.8 Å²	127.8	57%	0.57	70%	0.696	S	S	*	*	H	α-helix	trans	-77.1	-38	177.1	-80.9	-175.9	135.7	0	0	112.6	Q513 S514 L515	E511-Q513 VanDerWaalsContact C-N 3.29Å; E511-Q513 PolarHBondContact O-N 3.4Å; E511-S514 PolarHBondContact O-N 3.47Å; E511-S514 VanDerWaalsContact O-N 3.09Å; E511-L515 WeakPolarHBondContact O-CG 3.35Å; E511-L515 PolarHBondContact O-N 3.34Å
512	F	32.3	Very low	32.6	Very low	156 Å²	156	132.6 Å²	132.6	68%	0.684	70%	0.701	S	S	*	*	H	α-helix	trans	-64.3	-33	179.3	-158.9	-100	0	0	0	112.6
513	Q	36.3	Very low	32.5	Very low	136 Å²	136	137 Å²	137	64%	0.636	71%	0.707	S	S	*	*	H	α-helix	trans	-81.3	-17.4	174.4	-67.7	-168.3	1.8	0	0	114.3	E511	E511-Q513 VanDerWaalsContact C-N 3.29Å; E511-Q513 PolarHBondContact O-N 3.4Å
514	S	37	Very low	32.5	Very low	63 Å²	63	135.9 Å²	135.9	44%	0.441	71%	0.706	S	S	.	*	H	α-helix	trans	-82	-41.3	173.2	-62.1	0	0	0	0	111.4	T510 E511 C516 K517	T510-S514 PolarHBondContact O-N 2.73Å; T510-S514 PolarHBondContact O-OG 3.1Å; E511-S514 PolarHBondContact O-N 3.47Å; E511-S514 VanDerWaalsContact O-N 3.09Å; S514-C516 VanDerWaalsContact C-N 3.28Å; S514-C516 PolarHBondContact O-N 2.97Å; S514-K517 PolarHBondContact O-N 3.12Å
515	L	32.3	Very low	32.4	Very low	120 Å²	120	135.4 Å²	135.4	63%	0.628	70%	0.704	S	S	*	*	H	α-helix	trans	-61	-33.5	176.3	-72.9	166.7	0	0	0	112.9	E511 K517	E511-L515 WeakPolarHBondContact O-CG 3.35Å; E511-L515 PolarHBondContact O-N 3.34Å; L515-K517 VanDerWaalsContact C-N 3.25Å; L515-K517 PolarHBondContact O-N 2.92Å
516	C	33.9	Very low	32.6	Very low	96 Å²	96	135.2 Å²	135.2	65%	0.649	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-4	173.8	-68.3	0	0	0	0	115	S514	S514-C516 VanDerWaalsContact C-N 3.28Å; S514-C516 PolarHBondContact O-N 2.97Å
517	K	38.9	Very low	32.6	Very low	176 Å²	176	135.2 Å²	135.2	77%	0.765	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	0.2	178	-73.9	179.7	178.6	174.5	0	114.2	S514 L515	S514-K517 PolarHBondContact O-N 3.12Å; L515-K517 VanDerWaalsContact C-N 3.25Å; L515-K517 PolarHBondContact O-N 2.92Å
518	Q	34.3	Very low	32.6	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.743	71%	0.709	S	S	*	*	S	Bend	trans	-116.3	8	-171.1	-79.1	166.9	-23.5	0	0	115.6
519	S	31.1	Very low	32.6	Very low	97 Å²	97	134.8 Å²	134.8	68%	0.678	72%	0.718	S	S	*	*			trans	-111.1	82.1	166.1	54.4	0	0	0	0	111.7	I521	S519-I521 PolarHBondContact O-N 3.5Å; S519-I521 VanDerWaalsContact O-N 3.08Å
520	N	28	Very low	32.3	Very low	147 Å²	147	139.3 Å²	139.3	79%	0.786	73%	0.729	S	S	*	*			trans	-79	84	-175.9	-171.1	10.8	0	0	0	111.9
521	I	29.8	Very low	32	Very low	150 Å²	150	139.7 Å²	139.7	77%	0.769	73%	0.733	S	S	*	*			trans	-126.4	108.2	169.9	-57.9	-177.2	0	0	0	109.9	S519	S519-I521 PolarHBondContact O-N 3.5Å; S519-I521 VanDerWaalsContact O-N 3.08Å
522	R	30.2	Very low	31.6	Very low	219 Å²	219	143.1 Å²	143.1	83%	0.826	75%	0.749	S	S	*	*			trans	-67	128.5	174.3	-68.9	175.7	176.5	163.7	-2.5	110.2	N524	R522-N524 PolarHBondContact O-N 3.36Å
523	F	28.1	Very low	31.6	Very low	202 Å²	202	140.8 Å²	140.8	89%	0.886	75%	0.752	S	S	*	*			trans	-69.9	125.2	158.5	-82.9	-94.9	0	0	0	109.2
524	N	31.6	Very low	31.4	Very low	153 Å²	153	141.3 Å²	141.3	82%	0.818	76%	0.757	S	S	*	*			trans	-135.6	146.6	156.2	-102.6	-18.7	0	0	0	108.9	R522	R522-N524 PolarHBondContact O-N 3.36Å
525	N	30.4	Very low	30.8	Very low	148 Å²	148	150.1 Å²	150.1	79%	0.791	78%	0.781	S	S	*	*			trans	-77.5	165.4	-163.8	-73.3	-47.8	0	0	0	114.5
526	S	30.9	Very low	30.7	Very low	107 Å²	107	149.1 Å²	149.1	75%	0.748	78%	0.784	S	S	*	*			trans	76.4	99.5	153.4	-55.7	0	0	0	0	118
527	I	30.3	Very low	30.4	Very low	164 Å²	164	151.9 Å²	151.9	84%	0.841	79%	0.793	S	S	*	*				-178.6	146.7	98.5	-87.6	154	0	0	0	108.5
528	A	26.8	Very low	30.1	Very low	95 Å²	95	150.2 Å²	150.2	79%	0.785	80%	0.796	S	S	*	*			trans	-104.9	131.4	-174.5	0	0	0	0	0	112.5
529	V	31.9	Very low	29.8	Very low	141 Å²	141	151 Å²	151	86%	0.855	80%	0.8	S	S	*	*			trans	-142.1	142.1	156.7	-173.6	0	0	0	0	108.6
530	H	29.7	Very low	29.8	Very low	184 Å²	184	151.2 Å²	151.2	85%	0.852	80%	0.802	S	S	*	*			trans	-75.7	162.4	-177	-121.7	-114.9	0	0	0	112.7
531	P	31.7	Very low	30	Very low	98 Å²	98	150.7 Å²	150.7	64%	0.636	80%	0.799	S	S	*	*			trans	-97.8	151.9	-165.4	37.2	-32.5	0	0	0	114
532	H	28.9	Very low	30	Very low	195 Å²	195	152.5 Å²	152.5	90%	0.903	80%	0.804	S	S	*	*			trans	-165	142	144.9	-113.7	-80.3	0	0	0	112.8
533	S	32	Very low	30	Very low	107 Å²	107	146.6 Å²	146.6	75%	0.748	80%	0.796	S	S	*	*			trans	85.1	155.4	153.6	-146.2	0	0	0	0	121.4
534	I	31.5	Very low	30.3	Very low	146 Å²	146	142.4 Å²	142.4	75%	0.749	79%	0.788	S	S	*	*			trans	79.1	93.6	166.6	-44.3	-178.5	0	0	0	118.1
535	W	24	Very low	30.4	Very low	248 Å²	248	142.2 Å²	142.2	94%	0.939	79%	0.786	S	S	*	*			trans	-75.5	141.7	142.1	-89.3	20.2	0	0	0	109.8
536	S	31.2	Very low	30.6	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	78%	0.784	S	S	*	*			trans	-174.7	128.6	148.1	-83.3	0	0	0	0	112.3
537	N	28.2	Very low	30.8	Very low	154 Å²	154	142.7 Å²	142.7	82%	0.824	79%	0.785	S	S	*	*			trans	54.2	138.5	155.3	-60.3	-19.4	0	0	0	118.9
538	V	32.5	Very low	30.9	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	78%	0.783	S	S	*	*				-158.8	149	68.1	153.8	0	0	0	0	110.7
539	Q	26.8	Very low	31.1	Very low	177 Å²	177	149.2 Å²	149.2	83%	0.827	79%	0.789	S	S	*	*			trans	-92	176	176.6	-69.2	174.5	-75.3	0	0	113.2
540	S	30.5	Very low	30.9	Very low	101 Å²	101	150.3 Å²	150.3	71%	0.706	79%	0.79	S	S	*	*			trans	82.8	114.5	150	67.8	0	0	0	0	120.2
541	N	32.4	Very low	31.1	Very low	135 Å²	135	146.7 Å²	146.7	72%	0.722	79%	0.786	S	S	*	*				159	116.2	123.2	-74.8	-20.9	0	0	0	107.5
542	Q	30.1	Very low	31.2	Very low	189 Å²	189	149 Å²	149	88%	0.883	79%	0.788	S	S	*	*				56.2	131.1	83.1	-66.4	-171	8	0	0	111.9
543	S	31.5	Very low	31.3	Very low	94 Å²	94	146.1 Å²	146.1	66%	0.657	78%	0.779	S	S	*	*			cis	-165	164.7	22.7	-172.5	0	0	0	0	113.2
544	T	32.7	Very low	31.3	Very low	115 Å²	115	148.9 Å²	148.9	71%	0.706	78%	0.779	S	S	*	*			trans	50.9	116.1	145.7	42.7	0	0	0	0	123.1
545	D	34.2	Very low	31.4	Very low	148 Å²	148	146.9 Å²	146.9	79%	0.791	77%	0.774	S	S	*	*				167.1	156.7	112.1	-85.9	-10.2	0	0	0	110.2
546	V	35.8	Very low	31.9	Very low	121 Å²	121	140.8 Å²	140.8	73%	0.733	76%	0.76	S	S	*	*			cis	-153.1	150.5	-22.6	131.3	0	0	0	0	107.7
547	N	33.8	Very low	31.9	Very low	144 Å²	144	142.7 Å²	142.7	77%	0.77	76%	0.762	S	S	*	*			trans	-55.9	150.5	-177.4	-48.4	-69.8	0	0	0	116.2
548	L	32.4	Very low	32.1	Very low	155 Å²	155	139.9 Å²	139.9	81%	0.812	75%	0.754	S	S	*	*				-164.3	153.2	124	-131.6	69.8	0	0	0	113.7
549	W	32.1	Very low	32.1	Very low	242 Å²	242	140 Å²	140	92%	0.917	75%	0.749	S	S	*	*			trans	75.4	78.4	173.9	-77	61.7	0	0	0	118.7
550	N	28.1	Very low	32.4	Very low	163 Å²	163	137.7 Å²	137.7	87%	0.872	75%	0.747	S	S	*	*			trans	-98.9	141.4	152.8	-102.2	-33	0	0	0	110.2
551	S	33.8	Very low	32.3	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	75%	0.753	S	S	*	*			trans	162.7	133.4	151.8	-76	0	0	0	0	106.1
552	Q	32	Very low	32.3	Very low	147 Å²	147	142.5 Å²	142.5	69%	0.687	76%	0.759	S	S	*	*			cis	-165.2	136.2	39.6	-170	52.3	18.2	0	0	110.8
553	L	32.8	Very low	32.4	Very low	133 Å²	133	138.5 Å²	138.5	70%	0.696	75%	0.751	S	S	*	*			trans	70.4	115.5	166.8	-57.2	154.6	0	0	0	117.9
554	H	31.6	Very low	32.5	Very low	166 Å²	166	140.1 Å²	140.1	77%	0.769	76%	0.756	S	S	*	*				70.5	133.9	65	-74.1	-68.5	0	0	0	113.3
555	T	33.6	Very low	32.3	Very low	103 Å²	103	141.4 Å²	141.4	63%	0.632	76%	0.759	S	S	*	*			cis	-152.8	156.7	-11.9	42.9	0	0	0	0	105.7
556	D	33	Very low	32.1	Very low	120 Å²	120	144.4 Å²	144.4	64%	0.642	77%	0.765	S	S	*	*				-168.6	136.6	56	-95.2	-65	0	0	0	108.4
557	N	32.6	Very low	31.8	Very low	141 Å²	141	144 Å²	144	75%	0.754	77%	0.767	S	S	*	*				52.5	132	98.9	-64.4	-47.1	0	0	0	116.3
558	S	31	Very low	31.7	Very low	94 Å²	94	149.2 Å²	149.2	66%	0.657	78%	0.776	S	S	*	*			cis	-171.3	-175.7	-7.8	57.4	0	0	0	0	110.3
559	I	33.3	Very low	31.6	Very low	143 Å²	143	150 Å²	150	73%	0.733	78%	0.776	S	S	*	*			trans	94.6	79.6	162.8	-58.2	158.1	0	0	0	118
560	T	32.4	Very low	31.4	Very low	129 Å²	129	144 Å²	144	79%	0.791	77%	0.77	S	S	*	*			trans	68.1	112.2	131.3	60.8	0	0	0	0	123.1
561	N	30	Very low	31.5	Very low	156 Å²	156	145.7 Å²	145.7	83%	0.834	77%	0.77	S	S	*	*			trans	-66.1	157.8	153.4	-59.5	-71.3	0	0	0	113.4
562	H	31.9	Very low	31.4	Very low	180 Å²	180	145.1 Å²	145.1	83%	0.833	77%	0.767	S	S	*	*			trans	-159.7	143.7	131.1	-126.3	-73.2	0	0	0	114.4
563	C	32	Very low	31.3	Very low	106 Å²	106	146.5 Å²	146.5	72%	0.716	77%	0.773	S	S	*	*			trans	61.3	101.2	166.7	-61.3	0	0	0	0	117.3
564	V	33.3	Very low	31.2	Very low	127 Å²	127	148.9 Å²	148.9	77%	0.77	78%	0.781	S	S	*	*			cis	74	109.2	47.7	-171.6	0	0	0	0	114.9
565	N	27.8	Very low	31.2	Very low	142 Å²	142	148.1 Å²	148.1	76%	0.759	78%	0.782	S	S	*	*			trans	31.8	121.3	150.3	-60	-24.8	0	0	0	121.1
566	F	30.3	Very low	31	Very low	212 Å²	212	149.5 Å²	149.5	93%	0.93	79%	0.79	S	S	*	*			trans	-138.2	120.9	139.5	-108.4	-81.8	0	0	0	112
567	S	30.7	Very low	31	Very low	111 Å²	111	151 Å²	151	78%	0.776	80%	0.799	S	S	*	*			trans	-72.1	130.8	179	-61.3	0	0	0	0	111.8	Q569	S567-Q569 PolarHBondContact O-N 3Å
568	R	31.7	Very low	31.2	Very low	255 Å²	255	153.4 Å²	153.4	96%	0.962	80%	0.802	S	S	*	*			trans	-81.2	93.4	167.2	-80	-173.9	172.7	-129.8	-0.7	110.7
569	Q	30.4	Very low	31.3	Very low	172 Å²	172	154.3 Å²	154.3	80%	0.804	80%	0.803	S	S	*	*			trans	-78.9	138.8	154.6	-89.9	-178.5	-15.5	0	0	110	S567	S567-Q569 PolarHBondContact O-N 3Å
570	S	28.2	Very low	31.4	Very low	114 Å²	114	156.3 Å²	156.3	80%	0.797	81%	0.809	S	S	*	*			trans	-77.5	126.4	173.3	49.6	0	0	0	0	110.7
571	F	29.6	Very low	31.6	Very low	199 Å²	199	159 Å²	159	87%	0.873	81%	0.81	S	S	*	*			trans	-126.1	141.4	157.7	-109.4	-87.9	0	0	0	110.9
572	S	31.1	Very low	32.1	Very low	98 Å²	98	156.5 Å²	156.5	69%	0.685	80%	0.8	S	S	*	*			trans	-89.7	150.2	-170.1	51.2	0	0	0	0	113
573	Q	29.1	Very low	32.4	Very low	176 Å²	176	155.3 Å²	155.3	82%	0.822	80%	0.795	S	S	*	*			trans	49.6	88.6	143.4	-133.9	73.7	6.5	0	0	118.5
574	Q	31.6	Very low	32.7	Very low	182 Å²	182	156 Å²	156	85%	0.85	79%	0.792	S	S	*	*			trans	179	164.4	131.2	-97.3	160.8	12.9	0	0	110.2
575	N	31.5	Very low	33	Very low	151 Å²	151	156 Å²	156	81%	0.807	79%	0.787	S	S	*	*			trans	71.9	59.9	179.3	-53.7	-29.7	0	0	0	116.7
576	V	30	Very low	33.7	Very low	131 Å²	131	154.2 Å²	154.2	79%	0.794	78%	0.782	S	S	*	*			trans	-63.2	157.2	140.3	-172.4	0	0	0	0	108
577	D	31.9	Very low	33.9	Very low	153 Å²	153	150.2 Å²	150.2	82%	0.818	77%	0.769	S	S	*	*	S	Bend	trans	96.6	9.4	172.7	-54.7	-27.5	0	0	0	121.3
578	K	36.6	Very low	34.2	Very low	191 Å²	191	153.4 Å²	153.4	83%	0.83	77%	0.769	S	S	*	*	S	Bend	trans	-122.6	4.5	173.4	-79.5	-173.7	177.7	176.1	0	118.5
579	V	33.5	Very low	34.6	Very low	112 Å²	112	146.1 Å²	146.1	68%	0.679	76%	0.758	S	S	*	*	S	Bend	trans	-101.7	-16.9	-175.2	-176.9	0	0	0	0	114.3	K581	V579-K581 PolarHBondContact O-N 2.95Å
580	H	35.8	Very low	34.8	Very low	185 Å²	185	143.1 Å²	143.1	86%	0.856	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-0.1	-175.3	-95.6	-72.3	0	0	0	116.6
581	K	37.3	Very low	35	Very low	187 Å²	187	146.2 Å²	146.2	81%	0.813	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-9.6	-177.6	-117	174.5	-178.8	175.6	0	115.4	V579	V579-K581 PolarHBondContact O-N 2.95Å
582	T	39.9	Very low	35.3	Very low	103 Å²	103	143.4 Å²	143.4	63%	0.632	75%	0.748	S	S	*	*	S	Bend	trans	-103.1	-7.9	-170.9	-12.6	0	0	0	0	114.8
583	Q	38.6	Very low	35.5	Very low	154 Å²	154	146.6 Å²	146.6	72%	0.72	76%	0.757	S	S	*	*	S	Bend	trans	-95.9	-11.9	177.8	-76.7	-177.3	-27.7	0	0	114.6
584	N	38.4	Very low	35.5	Very low	122 Å²	122	145.7 Å²	145.7	65%	0.652	76%	0.758	S	S	*	*	S	Bend	trans	-90.3	-12.3	-179.1	-91.1	-30.9	0	0	0	115
585	N	39.4	Very low	35.7	Very low	126 Å²	126	143.9 Å²	143.9	67%	0.674	75%	0.754	S	S	*	*	S	Bend	trans	-89.9	-28.2	-179	-72.1	-1.8	0	0	0	113.1	L587	N585-L587 PolarHBondContact O-N 3.32Å
586	T	41.2	Very low	35.7	Very low	105 Å²	105	143.3 Å²	143.3	64%	0.644	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-27.2	-179.3	-29.3	0	0	0	0	112.9
587	L	34.8	Very low	35.9	Very low	127 Å²	127	145.2 Å²	145.2	67%	0.665	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-13.7	179.4	-80.8	164.6	0	0	0	114.5	N585	N585-L587 PolarHBondContact O-N 3.32Å
588	K	38.8	Very low	36	Very low	179 Å²	179	144.8 Å²	144.8	78%	0.778	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-12.4	175.5	-90.8	-175.9	171.6	-177.3	0	114.3
589	S	39.1	Very low	35.5	Very low	102 Å²	102	143.1 Å²	143.1	71%	0.713	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-8.3	-179.6	-165.2	0	0	0	0	114.6
590	C	33.8	Very low	35.4	Very low	109 Å²	109	142.9 Å²	142.9	74%	0.736	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	2.4	-174.6	-60.8	0	0	0	0	114.4
591	F	34	Very low	35.2	Very low	178 Å²	178	143.1 Å²	143.1	78%	0.781	75%	0.754	S	S	*	*	S	Bend	trans	-110.7	1.1	-173	-90.6	-77.1	0	0	0	115.6
592	N	34.8	Very low	34.9	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	75%	0.752	S	S	*	*			trans	-120.2	93.4	174	-82.9	-4.3	0	0	0	110.2
593	N	35.7	Very low	34.7	Very low	165 Å²	165	141.6 Å²	141.6	88%	0.882	77%	0.765	S	S	*	*			trans	175.6	74.3	146	-89.7	-15.6	0	0	0	110.2
594	N	29.9	Very low	34.4	Very low	157 Å²	157	141.9 Å²	141.9	84%	0.84	77%	0.772	S	S	*	*			trans	-86.7	124.7	159.1	-84.4	-16.7	0	0	0	108.4
595	N	34.7	Very low	34.1	Very low	143 Å²	143	141.2 Å²	141.2	77%	0.765	78%	0.776	S	S	*	*			trans	179.3	126.2	133.6	-89.9	-22.5	0	0	0	112.1
596	N	32.6	Very low	33.8	Very low	140 Å²	140	141.1 Å²	141.1	75%	0.749	78%	0.782	S	S	*	*			trans	62	113.3	151.6	-53.6	-21.5	0	0	0	119.9
597	I	33.2	Very low	33.2	Very low	171 Å²	171	145.8 Å²	145.8	88%	0.877	79%	0.794	S	S	*	*				179.8	151.5	104.2	-87.9	156.4	0	0	0	110.3
598	N	33.5	Very low	33.1	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	80%	0.795	S	S	*	*			trans	-90.9	143.1	-161.5	-71.4	-49.8	0	0	0	116.7
599	L	26.3	Very low	32.6	Very low	156 Å²	156	143.6 Å²	143.6	82%	0.817	80%	0.798	S	S	*	*			trans	32.6	127.5	133.7	-64.4	154.7	0	0	0	120.5
600	S	31.4	Very low	32	Very low	106 Å²	106	147.4 Å²	147.4	74%	0.741	80%	0.804	S	S	*	*				177.2	155.9	94.1	57.5	0	0	0	0	115.5
601	K	33	Very low	31.9	Very low	191 Å²	191	147.4 Å²	147.4	83%	0.83	81%	0.805	S	S	*	*			trans	84	110.8	160.8	-65.8	-178.5	179.6	178.4	0	121.4
602	S	31	Very low	31.7	Very low	111 Å²	111	146 Å²	146	78%	0.776	80%	0.803	S	S	*	*			trans	60.8	108	137	62.7	0	0	0	0	121.2
603	T	34.4	Very low	31.3	Very low	146 Å²	146	147.4 Å²	147.4	90%	0.896	81%	0.81	S	S	*	*				-161.5	154.9	128.2	19.4	0	0	0	0	109.9
604	D	32.9	Very low	31	Very low	161 Å²	161	145.2 Å²	145.2	86%	0.861	81%	0.808	S	S	*	*			trans	-70.3	160	-176	-57	-80.8	0	0	0	114.5
605	S	32	Very low	31.1	Very low	108 Å²	108	143 Å²	143	76%	0.755	81%	0.805	S	S	*	*			trans	107.9	101.7	172.1	-167.4	0	0	0	0	116.1
606	P	31.8	Very low	30.9	Very low	123 Å²	123	142.4 Å²	142.4	80%	0.799	81%	0.806	S	S	*	*			trans	-103.9	94.3	168.9	35.4	-25.9	0	0	0	111.7
607	F	30.2	Very low	30.9	Very low	203 Å²	203	141.2 Å²	141.2	89%	0.89	81%	0.809	S	S	*	*			trans	-115.5	62.1	155.4	-116	-70.4	0	0	0	109.6
608	S	32.5	Very low	31	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	81%	0.806	S	S	*	*	S	Bend	trans	-169.4	119.4	159.1	-86.6	0	0	0	0	114.5
609	I	26.9	Very low	30.8	Very low	162 Å²	162	140 Å²	140	83%	0.831	81%	0.813	S	S	*	*			trans	63.5	95	134.9	-48.2	170.1	0	0	0	119.1
610	E	28.3	Very low	31.5	Very low	181 Å²	181	138.3 Å²	138.3	85%	0.846	81%	0.813	S	S	*	*			trans	-170.2	146.9	144.1	-107	174.8	-174	0	0	105.9
611	C	30.4	Very low	31.7	Very low	110 Å²	110	145.4 Å²	145.4	74%	0.743	84%	0.835	S	S	*	*			cis	-123.1	150.5	4	-53.7	0	0	0	0	108.7
612	I	30.5	Very low	31.6	Very low	147 Å²	147	143.2 Å²	143.2	75%	0.754	84%	0.835	S	S	*	*				52.6	98.2	64.7	-53.4	-177.9	0	0	0	114.2
613	L	26	Very low	31.7	Very low	171 Å²	171	144.8 Å²	144.8	90%	0.895	84%	0.838	S	S	*	*			trans	27.7	95.2	149	-61.4	173.2	0	0	0	119.6
614	S	29.5	Very low	31.5	Very low	119 Å²	119	144.8 Å²	144.8	83%	0.832	84%	0.835	S	S	*	*			trans	179.2	138.1	150.7	-104.3	0	0	0	0	107.2
615	S	32.6	Very low	31.4	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	83%	0.833	S	S	*	*			cis	-147.3	167.5	12	-68.9	0	0	0	0	112.3
616	T	29.1	Very low	31.4	Very low	129 Å²	129	146.1 Å²	146.1	79%	0.791	84%	0.838	S	S	*	*			trans	-68.6	171.2	180	47.1	0	0	0	0	117.3
617	S	32.7	Very low	31.4	Very low	116 Å²	116	147.6 Å²	147.6	81%	0.811	84%	0.841	S	S	*	*			trans	88.3	124.9	157.4	76.7	0	0	0	0	116.3
618	S	35.2	Very low	31.5	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	84%	0.837	S	S	*	*			cis	-154.7	147.6	48.8	51.2	0	0	0	0	114.3
619	L	30.2	Very low	31.4	Very low	174 Å²	174	147.1 Å²	147.1	91%	0.911	85%	0.848	S	S	*	*			trans	-80.3	139.5	169.7	-92.3	70.6	0	0	0	112.5
620	S	40.9	Very low	31.8	Very low	119 Å²	119	145.8 Å²	145.8	83%	0.832	85%	0.85	S	S	*	*			trans	-179.2	129	139.5	57.5	0	0	0	0	106.7
621	H	35.7	Very low	32.1	Very low	256 Å²	256	142.6 Å²	142.6	100%	1.185	85%	0.85	S	S	*	*			cis	-142.1	0	25.5	-164.2	-37.2	0	0	0	110.7

Retrieved 621 of 621 residues in 418.1 ms (Link to these results)

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