A0A5K4F708_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F708, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 582 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	26.1	Very low	26	Very low	158 Å²	158	147 Å²	147	78%	0.778	76%	0.764	S	S	*	*				0	-10.9	0	-85.7	-61.4	-171.5	0	0	114	E461	M1-E461 WeakPolarHBondContact CE-OE1 3.43Å; M1-E461 WeakPolarHBondContact CE-OE2 3.2Å
2	D	27.2	Very low	26.5	Very low	155 Å²	155	144.4 Å²	144.4	83%	0.829	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-86.5	-3.8	-173.3	-64	-48.2	0	0	0	117.5
3	F	26.9	Very low	26.9	Very low	209 Å²	209	140 Å²	140	92%	0.917	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-88.8	2	-178.8	-87.2	-82.1	0	0	0	115.3
4	L	26.6	Very low	27.4	Very low	146 Å²	146	137 Å²	137	76%	0.764	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-99.5	8.7	-174.5	-74.2	170.3	0	0	0	115	V6	L4-V6 VanDerWaalsContact C-N 3.27Å; L4-V6 PolarHBondContact O-N 3.26Å
5	K	25.3	Very low	28	Very low	196 Å²	196	131.2 Å²	131.2	85%	0.852	74%	0.737	S	S	*	*			trans	-81.8	76.9	167.9	-74.3	-176.7	179	176.4	0	109.6	P7	K5-P7 VanDerWaalsContact O-CD 3.26Å; K5-P7 WeakPolarHBondContact O-CD 3.26Å
6	V	24.1	Very low	28.7	Very low	130 Å²	130	131.1 Å²	131.1	79%	0.788	73%	0.734	S	S	*	*			trans	-79.8	106.9	157	-178.6	0	0	0	0	105.7	L4 S8	L4-V6 VanDerWaalsContact C-N 3.27Å; L4-V6 PolarHBondContact O-N 3.26Å; V6-S8 PolarHBondContact O-N 3.22Å
7	P	25.5	Very low	29.4	Very low	84 Å²	84	132.2 Å²	132.2	55%	0.545	73%	0.732	S	S	.	*			trans	-69.9	132.5	177.1	-2	19.5	0	0	0	107.6	K5 F9	K5-P7 VanDerWaalsContact O-CD 3.26Å; K5-P7 WeakPolarHBondContact O-CD 3.26Å; P7-F9 HydrophobicContact CB-CD2 3.84Å; P7-F9 HydrophobicContact CB-CE2 3.9Å; P7-F9 HydrophobicContact CG-CD2 4.28Å; P7-F9 HydrophobicContact CG-CE2 4.22Å; P7-F9 PolarHBondContact O-N 3.26Å
8	S	24	Very low	30	Very low	126 Å²	126	136.2 Å²	136.2	88%	0.881	73%	0.734	S	S	*	*			trans	-63.8	80.1	173.9	54.3	0	0	0	0	110.1	V6	V6-S8 PolarHBondContact O-N 3.22Å
9	F	26	Very low	30.5	Very low	173 Å²	173	134.4 Å²	134.4	76%	0.759	72%	0.719	S	S	*	*			trans	-83	123.1	173.4	-94.4	-84.8	0	0	0	109.4	P7 W11	P7-F9 HydrophobicContact CB-CD2 3.84Å; P7-F9 HydrophobicContact CB-CE2 3.9Å; P7-F9 HydrophobicContact CG-CD2 4.28Å; P7-F9 HydrophobicContact CG-CE2 4.22Å; P7-F9 PolarHBondContact O-N 3.26Å; F9-W11 PolarHBondContact O-N 3.06Å
10	G	27	Very low	30.8	Very low	59 Å²	59	133.5 Å²	133.5	61%	0.608	71%	0.71	S	S	*	*			trans	-55.1	132.4	171.1	0	0	0	0	0	110.3	T12	G10-T12 PolarHBondContact O-N 3.4Å
11	W	27.2	Very low	31.4	Very low	181 Å²	181	133.2 Å²	133.2	69%	0.686	71%	0.705	S	S	*	*			trans	-71.5	91.5	-174.5	-70.2	70.8	0	0	0	110	F9 I133	F9-W11 PolarHBondContact O-N 3.06Å; W11-I133 HydrophobicContact CH2-CG2 4.1Å; W11-I133 HydrophobicContact CZ2-CG2 4.12Å
12	T	32.1	Very low	32.2	Very low	116 Å²	116	129.1 Å²	129.1	71%	0.712	69%	0.689	S	S	*	*			trans	-110.3	89.3	170.9	59.4	0	0	0	0	109.8	G10 S14	G10-T12 PolarHBondContact O-N 3.4Å; T12-S14 PolarHBondContact O-N 2.95Å; T12-S14 PolarHBondContact O-OG 3.5Å
13	G	31.9	Very low	32.9	Very low	87 Å²	87	124.8 Å²	124.8	90%	0.897	66%	0.663	S	S	*	*	S	Bend	trans	53	0.7	144.6	0	0	0	0	0	122.2
14	S	34.1	Very low	33.5	Very low	98 Å²	98	118.4 Å²	118.4	69%	0.685	64%	0.638	S	S	*	*			trans	-132.7	9.8	-178	54.9	0	0	0	0	112.9	T12 D16	T12-S14 PolarHBondContact O-N 2.95Å; T12-S14 PolarHBondContact O-OG 3.5Å; S14-D16 VanDerWaalsContact C-N 3.35Å; S14-D16 PolarHBondContact O-N 3.36Å
15	S	36.3	Very low	34.5	Very low	50 Å²	50	117.7 Å²	117.7	35%	0.35	63%	0.631	S	S	.	*	H	α-helix	trans	-74.8	-13.2	-171	46.2	0	0	0	0	115.4	F19	S15-F19 WeakPolarHBondContact O-CB 3.36Å; S15-F19 PolarHBondContact O-N 2.73Å
16	D	39	Very low	35.2	Very low	130 Å²	130	112 Å²	112	70%	0.695	61%	0.609	S	S	*	*	H	α-helix	trans	-68.2	-40.6	-175.7	-85.9	-25.7	0	0	0	112.8	S14 F19 E20	S14-D16 VanDerWaalsContact C-N 3.35Å; S14-D16 PolarHBondContact O-N 3.36Å; D16-F19 PolarHBondContact O-N 3.39Å; D16-E20 WeakPolarHBondContact O-CB 3.43Å; D16-E20 PolarHBondContact O-N 3.39Å
17	Q	41	Very low	36	Very low	150 Å²	150	110 Å²	110	70%	0.701	59%	0.588	S	S	*	*	H	α-helix	trans	-71.1	-40.5	-174.1	-135	175.3	8.6	0	0	112.5	E20 E21	Q17-E20 PolarHBondContact O-N 3.05Å; Q17-E21 PolarHBondContact O-N 3.44Å
18	R	40.2	Very low	36.9	Very low	204 Å²	204	111.7 Å²	111.7	77%	0.77	59%	0.588	S	S	*	*	H	α-helix	trans	-68.2	-35.3	175.4	-96.7	-176.5	177.8	-176.2	0.7	112.4	E21 T22	R18-E21 PolarHBondContact O-N 3.19Å; R18-T22 PolarHBondContact O-N 3.06Å; R18-T22 PolarHBondContact O-OG1 3.01Å
19	F	38.1	Very low	37.9	Very low	102 Å²	102	110.6 Å²	110.6	45%	0.447	57%	0.573	S	S	.	*	H	α-helix	trans	-65.6	-44.7	176.7	-169.8	-94.4	0	0	0	110.7	S15 D16 E21 T22 F23 I130	S15-F19 WeakPolarHBondContact O-CB 3.36Å; S15-F19 PolarHBondContact O-N 2.73Å; D16-F19 PolarHBondContact O-N 3.39Å; F19-E21 PolarHBondContact O-N 3.32Å; F19-T22 WeakPolarHBondContact CA-OG1 3.47Å; F19-T22 PolarHBondContact O-N 3.22Å; F19-T22 PolarHBondContact O-OG1 2.75Å; F19-F23 WeakPolarHBondContact O-CB 3.36Å; F19-F23 PolarHBondContact O-N 3.13Å; F19-I130 HydrophobicContact CE1-CD1 4.41Å; F19-I130 HydrophobicContact CE1-CG2 3.84Å; F19-I130 HydrophobicContact CZ-CB 4.34Å; F19-I130 HydrophobicContact CZ-CD1 3.76Å; F19-I130 HydrophobicContact CZ-CG1 3.8Å; F19-I130 HydrophobicContact CZ-CG2 3.61Å
20	E	37.9	Very low	38.5	Very low	115 Å²	115	105 Å²	105	54%	0.537	56%	0.555	S	S	.	*	H	α-helix	trans	-61.8	-40.6	176.6	-162.4	171.7	-160.5	0	0	112.2	D16 Q17 F23 N24	D16-E20 WeakPolarHBondContact O-CB 3.43Å; D16-E20 PolarHBondContact O-N 3.39Å; Q17-E20 PolarHBondContact O-N 3.05Å; E20-F23 PolarHBondContact O-N 2.99Å; E20-N24 WeakPolarHBondContact O-CB 3.46Å; E20-N24 PolarHBondContact O-N 3.47Å; E20-N24 PolarHBondContact O-ND2 2.86Å; E20-N24 VanDerWaalsContact O-ND2 3.16Å
21	E	43.4	Very low	39.1	Very low	129 Å²	129	104.9 Å²	104.9	60%	0.603	54%	0.54	S	S	*	.	H	α-helix	trans	-61.1	-48.8	172.5	-78.2	-179.3	168.1	0	0	112.2	Q17 R18 F19 F23 N24 Q25	Q17-E21 PolarHBondContact O-N 3.44Å; R18-E21 PolarHBondContact O-N 3.19Å; F19-E21 PolarHBondContact O-N 3.32Å; E21-F23 VanDerWaalsContact C-N 3.31Å; E21-F23 PolarHBondContact O-N 2.99Å; E21-N24 PolarHBondContact O-N 3.33Å; E21-Q25 WeakPolarHBondContact O-CB 3.47Å; E21-Q25 PolarHBondContact O-N 3.21Å
22	T	42.8	Very low	40	Very low	72 Å²	72	103 Å²	103	44%	0.442	54%	0.539	S	S	.	.	H	α-helix	trans	-63.5	-36.1	177.4	42.5	0	0	0	0	112.8	R18 F19 Q25 I26	R18-T22 PolarHBondContact O-N 3.06Å; R18-T22 PolarHBondContact O-OG1 3.01Å; F19-T22 WeakPolarHBondContact CA-OG1 3.47Å; F19-T22 PolarHBondContact O-N 3.22Å; F19-T22 PolarHBondContact O-OG1 2.75Å; T22-Q25 PolarHBondContact O-N 3.29Å; T22-I26 VanDerWaalsContact O-CG1 3.26Å; T22-I26 WeakPolarHBondContact O-CG1 3.29Å; T22-I26 PolarHBondContact O-N 3.38Å
23	F	40.5	Very low	40.5	Very low	64 Å²	64	102.6 Å²	102.6	28%	0.281	53%	0.532	S	S	.	.	H	α-helix	trans	-64.5	-50.3	175.7	179.8	-97.9	0	0	0	111.3	F19 E20 E21 Q25 I26 Y27 M127	F19-F23 WeakPolarHBondContact O-CB 3.36Å; F19-F23 PolarHBondContact O-N 3.13Å; E20-F23 PolarHBondContact O-N 2.99Å; E21-F23 VanDerWaalsContact C-N 3.31Å; E21-F23 PolarHBondContact O-N 2.99Å; F23-Q25 VanDerWaalsContact C-N 3.25Å; F23-Q25 PolarHBondContact O-N 3.47Å; F23-I26 PolarHBondContact O-N 2.95Å; F23-Y27 WeakPolarHBondContact O-CB 3.48Å; F23-Y27 PolarHBondContact O-N 3.31Å; F23-M127 HydrophobicContact CE2-CE 3.5Å; F23-M127 HydrophobicContact CE2-SD 3.54Å; F23-M127 VanDerWaalsContact CE2-SD 3.54Å; F23-M127 HydrophobicContact CZ-CE 3.55Å; F23-M127 HydrophobicContact CZ-SD 4.24Å
24	N	40.1	Very low	40.9	Very low	74 Å²	74	102.9 Å²	102.9	40%	0.396	51%	0.507	S	S	.	.	H	α-helix	trans	-60	-37.2	177.9	-77	-34.7	0	0	0	111.7	E20 E21 Y27 H28	E20-N24 WeakPolarHBondContact O-CB 3.46Å; E20-N24 PolarHBondContact O-N 3.47Å; E20-N24 PolarHBondContact O-ND2 2.86Å; E20-N24 VanDerWaalsContact O-ND2 3.16Å; E21-N24 PolarHBondContact O-N 3.33Å; N24-Y27 PolarHBondContact O-N 3.49Å; N24-H28 WeakPolarHBondContact O-CB 3.04Å; N24-H28 PolarHBondContact O-CD2 2.99Å; N24-H28 VanDerWaalsContact O-CD2 3.32Å; N24-H28 PolarHBondContact O-N 2.85Å
25	Q	47.4	Very low	41.2	Very low	131 Å²	131	103.1 Å²	103.1	61%	0.612	49%	0.493	S	S	*	.	H	α-helix	trans	-70	-40.5	178.9	-153.8	168.2	26.9	0	0	112.6	E21 T22 F23 N29	E21-Q25 WeakPolarHBondContact O-CB 3.47Å; E21-Q25 PolarHBondContact O-N 3.21Å; T22-Q25 PolarHBondContact O-N 3.29Å; F23-Q25 VanDerWaalsContact C-N 3.25Å; F23-Q25 PolarHBondContact O-N 3.47Å; Q25-N29 WeakPolarHBondContact O-CB 3.41Å; Q25-N29 PolarHBondContact O-N 3.25Å
26	I	40.4	Very low	41.5	Very low	76 Å²	76	104 Å²	104	39%	0.39	50%	0.5	S	S	.	.	H	α-helix	trans	-65.5	-41.9	174.5	-68.2	166.5	0	0	0	110.7	T22 F23 N29 S30	T22-I26 VanDerWaalsContact O-CG1 3.26Å; T22-I26 WeakPolarHBondContact O-CG1 3.29Å; T22-I26 PolarHBondContact O-N 3.38Å; F23-I26 PolarHBondContact O-N 2.95Å; I26-N29 PolarHBondContact O-N 3.45Å; I26-S30 WeakPolarHBondContact O-CB 3.46Å; I26-S30 PolarHBondContact O-N 3.19Å; I26-S30 PolarHBondContact O-OG 3.5Å
27	Y	40.4	Very low	41.5	Very low	89 Å²	89	101.2 Å²	101.2	35%	0.349	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-48.7	177.5	-178.2	-99.1	0	0	0	111.5	F23 N24 N29 S30 L31	F23-Y27 WeakPolarHBondContact O-CB 3.48Å; F23-Y27 PolarHBondContact O-N 3.31Å; N24-Y27 PolarHBondContact O-N 3.49Å; Y27-N29 PolarHBondContact O-N 2.92Å; Y27-S30 PolarHBondContact O-N 3.06Å; Y27-L31 PolarHBondContact O-N 3.48Å
28	H	44.8	Very low	41.3	Very low	119 Å²	119	97.3 Å²	97.3	55%	0.551	47%	0.467	S	S	*	.	H	α-helix	trans	-61.7	-40.3	178	-90.3	-65.6	0	0	0	113.2	N24 S30 L31 Q32	N24-H28 WeakPolarHBondContact O-CB 3.04Å; N24-H28 PolarHBondContact O-CD2 2.99Å; N24-H28 VanDerWaalsContact O-CD2 3.32Å; N24-H28 PolarHBondContact O-N 2.85Å; H28-S30 VanDerWaalsContact C-N 3.34Å; H28-L31 PolarHBondContact O-N 3.44Å; H28-Q32 WeakPolarHBondContact O-CB 3.44Å; H28-Q32 PolarHBondContact O-N 2.92Å
29	N	45.4	Very low	41.4	Very low	104 Å²	104	92.5 Å²	92.5	56%	0.556	46%	0.456	S	S	*	.	H	α-helix	trans	-65.3	-38	175.7	-82.4	-16.8	0	0	0	112.4	Q25 I26 Y27 Q32 N33	Q25-N29 WeakPolarHBondContact O-CB 3.41Å; Q25-N29 PolarHBondContact O-N 3.25Å; I26-N29 PolarHBondContact O-N 3.45Å; Y27-N29 PolarHBondContact O-N 2.92Å; N29-Q32 PolarHBondContact O-N 3.41Å; N29-N33 PolarHBondContact O-N 3.05Å
30	S	38.5	Very low	41.4	Very low	54 Å²	54	90.7 Å²	90.7	38%	0.378	46%	0.456	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177.1	-53.4	0	0	0	0	111.2	I26 Y27 H28 N33 Y34	I26-S30 WeakPolarHBondContact O-CB 3.46Å; I26-S30 PolarHBondContact O-N 3.19Å; I26-S30 PolarHBondContact O-OG 3.5Å; Y27-S30 PolarHBondContact O-N 3.06Å; H28-S30 VanDerWaalsContact C-N 3.34Å; S30-N33 PolarHBondContact O-N 3.37Å; S30-Y34 PolarHBondContact O-N 3.49Å
31	L	40	Very low	41.2	Very low	57 Å²	57	89.3 Å²	89.3	30%	0.298	45%	0.452	S	S	.	.	H	α-helix	trans	-67.6	-42.1	177.1	-154	79.6	0	0	0	111.9	Y27 H28 N33 Y34 Y35	Y27-L31 PolarHBondContact O-N 3.48Å; H28-L31 PolarHBondContact O-N 3.44Å; L31-N33 PolarHBondContact O-N 2.96Å; L31-Y34 WeakPolarHBondContact O-CB 3.42Å; L31-Y34 PolarHBondContact O-N 3.48Å; L31-Y35 HydrophobicContact CD1-CE2 4.5Å; L31-Y35 HydrophobicContact CD2-CE2 3.78Å; L31-Y35 HydrophobicContact CG-CD2 4.09Å; L31-Y35 HydrophobicContact CG-CE2 3.67Å; L31-Y35 WeakPolarHBondContact O-CD2 3.44Å; L31-Y35 PolarHBondContact O-N 3.37Å
32	Q	46.7	Very low	40.8	Very low	142 Å²	142	85.7 Å²	85.7	66%	0.664	44%	0.441	S	S	*	.	H	α-helix	trans	-58.8	-44.7	173.4	-87	-93.4	-28.6	0	0	112	H28 N29 Y34 Y35 S36	H28-Q32 WeakPolarHBondContact O-CB 3.44Å; H28-Q32 PolarHBondContact O-N 2.92Å; N29-Q32 PolarHBondContact O-N 3.41Å; Q32-Y34 VanDerWaalsContact C-N 3.35Å; Q32-Y34 PolarHBondContact O-N 3.22Å; Q32-Y35 PolarHBondContact O-N 2.98Å; Q32-S36 WeakPolarHBondContact O-CB 3.47Å; Q32-S36 PolarHBondContact O-N 3.42Å
33	N	42.3	Very low	40.4	Very low	108 Å²	108	89.2 Å²	89.2	58%	0.578	45%	0.45	S	S	*	.	H	α-helix	trans	-62.3	-41.7	175	-86.5	-19.1	0	0	0	112	N29 S30 L31 S36 I37	N29-N33 PolarHBondContact O-N 3.05Å; S30-N33 PolarHBondContact O-N 3.37Å; L31-N33 PolarHBondContact O-N 2.96Å; N33-S36 PolarHBondContact O-N 3.45Å; N33-I37 WeakPolarHBondContact O-CD1 3.24Å; N33-I37 VanDerWaalsContact O-CG1 3.24Å; N33-I37 WeakPolarHBondContact O-CG1 3.49Å; N33-I37 PolarHBondContact O-N 3.05Å
34	Y	39.8	Very low	40	Very low	92 Å²	92	90.2 Å²	90.2	36%	0.361	46%	0.464	S	S	.	.	H	α-helix	trans	-58.5	-49.5	175.1	177.3	-95.1	0	0	0	112.1	S30 L31 Q32 S36 I37 M38 F116	S30-Y34 PolarHBondContact O-N 3.49Å; L31-Y34 WeakPolarHBondContact O-CB 3.42Å; L31-Y34 PolarHBondContact O-N 3.48Å; Q32-Y34 VanDerWaalsContact C-N 3.35Å; Q32-Y34 PolarHBondContact O-N 3.22Å; Y34-S36 VanDerWaalsContact C-N 3.34Å; Y34-S36 PolarHBondContact O-N 2.93Å; Y34-I37 PolarHBondContact O-N 3.47Å; Y34-M38 HydrophobicContact CD1-CG 4.25Å; Y34-M38 HydrophobicContact CE1-CG 3.77Å; Y34-M38 HydrophobicContact CE2-CG 4.22Å; Y34-M38 WeakPolarHBondContact O-CG 3.44Å; Y34-M38 PolarHBondContact O-N 3.25Å; Y34-F116 AromaticContact CD2-CE2 3.79Å; Y34-F116 HydrophobicContact CD2-CE2 3.79Å; Y34-F116 AromaticContact CD2-CZ 3.98Å; Y34-F116 HydrophobicContact CD2-CZ 3.98Å; Y34-F116 HydrophobicContact CE2-CE2 4.04Å; Y34-F116 AromaticContact CE2-CZ 3.94Å; Y34-F116 HydrophobicContact CE2-CZ 3.94Å
35	Y	41.2	Very low	39.5	Very low	103 Å²	103	90.5 Å²	90.5	40%	0.404	47%	0.469	S	S	.	.	H	α-helix	trans	-64.8	-36.1	177.8	-75.3	-65.6	0	0	0	112.6	L31 Q32 M38 N39	L31-Y35 HydrophobicContact CD1-CE2 4.5Å; L31-Y35 HydrophobicContact CD2-CE2 3.78Å; L31-Y35 HydrophobicContact CG-CD2 4.09Å; L31-Y35 HydrophobicContact CG-CE2 3.67Å; L31-Y35 WeakPolarHBondContact O-CD2 3.44Å; L31-Y35 PolarHBondContact O-N 3.37Å; Q32-Y35 PolarHBondContact O-N 2.98Å; Y35-M38 PolarHBondContact O-N 3.06Å; Y35-N39 WeakPolarHBondContact O-CB 3.35Å; Y35-N39 PolarHBondContact O-N 3.05Å
36	S	41.5	Very low	38.7	Very low	69 Å²	69	87.6 Å²	87.6	48%	0.483	46%	0.46	S	S	.	.	H	α-helix	trans	-63.3	-42	174.1	-175.5	0	0	0	0	112.1	Q32 N33 Y34 N39 S40	Q32-S36 WeakPolarHBondContact O-CB 3.47Å; Q32-S36 PolarHBondContact O-N 3.42Å; N33-S36 PolarHBondContact O-N 3.45Å; Y34-S36 VanDerWaalsContact C-N 3.34Å; Y34-S36 PolarHBondContact O-N 2.93Å; S36-N39 PolarHBondContact O-N 2.78Å; S36-S40 WeakPolarHBondContact O-CB 3.41Å; S36-S40 PolarHBondContact O-N 2.83Å; S36-S40 PolarHBondContact O-OG 2.87Å
37	I	39.3	Very low	38.1	Very low	72 Å²	72	89.3 Å²	89.3	37%	0.369	47%	0.47	S	S	.	.	H	α-helix	trans	-66.7	-44.6	176.3	-67.1	164.2	0	0	0	110.3	N33 Y34 N39 S40 L41	N33-I37 WeakPolarHBondContact O-CD1 3.24Å; N33-I37 VanDerWaalsContact O-CG1 3.24Å; N33-I37 WeakPolarHBondContact O-CG1 3.49Å; N33-I37 PolarHBondContact O-N 3.05Å; Y34-I37 PolarHBondContact O-N 3.47Å; I37-N39 PolarHBondContact O-N 2.95Å; I37-S40 WeakPolarHBondContact O-CB 3.15Å; I37-S40 PolarHBondContact O-N 3.03Å; I37-S40 VanDerWaalsContact O-N 3.13Å; I37-L41 HydrophobicContact CG2-CD1 3.79Å; I37-L41 WeakPolarHBondContact O-CD1 3.26Å; I37-L41 PolarHBondContact O-N 3.48Å
38	M	37	Very low	37.7	Very low	67 Å²	67	88.5 Å²	88.5	33%	0.33	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-39.4	176.6	-77.2	-65.2	-71.1	0	0	112.6	Y34 Y35 S40 L41 S42	Y34-M38 HydrophobicContact CD1-CG 4.25Å; Y34-M38 HydrophobicContact CE1-CG 3.77Å; Y34-M38 HydrophobicContact CE2-CG 4.22Å; Y34-M38 WeakPolarHBondContact O-CG 3.44Å; Y34-M38 PolarHBondContact O-N 3.25Å; Y35-M38 PolarHBondContact O-N 3.06Å; M38-S40 VanDerWaalsContact C-N 3.3Å; M38-S40 PolarHBondContact O-N 3.37Å; M38-L41 PolarHBondContact O-N 3.32Å; M38-S42 VanDerWaalsContact O-CB 3.3Å; M38-S42 WeakPolarHBondContact O-CB 3.43Å; M38-S42 PolarHBondContact O-N 2.91Å
39	N	41.6	Very low	36.9	Very low	103 Å²	103	89.6 Å²	89.6	55%	0.551	48%	0.482	S	S	*	.	H	α-helix	trans	-66.1	-33	173	-86	-18.3	0	0	0	112.4	Y35 S36 I37 K43	Y35-N39 WeakPolarHBondContact O-CB 3.35Å; Y35-N39 PolarHBondContact O-N 3.05Å; S36-N39 PolarHBondContact O-N 2.78Å; I37-N39 PolarHBondContact O-N 2.95Å; N39-K43 WeakPolarHBondContact O-CG 3.41Å; N39-K43 PolarHBondContact O-N 3.46Å
40	S	38	Very low	36	Very low	64 Å²	64	86.7 Å²	86.7	45%	0.448	47%	0.47	S	S	.	.	H	α-helix	trans	-69.9	-41.8	174.7	-55.3	0	0	0	0	111.2	S36 I37 M38 K43 C44	S36-S40 WeakPolarHBondContact O-CB 3.41Å; S36-S40 PolarHBondContact O-N 2.83Å; S36-S40 PolarHBondContact O-OG 2.87Å; I37-S40 WeakPolarHBondContact O-CB 3.15Å; I37-S40 PolarHBondContact O-N 3.03Å; I37-S40 VanDerWaalsContact O-N 3.13Å; M38-S40 VanDerWaalsContact C-N 3.3Å; M38-S40 PolarHBondContact O-N 3.37Å; S40-K43 PolarHBondContact O-N 3.23Å; S40-C44 PolarHBondContact O-N 3Å; S40-C44 VanDerWaalsContact O-N 3.14Å; S40-C44 PolarHBondContact O-SG 3.41Å; S40-C44 VanDerWaalsContact O-SG 3.35Å
41	L	34.7	Very low	35.6	Very low	86 Å²	86	88.2 Å²	88.2	45%	0.45	48%	0.477	S	S	.	.	H	α-helix	trans	-65.3	-40.2	172.2	-96.8	103.8	0	0	0	112.2	I37 M38 K43 C44 T45	I37-L41 HydrophobicContact CG2-CD1 3.79Å; I37-L41 WeakPolarHBondContact O-CD1 3.26Å; I37-L41 PolarHBondContact O-N 3.48Å; M38-L41 PolarHBondContact O-N 3.32Å; L41-K43 VanDerWaalsContact C-N 3.33Å; L41-K43 PolarHBondContact O-N 3.36Å; L41-C44 CarbonylContact O-C 3.03Å; L41-C44 WeakPolarHBondContact O-CA 3.38Å; L41-C44 WeakPolarHBondContact O-CB 3.46Å; L41-C44 PolarHBondContact O-N 2.97Å; L41-T45 PolarHBondContact O-N 2.66Å; L41-T45 PolarHBondContact O-OG1 3.32Å
42	S	34	Very low	35.1	Very low	53 Å²	53	92.6 Å²	92.6	37%	0.371	50%	0.501	S	S	.	.	H	α-helix	trans	-58.8	-43.5	174.3	161.8	0	0	0	0	111.3	M38 C44 T45 T46	M38-S42 VanDerWaalsContact O-CB 3.3Å; M38-S42 WeakPolarHBondContact O-CB 3.43Å; M38-S42 PolarHBondContact O-N 2.91Å; S42-C44 VanDerWaalsContact C-N 3.28Å; S42-C44 PolarHBondContact O-N 3.22Å; S42-T45 WeakPolarHBondContact CA-OG1 3.42Å; S42-T45 PolarHBondContact O-N 3.27Å; S42-T45 VanDerWaalsContact O-N 3.16Å; S42-T45 PolarHBondContact O-OG1 2.91Å; S42-T46 WeakPolarHBondContact O-CG2 3.44Å; S42-T46 PolarHBondContact O-N 3.23Å; S42-T46 PolarHBondContact O-OG1 3.33Å
43	K	35.4	Very low	34.2	Very low	146 Å²	146	89.9 Å²	89.9	64%	0.635	50%	0.497	S	S	*	.	H	α-helix	trans	-61.5	-35.5	173	-78.1	177.1	178.4	179.8	0	112.6	N39 S40 L41 T46 L47	N39-K43 WeakPolarHBondContact O-CG 3.41Å; N39-K43 PolarHBondContact O-N 3.46Å; S40-K43 PolarHBondContact O-N 3.23Å; L41-K43 VanDerWaalsContact C-N 3.33Å; L41-K43 PolarHBondContact O-N 3.36Å; K43-T46 PolarHBondContact O-OG1 3.47Å; K43-L47 WeakPolarHBondContact O-CD1 3.25Å; K43-L47 WeakPolarHBondContact O-CG 3.49Å; K43-L47 PolarHBondContact O-N 3.16Å
44	C	30.5	Very low	33.4	Very low	86 Å²	86	92.4 Å²	92.4	58%	0.581	51%	0.506	S	S	*	.	H	α-helix	trans	-70.3	-34.9	174.6	-65.9	0	0	0	0	112.3	S40 L41 S42 S48	S40-C44 PolarHBondContact O-N 3Å; S40-C44 VanDerWaalsContact O-N 3.14Å; S40-C44 PolarHBondContact O-SG 3.41Å; S40-C44 VanDerWaalsContact O-SG 3.35Å; L41-C44 CarbonylContact O-C 3.03Å; L41-C44 WeakPolarHBondContact O-CA 3.38Å; L41-C44 WeakPolarHBondContact O-CB 3.46Å; L41-C44 PolarHBondContact O-N 2.97Å; S42-C44 VanDerWaalsContact C-N 3.28Å; S42-C44 PolarHBondContact O-N 3.22Å; C44-S48 PolarHBondContact O-N 3.33Å
45	T	30.1	Very low	32.7	Very low	80 Å²	80	95.5 Å²	95.5	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-75.6	-35.7	174.8	50.4	0	0	0	0	112.5	L41 S42 L47 S48 E49	L41-T45 PolarHBondContact O-N 2.66Å; L41-T45 PolarHBondContact O-OG1 3.32Å; S42-T45 WeakPolarHBondContact CA-OG1 3.42Å; S42-T45 PolarHBondContact O-N 3.27Å; S42-T45 VanDerWaalsContact O-N 3.16Å; S42-T45 PolarHBondContact O-OG1 2.91Å; T45-L47 VanDerWaalsContact C-N 3.28Å; T45-L47 PolarHBondContact O-N 2.83Å; T45-S48 WeakPolarHBondContact O-CA 3.31Å; T45-S48 WeakPolarHBondContact O-CB 3.37Å; T45-S48 PolarHBondContact O-N 3.49Å; T45-S48 PolarHBondContact O-OG 3.48Å; T45-E49 PolarHBondContact O-N 3.38Å
46	T	30	Very low	31.9	Very low	70 Å²	70	95.3 Å²	95.3	43%	0.429	54%	0.541	S	S	.	.	H	α-helix	trans	-71.1	-26	174.4	58.9	0	0	0	0	112.2	S42 K43 S48 E49 S50	S42-T46 WeakPolarHBondContact O-CG2 3.44Å; S42-T46 PolarHBondContact O-N 3.23Å; S42-T46 PolarHBondContact O-OG1 3.33Å; K43-T46 PolarHBondContact O-OG1 3.47Å; T46-S48 PolarHBondContact O-N 3.47Å; T46-E49 PolarHBondContact O-N 3.47Å; T46-S50 VanDerWaalsContact O-CB 3.29Å; T46-S50 WeakPolarHBondContact O-CB 3.26Å; T46-S50 PolarHBondContact O-N 3.49Å; T46-S50 PolarHBondContact O-OG 3.14Å
47	L	29.8	Very low	30.9	Very low	112 Å²	112	100.8 Å²	100.8	59%	0.586	56%	0.556	S	S	*	*	H	α-helix	trans	-61.3	-34.6	166.6	-81.4	161.7	0	0	0	111.6	K43 T45 S50	K43-L47 WeakPolarHBondContact O-CD1 3.25Å; K43-L47 WeakPolarHBondContact O-CG 3.49Å; K43-L47 PolarHBondContact O-N 3.16Å; T45-L47 VanDerWaalsContact C-N 3.28Å; T45-L47 PolarHBondContact O-N 2.83Å; L47-S50 WeakPolarHBondContact CA-OG 3.47Å; L47-S50 PolarHBondContact O-OG 3.28Å
48	S	31.1	Very low	30.1	Very low	72 Å²	72	105.3 Å²	105.3	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-73.2	-27	174.9	70.5	0	0	0	0	114.6	C44 T45 T46 T51	C44-S48 PolarHBondContact O-N 3.33Å; T45-S48 WeakPolarHBondContact O-CA 3.31Å; T45-S48 WeakPolarHBondContact O-CB 3.37Å; T45-S48 PolarHBondContact O-N 3.49Å; T45-S48 PolarHBondContact O-OG 3.48Å; T46-S48 PolarHBondContact O-N 3.47Å; S48-T51 PolarHBondContact O-OG1 3.4Å
49	E	27.2	Very low	29.5	Very low	142 Å²	142	106.7 Å²	106.7	66%	0.664	60%	0.597	S	S	*	*	H	α-helix	trans	-87.5	-22.4	173.4	-70.2	-177.6	172.3	0	0	112.8	T45 T46 T51 D52 S53	T45-E49 PolarHBondContact O-N 3.38Å; T46-E49 PolarHBondContact O-N 3.47Å; E49-T51 VanDerWaalsContact C-N 3.33Å; E49-T51 PolarHBondContact O-N 3.47Å; E49-D52 PolarHBondContact O-N 3.48Å; E49-S53 PolarHBondContact O-N 3.41Å; E49-S53 PolarHBondContact O-OG 2.91Å
50	S	27.7	Very low	28.6	Very low	43 Å²	43	109 Å²	109	30%	0.301	61%	0.609	S	S	.	*	H	α-helix	trans	-73.6	-22.9	178.7	70.9	0	0	0	0	113.4	T46 L47 Q54	T46-S50 VanDerWaalsContact O-CB 3.29Å; T46-S50 WeakPolarHBondContact O-CB 3.26Å; T46-S50 PolarHBondContact O-N 3.49Å; T46-S50 PolarHBondContact O-OG 3.14Å; L47-S50 WeakPolarHBondContact CA-OG 3.47Å; L47-S50 PolarHBondContact O-OG 3.28Å; S50-Q54 WeakPolarHBondContact O-CB 3.47Å; S50-Q54 WeakPolarHBondContact O-CG 3.39Å; S50-Q54 PolarHBondContact O-N 3.34Å
51	T	29.9	Very low	27.8	Very low	86 Å²	86	113.4 Å²	113.4	53%	0.528	63%	0.627	S	S	.	*	H	α-helix	trans	-79.8	-25.8	175.4	50.5	0	0	0	0	113.1	S48 E49	S48-T51 PolarHBondContact O-OG1 3.4Å; E49-T51 VanDerWaalsContact C-N 3.33Å; E49-T51 PolarHBondContact O-N 3.47Å
52	D	28.6	Very low	27.2	Very low	149 Å²	149	115.8 Å²	115.8	80%	0.797	65%	0.646	S	S	*	*	H	α-helix	trans	-81.5	-16.6	174.2	-83.6	-6.3	0	0	0	112.9	E49	E49-D52 PolarHBondContact O-N 3.48Å
53	S	27.9	Very low	26.6	Very low	84 Å²	84	117.5 Å²	117.5	59%	0.587	66%	0.658	S	S	*	*	H	α-helix	trans	-104	-13.4	179	51.9	0	0	0	0	115.2	E49	E49-S53 PolarHBondContact O-N 3.41Å; E49-S53 PolarHBondContact O-OG 2.91Å
54	Q	26.7	Very low	25.9	Very low	161 Å²	161	116.4 Å²	116.4	75%	0.752	66%	0.663	S	S	*	*	S	Bend	trans	-98.5	-3.1	178.9	-71.4	-143.6	-13.4	0	0	115.9	S50	S50-Q54 WeakPolarHBondContact O-CB 3.47Å; S50-Q54 WeakPolarHBondContact O-CG 3.39Å; S50-Q54 PolarHBondContact O-N 3.34Å
55	L	25.2	Very low	25.3	Very low	158 Å²	158	118 Å²	118	83%	0.827	67%	0.671	S	S	*	*	S	Bend	trans	-90.5	3.7	176.1	-77.9	170.6	0	0	0	114.9
56	C	23.1	Very low	24.9	Very low	99 Å²	99	120.1 Å²	120.1	67%	0.669	68%	0.683	S	S	*	*	S	Bend	trans	-115	118.8	168	-71.6	0	0	0	0	109.6
57	F	22	Very low	24.4	Very low	183 Å²	183	122.8 Å²	122.8	80%	0.803	70%	0.7	S	S	*	*			trans	80.3	78.3	174.7	-68.6	-87.8	0	0	0	117.9
58	N	22.6	Very low	24	Very low	167 Å²	167	123.7 Å²	123.7	89%	0.893	71%	0.71	S	S	*	*			trans	-146	59.5	137.7	-90.7	-31.9	0	0	0	109.4
59	S	24.1	Very low	23.5	Very low	96 Å²	96	125.9 Å²	125.9	67%	0.671	72%	0.72	S	S	*	*			trans	-84.3	115.3	157.1	40.9	0	0	0	0	108.1	L61	S59-L61 PolarHBondContact O-N 3.16Å
60	N	22.4	Very low	23.1	Very low	151 Å²	151	124.6 Å²	124.6	81%	0.807	72%	0.723	S	S	*	*			trans	-45	114.9	175.5	-62.9	-47.4	0	0	0	112.6
61	L	22	Very low	22.9	Very low	158 Å²	158	130.5 Å²	130.5	83%	0.827	75%	0.751	S	S	*	*			trans	-128	80.9	155.7	-94.9	150.5	0	0	0	107.9	S59 S63	S59-L61 PolarHBondContact O-N 3.16Å; L61-S63 PolarHBondContact O-N 3.35Å
62	T	20.9	Very low	22.4	Very low	136 Å²	136	130.8 Å²	130.8	83%	0.834	76%	0.762	S	S	*	*			trans	-67.3	101.6	159.5	41.5	0	0	0	0	109
63	S	22	Very low	22.1	Very low	89 Å²	89	129.9 Å²	129.9	62%	0.622	76%	0.762	S	S	*	*			trans	-155.8	94.4	156.9	51	0	0	0	0	109.7	L61	L61-S63 PolarHBondContact O-N 3.35Å
64	T	20.1	Very low	21.8	Very low	123 Å²	123	134.6 Å²	134.6	76%	0.755	78%	0.775	S	S	*	*			trans	7.1	131.8	143.1	45.6	0	0	0	0	119.5
65	T	19.1	Very low	21.7	Very low	120 Å²	120	134.4 Å²	134.4	74%	0.736	78%	0.777	S	S	*	*			trans	84.2	129.1	137.3	47.9	0	0	0	0	121.6
66	T	21.6	Very low	21.9	Very low	123 Å²	123	134.1 Å²	134.1	76%	0.755	78%	0.776	S	S	*	*			trans	81.1	103	148.3	49.8	0	0	0	0	120.2
67	T	17.8	Very low	22	Very low	127 Å²	127	137 Å²	137	78%	0.779	78%	0.78	S	S	*	*			trans	-4.4	121.8	138.8	49.3	0	0	0	0	117.3
68	T	22.6	Very low	22.4	Very low	130 Å²	130	135.8 Å²	135.8	80%	0.798	78%	0.782	S	S	*	*				178.5	119.6	126.8	33	0	0	0	0	111.5
69	T	20.3	Very low	22.8	Very low	118 Å²	118	134.9 Å²	134.9	72%	0.724	78%	0.783	S	S	*	*			trans	28	124	141.2	52.9	0	0	0	0	122.2
70	T	19.1	Very low	23.3	Very low	116 Å²	116	135.7 Å²	135.7	71%	0.712	78%	0.784	S	S	*	*			trans	59.3	110.7	137.1	60.3	0	0	0	0	119.7
71	N	24	Very low	24	Very low	166 Å²	166	136.8 Å²	136.8	89%	0.888	78%	0.782	S	S	*	*				174.7	141.6	118.5	-85.4	-23.2	0	0	0	111.9
72	A	17.9	Very low	24.7	Very low	92 Å²	92	136 Å²	136	76%	0.76	78%	0.778	S	S	*	*			trans	-93.2	133.4	-179	0	0	0	0	0	111.4
73	T	22.1	Very low	25.4	Very low	131 Å²	131	134.1 Å²	134.1	80%	0.804	76%	0.763	S	S	*	*			trans	-172.1	134.5	154.2	33.4	0	0	0	0	113.9
74	Q	23.5	Very low	26.1	Very low	183 Å²	183	134.6 Å²	134.6	86%	0.855	76%	0.758	S	S	*	*			trans	71.7	104.5	140	-66.4	-177.4	-5.3	0	0	123.5
75	I	23.7	Very low	26.9	Very low	156 Å²	156	132.7 Å²	132.7	80%	0.8	75%	0.75	S	S	*	*			trans	-9.5	134.2	137.6	-54.6	164.8	0	0	0	117.3	E77	I75-E77 HydrophobicContact CG2-CG 4.43Å
76	N	29.1	Very low	27.8	Very low	152 Å²	152	129.6 Å²	129.6	81%	0.813	73%	0.733	S	S	*	*			trans	-146.7	124.6	156.7	-165.3	2.7	0	0	0	110.8
77	E	25.9	Very low	28.5	Very low	160 Å²	160	128.4 Å²	128.4	75%	0.748	72%	0.721	S	S	*	*			trans	-98.1	123.5	-179.6	-62.9	174.1	164.3	0	0	108.6	I75	I75-E77 HydrophobicContact CG2-CG 4.43Å
78	N	30.9	Very low	29.4	Very low	158 Å²	158	128.5 Å²	128.5	85%	0.845	71%	0.713	S	S	*	*			trans	179.1	90	158.6	-87.7	-31.3	0	0	0	110.7
79	T	30.3	Very low	30.1	Very low	147 Å²	147	125.9 Å²	125.9	90%	0.902	70%	0.696	S	S	*	*			trans	-133.6	134.6	161.5	45.7	0	0	0	0	110.3
80	T	34.1	Very low	31	Very low	114 Å²	114	125 Å²	125	70%	0.699	69%	0.687	S	S	*	*			trans	-91.9	148	-155	41.5	0	0	0	0	114.3	N82	T80-N82 PolarHBondContact O-N 3.47Å
81	F	36.7	Very low	31.8	Very low	173 Å²	173	124.5 Å²	124.5	76%	0.759	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-5	-169.2	-158.1	-102.8	0	0	0	118.5	I84	F81-I84 HydrophobicContact CD2-CD1 4.15Å; F81-I84 HydrophobicContact CE2-CD1 4.39Å
82	N	37.7	Very low	32.5	Very low	141 Å²	141	121.5 Å²	121.5	75%	0.754	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-16.5	-176	-80.1	-13.1	0	0	0	114.2	T80	T80-N82 PolarHBondContact O-N 3.47Å
83	D	35.1	Very low	33.5	Very low	98 Å²	98	121.6 Å²	121.6	52%	0.524	65%	0.65	S	S	.	*	S	Bend	trans	-80.8	-21.2	-179.1	-66.3	-31.5	0	0	0	112.9	S85 S86 I87	D83-S85 PolarHBondContact O-N 3.07Å; D83-S86 PolarHBondContact O-N 3.14Å; D83-S86 PolarHBondContact O-OG 3.44Å; D83-I87 WeakPolarHBondContact O-CG1 3.47Å; D83-I87 PolarHBondContact O-N 3.4Å; D83-I87 VanDerWaalsContact O-N 3.12Å
84	I	36.3	Very low	34.2	Very low	98 Å²	98	118.2 Å²	118.2	50%	0.503	63%	0.632	S	S	.	*	H	α-helix	trans	-64.6	-38.8	-174.5	-58.1	178.5	0	0	0	111.7	F81 S86 I87 E88	F81-I84 HydrophobicContact CD2-CD1 4.15Å; F81-I84 HydrophobicContact CE2-CD1 4.39Å; I84-S86 VanDerWaalsContact C-N 3.31Å; I84-S86 PolarHBondContact O-N 3.01Å; I84-I87 PolarHBondContact O-N 2.85Å; I84-E88 PolarHBondContact O-N 3.41Å
85	S	36.8	Very low	34.7	Very low	84 Å²	84	114.4 Å²	114.4	59%	0.587	62%	0.617	S	S	*	*	H	α-helix	trans	-69	-29.9	179.8	-170.6	0	0	0	0	112.7	D83 T89	D83-S85 PolarHBondContact O-N 3.07Å; S85-T89 PolarHBondContact O-N 3.26Å; S85-T89 PolarHBondContact O-OG1 2.88Å
86	S	38.9	Very low	35.5	Very low	55 Å²	55	113.3 Å²	113.3	39%	0.385	61%	0.607	S	S	.	*	H	α-helix	trans	-73.7	-35.7	174.4	79.7	0	0	0	0	112.2	D83 I84 T89 N90	D83-S86 PolarHBondContact O-N 3.14Å; D83-S86 PolarHBondContact O-OG 3.44Å; I84-S86 VanDerWaalsContact C-N 3.31Å; I84-S86 PolarHBondContact O-N 3.01Å; S86-T89 PolarHBondContact O-OG1 3.35Å; S86-N90 WeakPolarHBondContact O-CB 3.33Å; S86-N90 VanDerWaalsContact O-CG 3.29Å; S86-N90 PolarHBondContact O-N 3.48Å; S86-N90 VanDerWaalsContact O-N 3.14Å; S86-N90 PolarHBondContact O-ND2 3.34Å; S86-N90 VanDerWaalsContact O-ND2 3.13Å
87	I	36.5	Very low	35.9	Very low	97 Å²	97	112.3 Å²	112.3	50%	0.497	60%	0.597	S	S	.	*	H	α-helix	trans	-67.8	-43.1	178	-65.8	164.8	0	0	0	110.1	D83 I84 T89 N90 L91	D83-I87 WeakPolarHBondContact O-CG1 3.47Å; D83-I87 PolarHBondContact O-N 3.4Å; D83-I87 VanDerWaalsContact O-N 3.12Å; I84-I87 PolarHBondContact O-N 2.85Å; I87-T89 PolarHBondContact O-N 2.82Å; I87-N90 PolarHBondContact O-N 2.79Å; I87-L91 WeakPolarHBondContact O-CB 3.45Å; I87-L91 PolarHBondContact O-N 2.83Å
88	E	35.4	Very low	36.2	Very low	130 Å²	130	109.5 Å²	109.5	61%	0.607	59%	0.587	S	S	*	*	H	α-helix	trans	-65.1	-39.8	-177.8	-146.6	175.9	-165.4	0	0	112.1	I84 L91 I92	I84-E88 PolarHBondContact O-N 3.41Å; E88-L91 PolarHBondContact O-N 2.88Å; E88-I92 WeakPolarHBondContact O-CG1 3.46Å; E88-I92 PolarHBondContact O-N 3.03Å; E88-I92 VanDerWaalsContact O-N 3.16Å
89	T	38.1	Very low	36.4	Very low	75 Å²	75	105 Å²	105	46%	0.46	57%	0.568	S	S	.	*	H	α-helix	trans	-68.8	-37.5	176.1	46.7	0	0	0	0	112.5	S85 S86 I87 I92 N93	S85-T89 PolarHBondContact O-N 3.26Å; S85-T89 PolarHBondContact O-OG1 2.88Å; S86-T89 PolarHBondContact O-OG1 3.35Å; I87-T89 PolarHBondContact O-N 2.82Å; T89-I92 PolarHBondContact O-N 2.62Å; T89-N93 PolarHBondContact O-N 3.2Å; T89-N93 VanDerWaalsContact O-N 3.17Å
90	N	39.6	Very low	36.8	Very low	98 Å²	98	102 Å²	102	52%	0.524	55%	0.545	S	S	.	.	H	α-helix	trans	-69.1	-35.4	174.3	-73.3	-28	0	0	0	112.8	S86 I87 N93 S94	S86-N90 WeakPolarHBondContact O-CB 3.33Å; S86-N90 VanDerWaalsContact O-CG 3.29Å; S86-N90 PolarHBondContact O-N 3.48Å; S86-N90 VanDerWaalsContact O-N 3.14Å; S86-N90 PolarHBondContact O-ND2 3.34Å; S86-N90 VanDerWaalsContact O-ND2 3.13Å; I87-N90 PolarHBondContact O-N 2.79Å; N90-N93 PolarHBondContact O-N 2.93Å; N90-S94 WeakPolarHBondContact O-CB 3.32Å; N90-S94 PolarHBondContact O-N 2.99Å; N90-S94 PolarHBondContact O-OG 3.25Å
91	L	35.4	Very low	36.9	Very low	107 Å²	107	100.9 Å²	100.9	56%	0.56	53%	0.534	S	S	*	.	H	α-helix	trans	-65.7	-39.6	176.2	-140.1	83.7	0	0	0	111.7	I87 E88 N95	I87-L91 WeakPolarHBondContact O-CB 3.45Å; I87-L91 PolarHBondContact O-N 2.83Å; E88-L91 PolarHBondContact O-N 2.88Å; L91-N95 WeakPolarHBondContact O-CB 3.3Å; L91-N95 PolarHBondContact O-N 3.22Å; L91-N95 VanDerWaalsContact O-N 3.07Å; L91-N95 PolarHBondContact O-ND2 2.75Å
92	I	37.6	Very low	36.8	Very low	103 Å²	103	97.7 Å²	97.7	53%	0.528	53%	0.525	S	S	.	.	H	α-helix	trans	-67.9	-39.7	177.4	-67.1	168	0	0	0	111	E88 T89 K96	E88-I92 WeakPolarHBondContact O-CG1 3.46Å; E88-I92 PolarHBondContact O-N 3.03Å; E88-I92 VanDerWaalsContact O-N 3.16Å; T89-I92 PolarHBondContact O-N 2.62Å; I92-K96 PolarHBondContact O-N 3.22Å
93	N	39.1	Very low	36.7	Very low	94 Å²	94	98 Å²	98	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-68.8	-41.5	176.9	-78.7	-18.9	0	0	0	112.2	T89 N90 N95 K96 E97	T89-N93 PolarHBondContact O-N 3.2Å; T89-N93 VanDerWaalsContact O-N 3.17Å; N90-N93 PolarHBondContact O-N 2.93Å; N93-N95 VanDerWaalsContact C-N 3.34Å; N93-N95 PolarHBondContact O-N 3.15Å; N93-K96 WeakPolarHBondContact O-CB 3.48Å; N93-K96 PolarHBondContact O-N 3.3Å; N93-K96 VanDerWaalsContact O-N 3.13Å; N93-E97 PolarHBondContact O-N 3.39Å
94	S	37.3	Very low	36.7	Very low	60 Å²	60	99.7 Å²	99.7	42%	0.42	53%	0.527	S	S	.	.	H	α-helix	trans	-63	-40.6	177.5	-55.6	0	0	0	0	111.6	N90 K96 E97 L98	N90-S94 WeakPolarHBondContact O-CB 3.32Å; N90-S94 PolarHBondContact O-N 2.99Å; N90-S94 PolarHBondContact O-OG 3.25Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 3.49Å; S94-E97 PolarHBondContact O-N 3.44Å; S94-L98 WeakPolarHBondContact O-CD1 3.5Å; S94-L98 PolarHBondContact O-N 2.75Å
95	N	34.8	Very low	36.5	Very low	102 Å²	102	98.2 Å²	98.2	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-32.2	175	-80.5	-45.1	0	0	0	113.3	L91 N93 S99	L91-N95 WeakPolarHBondContact O-CB 3.3Å; L91-N95 PolarHBondContact O-N 3.22Å; L91-N95 VanDerWaalsContact O-N 3.07Å; L91-N95 PolarHBondContact O-ND2 2.75Å; N93-N95 VanDerWaalsContact C-N 3.34Å; N93-N95 PolarHBondContact O-N 3.15Å; N95-S99 PolarHBondContact O-N 2.94Å; N95-S99 VanDerWaalsContact O-N 3.09Å
96	K	39.3	Very low	36.4	Very low	133 Å²	133	100 Å²	100	58%	0.578	52%	0.519	S	S	*	.	H	α-helix	trans	-69.1	-41.5	172.6	-98.7	178.6	176.2	174.3	0	112.1	I92 N93 S94 S99 I100	I92-K96 PolarHBondContact O-N 3.22Å; N93-K96 WeakPolarHBondContact O-CB 3.48Å; N93-K96 PolarHBondContact O-N 3.3Å; N93-K96 VanDerWaalsContact O-N 3.13Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 3.49Å; K96-S99 PolarHBondContact O-N 3.19Å; K96-S99 PolarHBondContact O-OG 3.21Å; K96-I100 WeakPolarHBondContact O-CD1 3.44Å; K96-I100 VanDerWaalsContact O-CG1 3.26Å; K96-I100 WeakPolarHBondContact O-CG1 3.28Å; K96-I100 PolarHBondContact O-N 3.01Å; K96-I100 VanDerWaalsContact O-N 3.17Å
97	E	37.4	Very low	36	Very low	132 Å²	132	101.1 Å²	101.1	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-65.2	-40.2	175.5	-70.8	-170	164.3	0	0	111.6	N93 S94 S99 I100 I101	N93-E97 PolarHBondContact O-N 3.39Å; S94-E97 PolarHBondContact O-N 3.44Å; E97-S99 PolarHBondContact O-N 3.3Å; E97-I100 PolarHBondContact O-N 3.45Å; E97-I101 WeakPolarHBondContact O-CG1 3.4Å; E97-I101 PolarHBondContact O-N 3.03Å
98	L	33.3	Very low	35.9	Very low	101 Å²	101	101.1 Å²	101.1	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-38.5	173.7	-97.8	124.3	0	0	0	113.3	S94 I100 I101 N102	S94-L98 WeakPolarHBondContact O-CD1 3.5Å; S94-L98 PolarHBondContact O-N 2.75Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I101 PolarHBondContact O-N 2.97Å; L98-N102 PolarHBondContact O-N 3.46Å
99	S	33.8	Very low	35.6	Very low	64 Å²	64	99.1 Å²	99.1	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-68.8	-34.8	176.2	87.6	0	0	0	0	112	N95 K96 E97 E103	N95-S99 PolarHBondContact O-N 2.94Å; N95-S99 VanDerWaalsContact O-N 3.09Å; K96-S99 PolarHBondContact O-N 3.19Å; K96-S99 PolarHBondContact O-OG 3.21Å; E97-S99 PolarHBondContact O-N 3.3Å; S99-E103 PolarHBondContact O-N 3.24Å
100	I	39.6	Very low	35.4	Very low	83 Å²	83	99.7 Å²	99.7	43%	0.426	52%	0.518	S	S	.	.	H	α-helix	trans	-67.9	-42.2	176.1	-64.8	163.4	0	0	0	110.5	K96 E97 L98 E103 Q104	K96-I100 WeakPolarHBondContact O-CD1 3.44Å; K96-I100 VanDerWaalsContact O-CG1 3.26Å; K96-I100 WeakPolarHBondContact O-CG1 3.28Å; K96-I100 PolarHBondContact O-N 3.01Å; K96-I100 VanDerWaalsContact O-N 3.17Å; E97-I100 PolarHBondContact O-N 3.45Å; L98-I100 VanDerWaalsContact C-N 3.34Å; I100-E103 PolarHBondContact O-N 3.12Å; I100-Q104 WeakPolarHBondContact O-CG 3.32Å; I100-Q104 PolarHBondContact O-N 3.37Å
101	I	36.4	Very low	35.2	Very low	91 Å²	91	99 Å²	99	47%	0.467	52%	0.52	S	S	.	.	H	α-helix	trans	-66.3	-40.3	177.9	-65.7	165.8	0	0	0	111	E97 L98 Q104 N105	E97-I101 WeakPolarHBondContact O-CG1 3.4Å; E97-I101 PolarHBondContact O-N 3.03Å; L98-I101 PolarHBondContact O-N 2.97Å; I101-Q104 PolarHBondContact O-N 2.97Å; I101-N105 WeakPolarHBondContact O-CB 3.46Å; I101-N105 PolarHBondContact O-N 2.94Å
102	N	35.3	Very low	34.9	Very low	106 Å²	106	97.8 Å²	97.8	57%	0.567	51%	0.513	S	S	*	.	H	α-helix	trans	-65.7	-38.5	175.3	-93.6	-20.3	0	0	0	112.7	L98 Q104 E106	L98-N102 PolarHBondContact O-N 3.46Å; N102-Q104 VanDerWaalsContact C-N 3.32Å; N102-E106 PolarHBondContact O-N 3.43Å
103	E	35.1	Very low	34.8	Very low	147 Å²	147	102 Å²	102	69%	0.687	52%	0.523	S	S	*	.	H	α-helix	trans	-65.8	-33.4	172.4	-80.9	-172.7	160.9	0	0	112.5	S99 I100	S99-E103 PolarHBondContact O-N 3.24Å; I100-E103 PolarHBondContact O-N 3.12Å
104	Q	35.4	Very low	34.7	Very low	134 Å²	134	102.4 Å²	102.4	63%	0.626	52%	0.524	S	S	*	.	H	α-helix	trans	-76.9	-31.9	177.8	-73	-169.8	6.2	0	0	113.6	I100 I101 N102 P107	I100-Q104 WeakPolarHBondContact O-CG 3.32Å; I100-Q104 PolarHBondContact O-N 3.37Å; I101-Q104 PolarHBondContact O-N 2.97Å; N102-Q104 VanDerWaalsContact C-N 3.32Å; Q104-P107 VanDerWaalsContact O-CD 3.31Å; Q104-P107 WeakPolarHBondContact O-CD 3.5Å; Q104-P107 VanDerWaalsContact O-CG 3.26Å; Q104-P107 WeakPolarHBondContact O-CG 3.31Å
105	N	31.4	Very low	34.6	Very low	66 Å²	66	104.2 Å²	104.2	35%	0.353	53%	0.526	S	S	.	.	H	α-helix	trans	-89.6	-13.3	179.7	-73.6	-23.8	0	0	0	113.9	I101 P107 I108 N109	I101-N105 WeakPolarHBondContact O-CB 3.46Å; I101-N105 PolarHBondContact O-N 2.94Å; N105-P107 VanDerWaalsContact C-N 3.34Å; N105-I108 PolarHBondContact O-N 3.35Å; N105-N109 PolarHBondContact O-N 3.14Å
106	E	33.9	Very low	34.6	Very low	123 Å²	123	104.1 Å²	104.1	58%	0.575	52%	0.521	S	S	*	.	H	α-helix	trans	-49	-46.6	173.4	-140.2	-168.1	-169.8	0	0	113.3	N102 I108 N109 L110	N102-E106 PolarHBondContact O-N 3.43Å; E106-I108 VanDerWaalsContact C-N 3.32Å; E106-I108 PolarHBondContact O-N 3.39Å; E106-N109 PolarHBondContact O-N 2.95Å; E106-L110 HydrophobicContact CG-CD1 4.3Å; E106-L110 VanDerWaalsContact O-CB 3.31Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 WeakPolarHBondContact O-CD1 3.42Å; E106-L110 VanDerWaalsContact O-CG 3.31Å; E106-L110 WeakPolarHBondContact O-CG 3.46Å; E106-L110 PolarHBondContact O-N 3.34Å
107	P	31	Very low	34.5	Very low	78 Å²	78	104.5 Å²	104.5	51%	0.506	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-32.4	176.1	22.2	-34.3	0	0	0	113.9	Q104 N105 C111	Q104-P107 VanDerWaalsContact O-CD 3.31Å; Q104-P107 WeakPolarHBondContact O-CD 3.5Å; Q104-P107 VanDerWaalsContact O-CG 3.26Å; Q104-P107 WeakPolarHBondContact O-CG 3.31Å; N105-P107 VanDerWaalsContact C-N 3.34Å; P107-C111 VanDerWaalsContact O-CB 3.29Å; P107-C111 WeakPolarHBondContact O-CB 3.45Å; P107-C111 PolarHBondContact O-N 2.82Å
108	I	33.8	Very low	34.5	Very low	97 Å²	97	103.2 Å²	103.2	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-72.2	-45	176.7	-61.8	173.1	0	0	0	109.9	N105 E106 L110 C111 I112	N105-I108 PolarHBondContact O-N 3.35Å; E106-I108 VanDerWaalsContact C-N 3.32Å; E106-I108 PolarHBondContact O-N 3.39Å; I108-L110 VanDerWaalsContact C-N 3.33Å; I108-L110 PolarHBondContact O-N 2.82Å; I108-C111 WeakPolarHBondContact O-CB 3.31Å; I108-C111 PolarHBondContact O-N 3.16Å; I108-C111 VanDerWaalsContact O-N 3.14Å; I108-I112 HydrophobicContact CG2-CD1 4.03Å; I108-I112 WeakPolarHBondContact O-CG1 3.34Å; I108-I112 PolarHBondContact O-N 3.32Å
109	N	31	Very low	34.5	Very low	87 Å²	87	102 Å²	102	47%	0.465	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-34.9	177.1	-76.1	-33.8	0	0	0	112.6	N105 E106 R113	N105-N109 PolarHBondContact O-N 3.14Å; E106-N109 PolarHBondContact O-N 2.95Å; N109-R113 WeakPolarHBondContact O-CG 3.34Å; N109-R113 PolarHBondContact O-N 2.91Å; N109-R113 VanDerWaalsContact O-N 3.1Å
110	L	34	Very low	34.7	Very low	88 Å²	88	103.8 Å²	103.8	46%	0.461	51%	0.514	S	S	.	.	H	α-helix	trans	-63.6	-45.7	169.6	-80.1	158.2	0	0	0	110.8	E106 I108 I112 R113 D114	E106-L110 HydrophobicContact CG-CD1 4.3Å; E106-L110 VanDerWaalsContact O-CB 3.31Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 WeakPolarHBondContact O-CD1 3.42Å; E106-L110 VanDerWaalsContact O-CG 3.31Å; E106-L110 WeakPolarHBondContact O-CG 3.46Å; E106-L110 PolarHBondContact O-N 3.34Å; I108-L110 VanDerWaalsContact C-N 3.33Å; I108-L110 PolarHBondContact O-N 2.82Å; L110-I112 PolarHBondContact O-N 2.89Å; L110-R113 PolarHBondContact O-N 3.32Å; L110-D114 WeakPolarHBondContact O-CB 3.41Å; L110-D114 VanDerWaalsContact O-CG 3.28Å; L110-D114 PolarHBondContact O-N 2.75Å
111	C	34.3	Very low	34.5	Very low	83 Å²	83	103.1 Å²	103.1	56%	0.561	51%	0.51	S	S	*	.	H	α-helix	trans	-61.9	-40.3	178.5	-171.9	0	0	0	0	112.6	P107 I108 D114 Q115	P107-C111 VanDerWaalsContact O-CB 3.29Å; P107-C111 WeakPolarHBondContact O-CB 3.45Å; P107-C111 PolarHBondContact O-N 2.82Å; I108-C111 WeakPolarHBondContact O-CB 3.31Å; I108-C111 PolarHBondContact O-N 3.16Å; I108-C111 VanDerWaalsContact O-N 3.14Å; C111-D114 PolarHBondContact O-N 3.23Å; C111-Q115 WeakPolarHBondContact O-CB 3.38Å; C111-Q115 PolarHBondContact O-N 3.19Å
112	I	29.2	Very low	34.5	Very low	81 Å²	81	103.2 Å²	103.2	42%	0.415	51%	0.508	S	S	.	.	H	α-helix	trans	-67.3	-42.2	176.5	-64.5	166.1	0	0	0	111.1	I108 L110 D114 Q115 F116	I108-I112 HydrophobicContact CG2-CD1 4.03Å; I108-I112 WeakPolarHBondContact O-CG1 3.34Å; I108-I112 PolarHBondContact O-N 3.32Å; L110-I112 PolarHBondContact O-N 2.89Å; I112-D114 VanDerWaalsContact C-N 3.34Å; I112-Q115 PolarHBondContact O-N 3.36Å; I112-F116 WeakPolarHBondContact O-CB 3.26Å; I112-F116 PolarHBondContact O-N 3.43Å
113	R	35	Very low	34.5	Very low	193 Å²	193	101.6 Å²	101.6	73%	0.728	50%	0.495	S	S	*	.	H	α-helix	trans	-63.9	-40.2	175.8	-75.6	174.7	101.2	162.6	7.7	111.8	N109 L110 K117	N109-R113 WeakPolarHBondContact O-CG 3.34Å; N109-R113 PolarHBondContact O-N 2.91Å; N109-R113 VanDerWaalsContact O-N 3.1Å; L110-R113 PolarHBondContact O-N 3.32Å; R113-K117 VanDerWaalsContact O-CB 3.3Å; R113-K117 WeakPolarHBondContact O-CB 3.42Å; R113-K117 PolarHBondContact O-N 3.13Å
114	D	37	Very low	34.6	Very low	101 Å²	101	97.6 Å²	97.6	54%	0.54	48%	0.48	S	S	.	.	H	α-helix	trans	-68.6	-38.1	177.8	-72.1	-20.7	0	0	0	111.3	L110 C111 I112 K117 F118	L110-D114 WeakPolarHBondContact O-CB 3.41Å; L110-D114 VanDerWaalsContact O-CG 3.28Å; L110-D114 PolarHBondContact O-N 2.75Å; C111-D114 PolarHBondContact O-N 3.23Å; I112-D114 VanDerWaalsContact C-N 3.34Å; D114-K117 PolarHBondContact O-N 2.78Å; D114-F118 WeakPolarHBondContact O-CB 3.37Å; D114-F118 PolarHBondContact O-N 3.12Å
115	Q	36.4	Very low	34.6	Very low	98 Å²	98	94.9 Å²	94.9	46%	0.458	47%	0.47	S	S	.	.	H	α-helix	trans	-66.2	-44.3	174.4	-172.8	61.1	37.9	0	0	112.2	C111 I112 K117 F118 D119	C111-Q115 WeakPolarHBondContact O-CB 3.38Å; C111-Q115 PolarHBondContact O-N 3.19Å; I112-Q115 PolarHBondContact O-N 3.36Å; Q115-K117 VanDerWaalsContact C-N 3.3Å; Q115-K117 PolarHBondContact O-N 2.93Å; Q115-F118 WeakPolarHBondContact O-CA 3.46Å; Q115-F118 WeakPolarHBondContact O-CB 3.34Å; Q115-F118 PolarHBondContact O-N 3.18Å; Q115-F118 VanDerWaalsContact O-N 3.1Å; Q115-D119 PolarHBondContact NE2-OD1 2.8Å; Q115-D119 PolarHBondContact O-N 3.07Å
116	F	34.1	Very low	34.9	Very low	101 Å²	101	97.5 Å²	97.5	44%	0.443	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-40.8	176.7	-165.7	-91.4	0	0	0	111.8	Y34 I112 F118 D119 L120	Y34-F116 AromaticContact CD2-CE2 3.79Å; Y34-F116 HydrophobicContact CD2-CE2 3.79Å; Y34-F116 AromaticContact CD2-CZ 3.98Å; Y34-F116 HydrophobicContact CD2-CZ 3.98Å; Y34-F116 HydrophobicContact CE2-CE2 4.04Å; Y34-F116 AromaticContact CE2-CZ 3.94Å; Y34-F116 HydrophobicContact CE2-CZ 3.94Å; I112-F116 WeakPolarHBondContact O-CB 3.26Å; I112-F116 PolarHBondContact O-N 3.43Å; F116-F118 VanDerWaalsContact C-N 3.29Å; F116-F118 PolarHBondContact O-N 3.37Å; F116-D119 PolarHBondContact O-N 2.9Å; F116-L120 WeakPolarHBondContact O-CB 3.48Å; F116-L120 PolarHBondContact O-N 3.01Å
117	K	37.2	Very low	35	Very low	141 Å²	141	95 Å²	95	61%	0.613	47%	0.468	S	S	*	.	H	α-helix	trans	-62.8	-38.6	174.8	-161.9	179	-176.4	-172.8	0	111	R113 D114 Q115 I121	R113-K117 VanDerWaalsContact O-CB 3.3Å; R113-K117 WeakPolarHBondContact O-CB 3.42Å; R113-K117 PolarHBondContact O-N 3.13Å; D114-K117 PolarHBondContact O-N 2.78Å; Q115-K117 VanDerWaalsContact C-N 3.3Å; Q115-K117 PolarHBondContact O-N 2.93Å; K117-I121 HydrophobicContact CG-CD1 4.5Å; K117-I121 VanDerWaalsContact O-CD1 3.25Å; K117-I121 WeakPolarHBondContact O-CD1 3.5Å; K117-I121 WeakPolarHBondContact O-CG1 3.44Å; K117-I121 PolarHBondContact O-N 2.92Å
118	F	36.8	Very low	35.4	Very low	105 Å²	105	96.9 Å²	96.9	46%	0.461	47%	0.468	S	S	.	.	H	α-helix	trans	-65.6	-47.3	175.2	-178.3	-94.4	0	0	0	112.7	D114 Q115 F116 L120 I121 Q122	D114-F118 WeakPolarHBondContact O-CB 3.37Å; D114-F118 PolarHBondContact O-N 3.12Å; Q115-F118 WeakPolarHBondContact O-CA 3.46Å; Q115-F118 WeakPolarHBondContact O-CB 3.34Å; Q115-F118 PolarHBondContact O-N 3.18Å; Q115-F118 VanDerWaalsContact O-N 3.1Å; F116-F118 VanDerWaalsContact C-N 3.29Å; F116-F118 PolarHBondContact O-N 3.37Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 3.42Å; F118-I121 WeakPolarHBondContact O-CB 3.48Å; F118-I121 PolarHBondContact O-N 3.45Å; F118-Q122 HydrophobicContact CD1-CG 4.19Å; F118-Q122 HydrophobicContact CE1-CG 3.87Å; F118-Q122 HydrophobicContact CZ-CG 4.26Å; F118-Q122 VanDerWaalsContact CZ-NE2 3.32Å; F118-Q122 WeakPolarHBondContact O-CG 3.42Å; F118-Q122 PolarHBondContact O-N 3.14Å
119	D	33.6	Very low	35.5	Very low	76 Å²	76	98.9 Å²	98.9	41%	0.406	48%	0.477	S	S	.	.	H	α-helix	trans	-65.1	-37.1	-179.5	-66.5	-23.9	0	0	0	111.9	Q115 F116 I121 Q122 Y123	Q115-D119 PolarHBondContact NE2-OD1 2.8Å; Q115-D119 PolarHBondContact O-N 3.07Å; F116-D119 PolarHBondContact O-N 2.9Å; D119-I121 VanDerWaalsContact C-N 3.33Å; D119-I121 PolarHBondContact O-N 3.36Å; D119-Q122 WeakPolarHBondContact O-CB 3.27Å; D119-Q122 PolarHBondContact O-N 3.42Å; D119-Y123 PolarHBondContact O-N 2.88Å
120	L	37.3	Very low	35.9	Very low	101 Å²	101	96.9 Å²	96.9	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-63.7	-38.7	174.7	-168	68.4	0	0	0	111.8	F116 F118 Y123 T124	F116-L120 WeakPolarHBondContact O-CB 3.48Å; F116-L120 PolarHBondContact O-N 3.01Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 3.42Å; L120-Y123 PolarHBondContact O-N 3.46Å; L120-T124 PolarHBondContact O-N 3.44Å; L120-T124 PolarHBondContact O-OG1 2.93Å
121	I	37.1	Very low	35.9	Very low	69 Å²	69	95.7 Å²	95.7	35%	0.354	47%	0.465	S	S	.	.	H	α-helix	trans	-64.7	-43	174.5	-68.4	162.7	0	0	0	110.6	K117 F118 D119 Y123 T124 N125	K117-I121 HydrophobicContact CG-CD1 4.5Å; K117-I121 VanDerWaalsContact O-CD1 3.25Å; K117-I121 WeakPolarHBondContact O-CD1 3.5Å; K117-I121 WeakPolarHBondContact O-CG1 3.44Å; K117-I121 PolarHBondContact O-N 2.92Å; F118-I121 WeakPolarHBondContact O-CB 3.48Å; F118-I121 PolarHBondContact O-N 3.45Å; D119-I121 VanDerWaalsContact C-N 3.33Å; D119-I121 PolarHBondContact O-N 3.36Å; I121-Y123 VanDerWaalsContact C-N 3.34Å; I121-Y123 PolarHBondContact O-N 3.05Å; I121-T124 PolarHBondContact O-N 3.18Å; I121-N125 WeakPolarHBondContact O-CB 3.47Å; I121-N125 VanDerWaalsContact O-CG 3.3Å; I121-N125 PolarHBondContact O-N 3.03Å; I121-N125 PolarHBondContact O-ND2 3.21Å
122	Q	35.2	Very low	36	Very low	92 Å²	92	96.8 Å²	96.8	43%	0.43	47%	0.465	S	S	.	.	H	α-helix	trans	-59.6	-43	177.3	-69.2	-65.5	-24.6	0	0	112.2	F118 D119 K126	F118-Q122 HydrophobicContact CD1-CG 4.19Å; F118-Q122 HydrophobicContact CE1-CG 3.87Å; F118-Q122 HydrophobicContact CZ-CG 4.26Å; F118-Q122 VanDerWaalsContact CZ-NE2 3.32Å; F118-Q122 WeakPolarHBondContact O-CG 3.42Å; F118-Q122 PolarHBondContact O-N 3.14Å; D119-Q122 WeakPolarHBondContact O-CB 3.27Å; D119-Q122 PolarHBondContact O-N 3.42Å; Q122-K126 PolarHBondContact O-N 3.41Å
123	Y	35.1	Very low	36.2	Very low	73 Å²	73	96.8 Å²	96.8	29%	0.286	47%	0.465	S	S	.	.	H	α-helix	trans	-63.7	-46	175.5	-177.3	-96.3	0	0	0	112.2	D119 L120 I121 N125 K126 M127	D119-Y123 PolarHBondContact O-N 2.88Å; L120-Y123 PolarHBondContact O-N 3.46Å; I121-Y123 VanDerWaalsContact C-N 3.34Å; I121-Y123 PolarHBondContact O-N 3.05Å; Y123-N125 VanDerWaalsContact C-N 3.28Å; Y123-N125 PolarHBondContact O-N 3.1Å; Y123-K126 PolarHBondContact O-N 3.23Å; Y123-M127 HydrophobicContact CD1-CG 4.36Å; Y123-M127 HydrophobicContact CE1-CG 4.01Å; Y123-M127 WeakPolarHBondContact O-CG 3.32Å; Y123-M127 PolarHBondContact O-N 3.46Å; Y123-M127 VanDerWaalsContact O-N 3.15Å
124	T	38.6	Very low	36	Very low	62 Å²	62	93.2 Å²	93.2	38%	0.38	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-36.1	-178.3	-44.6	0	0	0	0	111.8	L120 I121 M127 K128	L120-T124 PolarHBondContact O-N 3.44Å; L120-T124 PolarHBondContact O-OG1 2.93Å; I121-T124 PolarHBondContact O-N 3.18Å; T124-M127 PolarHBondContact O-N 2.65Å; T124-K128 PolarHBondContact O-N 3.4Å; T124-K128 VanDerWaalsContact O-N 3.13Å
125	N	34.8	Very low	35.9	Very low	78 Å²	78	92.5 Å²	92.5	42%	0.417	46%	0.462	S	S	.	.	H	α-helix	trans	-70.9	-38.2	177.5	-72.1	-21.8	0	0	0	112.7	I121 Y123 M127 K128 M129	I121-N125 WeakPolarHBondContact O-CB 3.47Å; I121-N125 VanDerWaalsContact O-CG 3.3Å; I121-N125 PolarHBondContact O-N 3.03Å; I121-N125 PolarHBondContact O-ND2 3.21Å; Y123-N125 VanDerWaalsContact C-N 3.28Å; Y123-N125 PolarHBondContact O-N 3.1Å; N125-M127 VanDerWaalsContact C-N 3.3Å; N125-M127 PolarHBondContact O-N 3.05Å; N125-K128 PolarHBondContact O-N 3.42Å; N125-M129 PolarHBondContact O-N 3.45Å; N125-M129 VanDerWaalsContact O-N 3.11Å
126	K	38.4	Very low	35.7	Very low	120 Å²	120	92.2 Å²	92.2	52%	0.522	47%	0.467	S	S	.	.	H	α-helix	trans	-59.2	-42.1	171.6	-85.3	-177.1	173.4	179.9	0	111.4	Q122 Y123 M129 I130	Q122-K126 PolarHBondContact O-N 3.41Å; Y123-K126 PolarHBondContact O-N 3.23Å; K126-M129 PolarHBondContact O-N 3.22Å; K126-I130 VanDerWaalsContact O-CG1 3.28Å; K126-I130 WeakPolarHBondContact O-CG1 3.5Å; K126-I130 PolarHBondContact O-N 3.15Å; K126-I130 VanDerWaalsContact O-N 3.13Å
127	M	35.5	Very low	35.5	Very low	70 Å²	70	92.9 Å²	92.9	35%	0.345	48%	0.475	S	S	.	.	H	α-helix	trans	-65.8	-40.5	179.5	-66.9	-59.7	-108.1	0	0	113.3	F23 Y123 T124 N125 I130 S131	F23-M127 HydrophobicContact CE2-CE 3.5Å; F23-M127 HydrophobicContact CE2-SD 3.54Å; F23-M127 VanDerWaalsContact CE2-SD 3.54Å; F23-M127 HydrophobicContact CZ-CE 3.55Å; F23-M127 HydrophobicContact CZ-SD 4.24Å; Y123-M127 HydrophobicContact CD1-CG 4.36Å; Y123-M127 HydrophobicContact CE1-CG 4.01Å; Y123-M127 WeakPolarHBondContact O-CG 3.32Å; Y123-M127 PolarHBondContact O-N 3.46Å; Y123-M127 VanDerWaalsContact O-N 3.15Å; T124-M127 PolarHBondContact O-N 2.65Å; N125-M127 VanDerWaalsContact C-N 3.3Å; N125-M127 PolarHBondContact O-N 3.05Å; M127-I130 PolarHBondContact O-N 3.39Å; M127-I130 HydrophobicContact SD-CD1 4.41Å; M127-S131 PolarHBondContact O-N 3.04Å
128	K	40.2	Very low	35.1	Very low	118 Å²	118	88.9 Å²	88.9	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-64.7	-38.2	175.3	-75.2	-178.3	178.1	179.7	0	112.5	T124 N125 S131 N132	T124-K128 PolarHBondContact O-N 3.4Å; T124-K128 VanDerWaalsContact O-N 3.13Å; N125-K128 PolarHBondContact O-N 3.42Å; K128-S131 PolarHBondContact O-N 3.39Å; K128-N132 WeakPolarHBondContact O-CB 3.4Å; K128-N132 PolarHBondContact O-N 3.22Å
129	M	35.3	Very low	34.8	Very low	139 Å²	139	91.3 Å²	91.3	69%	0.685	49%	0.491	S	S	*	.	H	α-helix	trans	-61.5	-45.3	174.6	-101.3	-170.1	170.4	0	0	111.7	N125 K126 S131 N132 I133	N125-M129 PolarHBondContact O-N 3.45Å; N125-M129 VanDerWaalsContact O-N 3.11Å; K126-M129 PolarHBondContact O-N 3.22Å; M129-S131 PolarHBondContact O-N 3.39Å; M129-N132 PolarHBondContact O-N 3.11Å; M129-I133 VanDerWaalsContact O-CG1 3.27Å; M129-I133 WeakPolarHBondContact O-CG1 3.43Å; M129-I133 PolarHBondContact O-N 3.43Å
130	I	37.9	Very low	34.4	Very low	45 Å²	45	95.8 Å²	95.8	23%	0.231	51%	0.51	C	S	.	.	H	α-helix	trans	-62.1	-45	177.6	-63	167.4	0	0	0	110.2	F19 K126 M127 N132 I133 L134	F19-I130 HydrophobicContact CE1-CD1 4.41Å; F19-I130 HydrophobicContact CE1-CG2 3.84Å; F19-I130 HydrophobicContact CZ-CB 4.34Å; F19-I130 HydrophobicContact CZ-CD1 3.76Å; F19-I130 HydrophobicContact CZ-CG1 3.8Å; F19-I130 HydrophobicContact CZ-CG2 3.61Å; K126-I130 VanDerWaalsContact O-CG1 3.28Å; K126-I130 WeakPolarHBondContact O-CG1 3.5Å; K126-I130 PolarHBondContact O-N 3.15Å; K126-I130 VanDerWaalsContact O-N 3.13Å; M127-I130 PolarHBondContact O-N 3.39Å; M127-I130 HydrophobicContact SD-CD1 4.41Å; I130-N132 VanDerWaalsContact C-N 3.35Å; I130-N132 PolarHBondContact O-N 3.33Å; I130-I133 PolarHBondContact O-N 3.5Å; I130-L134 HydrophobicContact CG2-CD1 4.06Å; I130-L134 WeakPolarHBondContact O-CG 3.28Å; I130-L134 PolarHBondContact O-N 2.99Å; I130-L134 VanDerWaalsContact O-N 3.13Å
131	S	35.3	Very low	33.8	Very low	63 Å²	63	98.1 Å²	98.1	44%	0.441	52%	0.523	S	S	.	.	H	α-helix	trans	-60.3	-41.7	176.2	-175	0	0	0	0	112.6	M127 K128 M129 L134 C135	M127-S131 PolarHBondContact O-N 3.04Å; K128-S131 PolarHBondContact O-N 3.39Å; M129-S131 PolarHBondContact O-N 3.39Å; S131-L134 PolarHBondContact O-N 3.32Å; S131-C135 PolarHBondContact O-N 3.3Å; S131-C135 PolarHBondContact O-SG 3.34Å
132	N	35.3	Very low	33.3	Very low	107 Å²	107	101.8 Å²	101.8	57%	0.572	55%	0.548	S	S	*	.	H	α-helix	trans	-70.7	-39	-179.9	-82.9	-5.6	0	0	0	112.4	K128 M129 I130 L134 C135 T136	K128-N132 WeakPolarHBondContact O-CB 3.4Å; K128-N132 PolarHBondContact O-N 3.22Å; M129-N132 PolarHBondContact O-N 3.11Å; I130-N132 VanDerWaalsContact C-N 3.35Å; I130-N132 PolarHBondContact O-N 3.33Å; N132-L134 PolarHBondContact O-N 2.96Å; N132-C135 PolarHBondContact O-N 3.13Å; N132-C135 VanDerWaalsContact O-N 3.16Å; N132-T136 WeakPolarHBondContact O-CG2 3.3Å; N132-T136 PolarHBondContact O-N 3.29Å; N132-T136 PolarHBondContact O-OG1 3.12Å; N132-T136 VanDerWaalsContact O-OG1 3.12Å
133	I	33.4	Very low	32.8	Very low	81 Å²	81	103.9 Å²	103.9	42%	0.415	56%	0.562	S	S	.	*	H	α-helix	trans	-60.2	-38.7	174.9	-67.7	164.6	0	0	0	110.4	W11 M129 I130 T136	W11-I133 HydrophobicContact CH2-CG2 4.1Å; W11-I133 HydrophobicContact CZ2-CG2 4.12Å; M129-I133 VanDerWaalsContact O-CG1 3.27Å; M129-I133 WeakPolarHBondContact O-CG1 3.43Å; M129-I133 PolarHBondContact O-N 3.43Å; I130-I133 PolarHBondContact O-N 3.5Å; I133-T136 PolarHBondContact O-OG1 3.38Å
134	L	32.3	Very low	32.3	Very low	118 Å²	118	106.6 Å²	106.6	62%	0.618	58%	0.578	S	S	*	*	H	α-helix	trans	-69.3	-37.5	175.8	-68.2	165.9	0	0	0	112.3	I130 S131 N132	I130-L134 HydrophobicContact CG2-CD1 4.06Å; I130-L134 WeakPolarHBondContact O-CG 3.28Å; I130-L134 PolarHBondContact O-N 2.99Å; I130-L134 VanDerWaalsContact O-N 3.13Å; S131-L134 PolarHBondContact O-N 3.32Å; N132-L134 PolarHBondContact O-N 2.96Å
135	C	33.3	Very low	31.6	Very low	85 Å²	85	111.2 Å²	111.2	57%	0.574	60%	0.6	S	S	*	*	H	α-helix	trans	-76.1	-31.4	179	-67.8	0	0	0	0	114	S131 N132 N137 G138	S131-C135 PolarHBondContact O-N 3.3Å; S131-C135 PolarHBondContact O-SG 3.34Å; N132-C135 PolarHBondContact O-N 3.13Å; N132-C135 VanDerWaalsContact O-N 3.16Å; C135-N137 VanDerWaalsContact C-N 3.26Å; C135-N137 PolarHBondContact O-N 3.41Å; C135-G138 PolarHBondContact O-N 3.13Å
136	T	32.1	Very low	31	Very low	93 Å²	93	115.2 Å²	115.2	57%	0.571	62%	0.622	S	S	*	*	H	α-helix	trans	-70	-23.5	179.9	47.1	0	0	0	0	113.1	N132 I133 G138	N132-T136 WeakPolarHBondContact O-CG2 3.3Å; N132-T136 PolarHBondContact O-N 3.29Å; N132-T136 PolarHBondContact O-OG1 3.12Å; N132-T136 VanDerWaalsContact O-OG1 3.12Å; I133-T136 PolarHBondContact O-OG1 3.38Å; T136-G138 PolarHBondContact O-N 3.17Å
137	N	30.8	Very low	30.3	Very low	115 Å²	115	115.8 Å²	115.8	62%	0.615	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	0.7	175.3	-71.3	-9.9	0	0	0	113.3	C135	C135-N137 VanDerWaalsContact C-N 3.26Å; C135-N137 PolarHBondContact O-N 3.41Å
138	G	29.1	Very low	29.5	Very low	56 Å²	56	119.7 Å²	119.7	58%	0.577	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-12.6	-175.2	0	0	0	0	0	117.1	C135 T136	C135-G138 PolarHBondContact O-N 3.13Å; T136-G138 PolarHBondContact O-N 3.17Å
139	N	29.9	Very low	28.7	Very low	157 Å²	157	124.1 Å²	124.1	84%	0.84	67%	0.666	S	S	*	*			trans	-133.5	23.3	-166	-91.3	-3.6	0	0	0	116.3	N141	N139-N141 PolarHBondContact O-N 3.39Å
140	H	26.1	Very low	27.9	Very low	170 Å²	170	127.3 Å²	127.3	79%	0.787	68%	0.676	S	S	*	*			trans	-90.5	79	161	-83.5	-75.2	0	0	0	109.1
141	N	24.7	Very low	27.1	Very low	150 Å²	150	128.4 Å²	128.4	80%	0.802	70%	0.699	S	S	*	*			trans	-177.6	69	159.6	-88.7	-23.6	0	0	0	110.3	N139	N139-N141 PolarHBondContact O-N 3.39Å
142	T	26.1	Very low	26.4	Very low	145 Å²	145	133.8 Å²	133.8	89%	0.89	72%	0.719	S	S	*	*			trans	-166.8	79.1	144.1	35.5	0	0	0	0	107.5
143	D	24	Very low	25.8	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	73%	0.733	S	S	*	*			trans	-56.2	156.6	164.8	-76.7	-42.6	0	0	0	112.3
144	Q	25.3	Very low	25.1	Very low	130 Å²	130	139.5 Å²	139.5	61%	0.607	75%	0.751	S	S	*	*			trans	60.4	100.4	141.2	-96.2	61	-18.6	0	0	117.8
145	N	23.1	Very low	24.5	Very low	159 Å²	159	138.7 Å²	138.7	85%	0.85	76%	0.755	S	S	*	*	S	Bend		-170.8	77.4	125.1	-89.4	-21.7	0	0	0	109.3
146	N	21.9	Very low	24	Very low	163 Å²	163	142.5 Å²	142.5	87%	0.872	77%	0.768	S	S	*	*			trans	-172.4	71.9	156.9	-97.4	-11.8	0	0	0	107.9
147	I	23.7	Very low	23.5	Very low	132 Å²	132	143 Å²	143	68%	0.677	78%	0.775	S	S	*	*			trans	-126.2	108.2	161.9	-63.9	178.6	0	0	0	106.3	Y149	I147-Y149 PolarHBondContact O-N 3.42Å; I147-Y149 VanDerWaalsContact O-N 3.07Å
148	D	20.2	Very low	23.1	Very low	152 Å²	152	144.5 Å²	144.5	81%	0.813	78%	0.783	S	S	*	*			trans	-53.3	103.8	167.9	-63.1	-51.4	0	0	0	109.7
149	Y	22.2	Very low	22.7	Very low	211 Å²	211	149.2 Å²	149.2	83%	0.827	80%	0.795	S	S	*	*			trans	-113.8	104.6	167.2	-139.3	-94.6	0	0	0	109.5	I147 G151	I147-Y149 PolarHBondContact O-N 3.42Å; I147-Y149 VanDerWaalsContact O-N 3.07Å; Y149-G151 PolarHBondContact O-N 3.41Å; Y149-G151 VanDerWaalsContact O-N 3.16Å
150	F	19.1	Very low	22.4	Very low	205 Å²	205	149.5 Å²	149.5	90%	0.899	80%	0.795	S	S	*	*			trans	-53.6	110.1	163	-89.9	-100.4	0	0	0	109.4
151	G	21.7	Very low	22.1	Very low	68 Å²	68	148.3 Å²	148.3	70%	0.701	80%	0.795	S	S	*	*			trans	-146.7	91.5	178.2	0	0	0	0	0	110.6	Y149 N153	Y149-G151 PolarHBondContact O-N 3.41Å; Y149-G151 VanDerWaalsContact O-N 3.16Å; G151-N153 PolarHBondContact O-N 2.99Å
152	M	19.3	Very low	22.1	Very low	176 Å²	176	147.5 Å²	147.5	87%	0.867	79%	0.79	S	S	*	*			trans	-54.5	117.9	164.4	-78.1	-86	163.1	0	0	109.6
153	N	22.9	Very low	21.8	Very low	163 Å²	163	147.8 Å²	147.8	87%	0.872	79%	0.786	S	S	*	*			trans	-165.6	133.8	135.6	-93.9	-25.3	0	0	0	111.5	G151	G151-N153 PolarHBondContact O-N 2.99Å
154	N	19.7	Very low	21.7	Very low	145 Å²	145	152.2 Å²	152.2	78%	0.775	79%	0.794	S	S	*	*			trans	-64.5	149.6	-172.3	-72.8	-44.7	0	0	0	113.8
155	S	19.9	Very low	21.4	Very low	102 Å²	102	152 Å²	152	71%	0.713	81%	0.807	S	S	*	*			trans	54.5	104	140.5	57.9	0	0	0	0	117.9
156	I	23.2	Very low	21.3	Very low	164 Å²	164	154.6 Å²	154.6	84%	0.841	81%	0.807	S	S	*	*				-155.9	110.1	118.6	-84.7	134.3	0	0	0	106.4
157	S	20	Very low	21.3	Very low	104 Å²	104	152.4 Å²	152.4	73%	0.727	80%	0.804	S	S	*	*			trans	-71.7	130.6	159.2	55	0	0	0	0	108.3
158	N	22.2	Very low	21.3	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	80%	0.801	S	S	*	*			trans	-166.2	117.3	139.1	-91.7	-21.4	0	0	0	110.8
159	N	20.6	Very low	21.5	Very low	155 Å²	155	151.8 Å²	151.8	83%	0.829	80%	0.802	S	S	*	*			trans	-18.4	124.1	158.1	-77	-36.4	0	0	0	116.2
160	I	24.3	Very low	21.6	Very low	162 Å²	162	147.6 Å²	147.6	83%	0.831	79%	0.794	S	S	*	*			trans	-142.6	115.5	131.8	-56.3	-177.2	0	0	0	107.4
161	N	20.9	Very low	21.9	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	79%	0.786	S	S	*	*			trans	-110.2	106.7	177.7	-157.3	20.7	0	0	0	104.7
162	D	23.1	Very low	22.1	Very low	132 Å²	132	147.7 Å²	147.7	71%	0.706	79%	0.788	S	S	*	*			trans	-150.9	134.5	167.4	-91.6	-36.2	0	0	0	111.7
163	N	19.9	Very low	22.5	Very low	151 Å²	151	145.9 Å²	145.9	81%	0.807	78%	0.782	S	S	*	*			trans	-71.5	128.9	-166.9	-61	-67.5	0	0	0	112.8
164	Y	22.3	Very low	22.7	Very low	229 Å²	229	142 Å²	142	90%	0.898	77%	0.767	S	S	*	*			trans	-123.1	122	159.3	-81.8	-80.2	0	0	0	110.5
165	S	19.9	Very low	23.2	Very low	125 Å²	125	142.8 Å²	142.8	87%	0.874	76%	0.764	S	S	*	*			trans	-80.1	142.3	-174.5	30.4	0	0	0	0	113.1
166	Y	20.1	Very low	23.5	Very low	215 Å²	215	146.9 Å²	146.9	84%	0.843	77%	0.765	S	S	*	*			trans	-78	131.9	-175.1	-143.9	-99.9	0	0	0	111.4
167	S	22.2	Very low	23.7	Very low	117 Å²	117	145.2 Å²	145.2	82%	0.818	76%	0.757	S	S	*	*			trans	-127.4	124	165.5	-171.1	0	0	0	0	110.1
168	N	23.3	Very low	24.2	Very low	115 Å²	115	143.5 Å²	143.5	62%	0.615	74%	0.743	S	S	*	*			trans	-103.1	101.7	-162.2	-157.9	11.9	0	0	0	109.6	N170	N168-N170 PolarHBondContact O-N 2.99Å
169	N	24.3	Very low	24.6	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	73%	0.727	S	S	*	*			trans	-91.1	81.6	-179.7	-97.2	-18.1	0	0	0	111.2
170	N	24.7	Very low	25.2	Very low	123 Å²	123	138.1 Å²	138.1	66%	0.658	71%	0.713	S	S	*	*			trans	-101.7	9.7	177.9	-95.4	-10	0	0	0	115.1	N168	N168-N170 PolarHBondContact O-N 2.99Å
171	N	25.5	Very low	25.5	Very low	138 Å²	138	134 Å²	134	74%	0.738	70%	0.696	S	S	*	*			trans	-93.1	-8.4	-169.8	-76.5	-5.4	0	0	0	116.6
172	N	26.7	Very low	26	Very low	137 Å²	137	131.4 Å²	131.4	73%	0.733	68%	0.682	S	S	*	*	S	Bend	trans	-86.2	-22.1	-174.6	-70.4	-5.7	0	0	0	114.5	S174	N172-S174 VanDerWaalsContact C-N 3.32Å; N172-S174 PolarHBondContact O-N 3.19Å
173	N	27.4	Very low	26.5	Very low	139 Å²	139	131.6 Å²	131.6	74%	0.743	68%	0.676	S	S	*	*	H	α-helix	trans	-78.2	-16.7	-179.6	-73.4	-6.2	0	0	0	113.6
174	S	27.1	Very low	27.1	Very low	81 Å²	81	130.5 Å²	130.5	57%	0.566	67%	0.668	S	S	*	*	H	α-helix	trans	-72.6	-31.4	176.9	177.7	0	0	0	0	112.7	N172 T178	N172-S174 VanDerWaalsContact C-N 3.32Å; N172-S174 PolarHBondContact O-N 3.19Å; S174-T178 PolarHBondContact O-N 3.33Å; S174-T178 PolarHBondContact O-OG1 3.38Å
175	F	29.6	Very low	27.5	Very low	161 Å²	161	123 Å²	123	71%	0.706	64%	0.643	S	S	*	*	H	α-helix	trans	-78.7	-34.3	-171.9	-139.8	-89.5	0	0	0	113.3	T178 D179	F175-T178 WeakPolarHBondContact CA-OG1 3.42Å; F175-T178 PolarHBondContact O-OG1 3.48Å; F175-D179 PolarHBondContact O-N 3.3Å
176	Y	27	Very low	28	Very low	189 Å²	189	123 Å²	123	74%	0.741	63%	0.631	S	S	*	*	H	α-helix	trans	-72.9	-36.4	-179.2	-114.6	-88.2	0	0	0	113	L180	Y176-L180 PolarHBondContact O-N 2.92Å
177	L	26	Very low	28.6	Very low	128 Å²	128	117.9 Å²	117.9	67%	0.67	62%	0.618	S	S	*	*	H	α-helix	trans	-69.4	-35.7	177	-88.5	154.3	0	0	0	112.2	T181	L177-T181 WeakPolarHBondContact O-CB 3.44Å; L177-T181 PolarHBondContact O-N 3.25Å; L177-T181 VanDerWaalsContact O-N 3.16Å; L177-T181 PolarHBondContact O-OG1 2.92Å
178	T	31	Very low	28.9	Very low	69 Å²	69	115.9 Å²	115.9	42%	0.423	60%	0.598	S	S	.	*	H	α-helix	trans	-69.9	-41.5	176.8	29.4	0	0	0	0	111.6	S174 F175 L180 T181 N182	S174-T178 PolarHBondContact O-N 3.33Å; S174-T178 PolarHBondContact O-OG1 3.38Å; F175-T178 WeakPolarHBondContact CA-OG1 3.42Å; F175-T178 PolarHBondContact O-OG1 3.48Å; T178-L180 PolarHBondContact O-N 3.36Å; T178-T181 PolarHBondContact O-N 3.38Å; T178-N182 WeakPolarHBondContact O-CB 3.46Å; T178-N182 PolarHBondContact O-N 3.39Å; T178-N182 PolarHBondContact O-ND2 3.48Å
179	D	31.6	Very low	29.1	Very low	86 Å²	86	114.1 Å²	114.1	46%	0.46	58%	0.583	S	S	.	*	H	α-helix	trans	-66.9	-37.2	180	-153.3	41.4	0	0	0	112.6	F175 N182 K183	F175-D179 PolarHBondContact O-N 3.3Å; D179-N182 PolarHBondContact O-N 2.89Å; D179-K183 PolarHBondContact O-N 3.36Å
180	L	32.1	Very low	29.4	Very low	103 Å²	103	110.6 Å²	110.6	54%	0.539	57%	0.567	S	S	.	*	H	α-helix	trans	-69	-39.6	175.6	-133.8	94.5	0	0	0	112.4	Y176 T178 N182 K183 M184	Y176-L180 PolarHBondContact O-N 2.92Å; T178-L180 PolarHBondContact O-N 3.36Å; L180-N182 VanDerWaalsContact C-N 3.29Å; L180-N182 PolarHBondContact O-N 2.96Å; L180-K183 PolarHBondContact O-N 3.44Å; L180-M184 PolarHBondContact O-N 3.46Å
181	T	31.7	Very low	29.6	Very low	75 Å²	75	107.8 Å²	107.8	46%	0.46	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-38.9	175.8	-51	0	0	0	0	110.4	L177 T178 M184 N185	L177-T181 WeakPolarHBondContact O-CB 3.44Å; L177-T181 PolarHBondContact O-N 3.25Å; L177-T181 VanDerWaalsContact O-N 3.16Å; L177-T181 PolarHBondContact O-OG1 2.92Å; T178-T181 PolarHBondContact O-N 3.38Å; T181-M184 PolarHBondContact O-N 3.43Å; T181-N185 WeakPolarHBondContact O-CB 3.42Å; T181-N185 PolarHBondContact O-N 3.34Å; T181-N185 PolarHBondContact O-ND2 3.39Å
182	N	31	Very low	29.7	Very low	91 Å²	91	103 Å²	103	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-66.3	-41.1	174.8	-69.4	-21.9	0	0	0	112.1	T178 D179 L180 N185 M186	T178-N182 WeakPolarHBondContact O-CB 3.46Å; T178-N182 PolarHBondContact O-N 3.39Å; T178-N182 PolarHBondContact O-ND2 3.48Å; D179-N182 PolarHBondContact O-N 2.89Å; L180-N182 VanDerWaalsContact C-N 3.29Å; L180-N182 PolarHBondContact O-N 2.96Å; N182-N185 PolarHBondContact O-N 2.82Å; N182-M186 WeakPolarHBondContact O-CG 3.24Å; N182-M186 PolarHBondContact O-N 3.16Å
183	K	33.7	Very low	29.9	Very low	136 Å²	136	101.7 Å²	101.7	59%	0.591	52%	0.524	S	S	*	.	H	α-helix	trans	-64.9	-41.1	173.7	-85.8	-178.9	177.3	174.1	0	112.9	D179 L180 N185 M186 N187	D179-K183 PolarHBondContact O-N 3.36Å; L180-K183 PolarHBondContact O-N 3.44Å; K183-N185 VanDerWaalsContact C-N 3.34Å; K183-M186 PolarHBondContact O-N 2.89Å; K183-N187 PolarHBondContact O-N 2.99Å
184	M	31.8	Very low	30.1	Very low	129 Å²	129	103.8 Å²	103.8	64%	0.635	53%	0.526	S	S	*	.	H	α-helix	trans	-62.5	-41.8	174.2	-82.4	-171.7	171.3	0	0	111.6	L180 T181 N187 L188	L180-M184 PolarHBondContact O-N 3.46Å; T181-M184 PolarHBondContact O-N 3.43Å; M184-N187 PolarHBondContact O-N 3.02Å; M184-L188 PolarHBondContact O-N 3.42Å
185	N	31.6	Very low	30.1	Very low	71 Å²	71	102.5 Å²	102.5	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-67.1	-37.1	176.9	-75.8	-17.8	0	0	0	112.6	T181 N182 K183 L188 Y189 M218	T181-N185 WeakPolarHBondContact O-CB 3.42Å; T181-N185 PolarHBondContact O-N 3.34Å; T181-N185 PolarHBondContact O-ND2 3.39Å; N182-N185 PolarHBondContact O-N 2.82Å; K183-N185 VanDerWaalsContact C-N 3.34Å; N185-L188 PolarHBondContact O-N 3.43Å; N185-Y189 PolarHBondContact O-N 3.49Å; N185-M218 HydrophobicContact CB-CE 4.06Å
186	M	30.6	Very low	30.1	Very low	125 Å²	125	98.3 Å²	98.3	62%	0.616	50%	0.5	S	S	*	.	H	α-helix	trans	-68.1	-39.8	174.2	-76.8	-64.4	-125.5	0	0	112.7	N182 K183 L188 Y189 T190	N182-M186 WeakPolarHBondContact O-CG 3.24Å; N182-M186 PolarHBondContact O-N 3.16Å; K183-M186 PolarHBondContact O-N 2.89Å; M186-L188 VanDerWaalsContact C-N 3.31Å; M186-L188 PolarHBondContact O-N 3.28Å; M186-Y189 PolarHBondContact O-N 3.14Å; M186-T190 WeakPolarHBondContact O-CG2 3.4Å; M186-T190 PolarHBondContact O-N 3.03Å; M186-T190 PolarHBondContact O-OG1 3.45Å
187	N	31.1	Very low	30.2	Very low	107 Å²	107	94.6 Å²	94.6	57%	0.572	50%	0.499	S	S	*	.	H	α-helix	trans	-65.8	-35.5	174.2	-85	-19.2	0	0	0	111.7	K183 M184 T190 T191	K183-N187 PolarHBondContact O-N 2.99Å; M184-N187 PolarHBondContact O-N 3.02Å; N187-T190 PolarHBondContact O-OG1 3.39Å; N187-T191 WeakPolarHBondContact O-CG2 3.44Å; N187-T191 PolarHBondContact O-N 3.26Å; N187-T191 PolarHBondContact O-OG1 2.97Å
188	L	28.8	Very low	30.6	Very low	75 Å²	75	93.4 Å²	93.4	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-44.7	170.6	-123.7	81.3	0	0	0	111.3	M184 N185 M186 T190 T191 T192	M184-L188 PolarHBondContact O-N 3.42Å; N185-L188 PolarHBondContact O-N 3.43Å; M186-L188 VanDerWaalsContact C-N 3.31Å; M186-L188 PolarHBondContact O-N 3.28Å; L188-T190 PolarHBondContact O-N 3.02Å; L188-T191 PolarHBondContact O-N 3.4Å; L188-T191 PolarHBondContact O-OG1 3.21Å; L188-T192 PolarHBondContact O-N 3.17Å; L188-T192 PolarHBondContact O-OG1 3.17Å
189	Y	28.3	Very low	30.6	Very low	79 Å²	79	93.7 Å²	93.7	31%	0.31	49%	0.494	S	S	.	.	H	α-helix	trans	-63.1	-39.8	-179.6	-154.3	-90.3	0	0	0	113.2	N185 M186 T191 T192 N193 M218	N185-Y189 PolarHBondContact O-N 3.49Å; M186-Y189 PolarHBondContact O-N 3.14Å; Y189-T191 VanDerWaalsContact C-N 3.34Å; Y189-T192 WeakPolarHBondContact CA-OG1 3.26Å; Y189-T192 PolarHBondContact O-N 3.36Å; Y189-T192 PolarHBondContact O-OG1 3.29Å; Y189-N193 PolarHBondContact O-N 3.22Å; Y189-M218 HydrophobicContact CE2-CB 4.49Å
190	T	29.6	Very low	30.6	Very low	80 Å²	80	93.1 Å²	93.1	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-69.3	-32	176.7	57.5	0	0	0	0	112.5	M186 N187 L188	M186-T190 WeakPolarHBondContact O-CG2 3.4Å; M186-T190 PolarHBondContact O-N 3.03Å; M186-T190 PolarHBondContact O-OG1 3.45Å; N187-T190 PolarHBondContact O-OG1 3.39Å; L188-T190 PolarHBondContact O-N 3.02Å
191	T	29.5	Very low	30.6	Very low	64 Å²	64	97.4 Å²	97.4	39%	0.393	50%	0.504	S	S	.	.	H	α-helix	trans	-72.6	-37.2	174.5	55.9	0	0	0	0	112.7	N187 L188 Y189 N193 K194	N187-T191 WeakPolarHBondContact O-CG2 3.44Å; N187-T191 PolarHBondContact O-N 3.26Å; N187-T191 PolarHBondContact O-OG1 2.97Å; L188-T191 PolarHBondContact O-N 3.4Å; L188-T191 PolarHBondContact O-OG1 3.21Å; Y189-T191 VanDerWaalsContact C-N 3.34Å; T191-N193 PolarHBondContact O-N 3.05Å; T191-K194 PolarHBondContact O-N 3.04Å
192	T	28.2	Very low	30.6	Very low	39 Å²	39	99.9 Å²	99.9	24%	0.239	51%	0.514	C	S	.	.	H	α-helix	trans	-68.9	-34.2	-179.8	49.9	0	0	0	0	112.9	L188 Y189 K194 I195 L211	L188-T192 PolarHBondContact O-N 3.17Å; L188-T192 PolarHBondContact O-OG1 3.17Å; Y189-T192 WeakPolarHBondContact CA-OG1 3.26Å; Y189-T192 PolarHBondContact O-N 3.36Å; Y189-T192 PolarHBondContact O-OG1 3.29Å; T192-K194 PolarHBondContact O-N 3.38Å; T192-I195 PolarHBondContact O-N 3.13Å; T192-L211 HydrophobicContact CG2-CD2 4.04Å
193	N	29.7	Very low	30.5	Very low	109 Å²	109	97.7 Å²	97.7	58%	0.583	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-5.2	177.9	-78.7	-6.6	0	0	0	114.5	Y189 T191	Y189-N193 PolarHBondContact O-N 3.22Å; T191-N193 PolarHBondContact O-N 3.05Å
194	K	31.7	Very low	30.6	Very low	183 Å²	183	95.2 Å²	95.2	80%	0.796	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.8	173	-71.5	-176.2	177.5	178.8	0	113.5	T191 T192	T191-K194 PolarHBondContact O-N 3.04Å; T192-K194 PolarHBondContact O-N 3.38Å
195	I	27.7	Very low	30.9	Very low	54 Å²	54	95.2 Å²	95.2	28%	0.277	50%	0.503	S	S	.	.	S	Bend	trans	-92.3	113	-177	-55	173.7	0	0	0	108.6	T192 E199 L200	T192-I195 PolarHBondContact O-N 3.13Å; I195-E199 HydrophobicContact CG2-CB 3.71Å; I195-L200 HydrophobicContact CB-CD1 4.33Å; I195-L200 HydrophobicContact CG2-CD1 3.85Å
196	T	29.7	Very low	31.2	Very low	72 Å²	72	96 Å²	96	44%	0.442	51%	0.514	S	S	.	.			trans	-64.9	148.3	173.5	57.6	0	0	0	0	110.8	T198 E199	T196-T198 PolarHBondContact O-N 3.23Å; T196-T198 PolarHBondContact OG1-OG1 2.93Å; T196-E199 PolarHBondContact O-N 3.44Å
197	P	28.5	Very low	31.3	Very low	111 Å²	111	93.7 Å²	93.7	72%	0.721	50%	0.504	S	S	*	.	H	α-helix	trans	-57.1	-23.6	-175.8	-24.8	32.8	0	0	0	114.6
198	T	34.4	Very low	31.8	Very low	104 Å²	104	90.1 Å²	90.1	64%	0.638	49%	0.487	S	S	*	.	H	α-helix	trans	-67.7	-34.8	175.6	38.8	0	0	0	0	112.6	T196	T196-T198 PolarHBondContact O-N 3.23Å; T196-T198 PolarHBondContact OG1-OG1 2.93Å
199	E	30.8	Very low	32.3	Very low	75 Å²	75	93.1 Å²	93.1	35%	0.35	50%	0.499	S	S	.	.	H	α-helix	trans	-78.6	-24	178.3	-69.4	-174.3	151.9	0	0	112.7	I195 T196 K201 L202	I195-E199 HydrophobicContact CG2-CB 3.71Å; T196-E199 PolarHBondContact O-N 3.44Å; E199-K201 PolarHBondContact O-N 3.07Å; E199-L202 PolarHBondContact O-N 2.93Å
200	L	31.5	Very low	32.6	Very low	73 Å²	73	94.9 Å²	94.9	38%	0.382	51%	0.509	S	S	.	.	H	α-helix	trans	-64.8	-27.8	178	-126.2	99.6	0	0	0	113	I195 L202	I195-L200 HydrophobicContact CB-CD1 4.33Å; I195-L200 HydrophobicContact CG2-CD1 3.85Å; L200-L202 VanDerWaalsContact C-N 3.26Å; L200-L202 PolarHBondContact O-N 3.4Å
201	K	32.6	Very low	32.8	Very low	193 Å²	193	93 Å²	93	84%	0.839	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.4	178.8	-72.4	-174.7	178.2	179.7	0	113.9	E199	E199-K201 PolarHBondContact O-N 3.07Å
202	L	31.3	Very low	33.3	Very low	128 Å²	128	95.3 Å²	95.3	67%	0.67	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-2.6	-177.7	-81.7	150.9	0	0	0	113.5	E199 L200	E199-L202 PolarHBondContact O-N 2.93Å; L200-L202 VanDerWaalsContact C-N 3.26Å; L200-L202 PolarHBondContact O-N 3.4Å
203	L	28.8	Very low	33.7	Very low	44 Å²	44	99.9 Å²	99.9	23%	0.23	52%	0.523	C	S	.	.	S	Bend	trans	-87.5	140.6	179.4	-82.4	141.2	0	0	0	111.7	D205 L207	L203-D205 PolarHBondContact O-N 3.16Å; L203-L207 HydrophobicContact CD2-CB 4.39Å; L203-L207 HydrophobicContact CD2-CD2 3.27Å; L203-L207 HydrophobicContact CD2-CG 3.94Å
204	P	35.7	Very low	33.8	Very low	85 Å²	85	97.5 Å²	97.5	55%	0.552	51%	0.511	S	S	*	.			trans	-53.8	136.9	173.7	-23.2	32.1	0	0	0	111.5	S206 L207 S208	P204-S206 PolarHBondContact O-N 3.01Å; P204-L207 PolarHBondContact O-N 3.42Å; P204-S208 PolarHBondContact O-N 3.4Å; P204-S208 VanDerWaalsContact O-N 3.14Å
205	D	39.7	Very low	33.9	Very low	128 Å²	128	94 Å²	94	68%	0.684	49%	0.493	S	S	*	.	H	α-helix	trans	-49.7	-33.5	-174.6	-74.7	-25.5	0	0	0	114	L203 L207 S208 Q209	L203-D205 PolarHBondContact O-N 3.16Å; D205-L207 VanDerWaalsContact C-N 3.32Å; D205-L207 PolarHBondContact O-N 3.42Å; D205-S208 PolarHBondContact O-N 3.23Å; D205-Q209 VanDerWaalsContact O-CB 3.31Å; D205-Q209 WeakPolarHBondContact O-CB 3.36Å; D205-Q209 VanDerWaalsContact O-CG 3.28Å; D205-Q209 WeakPolarHBondContact O-CG 3.29Å; D205-Q209 PolarHBondContact O-N 3.37Å
206	S	37.1	Very low	34.1	Very low	89 Å²	89	96 Å²	96	62%	0.622	50%	0.504	S	S	*	.	H	α-helix	trans	-64	-36.3	177.1	58.6	0	0	0	0	113.1	P204 F210	P204-S206 PolarHBondContact O-N 3.01Å; S206-F210 WeakPolarHBondContact O-CB 3.46Å; S206-F210 PolarHBondContact O-N 2.89Å
207	L	33.3	Very low	34.2	Very low	76 Å²	76	97.3 Å²	97.3	40%	0.398	51%	0.509	S	S	.	.	H	α-helix	trans	-81.1	-37	179.4	-168.8	56.6	0	0	0	110.7	L203 P204 D205 F210 L211	L203-L207 HydrophobicContact CD2-CB 4.39Å; L203-L207 HydrophobicContact CD2-CD2 3.27Å; L203-L207 HydrophobicContact CD2-CG 3.94Å; P204-L207 PolarHBondContact O-N 3.42Å; D205-L207 VanDerWaalsContact C-N 3.32Å; D205-L207 PolarHBondContact O-N 3.42Å; L207-F210 HydrophobicContact CD1-CD1 4.46Å; L207-F210 PolarHBondContact O-N 3.11Å; L207-L211 HydrophobicContact CG-CD1 4.45Å; L207-L211 WeakPolarHBondContact O-CB 3.47Å; L207-L211 VanDerWaalsContact O-CG 3.29Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.28Å
208	S	41.6	Very low	34.3	Very low	32 Å²	32	95.7 Å²	95.7	22%	0.224	49%	0.492	C	S	.	.	H	α-helix	trans	-59.5	-46.8	170	179.5	0	0	0	0	111.6	P204 D205 F210 L211 M212	P204-S208 PolarHBondContact O-N 3.4Å; P204-S208 VanDerWaalsContact O-N 3.14Å; D205-S208 PolarHBondContact O-N 3.23Å; S208-F210 PolarHBondContact O-N 2.97Å; S208-L211 PolarHBondContact O-N 3.46Å; S208-M212 WeakPolarHBondContact O-CB 3.47Å; S208-M212 PolarHBondContact O-N 3.44Å
209	Q	37.6	Very low	34.2	Very low	137 Å²	137	95.6 Å²	95.6	64%	0.64	48%	0.484	S	S	*	.	H	α-helix	trans	-63	-41.1	174.9	-76.4	177	19.3	0	0	112.4	D205 M212 M213	D205-Q209 VanDerWaalsContact O-CB 3.31Å; D205-Q209 WeakPolarHBondContact O-CB 3.36Å; D205-Q209 VanDerWaalsContact O-CG 3.28Å; D205-Q209 WeakPolarHBondContact O-CG 3.29Å; D205-Q209 PolarHBondContact O-N 3.37Å; Q209-M212 PolarHBondContact O-N 3.09Å; Q209-M213 WeakPolarHBondContact O-CB 3.44Å; Q209-M213 PolarHBondContact O-N 3.02Å
210	F	35.1	Very low	34.2	Very low	117 Å²	117	98.6 Å²	98.6	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-62.6	-42.8	176.3	-179.1	-98.6	0	0	0	112.1	S206 L207 S208 N214	S206-F210 WeakPolarHBondContact O-CB 3.46Å; S206-F210 PolarHBondContact O-N 2.89Å; L207-F210 HydrophobicContact CD1-CD1 4.46Å; L207-F210 PolarHBondContact O-N 3.11Å; S208-F210 PolarHBondContact O-N 2.97Å; F210-N214 VanDerWaalsContact CE1-ND2 3.32Å; F210-N214 WeakPolarHBondContact CE1-ND2 3.4Å; F210-N214 VanDerWaalsContact CZ-ND2 3.32Å; F210-N214 WeakPolarHBondContact CZ-ND2 3.31Å; F210-N214 PolarHBondContact O-N 2.92Å; F210-N214 VanDerWaalsContact O-N 3.12Å; F210-N214 PolarHBondContact O-ND2 3.02Å
211	L	33.9	Very low	33.9	Very low	41 Å²	41	102.3 Å²	102.3	22%	0.215	51%	0.513	C	S	.	.	H	α-helix	trans	-68.2	-43	177.2	-69.5	171.3	0	0	0	111.7	T192 L207 S208 M213 N214 Y215	T192-L211 HydrophobicContact CG2-CD2 4.04Å; L207-L211 HydrophobicContact CG-CD1 4.45Å; L207-L211 WeakPolarHBondContact O-CB 3.47Å; L207-L211 VanDerWaalsContact O-CG 3.29Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.28Å; S208-L211 PolarHBondContact O-N 3.46Å; L211-M213 PolarHBondContact O-N 2.94Å; L211-N214 PolarHBondContact O-N 3.21Å; L211-Y215 WeakPolarHBondContact O-CB 3.31Å; L211-Y215 PolarHBondContact O-N 2.93Å
212	M	39.4	Very low	33.7	Very low	112 Å²	112	99.5 Å²	99.5	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-62	-41.3	174.3	-87.4	-102	-76.5	0	0	112.5	S208 Q209 N214 Y215 N216	S208-M212 WeakPolarHBondContact O-CB 3.47Å; S208-M212 PolarHBondContact O-N 3.44Å; Q209-M212 PolarHBondContact O-N 3.09Å; M212-N214 VanDerWaalsContact C-N 3.3Å; M212-N214 PolarHBondContact O-N 3.33Å; M212-Y215 PolarHBondContact O-N 2.88Å; M212-N216 PolarHBondContact O-N 3.1Å
213	M	36.7	Very low	33.4	Very low	134 Å²	134	99.7 Å²	99.7	66%	0.66	51%	0.508	S	S	*	.	H	α-helix	trans	-67.7	-32.5	179.9	-165.7	165.6	136.8	0	0	111.6	Q209 L211 N217	Q209-M213 WeakPolarHBondContact O-CB 3.44Å; Q209-M213 PolarHBondContact O-N 3.02Å; L211-M213 PolarHBondContact O-N 2.94Å; M213-N217 PolarHBondContact O-N 2.97Å; M213-N217 PolarHBondContact O-ND2 2.84Å
214	N	32.8	Very low	33.2	Very low	60 Å²	60	105.9 Å²	105.9	32%	0.321	53%	0.53	S	S	.	.	H	α-helix	trans	-77.9	-33.6	171.6	-75.8	-35.6	0	0	0	113	F210 L211 M212 N217 M218	F210-N214 VanDerWaalsContact CE1-ND2 3.32Å; F210-N214 WeakPolarHBondContact CE1-ND2 3.4Å; F210-N214 VanDerWaalsContact CZ-ND2 3.32Å; F210-N214 WeakPolarHBondContact CZ-ND2 3.31Å; F210-N214 PolarHBondContact O-N 2.92Å; F210-N214 VanDerWaalsContact O-N 3.12Å; F210-N214 PolarHBondContact O-ND2 3.02Å; L211-N214 PolarHBondContact O-N 3.21Å; M212-N214 VanDerWaalsContact C-N 3.3Å; M212-N214 PolarHBondContact O-N 3.33Å; N214-N217 PolarHBondContact O-N 3.05Å; N214-M218 PolarHBondContact O-N 2.94Å
215	Y	33.5	Very low	32.7	Very low	110 Å²	110	109.7 Å²	109.7	43%	0.431	55%	0.546	S	S	.	.	H	α-helix	trans	-61.9	-44.2	175.3	-167.7	-92.7	0	0	0	111.5	L211 M212 N217 M218	L211-Y215 WeakPolarHBondContact O-CB 3.31Å; L211-Y215 PolarHBondContact O-N 2.93Å; M212-Y215 PolarHBondContact O-N 2.88Å; Y215-N217 PolarHBondContact O-N 3.27Å; Y215-M218 PolarHBondContact O-N 3.45Å
216	N	31.7	Very low	31.8	Very low	95 Å²	95	108.4 Å²	108.4	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-70	-31.2	178.8	-69.4	-17.4	0	0	0	113.1	M212 M218	M212-N216 PolarHBondContact O-N 3.1Å; N216-M218 VanDerWaalsContact C-N 3.33Å; N216-M218 PolarHBondContact O-N 3.02Å
217	N	32.7	Very low	31	Very low	99 Å²	99	107.7 Å²	107.7	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-72.1	-23.9	177.3	-84.5	-18.3	0	0	0	113.6	M213 N214 Y215	M213-N217 PolarHBondContact O-N 2.97Å; M213-N217 PolarHBondContact O-ND2 2.84Å; N214-N217 PolarHBondContact O-N 3.05Å; Y215-N217 PolarHBondContact O-N 3.27Å
218	M	30.5	Very low	30.5	Very low	77 Å²	77	109.7 Å²	109.7	38%	0.379	56%	0.558	S	S	.	*	H	α-helix	trans	-82.1	-33.2	178.5	-73.7	-65.4	-122.3	0	0	113	N185 Y189 N214 Y215 N216 H220 H221	N185-M218 HydrophobicContact CB-CE 4.06Å; Y189-M218 HydrophobicContact CE2-CB 4.49Å; N214-M218 PolarHBondContact O-N 2.94Å; Y215-M218 PolarHBondContact O-N 3.45Å; N216-M218 VanDerWaalsContact C-N 3.33Å; N216-M218 PolarHBondContact O-N 3.02Å; M218-H220 VanDerWaalsContact C-N 3.35Å; M218-H220 PolarHBondContact O-N 3.45Å; M218-H221 PolarHBondContact O-N 3.23Å
219	H	32.5	Very low	29.6	Very low	102 Å²	102	115 Å²	115	47%	0.472	58%	0.582	S	S	.	*	H	α-helix	trans	-73	-26.9	178.4	-107.3	-64.7	0	0	0	113.5	H221 L222	H219-H221 PolarHBondContact O-N 3.34Å; H219-L222 PolarHBondContact O-N 3Å
220	H	29.4	Very low	28.8	Very low	139 Å²	139	114.5 Å²	114.5	64%	0.644	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-13	176.6	-112.5	-62.2	0	0	0	114.1	M218	M218-H220 VanDerWaalsContact C-N 3.35Å; M218-H220 PolarHBondContact O-N 3.45Å
221	H	26.7	Very low	28.3	Very low	150 Å²	150	114.3 Å²	114.3	69%	0.694	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-6.2	179.8	-106.6	-67.9	0	0	0	114.7	M218 H219	M218-H221 PolarHBondContact O-N 3.23Å; H219-H221 PolarHBondContact O-N 3.34Å
222	L	27.5	Very low	27.7	Very low	135 Å²	135	118.9 Å²	118.9	71%	0.707	63%	0.631	S	S	*	*	S	Bend	trans	-87.8	-19.1	176.3	-74.1	173.4	0	0	0	114.1	H219	H219-L222 PolarHBondContact O-N 3Å
223	D	25.8	Very low	26.9	Very low	131 Å²	131	119.8 Å²	119.8	70%	0.701	64%	0.643	S	S	*	*	S	Bend	trans	-102.8	-0.3	-176.2	-70.8	-19.5	0	0	0	114.9
224	Y	24.8	Very low	26.2	Very low	174 Å²	174	119.5 Å²	119.5	68%	0.682	65%	0.649	S	S	*	*			trans	-106.6	15	-173.6	-114.3	-77.9	0	0	0	116.5
225	N	24	Very low	25.6	Very low	165 Å²	165	123.2 Å²	123.2	88%	0.882	67%	0.674	S	S	*	*	S	Bend	trans	-92.6	11.3	170.3	-89.6	-14.2	0	0	0	114.4
226	S	20.5	Very low	25.2	Very low	101 Å²	101	124.3 Å²	124.3	71%	0.706	69%	0.693	S	S	*	*	S	Bend	trans	-140.5	59.4	176.8	64.6	0	0	0	0	113.3
227	S	21.5	Very low	24.6	Very low	75 Å²	75	124.5 Å²	124.5	52%	0.524	71%	0.708	S	S	.	*			trans	-171.6	121.8	149.1	14.4	0	0	0	0	114.3
228	T	22.6	Very low	24.1	Very low	118 Å²	118	127.8 Å²	127.8	72%	0.724	72%	0.723	S	S	*	*			trans	73	107.6	137.6	53.3	0	0	0	0	118.8
229	I	22	Very low	23.8	Very low	143 Å²	143	132.3 Å²	132.3	73%	0.733	74%	0.743	S	S	*	*				73.2	109	66.2	-63.5	168.9	0	0	0	112
230	T	21.4	Very low	23.2	Very low	126 Å²	126	131.3 Å²	131.3	77%	0.773	75%	0.748	S	S	*	*			trans	59	122	149.1	58.8	0	0	0	0	120.7
231	S	23.6	Very low	22.9	Very low	114 Å²	114	131.5 Å²	131.5	80%	0.797	75%	0.754	S	S	*	*			trans	-170.1	73.5	140.1	35.9	0	0	0	0	110.6
232	T	22.7	Very low	22.8	Very low	136 Å²	136	128.9 Å²	128.9	83%	0.834	75%	0.752	S	S	*	*			trans	-95.4	95.3	164.7	45.5	0	0	0	0	108.8	T234	T232-T234 PolarHBondContact O-N 3.26Å
233	T	21.2	Very low	22.6	Very low	131 Å²	131	129.1 Å²	129.1	80%	0.804	75%	0.754	S	S	*	*			trans	-82	104.3	169.4	47	0	0	0	0	109.2
234	T	24	Very low	22.4	Very low	129 Å²	129	130 Å²	130	79%	0.791	76%	0.759	S	S	*	*			trans	-109.4	109.2	167	42.7	0	0	0	0	109.4	T232	T232-T234 PolarHBondContact O-N 3.26Å
235	T	20.1	Very low	22.4	Very low	137 Å²	137	129.6 Å²	129.6	84%	0.84	77%	0.767	S	S	*	*			trans	-77.8	113.5	171.5	41.1	0	0	0	0	110.4
236	T	23.6	Very low	22.3	Very low	133 Å²	133	130.7 Å²	130.7	82%	0.816	77%	0.767	S	S	*	*			trans	-137.7	110.9	159.2	46.6	0	0	0	0	108.5
237	A	19.5	Very low	22.5	Very low	100 Å²	100	129.6 Å²	129.6	83%	0.826	77%	0.771	S	S	*	*			trans	-87.9	116	176.1	0	0	0	0	0	109.4
238	I	23.4	Very low	22.5	Very low	167 Å²	167	132.1 Å²	132.1	86%	0.856	79%	0.788	S	S	*	*			trans	-138.4	133.1	156.8	-59.9	-177.6	0	0	0	107.6
239	H	22.9	Very low	22.6	Very low	173 Å²	173	131.7 Å²	131.7	80%	0.801	79%	0.79	S	S	*	*			trans	-64.3	140.1	-169	-89.6	-95.3	0	0	0	115.1
240	S	21	Very low	22.7	Very low	81 Å²	81	132.7 Å²	132.7	57%	0.566	79%	0.794	S	S	*	*			trans	13	123.6	137.3	58.8	0	0	0	0	118.4
241	D	22.5	Very low	22.8	Very low	143 Å²	143	137.7 Å²	137.7	77%	0.765	80%	0.8	S	S	*	*				176.1	129.2	102.7	-87.3	-30.2	0	0	0	113.8
242	S	23.9	Very low	22.6	Very low	94 Å²	94	136.6 Å²	136.6	66%	0.657	79%	0.792	S	S	*	*			trans	77.6	132.4	138.1	79.7	0	0	0	0	121.6
243	N	23.3	Very low	22.6	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	79%	0.789	S	S	*	*			trans	89.3	100.3	144	-59	-24.2	0	0	0	118.9
244	N	21.8	Very low	22.6	Very low	149 Å²	149	138 Å²	138	80%	0.797	79%	0.787	S	S	*	*				28.8	118.6	117.3	-89.6	-16.1	0	0	0	115.4
245	I	25.7	Very low	22.5	Very low	166 Å²	166	143.3 Å²	143.3	85%	0.851	79%	0.792	S	S	*	*				-172.1	139.5	118.3	-90.7	147.4	0	0	0	109.5
246	Q	21.9	Very low	22.7	Very low	188 Å²	188	142.6 Å²	142.6	88%	0.879	79%	0.788	S	S	*	*			trans	-55.4	147.1	176.1	-62.2	156.8	-53.9	0	0	112.5
247	G	24.6	Very low	22.8	Very low	77 Å²	77	142.1 Å²	142.1	79%	0.794	79%	0.787	S	S	*	*			trans	-173.8	76.2	175	0	0	0	0	0	113
248	S	21.7	Very low	23.1	Very low	128 Å²	128	142.6 Å²	142.6	90%	0.895	79%	0.785	S	S	*	*			trans	-55.9	134.5	171	-46	0	0	0	0	113.1
249	S	24.2	Very low	23.1	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	78%	0.781	S	S	*	*			trans	-174.5	93	148.5	-176.9	0	0	0	0	109.1
250	M	24.6	Very low	23.2	Very low	164 Å²	164	138.9 Å²	138.9	81%	0.808	78%	0.784	S	S	*	*				63.3	83.7	106.9	-77.9	-142.8	156	0	0	115.5
251	Y	22.5	Very low	23.5	Very low	231 Å²	231	141.7 Å²	141.7	91%	0.906	80%	0.798	S	S	*	*			trans	-116.6	101.3	144.8	-95.5	-88.2	0	0	0	108.3
252	S	18.9	Very low	23.6	Very low	91 Å²	91	143.5 Å²	143.5	64%	0.636	80%	0.802	S	S	*	*			trans	-120.6	103.3	171.7	55.9	0	0	0	0	108.4
253	I	23.1	Very low	23.4	Very low	150 Å²	150	148.7 Å²	148.7	77%	0.769	82%	0.815	S	S	*	*			trans	-133.5	91.9	162.8	-59.5	-179.1	0	0	0	108.3
254	I	21.2	Very low	23.5	Very low	146 Å²	146	147 Å²	147	75%	0.749	82%	0.815	S	S	*	*			trans	46	99.9	133.5	-51.7	171.3	0	0	0	116.2	T256	I254-T256 HydrophobicContact CG2-CG2 4.22Å
255	R	21.6	Very low	23.7	Very low	241 Å²	241	147.8 Å²	147.8	91%	0.909	81%	0.813	S	S	*	*			trans	-93	112.5	164.5	-163.9	-178.3	-77.5	-130.3	1.5	107
256	T	25.3	Very low	23.7	Very low	122 Å²	122	147.7 Å²	147.7	75%	0.748	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-83.3	143.5	174.9	43.6	0	0	0	0	111	I254	I254-T256 HydrophobicContact CG2-CG2 4.22Å
257	P	26.1	Very low	23.9	Very low	123 Å²	123	144.6 Å²	144.6	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-93.9	142.4	-166.2	0.7	21.2	0	0	0	112.9
258	S	24	Very low	23.9	Very low	111 Å²	111	148.9 Å²	148.9	78%	0.776	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-62.3	142.3	173.4	-47.5	0	0	0	0	112.3	T260	S258-T260 PolarHBondContact O-N 3.45Å
259	P	25.1	Very low	24.1	Very low	121 Å²	121	151.7 Å²	151.7	79%	0.786	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-76.7	122.4	179.8	30.6	-32	0	0	0	111.1
260	T	23.6	Very low	24	Very low	140 Å²	140	155.2 Å²	155.2	86%	0.859	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63.1	120.3	163.2	15	0	0	0	0	110	S258	S258-T260 PolarHBondContact O-N 3.45Å
261	V	27.1	Very low	24.1	Very low	140 Å²	140	155.6 Å²	155.6	85%	0.848	81%	0.813	S	S	*	*			trans	-112.7	124.3	164.7	178.6	0	0	0	0	108.1
262	Q	25	Very low	24.2	Very low	182 Å²	182	149.6 Å²	149.6	85%	0.85	80%	0.801	S	S	*	*			trans	-67.9	135.8	-167	-69.3	167.8	-41.5	0	0	112.6	S264	Q262-S264 PolarHBondContact O-N 3.13Å
263	Q	20.9	Very low	24.5	Very low	202 Å²	202	150.8 Å²	150.8	94%	0.944	81%	0.809	S	S	*	*			trans	-62	118.1	159.7	-77	168.4	-43	0	0	108.8
264	S	24.4	Very low	24.6	Very low	107 Å²	107	150 Å²	150	75%	0.748	81%	0.811	S	S	*	*			trans	-122.2	130	159.5	54.9	0	0	0	0	109.4	Q262	Q262-S264 PolarHBondContact O-N 3.13Å
265	H	25.6	Very low	24.9	Very low	165 Å²	165	148.3 Å²	148.3	76%	0.764	81%	0.81	S	S	*	*			trans	-64.1	121.9	-176.6	-152.1	-93.1	0	0	0	109.5	D267	H265-D267 IonicContact CE1-OD1 3.63Å; H265-D267 PolarHBondContact CE1-OD1 3.46Å; H265-D267 IonicContact ND1-OD1 2.84Å; H265-D267 PolarHBondContact ND1-OD1 3.14Å
266	L	26.7	Very low	25.3	Very low	164 Å²	164	142 Å²	142	86%	0.859	80%	0.798	S	S	*	*			trans	-134.4	118.9	164.8	-103.2	146.1	0	0	0	107.5
267	D	25.9	Very low	25.4	Very low	123 Å²	123	147.8 Å²	147.8	66%	0.658	81%	0.806	S	S	*	*			trans	-68.8	138.4	-160.6	-62.6	-52.5	0	0	0	112.9	H265 E269	H265-D267 IonicContact CE1-OD1 3.63Å; H265-D267 PolarHBondContact CE1-OD1 3.46Å; H265-D267 IonicContact ND1-OD1 2.84Å; H265-D267 PolarHBondContact ND1-OD1 3.14Å; D267-E269 PolarHBondContact O-N 3.31Å; D267-E269 VanDerWaalsContact O-N 3.12Å
268	N	24.5	Very low	25.5	Very low	166 Å²	166	151.4 Å²	151.4	89%	0.888	80%	0.804	S	S	*	*			trans	-73.4	91	171.2	-84.1	-34	0	0	0	109.9	F270	N268-F270 PolarHBondContact O-N 2.81Å
269	E	25	Very low	25.9	Very low	188 Å²	188	152.9 Å²	152.9	88%	0.879	80%	0.803	S	S	*	*			trans	-81.4	93.9	158.3	-80.1	-168.6	164.9	0	0	110.3	D267 L271	D267-E269 PolarHBondContact O-N 3.31Å; D267-E269 VanDerWaalsContact O-N 3.12Å; E269-L271 PolarHBondContact O-N 2.92Å
270	F	22.7	Very low	26.3	Very low	183 Å²	183	156.7 Å²	156.7	80%	0.803	81%	0.807	S	S	*	*			trans	-12.9	98.6	149.9	-139.2	-98.9	0	0	0	116.5	N268 T272	N268-F270 PolarHBondContact O-N 2.81Å; F270-T272 HydrophobicContact CD1-CG2 4.31Å; F270-T272 HydrophobicContact CE1-CG2 3.89Å; F270-T272 HydrophobicContact CZ-CG2 4.42Å
271	L	27.8	Very low	26.9	Very low	171 Å²	171	157.2 Å²	157.2	90%	0.895	80%	0.804	S	S	*	*			trans	-135.8	108.6	144.8	-80.8	178.6	0	0	0	110.2	E269	E269-L271 PolarHBondContact O-N 2.92Å
272	T	24.3	Very low	27.7	Very low	105 Å²	105	155.5 Å²	155.5	64%	0.644	79%	0.794	S	S	*	*			trans	-59.3	127.3	171.8	52.5	0	0	0	0	111.9	F270	F270-T272 HydrophobicContact CD1-CG2 4.31Å; F270-T272 HydrophobicContact CE1-CG2 3.89Å; F270-T272 HydrophobicContact CZ-CG2 4.42Å
273	S	23.7	Very low	28.7	Very low	116 Å²	116	153.5 Å²	153.5	81%	0.811	79%	0.789	S	S	*	*			trans	163.7	74.4	138.5	49.4	0	0	0	0	112.1
274	T	26.5	Very low	29.9	Very low	134 Å²	134	149.6 Å²	149.6	82%	0.822	78%	0.775	S	S	*	*			trans	-103.5	118.6	160.3	46.8	0	0	0	0	109	V276	T274-V276 PolarHBondContact O-N 2.96Å
275	P	28	Very low	31	Very low	111 Å²	111	149.2 Å²	149.2	72%	0.721	76%	0.763	S	S	*	*			trans	-73	128.2	-167.7	27	-32.1	0	0	0	111.6	W277	P275-W277 PolarHBondContact O-N 2.92Å
276	V	28.6	Very low	32.3	Very low	108 Å²	108	148.7 Å²	148.7	66%	0.655	76%	0.761	S	S	*	*			trans	-68.4	93.4	175.6	177	0	0	0	0	109.3	T274 R278	T274-V276 PolarHBondContact O-N 2.96Å; V276-R278 VanDerWaalsContact C-N 3.35Å; V276-R278 HydrophobicContact CG1-CB 3.74Å; V276-R278 PolarHBondContact O-N 3.38Å
277	W	28.4	Very low	33.9	Very low	243 Å²	243	144.6 Å²	144.6	92%	0.92	74%	0.744	S	S	*	*			trans	-92.5	79.6	157.4	-81.1	68.6	0	0	0	108	P275	P275-W277 PolarHBondContact O-N 2.92Å
278	R	27.5	Very low	35.6	Very low	199 Å²	199	143.2 Å²	143.2	75%	0.751	74%	0.74	S	S	*	*			trans	-84.3	117.1	172.3	-147.3	-179.2	-70.2	-112.3	3.7	107.9	V276	V276-R278 VanDerWaalsContact C-N 3.35Å; V276-R278 HydrophobicContact CG1-CB 3.74Å; V276-R278 PolarHBondContact O-N 3.38Å
279	N	32.8	Very low	37.7	Very low	143 Å²	143	140.6 Å²	140.6	77%	0.765	72%	0.723	S	S	*	*			trans	34.6	99.9	151.7	-59.2	-7.1	0	0	0	118
280	K	34.1	Very low	39.8	Very low	201 Å²	201	138.2 Å²	138.2	87%	0.874	71%	0.713	S	S	*	*			trans	-137	78	153.5	-82.6	-170.5	175.4	-176.5	0	109.1
281	L	35.5	Very low	42.3	Very low	151 Å²	151	135.8 Å²	135.8	79%	0.791	71%	0.705	S	S	*	*			trans	-165.8	61.8	170	-110	133.7	0	0	0	108.3
282	T	44.2	Very low	44.3	Very low	103 Å²	103	134 Å²	134	63%	0.632	69%	0.686	S	S	*	*			trans	-127	-3.9	174.3	49.8	0	0	0	0	113.8
283	D	45.6	Very low	46.8	Very low	140 Å²	140	132.8 Å²	132.8	75%	0.749	68%	0.675	S	S	*	*	S	Bend	trans	-100.4	-5	-168.2	-60.7	-5.6	0	0	0	113.6
284	D	46.1	Very low	49.5	Very low	121 Å²	121	131.6 Å²	131.6	65%	0.647	66%	0.66	S	S	*	*	S	Bend	trans	-103.6	1	-176.9	-62.3	-35.4	0	0	0	114.4
285	I	48.6	Very low	51.8	Low	99 Å²	99	129.5 Å²	129.5	51%	0.508	64%	0.643	S	S	.	*	H	α-helix	trans	-82.5	-37.3	-174.9	-58.7	175.8	0	0	0	111.9	V288 E289	I285-V288 PolarHBondContact O-N 2.86Å; I285-E289 HydrophobicContact CG2-CG 4.16Å; I285-E289 PolarHBondContact O-N 3.33Å
286	E	53	Low	54.1	Low	153 Å²	153	129.3 Å²	129.3	72%	0.715	63%	0.631	S	S	*	*	H	α-helix	trans	-57.5	-43.8	-178.5	-69.4	-171.2	168.1	0	0	115.1	V288 E289 M290	E286-V288 VanDerWaalsContact C-N 3.31Å; E286-V288 PolarHBondContact O-N 3.46Å; E286-E289 PolarHBondContact O-N 3.49Å; E286-M290 PolarHBondContact O-N 2.88Å; E286-M290 VanDerWaalsContact O-N 3.13Å
287	P	59.8	Low	56.3	Low	78 Å²	78	129.4 Å²	129.4	51%	0.506	62%	0.624	S	S	.	*	H	α-helix	trans	-65.8	-33.4	180	21.3	-30.3	0	0	0	112.9	E291	P287-E291 PolarHBondContact O-N 3.16Å; P287-E291 VanDerWaalsContact O-N 3.09Å
288	V	60.7	Low	58.4	Low	95 Å²	95	121.8 Å²	121.8	58%	0.576	60%	0.599	S	S	*	*	H	α-helix	trans	-71.1	-38.9	179.2	-179.4	0	0	0	0	111.2	I285 E286 E291 R292	I285-V288 PolarHBondContact O-N 2.86Å; E286-V288 VanDerWaalsContact C-N 3.31Å; E286-V288 PolarHBondContact O-N 3.46Å; V288-E291 PolarHBondContact O-N 3.2Å; V288-R292 WeakPolarHBondContact O-CB 3.39Å; V288-R292 PolarHBondContact O-N 3.33Å
289	E	68.1	Low	60.1	Low	110 Å²	110	117.5 Å²	117.5	51%	0.514	59%	0.587	S	S	.	*	H	α-helix	trans	-65.5	-41.8	176.5	-69.1	-173	165	0	0	111.6	I285 E286 E291 R292 D293	I285-E289 HydrophobicContact CG2-CG 4.16Å; I285-E289 PolarHBondContact O-N 3.33Å; E286-E289 PolarHBondContact O-N 3.49Å; E289-E291 PolarHBondContact O-N 3Å; E289-R292 PolarHBondContact O-N 3.5Å; E289-D293 PolarHBondContact O-N 3Å
290	M	70.4	Confident	61.5	Low	139 Å²	139	115.5 Å²	115.5	69%	0.685	58%	0.577	S	S	*	*	H	α-helix	trans	-63	-41.6	177	-164.1	-174.7	-55.5	0	0	112.1	E286 D293 N294	E286-M290 PolarHBondContact O-N 2.88Å; E286-M290 VanDerWaalsContact O-N 3.13Å; M290-D293 PolarHBondContact O-N 3.33Å; M290-N294 WeakPolarHBondContact O-CB 3.38Å; M290-N294 PolarHBondContact O-N 3.19Å
291	E	74.4	Confident	62.9	Low	132 Å²	132	111.1 Å²	111.1	62%	0.617	56%	0.56	S	S	*	*	H	α-helix	trans	-66.1	-41.1	177.7	-164.1	175.3	-160.4	0	0	111.8	P287 V288 E289 D293 N294 L295	P287-E291 PolarHBondContact O-N 3.16Å; P287-E291 VanDerWaalsContact O-N 3.09Å; V288-E291 PolarHBondContact O-N 3.2Å; E289-E291 PolarHBondContact O-N 3Å; E291-D293 PolarHBondContact O-N 2.85Å; E291-N294 PolarHBondContact O-N 3.25Å; E291-L295 PolarHBondContact O-N 3.34Å
292	R	70.5	Confident	63.8	Low	134 Å²	134	111.1 Å²	111.1	51%	0.506	55%	0.549	S	S	.	.	H	α-helix	trans	-63.4	-40.5	176.5	-169.5	-161.2	68.7	156.9	-2.6	112.2	V288 E289 L295 K296	V288-R292 WeakPolarHBondContact O-CB 3.39Å; V288-R292 PolarHBondContact O-N 3.33Å; E289-R292 PolarHBondContact O-N 3.5Å; R292-L295 PolarHBondContact O-N 3.16Å; R292-K296 PolarHBondContact O-N 3.46Å
293	D	76.9	Confident	63.9	Low	79 Å²	79	112.2 Å²	112.2	42%	0.422	55%	0.547	S	S	.	.	H	α-helix	trans	-71.6	-34.2	179.7	-71.9	-5.5	0	0	0	111.4	E289 M290 E291 K296 Q297	E289-D293 PolarHBondContact O-N 3Å; M290-D293 PolarHBondContact O-N 3.33Å; E291-D293 PolarHBondContact O-N 2.85Å; D293-K296 WeakPolarHBondContact O-CB 3.41Å; D293-K296 PolarHBondContact O-N 3.3Å; D293-Q297 PolarHBondContact O-N 3.49Å
294	N	80.4	Confident	64.1	Low	91 Å²	91	109.6 Å²	109.6	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-65.7	-40.8	173.3	-148.6	-6	0	0	0	111.9	M290 E291 Q297 Q298	M290-N294 WeakPolarHBondContact O-CB 3.38Å; M290-N294 PolarHBondContact O-N 3.19Å; E291-N294 PolarHBondContact O-N 3.25Å; N294-Q297 PolarHBondContact O-N 2.69Å; N294-Q298 WeakPolarHBondContact O-CG 3.3Å; N294-Q298 PolarHBondContact O-N 3.38Å
295	L	74.9	Confident	64.3	Low	89 Å²	89	111.6 Å²	111.6	47%	0.466	54%	0.539	S	S	.	.	H	α-helix	trans	-61.4	-42.6	172.3	-92.3	152.7	0	0	0	112.6	E291 R292 Q297 Q298 Q299	E291-L295 PolarHBondContact O-N 3.34Å; R292-L295 PolarHBondContact O-N 3.16Å; L295-Q297 VanDerWaalsContact C-N 3.33Å; L295-Q298 PolarHBondContact O-N 3.36Å; L295-Q299 WeakPolarHBondContact O-CG 3.17Å; L295-Q299 PolarHBondContact O-N 3.48Å
296	K	76.6	Confident	64.5	Low	107 Å²	107	111.8 Å²	111.8	47%	0.465	54%	0.54	S	S	.	.	H	α-helix	trans	-61.5	-41.1	173.8	-88.6	-180	174.9	176	0	112	R292 D293 Q299 N300	R292-K296 PolarHBondContact O-N 3.46Å; D293-K296 WeakPolarHBondContact O-CB 3.41Å; D293-K296 PolarHBondContact O-N 3.3Å; K296-Q299 PolarHBondContact O-N 3.39Å; K296-N300 PolarHBondContact O-N 3.48Å
297	Q	73.8	Confident	64.8	Low	111 Å²	111	108.7 Å²	108.7	52%	0.519	53%	0.529	S	S	.	.	H	α-helix	trans	-64.9	-43.6	177.3	-169.3	166.4	-3.5	0	0	111.3	D293 N294 L295 Q299 N300 E301	D293-Q297 PolarHBondContact O-N 3.49Å; N294-Q297 PolarHBondContact O-N 2.69Å; L295-Q297 VanDerWaalsContact C-N 3.33Å; Q297-Q299 VanDerWaalsContact C-N 3.32Å; Q297-Q299 PolarHBondContact O-N 3.21Å; Q297-N300 PolarHBondContact O-N 3.39Å; Q297-E301 WeakPolarHBondContact O-CB 3.46Å; Q297-E301 WeakPolarHBondContact O-CG 3.48Å; Q297-E301 PolarHBondContact O-N 3.5Å
298	Q	72.9	Confident	64.6	Low	82 Å²	82	109.4 Å²	109.4	38%	0.383	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-32.6	174.4	-70.9	-179.8	23.4	0	0	113.6	N294 L295 R302	N294-Q298 WeakPolarHBondContact O-CG 3.3Å; N294-Q298 PolarHBondContact O-N 3.38Å; L295-Q298 PolarHBondContact O-N 3.36Å; Q298-R302 WeakPolarHBondContact O-CB 3.32Å; Q298-R302 PolarHBondContact O-N 3.27Å
299	Q	63	Low	64.6	Low	109 Å²	109	107.3 Å²	107.3	51%	0.509	52%	0.518	S	S	.	.	H	α-helix	trans	-68.3	-47.4	173	-80.3	-180	-17.9	0	0	111	L295 K296 Q297 E301 R302 E303	L295-Q299 WeakPolarHBondContact O-CG 3.17Å; L295-Q299 PolarHBondContact O-N 3.48Å; K296-Q299 PolarHBondContact O-N 3.39Å; Q297-Q299 VanDerWaalsContact C-N 3.32Å; Q297-Q299 PolarHBondContact O-N 3.21Å; Q299-E301 VanDerWaalsContact C-N 3.31Å; Q299-E301 PolarHBondContact O-N 3.22Å; Q299-R302 PolarHBondContact O-N 3.45Å; Q299-E303 WeakPolarHBondContact O-CB 3.25Å; Q299-E303 WeakPolarHBondContact O-CG 3.36Å; Q299-E303 PolarHBondContact O-N 2.94Å
300	N	62.4	Low	63.7	Low	102 Å²	102	105.4 Å²	105.4	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-59.8	-40.3	175.4	-82.2	-10.2	0	0	0	112	K296 Q297 T304	K296-N300 PolarHBondContact O-N 3.48Å; Q297-N300 PolarHBondContact O-N 3.39Å; N300-T304 WeakPolarHBondContact O-CB 3.49Å; N300-T304 WeakPolarHBondContact O-CG2 3.29Å; N300-T304 PolarHBondContact O-N 3.04Å; N300-T304 PolarHBondContact O-OG1 2.75Å
301	E	63.5	Low	62.8	Low	109 Å²	109	103.4 Å²	103.4	51%	0.509	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-42.5	174.9	-74.3	176.7	-173.3	0	0	111.9	Q297 Q299 T304 F305	Q297-E301 WeakPolarHBondContact O-CB 3.46Å; Q297-E301 WeakPolarHBondContact O-CG 3.48Å; Q297-E301 PolarHBondContact O-N 3.5Å; Q299-E301 VanDerWaalsContact C-N 3.31Å; Q299-E301 PolarHBondContact O-N 3.22Å; E301-T304 WeakPolarHBondContact CA-OG1 3.45Å; E301-T304 PolarHBondContact O-OG1 3.47Å; E301-F305 VanDerWaalsContact O-CB 3.31Å; E301-F305 WeakPolarHBondContact O-CB 3.4Å; E301-F305 PolarHBondContact O-N 2.63Å
302	R	53.6	Low	61.8	Low	150 Å²	150	101.6 Å²	101.6	57%	0.566	49%	0.491	S	S	*	.	H	α-helix	trans	-64.5	-45.3	174.3	-96.4	-177	-86.2	-143.4	-6.1	112.6	Q298 Q299 F305 I306	Q298-R302 WeakPolarHBondContact O-CB 3.32Å; Q298-R302 PolarHBondContact O-N 3.27Å; Q299-R302 PolarHBondContact O-N 3.45Å; R302-F305 PolarHBondContact O-N 3.19Å; R302-I306 WeakPolarHBondContact O-CB 3.46Å; R302-I306 VanDerWaalsContact O-CG1 3.24Å; R302-I306 WeakPolarHBondContact O-CG1 3.42Å; R302-I306 PolarHBondContact O-N 2.99Å
303	E	47.8	Very low	60.8	Low	126 Å²	126	102.2 Å²	102.2	59%	0.589	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-41.8	178.9	-74.3	-173.5	177.8	0	0	111.6	Q299 N307	Q299-E303 WeakPolarHBondContact O-CB 3.25Å; Q299-E303 WeakPolarHBondContact O-CG 3.36Å; Q299-E303 PolarHBondContact O-N 2.94Å; E303-N307 WeakPolarHBondContact O-CB 3.42Å; E303-N307 PolarHBondContact O-N 2.8Å
304	T	48.8	Very low	59.1	Low	85 Å²	85	107.6 Å²	107.6	52%	0.521	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-38.5	174.8	51.7	0	0	0	0	111.8	N300 E301 N307 E308	N300-T304 WeakPolarHBondContact O-CB 3.49Å; N300-T304 WeakPolarHBondContact O-CG2 3.29Å; N300-T304 PolarHBondContact O-N 3.04Å; N300-T304 PolarHBondContact O-OG1 2.75Å; E301-T304 WeakPolarHBondContact CA-OG1 3.45Å; E301-T304 PolarHBondContact O-OG1 3.47Å; T304-N307 PolarHBondContact O-N 2.88Å; T304-E308 PolarHBondContact O-N 3.45Å
305	F	51.2	Low	57.4	Low	163 Å²	163	110 Å²	110	72%	0.715	51%	0.514	S	S	*	.	H	α-helix	trans	-68.1	-43.7	176.7	-151.1	-86.6	0	0	0	112.8	E301 R302 N307 E308 A309	E301-F305 VanDerWaalsContact O-CB 3.31Å; E301-F305 WeakPolarHBondContact O-CB 3.4Å; E301-F305 PolarHBondContact O-N 2.63Å; R302-F305 PolarHBondContact O-N 3.19Å; F305-N307 VanDerWaalsContact C-N 3.3Å; F305-N307 PolarHBondContact O-N 2.97Å; F305-E308 PolarHBondContact O-N 3.29Å; F305-A309 WeakPolarHBondContact O-CB 3.41Å; F305-A309 PolarHBondContact O-N 3.31Å
306	I	52.8	Low	56.2	Low	103 Å²	103	112.2 Å²	112.2	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-60.4	-43.7	174.3	-68.5	164.6	0	0	0	109.8	R302 E308 A309 D310	R302-I306 WeakPolarHBondContact O-CB 3.46Å; R302-I306 VanDerWaalsContact O-CG1 3.24Å; R302-I306 WeakPolarHBondContact O-CG1 3.42Å; R302-I306 PolarHBondContact O-N 2.99Å; I306-E308 PolarHBondContact O-N 2.81Å; I306-A309 PolarHBondContact O-N 3.15Å; I306-D310 PolarHBondContact O-N 3.26Å
307	N	58.7	Low	54.5	Low	89 Å²	89	114.4 Å²	114.4	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-65.9	-39.3	179.7	-160.7	-19.8	0	0	0	112	E303 T304 F305 D310 K311	E303-N307 WeakPolarHBondContact O-CB 3.42Å; E303-N307 PolarHBondContact O-N 2.8Å; T304-N307 PolarHBondContact O-N 2.88Å; F305-N307 VanDerWaalsContact C-N 3.3Å; F305-N307 PolarHBondContact O-N 2.97Å; N307-D310 PolarHBondContact O-N 3.4Å; N307-K311 WeakPolarHBondContact O-CB 3.39Å; N307-K311 VanDerWaalsContact O-CG 3.25Å; N307-K311 WeakPolarHBondContact O-CG 3.28Å; N307-K311 PolarHBondContact O-N 3.27Å; N307-K311 WeakPolarHBondContact OD1-CE 3.37Å
308	E	55.4	Low	52.9	Low	93 Å²	93	112 Å²	112	44%	0.435	52%	0.522	S	S	.	.	H	α-helix	trans	-68.9	-36.4	173.1	-76.5	-55.9	133.4	0	0	113	T304 F305 I306 K311 M312	T304-E308 PolarHBondContact O-N 3.45Å; F305-E308 PolarHBondContact O-N 3.29Å; I306-E308 PolarHBondContact O-N 2.81Å; E308-K311 PolarHBondContact O-N 3.26Å; E308-K311 VanDerWaalsContact OE1-CD 3.26Å; E308-K311 WeakPolarHBondContact OE1-CD 3.31Å; E308-K311 IonicContact OE1-NZ 2.72Å; E308-K311 PolarHBondContact OE1-NZ 3.43Å; E308-M312 VanDerWaalsContact O-CB 3.32Å; E308-M312 WeakPolarHBondContact O-CB 3.32Å; E308-M312 PolarHBondContact O-N 3Å
309	A	60.8	Low	51.3	Low	50 Å²	50	114.6 Å²	114.6	41%	0.413	53%	0.528	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174.1	0	0	0	0	0	111.7	F305 I306 M312 K313	F305-A309 WeakPolarHBondContact O-CB 3.41Å; F305-A309 PolarHBondContact O-N 3.31Å; I306-A309 PolarHBondContact O-N 3.15Å; A309-M312 WeakPolarHBondContact O-CB 3.38Å; A309-M312 PolarHBondContact O-N 3.06Å; A309-K313 PolarHBondContact O-N 3.47Å
310	D	48.9	Very low	50.2	Low	71 Å²	71	115.1 Å²	115.1	38%	0.38	53%	0.531	S	S	.	.	H	α-helix	trans	-69.5	-43	175.9	-77.9	-23.4	0	0	0	112.2	I306 N307 M312 K313 W314	I306-D310 PolarHBondContact O-N 3.26Å; N307-D310 PolarHBondContact O-N 3.4Å; D310-M312 PolarHBondContact O-N 2.84Å; D310-K313 PolarHBondContact O-N 3.05Å; D310-W314 PolarHBondContact O-N 3.31Å
311	K	52.7	Low	49.2	Very low	97 Å²	97	114.9 Å²	114.9	42%	0.422	53%	0.529	S	S	.	.	H	α-helix	trans	-56	-36.9	170	-76.3	174.5	-165.7	169.6	0	111.1	N307 E308 W314 R315	N307-K311 WeakPolarHBondContact O-CB 3.39Å; N307-K311 VanDerWaalsContact O-CG 3.25Å; N307-K311 WeakPolarHBondContact O-CG 3.28Å; N307-K311 PolarHBondContact O-N 3.27Å; N307-K311 WeakPolarHBondContact OD1-CE 3.37Å; E308-K311 PolarHBondContact O-N 3.26Å; E308-K311 VanDerWaalsContact OE1-CD 3.26Å; E308-K311 WeakPolarHBondContact OE1-CD 3.31Å; E308-K311 IonicContact OE1-NZ 2.72Å; E308-K311 PolarHBondContact OE1-NZ 3.43Å; K311-W314 PolarHBondContact O-N 2.84Å; K311-R315 WeakPolarHBondContact O-CB 3.23Å; K311-R315 VanDerWaalsContact O-CG 3.29Å; K311-R315 WeakPolarHBondContact O-CG 3.41Å; K311-R315 PolarHBondContact O-N 3.47Å
312	M	53	Low	47.8	Very low	93 Å²	93	113.3 Å²	113.3	46%	0.458	52%	0.524	S	S	.	.	H	α-helix	trans	-71.8	-40.5	177.6	-170.1	142.4	-68.9	0	0	112.7	E308 A309 D310 W314 R315 K316	E308-M312 VanDerWaalsContact O-CB 3.32Å; E308-M312 WeakPolarHBondContact O-CB 3.32Å; E308-M312 PolarHBondContact O-N 3Å; A309-M312 WeakPolarHBondContact O-CB 3.38Å; A309-M312 PolarHBondContact O-N 3.06Å; D310-M312 PolarHBondContact O-N 2.84Å; M312-W314 VanDerWaalsContact C-N 3.35Å; M312-R315 PolarHBondContact O-N 3.44Å; M312-K316 PolarHBondContact O-N 3.34Å
313	K	50	Low	47.2	Very low	147 Å²	147	114.8 Å²	114.8	64%	0.639	53%	0.529	S	S	*	.	H	α-helix	trans	-57.5	-47	169.8	-86.8	178.8	179.3	168.9	0	111	A309 D310 R315 K316 Y317	A309-K313 PolarHBondContact O-N 3.47Å; D310-K313 PolarHBondContact O-N 3.05Å; K313-R315 PolarHBondContact O-N 3.12Å; K313-K316 WeakPolarHBondContact O-CB 3.17Å; K313-K316 PolarHBondContact O-N 3.05Å; K313-K316 VanDerWaalsContact O-N 3.14Å; K313-Y317 PolarHBondContact O-N 3.09Å
314	W	40.6	Very low	46.7	Very low	192 Å²	192	114.2 Å²	114.2	73%	0.727	53%	0.53	S	S	*	.	H	α-helix	trans	-62.1	-40.3	176.6	-84	107.3	0	0	0	112.9	D310 K311 M312 K316 Y317 S318	D310-W314 PolarHBondContact O-N 3.31Å; K311-W314 PolarHBondContact O-N 2.84Å; M312-W314 VanDerWaalsContact C-N 3.35Å; W314-K316 VanDerWaalsContact C-N 3.35Å; W314-K316 PolarHBondContact O-N 3.35Å; W314-Y317 PolarHBondContact O-N 3.48Å; W314-S318 VanDerWaalsContact O-CB 3.31Å; W314-S318 WeakPolarHBondContact O-CB 3.43Å; W314-S318 PolarHBondContact O-N 3.46Å
315	R	45	Very low	46.1	Very low	141 Å²	141	116.8 Å²	116.8	53%	0.532	53%	0.531	S	S	.	.	H	α-helix	trans	-61.1	-41.1	172.8	-80.3	171.5	152.5	-177.3	-5.3	111.8	K311 M312 K313 R319	K311-R315 WeakPolarHBondContact O-CB 3.23Å; K311-R315 VanDerWaalsContact O-CG 3.29Å; K311-R315 WeakPolarHBondContact O-CG 3.41Å; K311-R315 PolarHBondContact O-N 3.47Å; M312-R315 PolarHBondContact O-N 3.44Å; K313-R315 PolarHBondContact O-N 3.12Å; R315-R319 WeakPolarHBondContact O-CB 3.5Å; R315-R319 WeakPolarHBondContact O-CG 3.43Å; R315-R319 PolarHBondContact O-N 3.47Å
316	K	48.5	Very low	45.2	Very low	136 Å²	136	116.9 Å²	116.9	59%	0.591	53%	0.527	S	S	*	.	H	α-helix	trans	-63.9	-46.7	175.4	-74.1	178.6	-179.8	176.9	0	111.2	M312 K313 W314 R319 Q320	M312-K316 PolarHBondContact O-N 3.34Å; K313-K316 WeakPolarHBondContact O-CB 3.17Å; K313-K316 PolarHBondContact O-N 3.05Å; K313-K316 VanDerWaalsContact O-N 3.14Å; W314-K316 VanDerWaalsContact C-N 3.35Å; W314-K316 PolarHBondContact O-N 3.35Å; K316-R319 PolarHBondContact O-N 3.48Å; K316-Q320 PolarHBondContact O-N 3.2Å
317	Y	41.7	Very low	44.3	Very low	154 Å²	154	115 Å²	115	60%	0.604	52%	0.523	S	S	*	.	H	α-helix	trans	-63.1	-46	179.9	-134.9	-92.2	0	0	0	112.3	K313 W314 R319 Q320 I321	K313-Y317 PolarHBondContact O-N 3.09Å; W314-Y317 PolarHBondContact O-N 3.48Å; Y317-R319 PolarHBondContact O-N 3.38Å; Y317-Q320 WeakPolarHBondContact O-CB 3.13Å; Y317-Q320 PolarHBondContact O-N 3.38Å; Y317-Q320 VanDerWaalsContact O-N 3.09Å; Y317-I321 HydrophobicContact CD1-CD1 4.01Å; Y317-I321 HydrophobicContact CD1-CG1 4.48Å; Y317-I321 HydrophobicContact CE1-CD1 4.47Å; Y317-I321 WeakPolarHBondContact O-CG1 3.41Å; Y317-I321 PolarHBondContact O-N 3.15Å
318	S	38.8	Very low	43.1	Very low	61 Å²	61	120 Å²	120	43%	0.427	54%	0.536	S	S	.	.	H	α-helix	trans	-61.8	-41.5	176.1	-179.4	0	0	0	0	112.2	W314 Q320 I321 N322	W314-S318 VanDerWaalsContact O-CB 3.31Å; W314-S318 WeakPolarHBondContact O-CB 3.43Å; W314-S318 PolarHBondContact O-N 3.46Å; S318-Q320 VanDerWaalsContact C-N 3.29Å; S318-Q320 PolarHBondContact O-N 3.26Å; S318-I321 PolarHBondContact O-N 3.35Å; S318-N322 WeakPolarHBondContact O-CB 3.36Å; S318-N322 PolarHBondContact O-N 2.77Å; S318-N322 PolarHBondContact O-ND2 3.44Å
319	R	39.3	Very low	42.1	Very low	135 Å²	135	118 Å²	118	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-63.2	-34.3	173.1	-72.2	173.3	-157.1	169.1	4.9	112.3	R315 K316 Y317 R323	R315-R319 WeakPolarHBondContact O-CB 3.5Å; R315-R319 WeakPolarHBondContact O-CG 3.43Å; R315-R319 PolarHBondContact O-N 3.47Å; K316-R319 PolarHBondContact O-N 3.48Å; Y317-R319 PolarHBondContact O-N 3.38Å; R319-R323 WeakPolarHBondContact O-CB 3.35Å; R319-R323 WeakPolarHBondContact O-CG 2.88Å; R319-R323 PolarHBondContact O-N 3.39Å
320	Q	41.7	Very low	40.7	Very low	121 Å²	121	123.1 Å²	123.1	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-71.8	-43.3	178.8	-162.6	161.1	-3.4	0	0	111.2	K316 Y317 S318 R323 L324	K316-Q320 PolarHBondContact O-N 3.2Å; Y317-Q320 WeakPolarHBondContact O-CB 3.13Å; Y317-Q320 PolarHBondContact O-N 3.38Å; Y317-Q320 VanDerWaalsContact O-N 3.09Å; S318-Q320 VanDerWaalsContact C-N 3.29Å; S318-Q320 PolarHBondContact O-N 3.26Å; Q320-R323 PolarHBondContact O-N 3.37Å; Q320-L324 WeakPolarHBondContact O-CG 3.48Å; Q320-L324 PolarHBondContact O-N 2.79Å
321	I	39.9	Very low	40.2	Very low	96 Å²	96	124.3 Å²	124.3	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-60.8	-46.8	171.8	-68	172.2	0	0	0	110.8	Y317 S318 R323 L324 Y325	Y317-I321 HydrophobicContact CD1-CD1 4.01Å; Y317-I321 HydrophobicContact CD1-CG1 4.48Å; Y317-I321 HydrophobicContact CE1-CD1 4.47Å; Y317-I321 WeakPolarHBondContact O-CG1 3.41Å; Y317-I321 PolarHBondContact O-N 3.15Å; S318-I321 PolarHBondContact O-N 3.35Å; I321-R323 VanDerWaalsContact C-N 3.32Å; I321-R323 PolarHBondContact O-N 3.14Å; I321-L324 PolarHBondContact O-N 3.08Å; I321-Y325 WeakPolarHBondContact O-CB 3.4Å; I321-Y325 PolarHBondContact O-N 3.29Å
322	N	35.2	Very low	39.4	Very low	76 Å²	76	121 Å²	121	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-63.1	-38.3	176.6	-75.5	-29.6	0	0	0	111.6	S318 Y325 Y326	S318-N322 WeakPolarHBondContact O-CB 3.36Å; S318-N322 PolarHBondContact O-N 2.77Å; S318-N322 PolarHBondContact O-ND2 3.44Å; N322-Y325 PolarHBondContact O-N 2.91Å; N322-Y326 HydrophobicContact CB-CD2 4.43Å; N322-Y326 WeakPolarHBondContact O-CB 3.48Å; N322-Y326 WeakPolarHBondContact O-CD2 3.35Å; N322-Y326 PolarHBondContact O-N 3.39Å
323	R	39.8	Very low	38.6	Very low	181 Å²	181	121.7 Å²	121.7	68%	0.683	54%	0.536	S	S	*	.	H	α-helix	trans	-63.6	-41.6	173.1	-86.2	-170.1	-99.6	-150.8	-0.5	112.4	R319 Q320 I321 Y325 Y326 S327	R319-R323 WeakPolarHBondContact O-CB 3.35Å; R319-R323 WeakPolarHBondContact O-CG 2.88Å; R319-R323 PolarHBondContact O-N 3.39Å; Q320-R323 PolarHBondContact O-N 3.37Å; I321-R323 VanDerWaalsContact C-N 3.32Å; I321-R323 PolarHBondContact O-N 3.14Å; R323-Y325 VanDerWaalsContact C-N 3.32Å; R323-Y325 PolarHBondContact O-N 3.4Å; R323-Y326 PolarHBondContact O-N 3.23Å; R323-S327 WeakPolarHBondContact O-CB 3.47Å; R323-S327 PolarHBondContact O-N 3.49Å; R323-S327 PolarHBondContact O-OG 2.83Å
324	L	38.5	Very low	37.9	Very low	114 Å²	114	118.1 Å²	118.1	60%	0.597	53%	0.527	S	S	*	.	H	α-helix	trans	-62.6	-41.4	173.4	-69.3	170.7	0	0	0	110.8	Q320 I321 S327 R328	Q320-L324 WeakPolarHBondContact O-CG 3.48Å; Q320-L324 PolarHBondContact O-N 2.79Å; I321-L324 PolarHBondContact O-N 3.08Å; L324-S327 WeakPolarHBondContact CA-OG 3.47Å; L324-S327 PolarHBondContact O-N 2.88Å; L324-S327 PolarHBondContact O-OG 2.97Å; L324-R328 WeakPolarHBondContact O-CB 3.21Å; L324-R328 PolarHBondContact O-N 3.22Å
325	Y	34.8	Very low	37.7	Very low	139 Å²	139	114.4 Å²	114.4	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-65.9	-45.5	177.1	-165.2	-98.9	0	0	0	112.9	I321 N322 R323 R328 N329	I321-Y325 WeakPolarHBondContact O-CB 3.4Å; I321-Y325 PolarHBondContact O-N 3.29Å; N322-Y325 PolarHBondContact O-N 2.91Å; R323-Y325 VanDerWaalsContact C-N 3.32Å; R323-Y325 PolarHBondContact O-N 3.4Å; Y325-R328 PolarHBondContact O-N 2.93Å; Y325-N329 WeakPolarHBondContact CD1-ND2 3.24Å; Y325-N329 WeakPolarHBondContact CE1-ND2 3.42Å; Y325-N329 WeakPolarHBondContact O-CB 3.44Å; Y325-N329 PolarHBondContact O-N 3.29Å; Y325-N329 PolarHBondContact O-ND2 3.4Å
326	Y	32.2	Very low	37.2	Very low	165 Å²	165	113.2 Å²	113.2	65%	0.647	51%	0.513	S	S	*	.	H	α-helix	trans	-70.1	-32.8	175.1	-79.7	-68.4	0	0	0	112.2	N322 R323 N329 K330	N322-Y326 HydrophobicContact CB-CD2 4.43Å; N322-Y326 WeakPolarHBondContact O-CB 3.48Å; N322-Y326 WeakPolarHBondContact O-CD2 3.35Å; N322-Y326 PolarHBondContact O-N 3.39Å; R323-Y326 PolarHBondContact O-N 3.23Å; Y326-N329 CarbonylContact O-C 3.49Å; Y326-N329 PolarHBondContact O-N 3.17Å; Y326-K330 WeakPolarHBondContact O-CA 3.34Å; Y326-K330 VanDerWaalsContact O-CB 3.28Å; Y326-K330 WeakPolarHBondContact O-CB 3.42Å; Y326-K330 PolarHBondContact O-N 3.2Å
327	S	34	Very low	36.7	Very low	63 Å²	63	113.8 Å²	113.8	44%	0.441	52%	0.516	S	S	.	.	H	α-helix	trans	-66.7	-40.7	174.2	73.7	0	0	0	0	111.2	R323 L324 N329 K330 I331	R323-S327 WeakPolarHBondContact O-CB 3.47Å; R323-S327 PolarHBondContact O-N 3.49Å; R323-S327 PolarHBondContact O-OG 2.83Å; L324-S327 WeakPolarHBondContact CA-OG 3.47Å; L324-S327 PolarHBondContact O-N 2.88Å; L324-S327 PolarHBondContact O-OG 2.97Å; S327-N329 VanDerWaalsContact C-N 3.34Å; S327-K330 WeakPolarHBondContact O-CB 3.38Å; S327-K330 PolarHBondContact O-N 3.25Å; S327-K330 VanDerWaalsContact O-N 3.15Å; S327-I331 PolarHBondContact O-N 2.66Å; S327-I331 VanDerWaalsContact O-N 3.15Å
328	R	35	Very low	36.6	Very low	195 Å²	195	109.7 Å²	109.7	74%	0.736	50%	0.504	S	S	*	.	H	α-helix	trans	-64.4	-38.8	171.9	-159.5	114.4	94.9	122.1	3	111.4	L324 Y325 I331 T332	L324-R328 WeakPolarHBondContact O-CB 3.21Å; L324-R328 PolarHBondContact O-N 3.22Å; Y325-R328 PolarHBondContact O-N 2.93Å; R328-I331 WeakPolarHBondContact O-CB 3.49Å; R328-I331 PolarHBondContact O-N 3.27Å; R328-T332 PolarHBondContact O-N 2.94Å
329	N	32.6	Very low	36.6	Very low	52 Å²	52	113 Å²	113	28%	0.278	51%	0.512	S	S	.	.	H	α-helix	trans	-77.1	-18	172.7	-78.8	-35.2	0	0	0	114.3	Y325 Y326 S327 I331 T332 H333	Y325-N329 WeakPolarHBondContact CD1-ND2 3.24Å; Y325-N329 WeakPolarHBondContact CE1-ND2 3.42Å; Y325-N329 WeakPolarHBondContact O-CB 3.44Å; Y325-N329 PolarHBondContact O-N 3.29Å; Y325-N329 PolarHBondContact O-ND2 3.4Å; Y326-N329 CarbonylContact O-C 3.49Å; Y326-N329 PolarHBondContact O-N 3.17Å; S327-N329 VanDerWaalsContact C-N 3.34Å; N329-I331 VanDerWaalsContact C-N 3.33Å; N329-T332 VanDerWaalsContact CA-OG1 3.3Å; N329-T332 WeakPolarHBondContact CA-OG1 3.46Å; N329-T332 CarbonylContact O-C 3.49Å; N329-T332 PolarHBondContact O-N 3.47Å; N329-T332 PolarHBondContact O-OG1 3.46Å; N329-T332 PolarHBondContact OD1-OG1 3.39Å; N329-H333 WeakPolarHBondContact O-CB 3.47Å; N329-H333 PolarHBondContact O-N 3.4Å
330	K	33.3	Very low	36.4	Very low	156 Å²	156	114.5 Å²	114.5	68%	0.678	52%	0.518	S	S	*	.	H	α-helix	trans	-71.7	-36.7	172.2	-155.4	176	-173.6	-178.8	0	108.9	Y326 S327 T332 H333 T334	Y326-K330 WeakPolarHBondContact O-CA 3.34Å; Y326-K330 VanDerWaalsContact O-CB 3.28Å; Y326-K330 WeakPolarHBondContact O-CB 3.42Å; Y326-K330 PolarHBondContact O-N 3.2Å; S327-K330 WeakPolarHBondContact O-CB 3.38Å; S327-K330 PolarHBondContact O-N 3.25Å; S327-K330 VanDerWaalsContact O-N 3.15Å; K330-T332 VanDerWaalsContact C-N 3.33Å; K330-H333 PolarHBondContact O-N 3.24Å; K330-T334 WeakPolarHBondContact O-CB 3.44Å; K330-T334 WeakPolarHBondContact O-CG2 3.49Å; K330-T334 PolarHBondContact O-N 2.86Å; K330-T334 PolarHBondContact O-OG1 3.16Å
331	I	37	Very low	36.3	Very low	96 Å²	96	116.5 Å²	116.5	49%	0.492	52%	0.524	S	S	.	.	H	α-helix	trans	-57.4	-47.4	167.8	-61	167.6	0	0	0	109.7	S327 R328 N329 H333 T334 Q335	S327-I331 PolarHBondContact O-N 2.66Å; S327-I331 VanDerWaalsContact O-N 3.15Å; R328-I331 WeakPolarHBondContact O-CB 3.49Å; R328-I331 PolarHBondContact O-N 3.27Å; N329-I331 VanDerWaalsContact C-N 3.33Å; I331-H333 PolarHBondContact O-N 3.5Å; I331-T334 VanDerWaalsContact CA-OG1 3.32Å; I331-T334 WeakPolarHBondContact CA-OG1 3.4Å; I331-T334 PolarHBondContact O-N 3.04Å; I331-T334 PolarHBondContact O-OG1 2.71Å; I331-Q335 VanDerWaalsContact O-CG 3.28Å; I331-Q335 WeakPolarHBondContact O-CG 3.28Å; I331-Q335 PolarHBondContact O-N 3.41Å
332	T	36.4	Very low	36.3	Very low	28 Å²	28	118.9 Å²	118.9	17%	0.172	53%	0.531	C	S	.	.	H	α-helix	trans	-67.5	-34.5	177.2	70.2	0	0	0	0	112.5	R328 N329 K330 Q335 R336	R328-T332 PolarHBondContact O-N 2.94Å; N329-T332 VanDerWaalsContact CA-OG1 3.3Å; N329-T332 WeakPolarHBondContact CA-OG1 3.46Å; N329-T332 CarbonylContact O-C 3.49Å; N329-T332 PolarHBondContact O-N 3.47Å; N329-T332 PolarHBondContact O-OG1 3.46Å; N329-T332 PolarHBondContact OD1-OG1 3.39Å; K330-T332 VanDerWaalsContact C-N 3.33Å; T332-Q335 WeakPolarHBondContact O-CB 3.29Å; T332-Q335 PolarHBondContact O-N 3Å; T332-R336 VanDerWaalsContact O-CG 3.25Å; T332-R336 WeakPolarHBondContact O-CG 3.48Å; T332-R336 PolarHBondContact O-N 2.94Å
333	H	35.6	Very low	36.3	Very low	107 Å²	107	123.2 Å²	123.2	50%	0.495	55%	0.547	S	S	.	.	H	α-helix	trans	-72	-38.2	175.8	-164.7	-16	0	0	0	112.2	N329 K330 I331 Q335 R336 K337	N329-H333 WeakPolarHBondContact O-CB 3.47Å; N329-H333 PolarHBondContact O-N 3.4Å; K330-H333 PolarHBondContact O-N 3.24Å; I331-H333 PolarHBondContact O-N 3.5Å; H333-Q335 VanDerWaalsContact C-N 3.29Å; H333-Q335 PolarHBondContact O-N 3.38Å; H333-R336 CarbonylContact O-C 3.18Å; H333-R336 WeakPolarHBondContact O-CA 3.48Å; H333-R336 WeakPolarHBondContact O-CB 3.42Å; H333-R336 PolarHBondContact O-N 3.36Å; H333-R336 VanDerWaalsContact O-N 3.13Å; H333-K337 PolarHBondContact O-N 2.97Å
334	T	35.7	Very low	35.9	Very low	73 Å²	73	121.5 Å²	121.5	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-62.6	-40	172.1	45.6	0	0	0	0	110.6	K330 I331 R336 K337 I338	K330-T334 WeakPolarHBondContact O-CB 3.44Å; K330-T334 WeakPolarHBondContact O-CG2 3.49Å; K330-T334 PolarHBondContact O-N 2.86Å; K330-T334 PolarHBondContact O-OG1 3.16Å; I331-T334 VanDerWaalsContact CA-OG1 3.32Å; I331-T334 WeakPolarHBondContact CA-OG1 3.4Å; I331-T334 PolarHBondContact O-N 3.04Å; I331-T334 PolarHBondContact O-OG1 2.71Å; T334-R336 PolarHBondContact O-N 3.1Å; T334-K337 PolarHBondContact O-N 2.89Å; T334-I338 WeakPolarHBondContact O-CD1 3.48Å; T334-I338 VanDerWaalsContact O-CG1 3.23Å; T334-I338 WeakPolarHBondContact O-CG1 3.48Å; T334-I338 PolarHBondContact O-N 3.48Å
335	Q	36.6	Very low	35.6	Very low	113 Å²	113	123 Å²	123	53%	0.528	55%	0.554	S	S	.	*	H	α-helix	trans	-60.6	-43.2	170.5	-71.7	168.5	-19.5	0	0	111.4	I331 T332 H333 K337 I338 H339	I331-Q335 VanDerWaalsContact O-CG 3.28Å; I331-Q335 WeakPolarHBondContact O-CG 3.28Å; I331-Q335 PolarHBondContact O-N 3.41Å; T332-Q335 WeakPolarHBondContact O-CB 3.29Å; T332-Q335 PolarHBondContact O-N 3Å; H333-Q335 VanDerWaalsContact C-N 3.29Å; H333-Q335 PolarHBondContact O-N 3.38Å; Q335-K337 PolarHBondContact O-N 2.81Å; Q335-I338 PolarHBondContact O-N 3.39Å; Q335-H339 PolarHBondContact O-N 3.31Å
336	R	35	Very low	35.3	Very low	116 Å²	116	121.8 Å²	121.8	44%	0.438	56%	0.564	S	S	.	*	H	α-helix	trans	-60.2	-40	173.9	-68.8	169.7	-154.9	174.7	3.2	112.8	T332 H333 T334 R340	T332-R336 VanDerWaalsContact O-CG 3.25Å; T332-R336 WeakPolarHBondContact O-CG 3.48Å; T332-R336 PolarHBondContact O-N 2.94Å; H333-R336 CarbonylContact O-C 3.18Å; H333-R336 WeakPolarHBondContact O-CA 3.48Å; H333-R336 WeakPolarHBondContact O-CB 3.42Å; H333-R336 PolarHBondContact O-N 3.36Å; H333-R336 VanDerWaalsContact O-N 3.13Å; T334-R336 PolarHBondContact O-N 3.1Å; R336-R340 WeakPolarHBondContact O-CG 3.33Å; R336-R340 PolarHBondContact O-N 3.05Å; R336-R340 VanDerWaalsContact O-N 3.14Å
337	K	37.8	Very low	35.2	Very low	149 Å²	149	120.8 Å²	120.8	65%	0.648	57%	0.57	S	S	*	*	H	α-helix	trans	-72.9	-38.6	-178.5	-161.8	176.1	-176.2	-179.5	0	111.3	H333 T334 Q335	H333-K337 PolarHBondContact O-N 2.97Å; T334-K337 PolarHBondContact O-N 2.89Å; Q335-K337 PolarHBondContact O-N 2.81Å
338	I	38.9	Very low	34.8	Very low	68 Å²	68	121 Å²	121	35%	0.349	58%	0.581	S	S	.	*	H	α-helix	trans	-64	-42.2	174.5	-66.8	164.6	0	0	0	110.1	T334 Q335 K341 F342	T334-I338 WeakPolarHBondContact O-CD1 3.48Å; T334-I338 VanDerWaalsContact O-CG1 3.23Å; T334-I338 WeakPolarHBondContact O-CG1 3.48Å; T334-I338 PolarHBondContact O-N 3.48Å; Q335-I338 PolarHBondContact O-N 3.39Å; I338-K341 WeakPolarHBondContact O-CB 3.44Å; I338-K341 PolarHBondContact O-N 3.26Å; I338-F342 HydrophobicContact CG2-CD2 4.22Å; I338-F342 HydrophobicContact CG2-CE2 3.88Å; I338-F342 WeakPolarHBondContact O-CD2 3.45Å
339	H	39.4	Very low	34.5	Very low	129 Å²	129	118.7 Å²	118.7	60%	0.597	58%	0.584	S	S	*	*	H	α-helix	trans	-75.5	-28.9	-177.1	-149.7	69.2	0	0	0	114.3	Q335 K341 F342 K343	Q335-H339 PolarHBondContact O-N 3.31Å; H339-K341 PolarHBondContact O-N 3Å; H339-F342 PolarHBondContact O-N 3.45Å; H339-F342 VanDerWaalsContact O-N 3.13Å; H339-K343 PolarHBondContact O-N 2.97Å
340	R	36	Very low	34.1	Very low	168 Å²	168	123.9 Å²	123.9	63%	0.634	61%	0.612	S	S	*	*	H	α-helix	trans	-58.6	-31.1	168.7	-77.1	-175.8	-176	-169.8	1	112.4	R336	R336-R340 WeakPolarHBondContact O-CG 3.33Å; R336-R340 PolarHBondContact O-N 3.05Å; R336-R340 VanDerWaalsContact O-N 3.14Å
341	K	38.5	Very low	33.9	Very low	162 Å²	162	124 Å²	124	70%	0.704	62%	0.618	S	S	*	*	H	α-helix	trans	-71.5	-32.3	176.1	-73.2	-167.3	171.9	-167.4	0	112.8	I338 H339	I338-K341 WeakPolarHBondContact O-CB 3.44Å; I338-K341 PolarHBondContact O-N 3.26Å; H339-K341 PolarHBondContact O-N 3Å
342	F	40.4	Very low	33.4	Very low	146 Å²	146	128.2 Å²	128.2	64%	0.64	63%	0.633	S	S	*	*	H	α-helix	trans	-81.6	-27.8	-179	-74.9	-74.5	0	0	0	113.8	I338 H339 N344 H345	I338-F342 HydrophobicContact CG2-CD2 4.22Å; I338-F342 HydrophobicContact CG2-CE2 3.88Å; I338-F342 WeakPolarHBondContact O-CD2 3.45Å; H339-F342 PolarHBondContact O-N 3.45Å; H339-F342 VanDerWaalsContact O-N 3.13Å; F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 PolarHBondContact O-N 3.32Å; F342-H345 PolarHBondContact O-N 3.06Å
343	K	34.3	Very low	32.7	Very low	168 Å²	168	136.4 Å²	136.4	73%	0.73	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-3.6	-179.7	-146.7	179.6	-177.7	176.6	0	114.8	H339 H345	H339-K343 PolarHBondContact O-N 2.97Å; K343-H345 PolarHBondContact O-N 3.43Å
344	N	33	Very low	32	Very low	145 Å²	145	138.4 Å²	138.4	78%	0.775	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	4.4	167.5	-72.6	-1.2	0	0	0	112.3	F342	F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 PolarHBondContact O-N 3.32Å
345	H	31.5	Very low	31.5	Very low	144 Å²	144	140.5 Å²	140.5	67%	0.667	70%	0.695	S	S	*	*	S	Bend	trans	-85.1	120.8	164.8	-119.4	-83.5	0	0	0	109.9	F342 K343 D347	F342-H345 PolarHBondContact O-N 3.06Å; K343-H345 PolarHBondContact O-N 3.43Å; H345-D347 VanDerWaalsContact C-N 3.31Å; H345-D347 PolarHBondContact O-N 3.01Å
346	P	29	Very low	31	Very low	115 Å²	115	140.7 Å²	140.7	75%	0.747	70%	0.704	S	S	*	*			trans	-81.9	73.7	-173.2	34.1	-34	0	0	0	110.6	G348	P346-G348 PolarHBondContact O-N 3.13Å
347	D	29.5	Very low	30.5	Very low	144 Å²	144	141.6 Å²	141.6	77%	0.77	72%	0.723	S	S	*	*			trans	-93.2	99.6	169.4	-72.5	-23.1	0	0	0	109.2	H345 N349	H345-D347 VanDerWaalsContact C-N 3.31Å; H345-D347 PolarHBondContact O-N 3.01Å; D347-N349 PolarHBondContact O-N 3.07Å
348	G	25.6	Very low	29.8	Very low	66 Å²	66	139 Å²	139	68%	0.68	72%	0.723	S	S	*	*			trans	-60.5	119.9	169.8	0	0	0	0	0	110.3	P346	P346-G348 PolarHBondContact O-N 3.13Å
349	N	27.7	Very low	29.1	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	74%	0.743	S	S	*	*			trans	-143.3	89.2	153.9	-94.7	-29.2	0	0	0	107.7	D347 I351	D347-N349 PolarHBondContact O-N 3.07Å; N349-I351 PolarHBondContact O-N 3.17Å
350	N	25	Very low	28.5	Very low	162 Å²	162	144.4 Å²	144.4	87%	0.866	75%	0.752	S	S	*	*			trans	-62	81.7	163.7	-83.2	-40.4	0	0	0	108.7	K352	N350-K352 PolarHBondContact O-N 2.84Å
351	I	28.6	Very low	27.9	Very low	157 Å²	157	141 Å²	141	81%	0.805	76%	0.759	S	S	*	*			trans	-78.7	110.1	167.3	-62.1	177.7	0	0	0	107	N349	N349-I351 PolarHBondContact O-N 3.17Å
352	K	26.6	Very low	27.4	Very low	185 Å²	185	139.5 Å²	139.5	80%	0.804	76%	0.759	S	S	*	*			trans	-59.3	135.3	-173.7	-69.6	172.5	175.3	177.1	0	111.3	N350 N354	N350-K352 PolarHBondContact O-N 2.84Å; K352-N354 PolarHBondContact O-N 2.88Å
353	K	22.2	Very low	26.6	Very low	201 Å²	201	140.3 Å²	140.3	87%	0.874	77%	0.771	S	S	*	*			trans	-66.4	121.6	165.2	-64.7	171.1	177.5	176.1	0	108.5
354	N	21.8	Very low	26.4	Very low	149 Å²	149	138.2 Å²	138.2	80%	0.797	77%	0.772	S	S	*	*			trans	-107.1	114.8	160.3	-78.4	-8.9	0	0	0	108.3	K352	K352-N354 PolarHBondContact O-N 2.88Å
355	P	24.8	Very low	26	Very low	116 Å²	116	140.9 Å²	140.9	75%	0.753	78%	0.776	S	S	*	*			trans	-95.1	119.2	167.1	31.7	-22	0	0	0	109.3
356	T	25.8	Very low	25.8	Very low	117 Å²	117	141.3 Å²	141.3	72%	0.718	78%	0.779	S	S	*	*			trans	-141.2	109.8	167.7	48.6	0	0	0	0	110.8
357	T	24.2	Very low	25.7	Very low	136 Å²	136	140.3 Å²	140.3	83%	0.834	77%	0.774	S	S	*	*			trans	66.3	124.4	132.2	58.4	0	0	0	0	120.8
358	S	22.6	Very low	25.6	Very low	93 Å²	93	141 Å²	141	65%	0.65	78%	0.778	S	S	*	*			trans	-59.5	173.6	165.3	47.2	0	0	0	0	114
359	E	23.8	Very low	25.7	Very low	165 Å²	165	142 Å²	142	77%	0.771	77%	0.77	S	S	*	*			trans	88.1	90.5	163.1	-62.7	155.6	-139.4	0	0	114.9
360	D	27.3	Very low	25.7	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	77%	0.771	S	S	*	*				-177.2	102	111	-84.7	-22.9	0	0	0	109.8	N362	D360-N362 PolarHBondContact O-N 3.06Å
361	A	24.4	Very low	25.7	Very low	96 Å²	96	139.2 Å²	139.2	79%	0.793	76%	0.757	S	S	*	*			trans	-76.9	94.6	168.8	0	0	0	0	0	108.1
362	N	27.7	Very low	25.5	Very low	132 Å²	132	133.3 Å²	133.3	71%	0.706	73%	0.73	S	S	*	*			trans	-101.4	101.3	166.5	-78.9	-43.8	0	0	0	108.6	D360 V364	D360-N362 PolarHBondContact O-N 3.06Å; N362-V364 PolarHBondContact O-N 3.23Å
363	D	23.8	Very low	25.7	Very low	163 Å²	163	135.3 Å²	135.3	87%	0.872	73%	0.732	S	S	*	*			trans	-63	78.4	170.9	-75.1	-39.8	0	0	0	110.2	K365	D363-K365 PolarHBondContact O-N 2.9Å
364	V	28.6	Very low	26.2	Very low	124 Å²	124	132 Å²	132	75%	0.752	73%	0.729	S	S	*	*			trans	-80.2	116.2	165.1	-178.7	0	0	0	0	107	N362 E366	N362-V364 PolarHBondContact O-N 3.23Å; V364-E366 PolarHBondContact O-N 3.29Å
365	K	26.5	Very low	26.7	Very low	201 Å²	201	127.6 Å²	127.6	87%	0.874	71%	0.705	S	S	*	*			trans	-45.7	100.1	173.9	-66.8	177.5	178.6	178.5	0	109.8	D363 S367	D363-K365 PolarHBondContact O-N 2.9Å; K365-S367 PolarHBondContact O-N 3.42Å
366	E	26.2	Very low	27.2	Very low	153 Å²	153	125.2 Å²	125.2	72%	0.715	69%	0.689	S	S	*	*			trans	-75.4	92.3	-178.4	-157.9	171.9	-156.6	0	0	108.2	V364 D368 V369	V364-E366 PolarHBondContact O-N 3.29Å; E366-D368 PolarHBondContact O-N 2.94Å; E366-V369 HydrophobicContact CG-CB 4.43Å; E366-V369 HydrophobicContact CG-CG2 3.96Å
367	S	27.9	Very low	27.5	Very low	94 Å²	94	129.5 Å²	129.5	66%	0.657	69%	0.692	S	S	*	*			trans	-59.2	124.5	166.9	49.7	0	0	0	0	110.1	K365 V369	K365-S367 PolarHBondContact O-N 3.42Å; S367-V369 VanDerWaalsContact C-N 3.33Å; S367-V369 PolarHBondContact O-N 3.49Å
368	D	26.4	Very low	28.1	Very low	159 Å²	159	125.2 Å²	125.2	85%	0.85	67%	0.667	S	S	*	*	S	Bend	trans	56.2	23.5	154.8	-55.5	-25	0	0	0	119.5	E366 I370	E366-D368 PolarHBondContact O-N 2.94Å; D368-I370 PolarHBondContact O-N 3.49Å
369	V	28.8	Very low	28.8	Very low	85 Å²	85	121.4 Å²	121.4	52%	0.515	64%	0.639	S	S	.	*			trans	-79.1	103.1	162.6	-174.2	0	0	0	0	108	E366 S367 T371	E366-V369 HydrophobicContact CG-CB 4.43Å; E366-V369 HydrophobicContact CG-CG2 3.96Å; S367-V369 VanDerWaalsContact C-N 3.33Å; S367-V369 PolarHBondContact O-N 3.49Å; V369-T371 VanDerWaalsContact C-N 3.26Å; V369-T371 HydrophobicContact CG1-CG2 4.23Å; V369-T371 PolarHBondContact O-N 3.43Å
370	I	26.2	Very low	29.2	Very low	158 Å²	158	115.1 Å²	115.1	81%	0.81	61%	0.613	S	S	*	*			trans	-58.2	89.4	172.1	-59.8	172.2	0	0	0	108.6	D368 C372	D368-I370 PolarHBondContact O-N 3.49Å; I370-C372 PolarHBondContact O-N 3.46Å; I370-C372 VanDerWaalsContact O-N 3.07Å
371	T	26.3	Very low	29.8	Very low	93 Å²	93	116.3 Å²	116.3	57%	0.571	61%	0.607	S	S	*	*			trans	-82.2	85.2	174.8	53	0	0	0	0	108	V369 R373	V369-T371 VanDerWaalsContact C-N 3.26Å; V369-T371 HydrophobicContact CG1-CG2 4.23Å; V369-T371 PolarHBondContact O-N 3.43Å; T371-R373 PolarHBondContact O-N 2.88Å
372	C	24.4	Very low	30.5	Very low	33 Å²	33	119.2 Å²	119.2	22%	0.223	60%	0.597	C	S	.	*			trans	-64.5	84.5	170.5	-173.7	0	0	0	0	109.2	I370 T374 T376	I370-C372 PolarHBondContact O-N 3.46Å; I370-C372 VanDerWaalsContact O-N 3.07Å; C372-T374 PolarHBondContact O-N 2.95Å; C372-T376 VanDerWaalsContact O-CG2 3.27Å; C372-T376 WeakPolarHBondContact O-CG2 3.48Å
373	R	30.2	Very low	31.4	Very low	228 Å²	228	114.6 Å²	114.6	86%	0.86	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-3.7	-171.8	-128.6	170.4	176.7	158.7	-1.5	113	T371	T371-R373 PolarHBondContact O-N 2.88Å
374	T	32	Very low	32.5	Very low	132 Å²	132	113.2 Å²	113.2	81%	0.81	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-7.2	-166.3	46.8	0	0	0	0	116.7	C372	C372-T374 PolarHBondContact O-N 2.95Å
375	N	32.8	Very low	33.2	Very low	56 Å²	56	110.4 Å²	110.4	30%	0.299	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.9	9.9	174.2	-148.4	-15.2	0	0	0	116.4	R377 S378 I379 S428	N375-R377 VanDerWaalsContact C-N 3.32Å; N375-R377 PolarHBondContact O-N 3.28Å; N375-S378 PolarHBondContact O-OG 3Å; N375-S378 PolarHBondContact OD1-OG 2.92Å; N375-I379 WeakPolarHBondContact O-CD1 3.38Å; N375-I379 WeakPolarHBondContact O-CG1 3.31Å; N375-S428 PolarHBondContact ND2-OG 2.91Å
376	T	35	Very low	33.8	Very low	65 Å²	65	102.9 Å²	102.9	40%	0.399	52%	0.515	S	S	.	.	H	α-helix	trans	-71.7	-24.1	-175	52.3	0	0	0	0	113.5	C372 S378 I379 C380	C372-T376 VanDerWaalsContact O-CG2 3.27Å; C372-T376 WeakPolarHBondContact O-CG2 3.48Å; T376-S378 PolarHBondContact O-N 2.95Å; T376-I379 PolarHBondContact O-N 2.96Å; T376-C380 WeakPolarHBondContact O-CB 3.48Å; T376-C380 PolarHBondContact O-N 2.97Å; T376-C380 PolarHBondContact O-SG 3.34Å
377	R	31.9	Very low	34.3	Very low	208 Å²	208	104 Å²	104	79%	0.785	51%	0.512	S	S	*	.	H	α-helix	trans	-66.2	-39.2	-177.2	-140	171	-166	175.1	3.7	112	N375 R381	N375-R377 VanDerWaalsContact C-N 3.32Å; N375-R377 PolarHBondContact O-N 3.28Å; R377-R381 WeakPolarHBondContact O-CG 3.42Å; R377-R381 PolarHBondContact O-N 2.95Å; R377-R381 VanDerWaalsContact O-N 3.14Å
378	S	37.3	Very low	35.2	Very low	46 Å²	46	111.5 Å²	111.5	32%	0.322	53%	0.526	S	S	.	.	H	α-helix	trans	-69.3	-36.4	177.3	76.8	0	0	0	0	111.5	N375 T376 R381 R382	N375-S378 PolarHBondContact O-OG 3Å; N375-S378 PolarHBondContact OD1-OG 2.92Å; T376-S378 PolarHBondContact O-N 2.95Å; S378-R381 WeakPolarHBondContact O-CB 3.5Å; S378-R381 PolarHBondContact O-N 3.17Å; S378-R382 PolarHBondContact O-N 3.2Å; S378-R382 VanDerWaalsContact O-N 3.12Å
379	I	36.8	Very low	36.5	Very low	12 Å²	12	106.9 Å²	106.9	6%	0.062	52%	0.516	C	S	.	.	H	α-helix	trans	-68.6	-46.1	176.9	-57.1	168	0	0	0	110.7	N375 T376 R381 R382 R383 A425	N375-I379 WeakPolarHBondContact O-CD1 3.38Å; N375-I379 WeakPolarHBondContact O-CG1 3.31Å; T376-I379 PolarHBondContact O-N 2.96Å; I379-R381 PolarHBondContact O-N 3.4Å; I379-R382 WeakPolarHBondContact O-CA 3.2Å; I379-R382 WeakPolarHBondContact O-CB 3.35Å; I379-R382 PolarHBondContact O-N 3.32Å; I379-R383 WeakPolarHBondContact O-CG 3.21Å; I379-R383 PolarHBondContact O-N 2.95Å; I379-R383 VanDerWaalsContact O-N 3.15Å; I379-A425 HydrophobicContact CD1-CB 3.27Å; I379-A425 HydrophobicContact CG1-CB 3.92Å
380	C	33.1	Very low	38	Very low	33 Å²	33	105.3 Å²	105.3	22%	0.223	51%	0.507	C	S	.	.	H	α-helix	trans	-58.5	-33.4	172.7	-75	0	0	0	0	111.5	T376 R383 R384	T376-C380 WeakPolarHBondContact O-CB 3.48Å; T376-C380 PolarHBondContact O-N 2.97Å; T376-C380 PolarHBondContact O-SG 3.34Å; C380-R383 PolarHBondContact O-N 3.32Å; C380-R384 WeakPolarHBondContact O-CG 3.34Å
381	R	39.5	Very low	39.8	Very low	172 Å²	172	98.8 Å²	98.8	65%	0.649	47%	0.474	S	S	*	.	H	α-helix	trans	-66.6	-39.4	172.4	-63.6	-162.6	176.2	158.2	-4.2	112.6	R377 S378 I379 R383 R384	R377-R381 WeakPolarHBondContact O-CG 3.42Å; R377-R381 PolarHBondContact O-N 2.95Å; R377-R381 VanDerWaalsContact O-N 3.14Å; S378-R381 WeakPolarHBondContact O-CB 3.5Å; S378-R381 PolarHBondContact O-N 3.17Å; I379-R381 PolarHBondContact O-N 3.4Å; R381-R383 PolarHBondContact O-N 3.35Å; R381-R384 VanDerWaalsContact CG-NH2 3.32Å; R381-R384 PolarHBondContact O-N 2.97Å
382	R	38.8	Very low	41.1	Very low	157 Å²	157	96.7 Å²	96.7	59%	0.592	46%	0.459	S	S	*	.	H	α-helix	trans	-64.2	-25.8	176.8	-69.2	178.9	-168.1	161.5	4.5	112.9	S378 I379	S378-R382 PolarHBondContact O-N 3.2Å; S378-R382 VanDerWaalsContact O-N 3.12Å; I379-R382 WeakPolarHBondContact O-CA 3.2Å; I379-R382 WeakPolarHBondContact O-CB 3.35Å; I379-R382 PolarHBondContact O-N 3.32Å
383	R	47.2	Very low	43	Very low	35 Å²	35	95.1 Å²	95.1	13%	0.132	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.2	-176.5	-65.5	177.9	-175.1	151.4	0.8	115.2	I379 C380 R381 Y410 E421	I379-R383 WeakPolarHBondContact O-CG 3.21Å; I379-R383 PolarHBondContact O-N 2.95Å; I379-R383 VanDerWaalsContact O-N 3.15Å; C380-R383 PolarHBondContact O-N 3.32Å; R381-R383 PolarHBondContact O-N 3.35Å; R383-Y410 PolarHBondContact NE-OH 3.25Å; R383-E421 IonicContact CZ-OE2 3.15Å; R383-E421 IonicContact NE-OE2 2.91Å; R383-E421 PolarHBondContact NE-OE2 3.46Å; R383-E421 IonicContact NH2-OE2 2.63Å; R383-E421 PolarHBondContact NH2-OE2 2.89Å
384	R	46.6	Very low	44.4	Very low	134 Å²	134	87.2 Å²	87.2	51%	0.506	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-93.6	124.7	-174.2	-75	-178.7	-55.3	-179.6	11.4	113.4	C380 R381	C380-R384 WeakPolarHBondContact O-CG 3.34Å; R381-R384 VanDerWaalsContact CG-NH2 3.32Å; R381-R384 PolarHBondContact O-N 2.97Å
385	V	44	Very low	45.5	Very low	65 Å²	65	83.3 Å²	83.3	39%	0.394	41%	0.414	S	S	.	.			trans	-125.8	58.9	158.1	-158.1	0	0	0	0	108.5	I392	V385-I392 WeakPolarHBondContact O-CD1 3.46Å; V385-I392 WeakPolarHBondContact O-CG1 3.4Å
386	G	38.4	Very low	46.9	Very low	42 Å²	42	82.6 Å²	82.6	43%	0.433	41%	0.412	S	S	.	.			trans	-118.6	141.4	-171.7	0	0	0	0	0	113.9	T390	G386-T390 CarbonylContact C-O 3.36Å; G386-T390 WeakPolarHBondContact CA-O 3.49Å
387	W	36.3	Very low	48.1	Very low	176 Å²	176	81.7 Å²	81.7	67%	0.667	42%	0.416	S	S	*	.	B	Isolated β-bridge	trans	-97.4	170.9	171.4	-84.8	72	0	0	0	110.3	G389 T390	W387-G389 PolarHBondContact O-N 3.22Å; W387-T390 PolarHBondContact N-O 2.78Å; W387-T390 PolarHBondContact O-N 3.12Å
388	R	47.1	Very low	49.6	Very low	252 Å²	252	76.2 Å²	76.2	95%	0.951	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.3	113.1	175.8	-70.2	-172.1	-177.4	-171.8	1.1	111.2	T390	R388-T390 PolarHBondContact O-N 2.9Å
389	G	53.8	Low	50.9	Low	62 Å²	62	80 Å²	80	64%	0.639	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	3.9	174.3	0	0	0	0	0	116.9	W387 E401	W387-G389 PolarHBondContact O-N 3.22Å; G389-E401 CarbonylContact O-C 3.53Å
390	T	60.6	Low	52.5	Low	52 Å²	52	81 Å²	81	32%	0.319	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-137.6	132.5	173	48.6	0	0	0	0	110.9	G386 W387 R388 F400	G386-T390 CarbonylContact C-O 3.36Å; G386-T390 WeakPolarHBondContact CA-O 3.49Å; W387-T390 PolarHBondContact N-O 2.78Å; W387-T390 PolarHBondContact O-N 3.12Å; R388-T390 PolarHBondContact O-N 2.9Å; T390-F400 CarbonylContact C-O 3.49Å; T390-F400 WeakPolarHBondContact CA-O 3.32Å
391	T	64.1	Low	54.1	Low	21 Å²	21	86.8 Å²	86.8	13%	0.129	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.6	-179.2	61.6	0	0	0	0	109.9	M399 F400 G402 M403 L406	T391-M399 CarbonylContact O-C 3.56Å; T391-M399 WeakPolarHBondContact O-CA 3.42Å; T391-F400 PolarHBondContact N-O 3.28Å; T391-F400 PolarHBondContact O-N 3.27Å; T391-G402 PolarHBondContact OG1-O 2.74Å; T391-M403 HydrophobicContact CG2-SD 4.32Å; T391-L406 WeakPolarHBondContact OG1-CB 3.35Å
392	I	53.6	Low	55.4	Low	49 Å²	49	79.8 Å²	79.8	25%	0.251	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.1	-176.6	-50.2	-174.3	0	0	0	108.2	V385 A394 G397 L398 M399	V385-I392 WeakPolarHBondContact O-CD1 3.46Å; V385-I392 WeakPolarHBondContact O-CG1 3.4Å; I392-A394 PolarHBondContact O-N 2.89Å; I392-G397 WeakPolarHBondContact CG2-O 3.46Å; I392-L398 CarbonylContact C-O 3.53Å; I392-L398 VanDerWaalsContact CA-O 3.29Å; I392-L398 WeakPolarHBondContact CA-O 3.29Å; I392-M399 HydrophobicContact CD1-CG 4.21Å; I392-M399 HydrophobicContact CG1-CG 4.04Å
393	C	64.2	Low	56.4	Low	1 Å²	1	75.2 Å²	75.2	1%	0.007	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-69.1	121.7	172.5	178.9	0	0	0	0	110.1	A395 C396 G397 L398 F400 L406 H414	C393-A395 VanDerWaalsContact C-N 3.25Å; C393-A395 PolarHBondContact O-N 2.95Å; C393-A395 PolarHBondContact SG-N 3.27Å; C393-C396 WeakPolarHBondContact CB-SG 3.43Å; C393-C396 PolarHBondContact SG-SG 3.28Å; C393-G397 WeakPolarHBondContact O-CA 3.44Å; C393-G397 PolarHBondContact O-N 3.16Å; C393-L398 PolarHBondContact N-O 3.15Å; C393-F400 HydrophobicContact CB-CE2 3.97Å; C393-L406 VanDerWaalsContact CA-CD1 3.48Å; C393-L406 HydrophobicContact CB-CD1 3.48Å; C393-L406 VanDerWaalsContact CB-CD1 3.48Å; C393-H414 VanDerWaalsContact SG-CD2 3.56Å; C393-H414 PolarHBondContact SG-NE2 3.48Å
394	A	58.5	Low	57.3	Low	62 Å²	62	79.7 Å²	79.7	51%	0.512	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.7	178.9	0	0	0	0	0	113.6	I392	I392-A394 PolarHBondContact O-N 2.89Å
395	A	56.9	Low	58.3	Low	50 Å²	50	77.7 Å²	77.7	41%	0.413	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-42.7	-177	0	0	0	0	0	112.6	C393 Y410 L417	C393-A395 VanDerWaalsContact C-N 3.25Å; C393-A395 PolarHBondContact O-N 2.95Å; C393-A395 PolarHBondContact SG-N 3.27Å; A395-Y410 HydrophobicContact CB-CE2 4.03Å; A395-L417 HydrophobicContact CB-CD2 3.9Å
396	C	60.6	Low	59.3	Low	41 Å²	41	75 Å²	75	28%	0.277	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-12.3	-176.6	68.6	0	0	0	0	114.7	C393 L398 H409	C393-C396 WeakPolarHBondContact CB-SG 3.43Å; C393-C396 PolarHBondContact SG-SG 3.28Å; C396-L398 VanDerWaalsContact C-N 3.29Å; C396-L398 PolarHBondContact O-N 2.81Å; C396-L398 VanDerWaalsContact SG-CG 3.57Å; C396-H409 PolarHBondContact SG-NE2 3.17Å
397	G	60.7	Low	60.5	Low	46 Å²	46	76 Å²	76	47%	0.474	41%	0.413	S	S	.	.			trans	78.8	3.2	-179.1	0	0	0	0	0	115.3	I392 C393	I392-G397 WeakPolarHBondContact CG2-O 3.46Å; C393-G397 WeakPolarHBondContact O-CA 3.44Å; C393-G397 PolarHBondContact O-N 3.16Å
398	L	64.1	Low	62.1	Low	92 Å²	92	71.1 Å²	71.1	48%	0.482	40%	0.403	S	S	.	.			trans	-67.2	142.1	178.3	-68.8	175.3	0	0	0	111.7	I392 C393 C396 F400	I392-L398 CarbonylContact C-O 3.53Å; I392-L398 VanDerWaalsContact CA-O 3.29Å; I392-L398 WeakPolarHBondContact CA-O 3.29Å; C393-L398 PolarHBondContact N-O 3.15Å; C396-L398 VanDerWaalsContact C-N 3.29Å; C396-L398 PolarHBondContact O-N 2.81Å; C396-L398 VanDerWaalsContact SG-CG 3.57Å; L398-F400 HydrophobicContact CB-CE2 3.68Å; L398-F400 HydrophobicContact CB-CZ 3.7Å; L398-F400 HydrophobicContact CD1-CZ 4.35Å; L398-F400 WeakPolarHBondContact O-CE2 3.26Å
399	M	65.1	Low	63.4	Low	126 Å²	126	60.4 Å²	60.4	62%	0.621	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.1	179.1	-59	-175.5	56.6	0	0	110.5	T391 I392	T391-M399 CarbonylContact O-C 3.56Å; T391-M399 WeakPolarHBondContact O-CA 3.42Å; I392-M399 HydrophobicContact CD1-CG 4.21Å; I392-M399 HydrophobicContact CG1-CG 4.04Å
400	F	70.3	Confident	63.9	Low	32 Å²	32	58 Å²	58	14%	0.14	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.8	-179.2	-59.6	-82.8	0	0	0	109.8	T390 T391 C393 L398 G402 Q405 L406 H409	T390-F400 CarbonylContact C-O 3.49Å; T390-F400 WeakPolarHBondContact CA-O 3.32Å; T391-F400 PolarHBondContact N-O 3.28Å; T391-F400 PolarHBondContact O-N 3.27Å; C393-F400 HydrophobicContact CB-CE2 3.97Å; L398-F400 HydrophobicContact CB-CE2 3.68Å; L398-F400 HydrophobicContact CB-CZ 3.7Å; L398-F400 HydrophobicContact CD1-CZ 4.35Å; L398-F400 WeakPolarHBondContact O-CE2 3.26Å; F400-G402 PolarHBondContact O-N 2.8Å; F400-Q405 HydrophobicContact CB-CB 4.02Å; F400-Q405 HydrophobicContact CD1-CB 3.91Å; F400-Q405 HydrophobicContact CG-CB 4.31Å; F400-L406 HydrophobicContact CB-CB 4.16Å; F400-L406 HydrophobicContact CD2-CB 3.83Å; F400-L406 HydrophobicContact CD2-CD1 3.63Å; F400-L406 HydrophobicContact CD2-CG 4.32Å; F400-L406 HydrophobicContact CE2-CD1 3.74Å; F400-L406 HydrophobicContact CG-CB 4.06Å; F400-H409 HydrophobicContact CD1-CB 4.45Å; F400-H409 HydrophobicContact CE1-CB 3.58Å; F400-H409 AromaticContact CE1-CG 3.77Å; F400-H409 HydrophobicContact CE2-CB 4.18Å; F400-H409 AromaticContact CE2-CD2 3.56Å; F400-H409 AromaticContact CE2-CG 3.83Å; F400-H409 HydrophobicContact CZ-CB 3.44Å; F400-H409 VanDerWaalsContact CZ-CB 3.44Å; F400-H409 AromaticContact CZ-CD2 3.33Å; F400-H409 WeakPolarHBondContact CZ-CD2 3.25Å; F400-H409 AromaticContact CZ-CG 3.12Å; F400-H409 AromaticContact CZ-ND1 3.59Å; F400-H409 AromaticContact CZ-NE2 3.89Å
401	E	66.1	Low	64	Low	156 Å²	156	58.7 Å²	58.7	73%	0.729	34%	0.342	S	S	*	.	S	Bend	trans	-73.8	-14.5	-178.9	-62.4	-176.3	156.5	0	0	112.4	G389	G389-E401 CarbonylContact O-C 3.53Å
402	G	66.1	Low	64	Low	25 Å²	25	64.8 Å²	64.8	26%	0.258	37%	0.368	S	S	.	.	S	Bend	trans	-154.3	161.4	-179.1	0	0	0	0	0	113.5	T391 F400 N404 Q405 L406	T391-G402 PolarHBondContact OG1-O 2.74Å; F400-G402 PolarHBondContact O-N 2.8Å; G402-N404 VanDerWaalsContact C-N 3.27Å; G402-N404 PolarHBondContact O-N 3.26Å; G402-Q405 PolarHBondContact O-N 3.29Å; G402-L406 PolarHBondContact O-N 2.79Å
403	M	59.9	Low	64.6	Low	61 Å²	61	67.7 Å²	67.7	30%	0.3	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-36.1	178.7	-169.2	74	-156.5	0	0	112	T391 L406 N407	T391-M403 HydrophobicContact CG2-SD 4.32Å; M403-L406 HydrophobicContact CE-CD2 4.42Å; M403-L406 PolarHBondContact O-N 2.92Å; M403-L406 HydrophobicContact SD-CD2 4.48Å; M403-N407 VanDerWaalsContact CE-OD1 3.26Å; M403-N407 WeakPolarHBondContact CE-OD1 3.39Å; M403-N407 PolarHBondContact O-N 2.95Å; M403-N407 PolarHBondContact O-ND2 3.34Å
404	N	65.6	Low	64.7	Low	129 Å²	129	68.9 Å²	68.9	69%	0.69	39%	0.389	S	S	*	.	H	α-helix	trans	-62.5	-52.9	-180	-66.7	-6.6	0	0	0	110.1	G402 L406 N407 T408	G402-N404 VanDerWaalsContact C-N 3.27Å; G402-N404 PolarHBondContact O-N 3.26Å; N404-L406 VanDerWaalsContact C-N 3.28Å; N404-L406 PolarHBondContact O-N 3.35Å; N404-N407 PolarHBondContact O-N 3.14Å; N404-T408 PolarHBondContact O-N 2.96Å; N404-T408 PolarHBondContact O-OG1 3.48Å
405	Q	67.8	Low	64.7	Low	92 Å²	92	67.1 Å²	67.1	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-54.6	-41.9	176.5	-67.6	174.8	-2.8	0	0	112.7	F400 G402 H409	F400-Q405 HydrophobicContact CB-CB 4.02Å; F400-Q405 HydrophobicContact CD1-CB 3.91Å; F400-Q405 HydrophobicContact CG-CB 4.31Å; G402-Q405 PolarHBondContact O-N 3.29Å; Q405-H409 VanDerWaalsContact O-CB 3.24Å; Q405-H409 WeakPolarHBondContact O-CB 3.16Å; Q405-H409 PolarHBondContact O-N 3.5Å
406	L	65.6	Low	64.5	Low	8 Å²	8	69.3 Å²	69.3	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-45.3	175.1	170.7	63.5	0	0	0	111.9	T391 C393 F400 G402 M403 N404 H409 Y410	T391-L406 WeakPolarHBondContact OG1-CB 3.35Å; C393-L406 VanDerWaalsContact CA-CD1 3.48Å; C393-L406 HydrophobicContact CB-CD1 3.48Å; C393-L406 VanDerWaalsContact CB-CD1 3.48Å; F400-L406 HydrophobicContact CB-CB 4.16Å; F400-L406 HydrophobicContact CD2-CB 3.83Å; F400-L406 HydrophobicContact CD2-CD1 3.63Å; F400-L406 HydrophobicContact CD2-CG 4.32Å; F400-L406 HydrophobicContact CE2-CD1 3.74Å; F400-L406 HydrophobicContact CG-CB 4.06Å; G402-L406 PolarHBondContact O-N 2.79Å; M403-L406 HydrophobicContact CE-CD2 4.42Å; M403-L406 PolarHBondContact O-N 2.92Å; M403-L406 HydrophobicContact SD-CD2 4.48Å; N404-L406 VanDerWaalsContact C-N 3.28Å; N404-L406 PolarHBondContact O-N 3.35Å; L406-H409 PolarHBondContact O-N 2.88Å; L406-Y410 VanDerWaalsContact O-CB 3.3Å; L406-Y410 WeakPolarHBondContact O-CB 2.98Å; L406-Y410 PolarHBondContact O-N 3.3Å
407	N	62.9	Low	64	Low	63 Å²	63	70.2 Å²	70.2	34%	0.337	39%	0.39	S	S	.	.	H	α-helix	trans	-64.5	-44.1	179.5	-75.2	-23	0	0	0	111.2	M403 N404 Y410 S411	M403-N407 VanDerWaalsContact CE-OD1 3.26Å; M403-N407 WeakPolarHBondContact CE-OD1 3.39Å; M403-N407 PolarHBondContact O-N 2.95Å; M403-N407 PolarHBondContact O-ND2 3.34Å; N404-N407 PolarHBondContact O-N 3.14Å; N407-Y410 PolarHBondContact O-N 2.9Å; N407-S411 PolarHBondContact O-N 2.91Å; N407-S411 PolarHBondContact O-OG 2.88Å
408	T	70.7	Confident	63.5	Low	74 Å²	74	70.7 Å²	70.7	45%	0.454	38%	0.382	S	S	.	.	H	α-helix	trans	-60.1	-49.2	175.6	-32.7	0	0	0	0	109.9	N404 Y410 S411 H412	N404-T408 PolarHBondContact O-N 2.96Å; N404-T408 PolarHBondContact O-OG1 3.48Å; T408-Y410 VanDerWaalsContact C-N 3.33Å; T408-Y410 PolarHBondContact O-N 2.85Å; T408-S411 PolarHBondContact O-N 3.43Å; T408-H412 PolarHBondContact O-CD2 2.94Å; T408-H412 PolarHBondContact O-N 2.72Å
409	H	73.7	Confident	62.8	Low	26 Å²	26	72.4 Å²	72.4	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-55.2	-46.5	173.7	163.8	75.6	0	0	0	112.3	C396 F400 Q405 L406 H412 I413 H414	C396-H409 PolarHBondContact SG-NE2 3.17Å; F400-H409 HydrophobicContact CD1-CB 4.45Å; F400-H409 HydrophobicContact CE1-CB 3.58Å; F400-H409 AromaticContact CE1-CG 3.77Å; F400-H409 HydrophobicContact CE2-CB 4.18Å; F400-H409 AromaticContact CE2-CD2 3.56Å; F400-H409 AromaticContact CE2-CG 3.83Å; F400-H409 HydrophobicContact CZ-CB 3.44Å; F400-H409 VanDerWaalsContact CZ-CB 3.44Å; F400-H409 AromaticContact CZ-CD2 3.33Å; F400-H409 WeakPolarHBondContact CZ-CD2 3.25Å; F400-H409 AromaticContact CZ-CG 3.12Å; F400-H409 AromaticContact CZ-ND1 3.59Å; F400-H409 AromaticContact CZ-NE2 3.89Å; Q405-H409 VanDerWaalsContact O-CB 3.24Å; Q405-H409 WeakPolarHBondContact O-CB 3.16Å; Q405-H409 PolarHBondContact O-N 3.5Å; L406-H409 PolarHBondContact O-N 2.88Å; H409-H412 PolarHBondContact O-N 3.44Å; H409-I413 VanDerWaalsContact O-CB 3.3Å; H409-I413 WeakPolarHBondContact O-CB 3.47Å; H409-I413 WeakPolarHBondContact O-CG1 3.33Å; H409-I413 PolarHBondContact O-N 2.96Å; H409-H414 AromaticContact NE2-CD2 3.68Å; H409-H414 AromaticContact NE2-NE2 3.45Å; H409-H414 PolarHBondContact NE2-NE2 3.29Å
410	Y	65.4	Low	62	Low	13 Å²	13	69.6 Å²	69.6	5%	0.051	38%	0.38	C	S	.	.	H	α-helix	trans	-68.1	-40.8	-176.9	-156.8	-82	0	0	0	111.6	R383 A395 L406 N407 T408 H414 G415 L418 E421	R383-Y410 PolarHBondContact NE-OH 3.25Å; A395-Y410 HydrophobicContact CB-CE2 4.03Å; L406-Y410 VanDerWaalsContact O-CB 3.3Å; L406-Y410 WeakPolarHBondContact O-CB 2.98Å; L406-Y410 PolarHBondContact O-N 3.3Å; N407-Y410 PolarHBondContact O-N 2.9Å; T408-Y410 VanDerWaalsContact C-N 3.33Å; T408-Y410 PolarHBondContact O-N 2.85Å; Y410-H414 HydrophobicContact CD1-CB 3.82Å; Y410-H414 HydrophobicContact CD2-CB 4.19Å; Y410-H414 AromaticContact CD2-CD2 3.71Å; Y410-H414 HydrophobicContact CE1-CB 3.84Å; Y410-H414 HydrophobicContact CE2-CB 4.21Å; Y410-H414 AromaticContact CE2-CD2 3.98Å; Y410-H414 HydrophobicContact CG-CB 4.02Å; Y410-H414 CarbonylContact O-C 3.44Å; Y410-H414 WeakPolarHBondContact O-CA 3.27Å; Y410-H414 WeakPolarHBondContact O-CB 3.34Å; Y410-H414 PolarHBondContact O-N 3.44Å; Y410-G415 PolarHBondContact O-N 3.25Å; Y410-L418 HydrophobicContact CD1-CB 4.29Å; Y410-L418 HydrophobicContact CD1-CD1 3.97Å; Y410-L418 HydrophobicContact CE1-CB 4.11Å; Y410-L418 HydrophobicContact CE1-CD1 3.94Å; Y410-E421 PolarHBondContact OH-OE2 3.49Å
411	S	62.6	Low	60.6	Low	65 Å²	65	70.9 Å²	70.9	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-65.7	-40.4	176.7	-63.8	0	0	0	0	111.9	N407 T408 G415	N407-S411 PolarHBondContact O-N 2.91Å; N407-S411 PolarHBondContact O-OG 2.88Å; T408-S411 PolarHBondContact O-N 3.43Å; S411-G415 WeakPolarHBondContact O-CA 3.5Å; S411-G415 PolarHBondContact O-N 3Å
412	H	62.8	Low	59.7	Low	150 Å²	150	64.6 Å²	64.6	69%	0.694	36%	0.359	S	S	*	.	H	α-helix	trans	-77.8	-44.1	-179.3	-70.9	-65.1	0	0	0	113.9	T408 H409	T408-H412 PolarHBondContact O-CD2 2.94Å; T408-H412 PolarHBondContact O-N 2.72Å; H409-H412 PolarHBondContact O-N 3.44Å
413	I	66.5	Low	58.6	Low	109 Å²	109	66.3 Å²	66.3	56%	0.559	36%	0.362	S	S	*	.	H	α-helix	trans	-91.1	-31.7	-174.2	-55.8	-58.9	0	0	0	111.6	H409	H409-I413 VanDerWaalsContact O-CB 3.3Å; H409-I413 WeakPolarHBondContact O-CB 3.47Å; H409-I413 WeakPolarHBondContact O-CG1 3.33Å; H409-I413 PolarHBondContact O-N 2.96Å
414	H	66.7	Low	57.7	Low	27 Å²	27	67.4 Å²	67.4	13%	0.125	37%	0.366	C	S	.	.	S	Bend	trans	-118.5	21.5	-175.7	-56	-53.7	0	0	0	112.1	C393 H409 Y410 S416 L417 L418	C393-H414 VanDerWaalsContact SG-CD2 3.56Å; C393-H414 PolarHBondContact SG-NE2 3.48Å; H409-H414 AromaticContact NE2-CD2 3.68Å; H409-H414 AromaticContact NE2-NE2 3.45Å; H409-H414 PolarHBondContact NE2-NE2 3.29Å; Y410-H414 HydrophobicContact CD1-CB 3.82Å; Y410-H414 HydrophobicContact CD2-CB 4.19Å; Y410-H414 AromaticContact CD2-CD2 3.71Å; Y410-H414 HydrophobicContact CE1-CB 3.84Å; Y410-H414 HydrophobicContact CE2-CB 4.21Å; Y410-H414 AromaticContact CE2-CD2 3.98Å; Y410-H414 HydrophobicContact CG-CB 4.02Å; Y410-H414 CarbonylContact O-C 3.44Å; Y410-H414 WeakPolarHBondContact O-CA 3.27Å; Y410-H414 WeakPolarHBondContact O-CB 3.34Å; Y410-H414 PolarHBondContact O-N 3.44Å; H414-S416 PolarHBondContact O-N 3.33Å; H414-L417 HydrophobicContact CB-CB 4.17Å; H414-L417 HydrophobicContact CB-CD2 4.37Å; H414-L417 CarbonylContact O-C 3.53Å; H414-L417 WeakPolarHBondContact O-CA 3.34Å; H414-L417 WeakPolarHBondContact O-CB 3.18Å; H414-L417 PolarHBondContact O-N 3.28Å; H414-L418 WeakPolarHBondContact O-CB 3.42Å; H414-L418 PolarHBondContact O-N 3.16Å
415	G	58.6	Low	56.4	Low	24 Å²	24	61.6 Å²	61.6	25%	0.247	34%	0.336	C	S	.	.	H	α-helix	trans	-56.4	-43.3	-178.6	0	0	0	0	0	113.9	Y410 S411 L417 L418 E419	Y410-G415 PolarHBondContact O-N 3.25Å; S411-G415 WeakPolarHBondContact O-CA 3.5Å; S411-G415 PolarHBondContact O-N 3Å; G415-L417 VanDerWaalsContact C-N 3.34Å; G415-L417 PolarHBondContact O-N 3.41Å; G415-L418 WeakPolarHBondContact O-CA 3.48Å; G415-L418 VanDerWaalsContact O-CB 3.25Å; G415-L418 WeakPolarHBondContact O-CB 3.48Å; G415-L418 PolarHBondContact O-N 3.37Å; G415-L418 VanDerWaalsContact O-N 3.13Å; G415-E419 PolarHBondContact O-N 3.25Å
416	S	53.4	Low	54.9	Low	96 Å²	96	63.1 Å²	63.1	67%	0.671	34%	0.343	S	S	*	.	H	α-helix	trans	-65.2	-37.6	174.6	55.2	0	0	0	0	112.6	H414 L418 E419 S420	H414-S416 PolarHBondContact O-N 3.33Å; S416-L418 VanDerWaalsContact C-N 3.34Å; S416-E419 PolarHBondContact O-N 3.37Å; S416-S420 PolarHBondContact O-N 3.25Å; S416-S420 PolarHBondContact O-OG 3.41Å
417	L	50	Low	53.7	Low	61 Å²	61	65.5 Å²	65.5	32%	0.319	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-39.7	172.2	-174.7	69	0	0	0	110.6	A395 H414 G415 E419 S420 E421	A395-L417 HydrophobicContact CB-CD2 3.9Å; H414-L417 HydrophobicContact CB-CB 4.17Å; H414-L417 HydrophobicContact CB-CD2 4.37Å; H414-L417 CarbonylContact O-C 3.53Å; H414-L417 WeakPolarHBondContact O-CA 3.34Å; H414-L417 WeakPolarHBondContact O-CB 3.18Å; H414-L417 PolarHBondContact O-N 3.28Å; G415-L417 VanDerWaalsContact C-N 3.34Å; G415-L417 PolarHBondContact O-N 3.41Å; L417-E419 VanDerWaalsContact C-N 3.35Å; L417-E419 PolarHBondContact O-N 3.5Å; L417-S420 PolarHBondContact O-N 2.8Å; L417-S420 PolarHBondContact O-OG 3.3Å; L417-E421 HydrophobicContact CD1-CG 4.49Å; L417-E421 HydrophobicContact CG-CG 4.43Å; L417-E421 VanDerWaalsContact O-CB 3.28Å; L417-E421 WeakPolarHBondContact O-CB 3.38Å; L417-E421 VanDerWaalsContact O-CG 3.27Å; L417-E421 WeakPolarHBondContact O-CG 3.47Å; L417-E421 PolarHBondContact O-N 3.42Å
418	L	49.7	Very low	52.6	Low	55 Å²	55	64.5 Å²	64.5	29%	0.288	35%	0.349	S	S	.	.	H	α-helix	trans	-60.6	-43.9	176.5	-176.7	77.5	0	0	0	111.1	Y410 H414 G415 S416 E421 C422	Y410-L418 HydrophobicContact CD1-CB 4.29Å; Y410-L418 HydrophobicContact CD1-CD1 3.97Å; Y410-L418 HydrophobicContact CE1-CB 4.11Å; Y410-L418 HydrophobicContact CE1-CD1 3.94Å; H414-L418 WeakPolarHBondContact O-CB 3.42Å; H414-L418 PolarHBondContact O-N 3.16Å; G415-L418 WeakPolarHBondContact O-CA 3.48Å; G415-L418 VanDerWaalsContact O-CB 3.25Å; G415-L418 WeakPolarHBondContact O-CB 3.48Å; G415-L418 PolarHBondContact O-N 3.37Å; G415-L418 VanDerWaalsContact O-N 3.13Å; S416-L418 VanDerWaalsContact C-N 3.34Å; L418-E421 PolarHBondContact O-N 3.06Å; L418-C422 WeakPolarHBondContact O-CB 3.44Å; L418-C422 PolarHBondContact O-N 3.4Å
419	E	49.7	Very low	51.2	Low	129 Å²	129	67.9 Å²	67.9	60%	0.603	37%	0.365	S	S	*	.	H	α-helix	trans	-66.6	-48.1	179.1	-168.4	173	-167.3	0	0	111.4	G415 S416 L417 E421 C422 N423	G415-E419 PolarHBondContact O-N 3.25Å; S416-E419 PolarHBondContact O-N 3.37Å; L417-E419 VanDerWaalsContact C-N 3.35Å; L417-E419 PolarHBondContact O-N 3.5Å; E419-E421 VanDerWaalsContact C-N 3.32Å; E419-E421 PolarHBondContact O-N 3.26Å; E419-C422 PolarHBondContact O-N 2.97Å; E419-C422 VanDerWaalsContact O-N 3.17Å; E419-N423 WeakPolarHBondContact O-CB 3.31Å; E419-N423 VanDerWaalsContact O-CG 3.29Å; E419-N423 PolarHBondContact O-N 3.23Å; E419-N423 PolarHBondContact O-ND2 2.95Å
420	S	47	Very low	49.4	Very low	66 Å²	66	69.2 Å²	69.2	46%	0.462	38%	0.377	S	S	.	.	H	α-helix	trans	-61.5	-38.3	174.8	69.3	0	0	0	0	112.8	S416 L417 F424	S416-S420 PolarHBondContact O-N 3.25Å; S416-S420 PolarHBondContact O-OG 3.41Å; L417-S420 PolarHBondContact O-N 2.8Å; L417-S420 PolarHBondContact O-OG 3.3Å; S420-F424 WeakPolarHBondContact O-CB 3.43Å; S420-F424 PolarHBondContact O-N 3.31Å
421	E	41.2	Very low	48.2	Very low	60 Å²	60	77 Å²	77	28%	0.28	41%	0.411	S	S	.	.	H	α-helix	trans	-73.1	-31.4	175.8	-75.4	-177.1	177.1	0	0	112.6	R383 Y410 L417 L418 E419 F424 A425	R383-E421 IonicContact CZ-OE2 3.15Å; R383-E421 IonicContact NE-OE2 2.91Å; R383-E421 PolarHBondContact NE-OE2 3.46Å; R383-E421 IonicContact NH2-OE2 2.63Å; R383-E421 PolarHBondContact NH2-OE2 2.89Å; Y410-E421 PolarHBondContact OH-OE2 3.49Å; L417-E421 HydrophobicContact CD1-CG 4.49Å; L417-E421 HydrophobicContact CG-CG 4.43Å; L417-E421 VanDerWaalsContact O-CB 3.28Å; L417-E421 WeakPolarHBondContact O-CB 3.38Å; L417-E421 VanDerWaalsContact O-CG 3.27Å; L417-E421 WeakPolarHBondContact O-CG 3.47Å; L417-E421 PolarHBondContact O-N 3.42Å; L418-E421 PolarHBondContact O-N 3.06Å; E419-E421 VanDerWaalsContact C-N 3.32Å; E419-E421 PolarHBondContact O-N 3.26Å; E421-F424 PolarHBondContact O-N 3.46Å; E421-A425 VanDerWaalsContact O-CB 3.28Å; E421-A425 WeakPolarHBondContact O-CB 3.18Å; E421-A425 PolarHBondContact O-N 3.21Å
422	C	48.9	Very low	47	Very low	24 Å²	24	78.3 Å²	78.3	16%	0.162	42%	0.416	C	S	.	.	H	α-helix	trans	-69.5	-45.7	175	-171.5	0	0	0	0	110.2	L418 E419 F424 A425 Q426	L418-C422 WeakPolarHBondContact O-CB 3.44Å; L418-C422 PolarHBondContact O-N 3.4Å; E419-C422 PolarHBondContact O-N 2.97Å; E419-C422 VanDerWaalsContact O-N 3.17Å; C422-F424 VanDerWaalsContact C-N 3.27Å; C422-F424 PolarHBondContact O-N 3.01Å; C422-A425 PolarHBondContact O-N 3.03Å; C422-A425 VanDerWaalsContact O-N 3.09Å; C422-Q426 WeakPolarHBondContact O-CG 3.27Å; C422-Q426 PolarHBondContact O-N 3.47Å
423	N	41.5	Very low	45.7	Very low	60 Å²	60	71.4 Å²	71.4	32%	0.321	39%	0.385	S	S	.	.	H	α-helix	trans	-56	-45.7	170.6	-69.8	-16.1	0	0	0	110	E419 A425 Q426 Y427	E419-N423 WeakPolarHBondContact O-CB 3.31Å; E419-N423 VanDerWaalsContact O-CG 3.29Å; E419-N423 PolarHBondContact O-N 3.23Å; E419-N423 PolarHBondContact O-ND2 2.95Å; N423-A425 PolarHBondContact O-N 3.23Å; N423-Q426 PolarHBondContact O-N 3.28Å; N423-Y427 WeakPolarHBondContact O-CD2 3.25Å; N423-Y427 WeakPolarHBondContact O-CE2 3.48Å
424	F	42.5	Very low	44.5	Very low	84 Å²	84	72.9 Å²	72.9	37%	0.368	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-37.3	175.1	-179.1	-128.2	0	0	0	114	S420 E421 C422 Y427 F437	S420-F424 WeakPolarHBondContact O-CB 3.43Å; S420-F424 PolarHBondContact O-N 3.31Å; E421-F424 PolarHBondContact O-N 3.46Å; C422-F424 VanDerWaalsContact C-N 3.27Å; C422-F424 PolarHBondContact O-N 3.01Å; F424-Y427 WeakPolarHBondContact O-CA 3.34Å; F424-Y427 VanDerWaalsContact O-CB 3.3Å; F424-Y427 WeakPolarHBondContact O-CB 3.43Å; F424-Y427 PolarHBondContact O-N 3.28Å; F424-Y427 VanDerWaalsContact O-N 3.14Å; F424-F437 HydrophobicContact CD2-CB 4.25Å; F424-F437 HydrophobicContact CD2-CD1 4.28Å; F424-F437 AromaticContact CD2-CD2 2.98Å; F424-F437 HydrophobicContact CD2-CD2 2.98Å; F424-F437 HydrophobicContact CD2-CE1 4.35Å; F424-F437 AromaticContact CD2-CE2 3.08Å; F424-F437 HydrophobicContact CD2-CE2 3.08Å; F424-F437 AromaticContact CD2-CG 3.61Å; F424-F437 HydrophobicContact CD2-CG 3.61Å; F424-F437 AromaticContact CD2-CZ 3.79Å; F424-F437 HydrophobicContact CD2-CZ 3.79Å; F424-F437 HydrophobicContact CE1-CZ 4.45Å; F424-F437 HydrophobicContact CE2-CB 3.98Å; F424-F437 AromaticContact CE2-CD1 3.45Å; F424-F437 HydrophobicContact CE2-CD1 3.45Å; F424-F437 VanDerWaalsContact CE2-CD1 3.45Å; F424-F437 AromaticContact CE2-CD2 3.04Å; F424-F437 HydrophobicContact CE2-CD2 3.04Å; F424-F437 AromaticContact CE2-CE1 3.48Å; F424-F437 HydrophobicContact CE2-CE1 3.48Å; F424-F437 VanDerWaalsContact CE2-CE1 3.48Å; F424-F437 AromaticContact CE2-CE2 3.06Å; F424-F437 HydrophobicContact CE2-CE2 3.06Å; F424-F437 AromaticContact CE2-CG 3.2Å; F424-F437 HydrophobicContact CE2-CG 3.2Å; F424-F437 AromaticContact CE2-CZ 3.27Å; F424-F437 HydrophobicContact CE2-CZ 3.27Å; F424-F437 HydrophobicContact CG-CD2 4.13Å; F424-F437 AromaticContact CG-CE2 3.91Å; F424-F437 HydrophobicContact CG-CE2 3.91Å; F424-F437 HydrophobicContact CZ-CD1 4.17Å; F424-F437 HydrophobicContact CZ-CD2 4.18Å; F424-F437 AromaticContact CZ-CE1 3.82Å; F424-F437 HydrophobicContact CZ-CE1 3.82Å; F424-F437 AromaticContact CZ-CE2 3.83Å; F424-F437 HydrophobicContact CZ-CE2 3.83Å; F424-F437 HydrophobicContact CZ-CG 4.3Å; F424-F437 AromaticContact CZ-CZ 3.61Å; F424-F437 HydrophobicContact CZ-CZ 3.61Å
425	A	36.6	Very low	43.4	Very low	7 Å²	7	76.9 Å²	76.9	6%	0.058	41%	0.409	C	S	.	.	H	α-helix	trans	-78.8	-24.9	-178	0	0	0	0	0	113.8	I379 E421 C422 N423 Y427 S428	I379-A425 HydrophobicContact CD1-CB 3.27Å; I379-A425 HydrophobicContact CG1-CB 3.92Å; E421-A425 VanDerWaalsContact O-CB 3.28Å; E421-A425 WeakPolarHBondContact O-CB 3.18Å; E421-A425 PolarHBondContact O-N 3.21Å; C422-A425 PolarHBondContact O-N 3.03Å; C422-A425 VanDerWaalsContact O-N 3.09Å; N423-A425 PolarHBondContact O-N 3.23Å; A425-Y427 PolarHBondContact O-N 3.43Å; A425-S428 WeakPolarHBondContact O-CB 3.37Å; A425-S428 PolarHBondContact O-N 3.46Å; A425-S428 PolarHBondContact O-OG 2.87Å
426	Q	37.9	Very low	42.8	Very low	124 Å²	124	79.6 Å²	79.6	58%	0.579	42%	0.418	S	S	*	.	H	α-helix	trans	-58.7	-26.4	165.8	-70	178.4	20.4	0	0	110.4	C422 N423 S428	C422-Q426 WeakPolarHBondContact O-CG 3.27Å; C422-Q426 PolarHBondContact O-N 3.47Å; N423-Q426 PolarHBondContact O-N 3.28Å; Q426-S428 PolarHBondContact O-N 3.2Å; Q426-S428 VanDerWaalsContact O-N 3.13Å
427	Y	40.2	Very low	42.1	Very low	59 Å²	59	78.1 Å²	78.1	23%	0.231	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	37.1	169.8	-54.4	-56.3	0	0	0	114.7	N423 F424 A425 S433 L436	N423-Y427 WeakPolarHBondContact O-CD2 3.25Å; N423-Y427 WeakPolarHBondContact O-CE2 3.48Å; F424-Y427 WeakPolarHBondContact O-CA 3.34Å; F424-Y427 VanDerWaalsContact O-CB 3.3Å; F424-Y427 WeakPolarHBondContact O-CB 3.43Å; F424-Y427 PolarHBondContact O-N 3.28Å; F424-Y427 VanDerWaalsContact O-N 3.14Å; A425-Y427 PolarHBondContact O-N 3.43Å; Y427-S433 WeakPolarHBondContact CB-O 3.44Å; Y427-S433 VanDerWaalsContact O-CB 3.23Å; Y427-S433 WeakPolarHBondContact O-CB 3.28Å; Y427-L436 HydrophobicContact CD1-CB 3.41Å; Y427-L436 VanDerWaalsContact CD1-CB 3.41Å; Y427-L436 HydrophobicContact CD1-CD1 3.89Å; Y427-L436 HydrophobicContact CD1-CG 4.23Å; Y427-L436 HydrophobicContact CE1-CB 3.32Å; Y427-L436 HydrophobicContact CE1-CD1 3.59Å; Y427-L436 HydrophobicContact CE1-CD2 4.28Å; Y427-L436 HydrophobicContact CE1-CG 3.88Å; Y427-L436 HydrophobicContact CG-CB 4.14Å
428	S	38	Very low	41.9	Very low	41 Å²	41	79.9 Å²	79.9	29%	0.287	41%	0.406	S	S	.	.			trans	-91.5	132.9	178.2	52.9	0	0	0	0	114.6	N375 A425 Q426 S430 S433	N375-S428 PolarHBondContact ND2-OG 2.91Å; A425-S428 WeakPolarHBondContact O-CB 3.37Å; A425-S428 PolarHBondContact O-N 3.46Å; A425-S428 PolarHBondContact O-OG 2.87Å; Q426-S428 PolarHBondContact O-N 3.2Å; Q426-S428 VanDerWaalsContact O-N 3.13Å; S428-S430 VanDerWaalsContact C-N 3.32Å; S428-S430 PolarHBondContact O-N 3.42Å; S428-S433 PolarHBondContact O-OG 3.4Å
429	N	41.3	Very low	41.8	Very low	146 Å²	146	79.9 Å²	79.9	78%	0.781	41%	0.414	S	S	*	.	S	Bend	trans	64.4	-16.3	165.1	-65.2	-5.8	0	0	0	120.5
430	S	37.7	Very low	41.6	Very low	54 Å²	54	76.9 Å²	76.9	38%	0.378	40%	0.4	S	S	.	.	S	Bend	trans	-82.4	154.3	171.2	81.2	0	0	0	0	112	S428 T432 S433 K434	S428-S430 VanDerWaalsContact C-N 3.32Å; S428-S430 PolarHBondContact O-N 3.42Å; S430-T432 PolarHBondContact O-N 2.85Å; S430-S433 WeakPolarHBondContact CA-OG 3.28Å; S430-S433 WeakPolarHBondContact CB-OG 3.47Å; S430-S433 PolarHBondContact N-OG 3.09Å; S430-S433 PolarHBondContact O-N 3.42Å; S430-S433 PolarHBondContact O-OG 2.88Å; S430-S433 WeakPolarHBondContact OG-CB 3.3Å; S430-S433 PolarHBondContact OG-N 2.92Å; S430-S433 VanDerWaalsContact OG-N 3.16Å; S430-S433 PolarHBondContact OG-OG 3.32Å; S430-K434 PolarHBondContact O-N 3.45Å
431	K	38.7	Very low	41.5	Very low	175 Å²	175	76.7 Å²	76.7	76%	0.761	39%	0.393	S	S	*	.	H	α-helix	trans	-57.5	-40.1	172.9	-175.1	175.8	179.1	-177.7	0	110.7	S433 K434 L435	K431-S433 VanDerWaalsContact C-N 3.3Å; K431-S433 PolarHBondContact O-N 3.25Å; K431-K434 PolarHBondContact O-N 3.05Å; K431-L435 WeakPolarHBondContact O-CG 3.43Å; K431-L435 PolarHBondContact O-N 3.28Å
432	T	37.6	Very low	41.8	Very low	93 Å²	93	77.9 Å²	77.9	57%	0.571	40%	0.401	S	S	*	.	H	α-helix	trans	-59.4	-41.5	178	-28.6	0	0	0	0	112.1	S430 L435 L436	S430-T432 PolarHBondContact O-N 2.85Å; T432-L435 PolarHBondContact O-N 2.88Å; T432-L436 HydrophobicContact CG2-CD1 4.43Å; T432-L436 PolarHBondContact O-N 3.36Å
433	S	35.6	Very low	41.9	Very low	5 Å²	5	81.5 Å²	81.5	4%	0.035	42%	0.419	C	S	.	.	H	α-helix	trans	-74.4	-36.2	-176.5	34.9	0	0	0	0	112.9	Y427 S428 S430 K431 L435 L436 F437	Y427-S433 WeakPolarHBondContact CB-O 3.44Å; Y427-S433 VanDerWaalsContact O-CB 3.23Å; Y427-S433 WeakPolarHBondContact O-CB 3.28Å; S428-S433 PolarHBondContact O-OG 3.4Å; S430-S433 WeakPolarHBondContact CA-OG 3.28Å; S430-S433 WeakPolarHBondContact CB-OG 3.47Å; S430-S433 PolarHBondContact N-OG 3.09Å; S430-S433 PolarHBondContact O-N 3.42Å; S430-S433 PolarHBondContact O-OG 2.88Å; S430-S433 WeakPolarHBondContact OG-CB 3.3Å; S430-S433 PolarHBondContact OG-N 2.92Å; S430-S433 VanDerWaalsContact OG-N 3.16Å; S430-S433 PolarHBondContact OG-OG 3.32Å; K431-S433 VanDerWaalsContact C-N 3.3Å; K431-S433 PolarHBondContact O-N 3.25Å; S433-L435 VanDerWaalsContact C-N 3.27Å; S433-L435 PolarHBondContact O-N 2.99Å; S433-L436 PolarHBondContact O-N 3.44Å; S433-F437 PolarHBondContact O-N 2.9Å
434	K	40.9	Very low	41.7	Very low	140 Å²	140	82.8 Å²	82.8	61%	0.609	43%	0.425	S	S	*	.	H	α-helix	trans	-61.1	-36.5	170.7	-66.4	177.6	-176.2	174.4	0	112.7	S430 K431 Q438	S430-K434 PolarHBondContact O-N 3.45Å; K431-K434 PolarHBondContact O-N 3.05Å; K434-Q438 PolarHBondContact O-N 3.45Å; K434-Q438 VanDerWaalsContact O-N 3.12Å
435	L	44.9	Very low	41.6	Very low	111 Å²	111	83.4 Å²	83.4	58%	0.581	43%	0.431	S	S	*	.	H	α-helix	trans	-69	-43	176.3	-72.1	167.8	0	0	0	111.7	K431 T432 S433 F437 Q438 A439	K431-L435 WeakPolarHBondContact O-CG 3.43Å; K431-L435 PolarHBondContact O-N 3.28Å; T432-L435 PolarHBondContact O-N 2.88Å; S433-L435 VanDerWaalsContact C-N 3.27Å; S433-L435 PolarHBondContact O-N 2.99Å; L435-F437 VanDerWaalsContact C-N 3.31Å; L435-F437 PolarHBondContact O-N 3.49Å; L435-Q438 PolarHBondContact O-N 3.06Å; L435-A439 PolarHBondContact O-N 3.34Å
436	L	44.9	Very low	41.9	Very low	82 Å²	82	85.2 Å²	85.2	43%	0.429	44%	0.443	S	S	.	.	H	α-helix	trans	-62.1	-39.6	175.3	-79.5	156.2	0	0	0	111.8	Y427 T432 S433 A439 Q440	Y427-L436 HydrophobicContact CD1-CB 3.41Å; Y427-L436 VanDerWaalsContact CD1-CB 3.41Å; Y427-L436 HydrophobicContact CD1-CD1 3.89Å; Y427-L436 HydrophobicContact CD1-CG 4.23Å; Y427-L436 HydrophobicContact CE1-CB 3.32Å; Y427-L436 HydrophobicContact CE1-CD1 3.59Å; Y427-L436 HydrophobicContact CE1-CD2 4.28Å; Y427-L436 HydrophobicContact CE1-CG 3.88Å; Y427-L436 HydrophobicContact CG-CB 4.14Å; T432-L436 HydrophobicContact CG2-CD1 4.43Å; T432-L436 PolarHBondContact O-N 3.36Å; S433-L436 PolarHBondContact O-N 3.44Å; L436-A439 PolarHBondContact O-N 3.03Å; L436-Q440 WeakPolarHBondContact O-CB 3.23Å; L436-Q440 PolarHBondContact O-N 3.13Å
437	F	38.6	Very low	41.9	Very low	65 Å²	65	84.3 Å²	84.3	29%	0.285	44%	0.439	S	S	.	.	H	α-helix	trans	-63.6	-41.3	174.3	177.9	-120.8	0	0	0	113.2	F424 S433 L435 Q440 L441	F424-F437 HydrophobicContact CD2-CB 4.25Å; F424-F437 HydrophobicContact CD2-CD1 4.28Å; F424-F437 AromaticContact CD2-CD2 2.98Å; F424-F437 HydrophobicContact CD2-CD2 2.98Å; F424-F437 HydrophobicContact CD2-CE1 4.35Å; F424-F437 AromaticContact CD2-CE2 3.08Å; F424-F437 HydrophobicContact CD2-CE2 3.08Å; F424-F437 AromaticContact CD2-CG 3.61Å; F424-F437 HydrophobicContact CD2-CG 3.61Å; F424-F437 AromaticContact CD2-CZ 3.79Å; F424-F437 HydrophobicContact CD2-CZ 3.79Å; F424-F437 HydrophobicContact CE1-CZ 4.45Å; F424-F437 HydrophobicContact CE2-CB 3.98Å; F424-F437 AromaticContact CE2-CD1 3.45Å; F424-F437 HydrophobicContact CE2-CD1 3.45Å; F424-F437 VanDerWaalsContact CE2-CD1 3.45Å; F424-F437 AromaticContact CE2-CD2 3.04Å; F424-F437 HydrophobicContact CE2-CD2 3.04Å; F424-F437 AromaticContact CE2-CE1 3.48Å; F424-F437 HydrophobicContact CE2-CE1 3.48Å; F424-F437 VanDerWaalsContact CE2-CE1 3.48Å; F424-F437 AromaticContact CE2-CE2 3.06Å; F424-F437 HydrophobicContact CE2-CE2 3.06Å; F424-F437 AromaticContact CE2-CG 3.2Å; F424-F437 HydrophobicContact CE2-CG 3.2Å; F424-F437 AromaticContact CE2-CZ 3.27Å; F424-F437 HydrophobicContact CE2-CZ 3.27Å; F424-F437 HydrophobicContact CG-CD2 4.13Å; F424-F437 AromaticContact CG-CE2 3.91Å; F424-F437 HydrophobicContact CG-CE2 3.91Å; F424-F437 HydrophobicContact CZ-CD1 4.17Å; F424-F437 HydrophobicContact CZ-CD2 4.18Å; F424-F437 AromaticContact CZ-CE1 3.82Å; F424-F437 HydrophobicContact CZ-CE1 3.82Å; F424-F437 AromaticContact CZ-CE2 3.83Å; F424-F437 HydrophobicContact CZ-CE2 3.83Å; F424-F437 HydrophobicContact CZ-CG 4.3Å; F424-F437 AromaticContact CZ-CZ 3.61Å; F424-F437 HydrophobicContact CZ-CZ 3.61Å; S433-F437 PolarHBondContact O-N 2.9Å; L435-F437 VanDerWaalsContact C-N 3.31Å; L435-F437 PolarHBondContact O-N 3.49Å; F437-Q440 PolarHBondContact O-N 2.81Å; F437-L441 HydrophobicContact CD1-CD1 3.94Å; F437-L441 HydrophobicContact CD2-CG 4.38Å; F437-L441 HydrophobicContact CE1-CD1 3.43Å; F437-L441 VanDerWaalsContact CE1-CD1 3.43Å; F437-L441 HydrophobicContact CE1-CG 4.16Å; F437-L441 HydrophobicContact CE2-CD1 4.18Å; F437-L441 HydrophobicContact CE2-CD2 4.34Å; F437-L441 HydrophobicContact CE2-CG 3.99Å; F437-L441 HydrophobicContact CZ-CD1 3.6Å; F437-L441 HydrophobicContact CZ-CD2 4.18Å; F437-L441 HydrophobicContact CZ-CG 3.89Å; F437-L441 PolarHBondContact O-N 2.89Å
438	Q	47.3	Very low	41.9	Very low	98 Å²	98	89 Å²	89	46%	0.458	46%	0.46	S	S	.	.	H	α-helix	trans	-61.2	-46.7	175.5	-176.8	62.5	43.6	0	0	110.6	K434 L435 Q440 L441 D442	K434-Q438 PolarHBondContact O-N 3.45Å; K434-Q438 VanDerWaalsContact O-N 3.12Å; L435-Q438 PolarHBondContact O-N 3.06Å; Q438-Q440 VanDerWaalsContact C-N 3.28Å; Q438-Q440 PolarHBondContact O-N 3.17Å; Q438-L441 WeakPolarHBondContact O-CB 3.49Å; Q438-L441 PolarHBondContact O-N 3.46Å; Q438-D442 PolarHBondContact NE2-OD1 2.83Å; Q438-D442 VanDerWaalsContact NE2-OD1 3.16Å; Q438-D442 VanDerWaalsContact O-CG 3.23Å; Q438-D442 PolarHBondContact O-N 2.93Å
439	A	46.7	Very low	41.9	Very low	54 Å²	54	92.4 Å²	92.4	45%	0.446	47%	0.472	S	S	.	.	H	α-helix	trans	-60.1	-37.9	177.2	0	0	0	0	0	112.5	L435 L436 D442 L443	L435-A439 PolarHBondContact O-N 3.34Å; L436-A439 PolarHBondContact O-N 3.03Å; A439-D442 PolarHBondContact O-N 3.48Å; A439-L443 PolarHBondContact O-N 3.4Å
440	Q	45.6	Very low	41.7	Very low	66 Å²	66	91.2 Å²	91.2	31%	0.308	47%	0.465	S	S	.	.	H	α-helix	trans	-73.3	-33.7	178.9	-145.3	174.1	9.8	0	0	112.6	L436 F437 Q438 L443 L444	L436-Q440 WeakPolarHBondContact O-CB 3.23Å; L436-Q440 PolarHBondContact O-N 3.13Å; F437-Q440 PolarHBondContact O-N 2.81Å; Q438-Q440 VanDerWaalsContact C-N 3.28Å; Q438-Q440 PolarHBondContact O-N 3.17Å; Q440-L443 PolarHBondContact O-N 3.09Å; Q440-L444 WeakPolarHBondContact O-CB 3.42Å; Q440-L444 PolarHBondContact O-N 3.14Å
441	L	45	Very low	41.4	Very low	62 Å²	62	96.8 Å²	96.8	33%	0.325	49%	0.485	S	S	.	.	H	α-helix	trans	-63.9	-43.2	169.7	-80	173.9	0	0	0	111.4	F437 Q438 L443 L444 I445	F437-L441 HydrophobicContact CD1-CD1 3.94Å; F437-L441 HydrophobicContact CD2-CG 4.38Å; F437-L441 HydrophobicContact CE1-CD1 3.43Å; F437-L441 VanDerWaalsContact CE1-CD1 3.43Å; F437-L441 HydrophobicContact CE1-CG 4.16Å; F437-L441 HydrophobicContact CE2-CD1 4.18Å; F437-L441 HydrophobicContact CE2-CD2 4.34Å; F437-L441 HydrophobicContact CE2-CG 3.99Å; F437-L441 HydrophobicContact CZ-CD1 3.6Å; F437-L441 HydrophobicContact CZ-CD2 4.18Å; F437-L441 HydrophobicContact CZ-CG 3.89Å; F437-L441 PolarHBondContact O-N 2.89Å; Q438-L441 WeakPolarHBondContact O-CB 3.49Å; Q438-L441 PolarHBondContact O-N 3.46Å; L441-L443 VanDerWaalsContact C-N 3.27Å; L441-L443 PolarHBondContact O-N 3.38Å; L441-L444 PolarHBondContact O-N 2.9Å; L441-I445 WeakPolarHBondContact O-CB 3.33Å; L441-I445 WeakPolarHBondContact O-CD1 3.41Å; L441-I445 WeakPolarHBondContact O-CG1 3.3Å; L441-I445 PolarHBondContact O-N 3.43Å
442	D	46.6	Very low	41.1	Very low	85 Å²	85	94.6 Å²	94.6	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-63.1	-36.5	177.2	-62.8	-27	0	0	0	110.8	Q438 A439 S446	Q438-D442 PolarHBondContact NE2-OD1 2.83Å; Q438-D442 VanDerWaalsContact NE2-OD1 3.16Å; Q438-D442 VanDerWaalsContact O-CG 3.23Å; Q438-D442 PolarHBondContact O-N 2.93Å; A439-D442 PolarHBondContact O-N 3.48Å; D442-S446 PolarHBondContact O-N 2.87Å; D442-S446 VanDerWaalsContact O-N 3.1Å
443	L	52.7	Low	41.1	Very low	100 Å²	100	95 Å²	95	52%	0.524	48%	0.476	S	S	.	.	H	α-helix	trans	-66.6	-46.2	173.8	-146.2	93.8	0	0	0	112.5	A439 Q440 L441 I445 S446 E447	A439-L443 PolarHBondContact O-N 3.4Å; Q440-L443 PolarHBondContact O-N 3.09Å; L441-L443 VanDerWaalsContact C-N 3.27Å; L441-L443 PolarHBondContact O-N 3.38Å; L443-I445 VanDerWaalsContact C-N 3.34Å; L443-I445 PolarHBondContact O-N 3.4Å; L443-S446 CarbonylContact O-C 3.56Å; L443-S446 WeakPolarHBondContact O-CA 3.43Å; L443-S446 WeakPolarHBondContact O-CB 3.38Å; L443-S446 PolarHBondContact O-N 3.43Å; L443-S446 PolarHBondContact O-OG 2.94Å; L443-E447 PolarHBondContact O-N 3.13Å
444	L	36.9	Very low	40.8	Very low	87 Å²	87	99 Å²	99	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-66.4	-33.7	178.8	-100.1	157.6	0	0	0	112.9	Q440 L441 S446 E447 K448	Q440-L444 WeakPolarHBondContact O-CB 3.42Å; Q440-L444 PolarHBondContact O-N 3.14Å; L441-L444 PolarHBondContact O-N 2.9Å; L444-S446 VanDerWaalsContact C-N 3.3Å; L444-E447 PolarHBondContact O-N 3.06Å; L444-K448 WeakPolarHBondContact O-CB 3.35Å; L444-K448 PolarHBondContact O-N 2.67Å
445	I	39.3	Very low	40.2	Very low	98 Å²	98	100.2 Å²	100.2	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-42.1	170.2	-68.8	164.3	0	0	0	108.9	L441 L443 E447 K448 E449	L441-I445 WeakPolarHBondContact O-CB 3.33Å; L441-I445 WeakPolarHBondContact O-CD1 3.41Å; L441-I445 WeakPolarHBondContact O-CG1 3.3Å; L441-I445 PolarHBondContact O-N 3.43Å; L443-I445 VanDerWaalsContact C-N 3.34Å; L443-I445 PolarHBondContact O-N 3.4Å; I445-E447 PolarHBondContact O-N 3.24Å; I445-K448 PolarHBondContact O-N 2.88Å; I445-E449 PolarHBondContact O-N 3.05Å
446	S	42.8	Very low	39.2	Very low	44 Å²	44	100.2 Å²	100.2	31%	0.308	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-32.4	175	92.9	0	0	0	0	113.8	D442 L443 L444	D442-S446 PolarHBondContact O-N 2.87Å; D442-S446 VanDerWaalsContact O-N 3.1Å; L443-S446 CarbonylContact O-C 3.56Å; L443-S446 WeakPolarHBondContact O-CA 3.43Å; L443-S446 WeakPolarHBondContact O-CB 3.38Å; L443-S446 PolarHBondContact O-N 3.43Å; L443-S446 PolarHBondContact O-OG 2.94Å; L444-S446 VanDerWaalsContact C-N 3.3Å
447	E	39.2	Very low	38.1	Very low	105 Å²	105	100 Å²	100	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-79.8	-32.9	178.1	-74.8	178.9	174.7	0	0	113.1	L443 L444 I445 E449 L450 Q451	L443-E447 PolarHBondContact O-N 3.13Å; L444-E447 PolarHBondContact O-N 3.06Å; I445-E447 PolarHBondContact O-N 3.24Å; E447-E449 VanDerWaalsContact C-N 3.3Å; E447-L450 WeakPolarHBondContact O-CA 3.15Å; E447-L450 VanDerWaalsContact O-CB 3.23Å; E447-L450 WeakPolarHBondContact O-CB 3.47Å; E447-L450 PolarHBondContact O-N 3.28Å; E447-Q451 PolarHBondContact O-N 2.79Å
448	K	39	Very low	37.4	Very low	157 Å²	157	102.8 Å²	102.8	68%	0.683	55%	0.549	S	S	*	.	H	α-helix	trans	-70.8	-28	174.7	-84.3	-165.9	173.4	-177.1	0	112.9	L444 I445 L450 Q451 H452	L444-K448 WeakPolarHBondContact O-CB 3.35Å; L444-K448 PolarHBondContact O-N 2.67Å; I445-K448 PolarHBondContact O-N 2.88Å; K448-L450 PolarHBondContact O-N 2.96Å; K448-Q451 PolarHBondContact O-N 3.44Å; K448-H452 PolarHBondContact O-N 3.19Å
449	E	37.7	Very low	36.3	Very low	113 Å²	113	105.5 Å²	105.5	53%	0.528	56%	0.563	S	S	.	*	H	α-helix	trans	-64.9	-25.3	167.1	-72.1	-177.6	174	0	0	111.7	I445 E447 N453	I445-E449 PolarHBondContact O-N 3.05Å; E447-E449 VanDerWaalsContact C-N 3.3Å; E449-N453 PolarHBondContact O-ND2 2.93Å
450	L	38.7	Very low	35.4	Very low	121 Å²	121	109.7 Å²	109.7	63%	0.634	58%	0.579	S	S	*	*	H	α-helix	trans	-79.6	-31.8	176.4	-110.5	151.1	0	0	0	114.1	E447 K448	E447-L450 WeakPolarHBondContact O-CA 3.15Å; E447-L450 VanDerWaalsContact O-CB 3.23Å; E447-L450 WeakPolarHBondContact O-CB 3.47Å; E447-L450 PolarHBondContact O-N 3.28Å; K448-L450 PolarHBondContact O-N 2.96Å
451	Q	31.7	Very low	34.3	Very low	171 Å²	171	112.1 Å²	112.1	80%	0.799	59%	0.59	S	S	*	*	H	α-helix	trans	-82.9	-24.8	175.7	-69.5	-152.1	-5.6	0	0	114.3	E447 K448 N453	E447-Q451 PolarHBondContact O-N 2.79Å; K448-Q451 PolarHBondContact O-N 3.44Å; Q451-N453 VanDerWaalsContact C-N 3.25Å; Q451-N453 PolarHBondContact O-N 3.37Å
452	H	31.8	Very low	33.4	Very low	129 Å²	129	115.4 Å²	115.4	60%	0.597	61%	0.608	S	S	*	*	H	α-helix	trans	-73.7	-21.7	174.9	-159.4	-72.7	0	0	0	112.1	K448	K448-H452 PolarHBondContact O-N 3.19Å
453	N	37.8	Very low	32.4	Very low	101 Å²	101	119.1 Å²	119.1	54%	0.54	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.1	-1.5	-172.7	-71.1	-10.3	0	0	0	115.4	E449 Q451 S457	E449-N453 PolarHBondContact O-ND2 2.93Å; Q451-N453 VanDerWaalsContact C-N 3.25Å; Q451-N453 PolarHBondContact O-N 3.37Å; N453-S457 PolarHBondContact O-OG 3.46Å
454	S	29.7	Very low	30.9	Very low	90 Å²	90	123.8 Å²	123.8	63%	0.629	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	0	178.2	-62.7	0	0	0	0	115.5
455	L	27.2	Very low	30.2	Very low	166 Å²	166	126.2 Å²	126.2	87%	0.869	66%	0.656	S	S	*	*	S	Bend	trans	-114.1	8	173	-82.7	162.6	0	0	0	114.2
456	T	23.4	Very low	29.3	Very low	111 Å²	111	127.1 Å²	127.1	68%	0.681	67%	0.668	S	S	*	*	S	Bend	trans	-125.2	49.9	164.4	61.8	0	0	0	0	110.3
457	S	21.6	Very low	28.3	Very low	78 Å²	78	130.5 Å²	130.5	55%	0.545	69%	0.687	S	S	.	*			trans	-111.2	135.8	164.6	-60.1	0	0	0	0	106.3	N453	N453-S457 PolarHBondContact O-OG 3.46Å
458	T	25	Very low	27.5	Very low	123 Å²	123	131.5 Å²	131.5	76%	0.755	70%	0.701	S	S	*	*			trans	82.7	115.8	-172.3	82.7	0	0	0	0	112.4
459	M	24.9	Very low	26.7	Very low	154 Å²	154	128.5 Å²	128.5	76%	0.759	70%	0.699	S	S	*	*			cis	-150.2	136.2	29.5	-81.1	-67.1	162.1	0	0	111.4
460	N	27	Very low	26	Very low	143 Å²	143	130.5 Å²	130.5	77%	0.765	71%	0.712	S	S	*	*			trans	19.6	115.2	141	-73.9	-13.9	0	0	0	119.3
461	E	23	Very low	25.2	Very low	116 Å²	116	130.4 Å²	130.4	54%	0.542	72%	0.72	S	S	.	*				0.1	141.1	125	-59.1	-170.1	165.4	0	0	118.1	M1	M1-E461 WeakPolarHBondContact CE-OE1 3.43Å; M1-E461 WeakPolarHBondContact CE-OE2 3.2Å
462	N	26.2	Very low	24.9	Very low	132 Å²	132	131.1 Å²	131.1	71%	0.706	72%	0.721	S	S	*	*			trans	72.4	86	156.1	-50	-27.2	0	0	0	114.4
463	N	25.6	Very low	24.6	Very low	162 Å²	162	132.9 Å²	132.9	87%	0.866	73%	0.729	S	S	*	*				-164.7	115.5	123.1	-88.6	-29.8	0	0	0	111.1	I465	N463-I465 PolarHBondContact O-N 2.81Å
464	F	20.9	Very low	24.1	Very low	198 Å²	198	135.3 Å²	135.3	87%	0.868	74%	0.742	S	S	*	*			trans	-37.4	121.2	145.5	-116.6	-110.5	0	0	0	110.1
465	I	21.8	Very low	23.8	Very low	138 Å²	138	140.7 Å²	140.7	71%	0.708	76%	0.757	S	S	*	*			trans	165.8	105.1	135.5	-77	149.7	0	0	0	106	N463 T467	N463-I465 PolarHBondContact O-N 2.81Å; I465-T467 HydrophobicContact CG2-CG2 4.17Å; I465-T467 PolarHBondContact O-N 3.17Å
466	P	21.4	Very low	23.6	Very low	117 Å²	117	140 Å²	140	76%	0.76	75%	0.753	S	S	*	*			trans	-79.1	101.5	165.9	25.2	-18.4	0	0	0	108.7	T468	P466-T468 PolarHBondContact O-N 2.78Å; P466-T468 VanDerWaalsContact O-N 3.14Å
467	T	20.5	Very low	23.5	Very low	116 Å²	116	142.1 Å²	142.1	71%	0.712	76%	0.76	S	S	*	*			trans	-71.5	99.3	158.8	48.6	0	0	0	0	107.8	I465 S469	I465-T467 HydrophobicContact CG2-CG2 4.17Å; I465-T467 PolarHBondContact O-N 3.17Å; T467-S469 PolarHBondContact O-N 3.47Å
468	T	23.6	Very low	23.6	Very low	125 Å²	125	145.2 Å²	145.2	77%	0.767	77%	0.769	S	S	*	*			trans	-64.5	110.4	165.3	48.4	0	0	0	0	108.5	P466	P466-T468 PolarHBondContact O-N 2.78Å; P466-T468 VanDerWaalsContact O-N 3.14Å
469	S	21.7	Very low	23.5	Very low	94 Å²	94	143.7 Å²	143.7	66%	0.657	76%	0.763	S	S	*	*			trans	-110	127.6	172.1	50.4	0	0	0	0	110.4	T467	T467-S469 PolarHBondContact O-N 3.47Å
470	I	22.4	Very low	23.7	Very low	156 Å²	156	141.2 Å²	141.2	80%	0.8	76%	0.761	S	S	*	*			trans	77.6	78.2	144.1	-53.2	159.4	0	0	0	115.9
471	C	22.4	Very low	23.8	Very low	119 Å²	119	142.6 Å²	142.6	80%	0.804	77%	0.767	S	S	*	*				-2.3	138.3	129.8	-29.8	0	0	0	0	117.9
472	K	25.3	Very low	24.3	Very low	185 Å²	185	143.5 Å²	143.5	80%	0.804	78%	0.775	S	S	*	*	S	Bend	trans	-66.8	146	160.6	-63.5	175.4	177.9	179.4	0	110.8
473	E	25.9	Very low	24.8	Very low	167 Å²	167	141.8 Å²	141.8	78%	0.78	77%	0.773	S	S	*	*	S	Bend	trans	54	113.9	141.3	-67.3	170.1	173	0	0	118.6
474	N	26.9	Very low	25.4	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	77%	0.77	S	S	*	*			trans	74	117.2	154.6	-57.5	-19.2	0	0	0	117.2	I476	N474-I476 PolarHBondContact O-N 2.89Å; N474-I476 VanDerWaalsContact O-N 3.16Å
475	H	24.2	Very low	26	Very low	202 Å²	202	135.5 Å²	135.5	94%	0.935	75%	0.752	S	S	*	*			trans	-47.7	109.4	177.9	-73.2	-86.6	0	0	0	113.5
476	I	23.1	Very low	26.4	Very low	152 Å²	152	134 Å²	134	78%	0.779	75%	0.745	S	S	*	*			trans	-134.8	112.3	153	-56.7	179.7	0	0	0	108	N474 I478	N474-I476 PolarHBondContact O-N 2.89Å; N474-I476 VanDerWaalsContact O-N 3.16Å; I476-I478 HydrophobicContact CG2-CD1 4.38Å; I476-I478 HydrophobicContact CG2-CG1 4.29Å; I476-I478 PolarHBondContact O-N 3.34Å
477	N	20.8	Very low	27	Very low	155 Å²	155	134.4 Å²	134.4	83%	0.829	74%	0.737	S	S	*	*			trans	-82.8	99.6	179.7	-175.9	11.2	0	0	0	109.2
478	I	22.4	Very low	27.6	Very low	143 Å²	143	132 Å²	132	73%	0.733	72%	0.724	S	S	*	*			trans	-140.1	98.6	163.2	-57.3	-179.8	0	0	0	107.8	I476	I476-I478 HydrophobicContact CG2-CD1 4.38Å; I476-I478 HydrophobicContact CG2-CG1 4.29Å; I476-I478 PolarHBondContact O-N 3.34Å
479	S	23.6	Very low	28.4	Very low	91 Å²	91	130.5 Å²	130.5	64%	0.636	71%	0.711	S	S	*	*			trans	-59	148.6	159.7	44.8	0	0	0	0	110.2
480	S	28.3	Very low	29.5	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	70%	0.699	S	S	*	*			trans	86.6	87.3	166.2	-32.5	0	0	0	0	115.8
481	I	30.8	Very low	30.4	Very low	172 Å²	172	127.4 Å²	127.4	88%	0.882	69%	0.687	S	S	*	*			trans	-158.8	140.6	137.2	-87.5	134.9	0	0	0	109.3
482	N	31.8	Very low	31.4	Very low	135 Å²	135	125 Å²	125	72%	0.722	67%	0.672	S	S	*	*			trans	-76.3	161	-156.2	-152	-8.8	0	0	0	115	N484	N482-N484 PolarHBondContact O-N 3.28Å
483	S	36.8	Very low	32.6	Very low	95 Å²	95	121.4 Å²	121.4	66%	0.664	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-58.7	6.8	-165.6	53.8	0	0	0	0	119	V485	S483-V485 VanDerWaalsContact C-N 3.33Å; S483-V485 PolarHBondContact O-N 2.82Å
484	N	38.4	Very low	33.6	Very low	149 Å²	149	117.7 Å²	117.7	80%	0.797	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-79.7	-11.4	-173.3	-119.5	-4.3	0	0	0	114.5	N482	N482-N484 PolarHBondContact O-N 3.28Å
485	V	33.9	Very low	34.6	Very low	80 Å²	80	116.2 Å²	116.2	49%	0.485	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-87.4	-20.9	-173.2	-173.6	0	0	0	0	113.3	S483 H487 S488 I489	S483-V485 VanDerWaalsContact C-N 3.33Å; S483-V485 PolarHBondContact O-N 2.82Å; V485-H487 PolarHBondContact O-N 3.47Å; V485-S488 VanDerWaalsContact C-OG 3.3Å; V485-S488 WeakPolarHBondContact CA-OG 3.38Å; V485-S488 PolarHBondContact O-N 3.44Å; V485-S488 PolarHBondContact O-OG 2.79Å; V485-I489 HydrophobicContact CG1-CD1 4.07Å; V485-I489 HydrophobicContact CG1-CG1 4.33Å; V485-I489 WeakPolarHBondContact O-CG1 3.44Å; V485-I489 PolarHBondContact O-N 3.24Å
486	N	30.6	Very low	35.8	Very low	105 Å²	105	112 Å²	112	56%	0.561	61%	0.612	S	S	*	*	H	α-helix	trans	-68.5	-33.9	-174.6	-73.7	-21.7	0	0	0	113.2	S488 I489 S490	N486-S488 VanDerWaalsContact C-N 3.32Å; N486-S488 PolarHBondContact O-N 2.97Å; N486-I489 PolarHBondContact O-N 3.15Å; N486-S490 PolarHBondContact O-N 2.96Å
487	H	33.5	Very low	37.1	Very low	127 Å²	127	106.5 Å²	106.5	59%	0.588	58%	0.584	S	S	*	*	H	α-helix	trans	-72.1	-28.3	178.9	-152.8	-39.3	0	0	0	112.5	V485 S490 K491	V485-H487 PolarHBondContact O-N 3.47Å; H487-S490 PolarHBondContact O-OG 3.44Å; H487-K491 PolarHBondContact O-N 3.4Å
488	S	34	Very low	38.5	Very low	65 Å²	65	104.7 Å²	104.7	46%	0.455	57%	0.571	S	S	.	*	H	α-helix	trans	-71	-35.5	174.5	26.7	0	0	0	0	112.7	V485 N486 S492	V485-S488 VanDerWaalsContact C-OG 3.3Å; V485-S488 WeakPolarHBondContact CA-OG 3.38Å; V485-S488 PolarHBondContact O-N 3.44Å; V485-S488 PolarHBondContact O-OG 2.79Å; N486-S488 VanDerWaalsContact C-N 3.32Å; N486-S488 PolarHBondContact O-N 2.97Å; S488-S492 VanDerWaalsContact O-CB 3.25Å; S488-S492 WeakPolarHBondContact O-CB 3.33Å; S488-S492 PolarHBondContact O-N 3.45Å
489	I	40	Very low	39.7	Very low	93 Å²	93	103.2 Å²	103.2	48%	0.477	56%	0.561	S	S	.	*	H	α-helix	trans	-71.6	-42.8	-177.1	-62	166.8	0	0	0	111.4	V485 N486 K491 S492 M493	V485-I489 HydrophobicContact CG1-CD1 4.07Å; V485-I489 HydrophobicContact CG1-CG1 4.33Å; V485-I489 WeakPolarHBondContact O-CG1 3.44Å; V485-I489 PolarHBondContact O-N 3.24Å; N486-I489 PolarHBondContact O-N 3.15Å; I489-K491 PolarHBondContact O-N 2.78Å; I489-S492 WeakPolarHBondContact O-CB 3.43Å; I489-S492 PolarHBondContact O-N 2.89Å; I489-M493 PolarHBondContact O-N 3.26Å
490	S	43.5	Very low	40.8	Very low	60 Å²	60	102.1 Å²	102.1	42%	0.42	55%	0.547	S	S	.	.	H	α-helix	trans	-66	-38.4	178.6	65.9	0	0	0	0	112.3	N486 H487 N494	N486-S490 PolarHBondContact O-N 2.96Å; H487-S490 PolarHBondContact O-OG 3.44Å; S490-N494 WeakPolarHBondContact O-CB 3.44Å; S490-N494 PolarHBondContact O-N 3.45Å; S490-N494 VanDerWaalsContact O-N 3.16Å; S490-N494 PolarHBondContact O-ND2 3.15Å
491	K	41.8	Very low	41.7	Very low	125 Å²	125	101 Å²	101	54%	0.543	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-44	171.2	-84.2	179.6	173.7	173.5	0	111.5	H487 I489 N494 Q495	H487-K491 PolarHBondContact O-N 3.4Å; I489-K491 PolarHBondContact O-N 2.78Å; K491-N494 PolarHBondContact O-N 3.49Å; K491-Q495 VanDerWaalsContact O-CB 3.26Å; K491-Q495 WeakPolarHBondContact O-CB 3.14Å; K491-Q495 VanDerWaalsContact O-CG 3.31Å; K491-Q495 WeakPolarHBondContact O-CG 3.2Å; K491-Q495 PolarHBondContact O-N 3.5Å
492	S	44.2	Very low	42.5	Very low	69 Å²	69	98.8 Å²	98.8	48%	0.483	52%	0.522	S	S	.	.	H	α-helix	trans	-61.2	-45.1	178.6	167.3	0	0	0	0	112.4	S488 I489 Q495 F496	S488-S492 VanDerWaalsContact O-CB 3.25Å; S488-S492 WeakPolarHBondContact O-CB 3.33Å; S488-S492 PolarHBondContact O-N 3.45Å; I489-S492 WeakPolarHBondContact O-CB 3.43Å; I489-S492 PolarHBondContact O-N 2.89Å; S492-Q495 PolarHBondContact O-N 2.84Å; S492-F496 WeakPolarHBondContact O-CB 3.35Å; S492-F496 PolarHBondContact O-N 2.86Å
493	M	50.6	Low	43.2	Very low	110 Å²	110	98.1 Å²	98.1	54%	0.542	52%	0.519	S	S	.	.	H	α-helix	trans	-70.6	-39.3	-178.7	-160.3	71.5	76.1	0	0	112.1	I489 F496 N497	I489-M493 PolarHBondContact O-N 3.26Å; M493-F496 PolarHBondContact O-N 3.19Å; M493-N497 WeakPolarHBondContact O-CB 3.42Å; M493-N497 VanDerWaalsContact O-CG 3.25Å; M493-N497 PolarHBondContact O-N 2.76Å; M493-N497 PolarHBondContact O-ND2 3.49Å
494	N	47.4	Very low	43.7	Very low	88 Å²	88	99.6 Å²	99.6	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-66.9	-37.6	173.1	-79.4	-33.4	0	0	0	112	S490 K491 N497 Q498	S490-N494 WeakPolarHBondContact O-CB 3.44Å; S490-N494 PolarHBondContact O-N 3.45Å; S490-N494 VanDerWaalsContact O-N 3.16Å; S490-N494 PolarHBondContact O-ND2 3.15Å; K491-N494 PolarHBondContact O-N 3.49Å; N494-N497 PolarHBondContact O-N 3.46Å; N494-Q498 WeakPolarHBondContact O-CB 3.1Å; N494-Q498 VanDerWaalsContact O-CG 3.32Å; N494-Q498 WeakPolarHBondContact O-CG 3.3Å; N494-Q498 PolarHBondContact O-N 3.35Å
495	Q	47.8	Very low	44.1	Very low	122 Å²	122	102 Å²	102	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-65.1	-39.4	172.4	-82.5	178.2	-16.3	0	0	111.8	K491 S492 Q498 Q499	K491-Q495 VanDerWaalsContact O-CB 3.26Å; K491-Q495 WeakPolarHBondContact O-CB 3.14Å; K491-Q495 VanDerWaalsContact O-CG 3.31Å; K491-Q495 WeakPolarHBondContact O-CG 3.2Å; K491-Q495 PolarHBondContact O-N 3.5Å; S492-Q495 PolarHBondContact O-N 2.84Å; Q495-Q498 PolarHBondContact O-N 2.91Å; Q495-Q499 VanDerWaalsContact O-CB 3.3Å; Q495-Q499 WeakPolarHBondContact O-CB 3.46Å; Q495-Q499 WeakPolarHBondContact O-CG 3.48Å; Q495-Q499 PolarHBondContact O-N 3.19Å
496	F	49.4	Very low	44.9	Very low	114 Å²	114	101.1 Å²	101.1	50%	0.5	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-42.6	174.6	-174.6	-104.2	0	0	0	111.3	S492 M493 Q499 I500	S492-F496 WeakPolarHBondContact O-CB 3.35Å; S492-F496 PolarHBondContact O-N 2.86Å; M493-F496 PolarHBondContact O-N 3.19Å; F496-Q499 WeakPolarHBondContact O-CB 3.19Å; F496-Q499 PolarHBondContact O-N 2.73Å; F496-I500 HydrophobicContact CD1-CD1 3.82Å; F496-I500 HydrophobicContact CE1-CD1 3.38Å; F496-I500 HydrophobicContact CE1-CG1 4.25Å; F496-I500 HydrophobicContact CZ-CD1 3.91Å; F496-I500 HydrophobicContact CZ-CG1 4.43Å; F496-I500 WeakPolarHBondContact O-CG1 3.13Å; F496-I500 PolarHBondContact O-N 3.27Å
497	N	49.5	Very low	46.5	Very low	35 Å²	35	103.8 Å²	103.8	19%	0.187	52%	0.52	C	S	.	.	H	α-helix	trans	-66.3	-41.5	176	-70.5	-23.5	0	0	0	112.1	M493 N494 Q499 I500 I501	M493-N497 WeakPolarHBondContact O-CB 3.42Å; M493-N497 VanDerWaalsContact O-CG 3.25Å; M493-N497 PolarHBondContact O-N 2.76Å; M493-N497 PolarHBondContact O-ND2 3.49Å; N494-N497 PolarHBondContact O-N 3.46Å; N497-Q499 VanDerWaalsContact C-N 3.32Å; N497-I500 PolarHBondContact O-N 3.06Å; N497-I501 WeakPolarHBondContact O-CD1 3.19Å; N497-I501 VanDerWaalsContact O-CG1 3.24Å; N497-I501 WeakPolarHBondContact O-CG1 3.46Å; N497-I501 PolarHBondContact O-N 3.07Å
498	Q	50.4	Low	48.8	Very low	117 Å²	117	99.3 Å²	99.3	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-64.5	-36.6	171.9	-75.4	178	12	0	0	111.5	N494 Q495 I501 N502	N494-Q498 WeakPolarHBondContact O-CB 3.1Å; N494-Q498 VanDerWaalsContact O-CG 3.32Å; N494-Q498 WeakPolarHBondContact O-CG 3.3Å; N494-Q498 PolarHBondContact O-N 3.35Å; Q495-Q498 PolarHBondContact O-N 2.91Å; Q498-I501 PolarHBondContact O-N 2.63Å; Q498-N502 VanDerWaalsContact O-CB 3.31Å; Q498-N502 WeakPolarHBondContact O-CB 3.43Å; Q498-N502 VanDerWaalsContact O-CG 3.23Å; Q498-N502 PolarHBondContact O-N 3.48Å
499	Q	46.7	Very low	50.9	Low	112 Å²	112	99.8 Å²	99.8	52%	0.523	50%	0.495	S	S	.	.	H	α-helix	trans	-63.9	-39.9	173	-87.6	-176.1	-0.4	0	0	111.9	Q495 F496 N497 N502 N503	Q495-Q499 VanDerWaalsContact O-CB 3.3Å; Q495-Q499 WeakPolarHBondContact O-CB 3.46Å; Q495-Q499 WeakPolarHBondContact O-CG 3.48Å; Q495-Q499 PolarHBondContact O-N 3.19Å; F496-Q499 WeakPolarHBondContact O-CB 3.19Å; F496-Q499 PolarHBondContact O-N 2.73Å; N497-Q499 VanDerWaalsContact C-N 3.32Å; Q499-N502 PolarHBondContact O-N 2.69Å; Q499-N503 VanDerWaalsContact O-CB 3.28Å; Q499-N503 WeakPolarHBondContact O-CB 3.32Å; Q499-N503 PolarHBondContact O-N 3.03Å
500	I	47.3	Very low	52.7	Low	68 Å²	68	99.5 Å²	99.5	35%	0.349	50%	0.499	S	S	.	.	H	α-helix	trans	-65.3	-42.1	174.8	-68.1	170.6	0	0	0	110.9	F496 N497 N502	F496-I500 HydrophobicContact CD1-CD1 3.82Å; F496-I500 HydrophobicContact CE1-CD1 3.38Å; F496-I500 HydrophobicContact CE1-CG1 4.25Å; F496-I500 HydrophobicContact CZ-CD1 3.91Å; F496-I500 HydrophobicContact CZ-CG1 4.43Å; F496-I500 WeakPolarHBondContact O-CG1 3.13Å; F496-I500 PolarHBondContact O-N 3.27Å; N497-I500 PolarHBondContact O-N 3.06Å; I500-N502 VanDerWaalsContact C-N 3.27Å; I500-N502 PolarHBondContact O-N 3.18Å
501	I	46.4	Very low	54.4	Low	81 Å²	81	97.2 Å²	97.2	42%	0.415	48%	0.482	S	S	.	.	H	α-helix	trans	-63.3	-34.9	177	-67.1	163.2	0	0	0	111.3	N497 Q498 H504 C508	N497-I501 WeakPolarHBondContact O-CD1 3.19Å; N497-I501 VanDerWaalsContact O-CG1 3.24Å; N497-I501 WeakPolarHBondContact O-CG1 3.46Å; N497-I501 PolarHBondContact O-N 3.07Å; Q498-I501 PolarHBondContact O-N 2.63Å; I501-H504 CarbonylContact C-O 3.55Å; I501-C508 HydrophobicContact CG1-CB 4.39Å
502	N	47.8	Very low	55.9	Low	125 Å²	125	96.8 Å²	96.8	67%	0.668	49%	0.493	S	S	*	.	H	α-helix	trans	-88.4	-40.1	-175.8	-71.3	-2.7	0	0	0	113.5	Q498 Q499 I500 H504	Q498-N502 VanDerWaalsContact O-CB 3.31Å; Q498-N502 WeakPolarHBondContact O-CB 3.43Å; Q498-N502 VanDerWaalsContact O-CG 3.23Å; Q498-N502 PolarHBondContact O-N 3.48Å; Q499-N502 PolarHBondContact O-N 2.69Å; I500-N502 VanDerWaalsContact C-N 3.27Å; I500-N502 PolarHBondContact O-N 3.18Å; N502-H504 VanDerWaalsContact C-N 3.29Å; N502-H504 PolarHBondContact O-N 3.46Å
503	N	48.2	Very low	57.3	Low	121 Å²	121	100.6 Å²	100.6	65%	0.647	50%	0.5	S	S	*	.	H	α-helix	trans	-74.7	-21.3	-173.8	-81.9	5.3	0	0	0	113.5	Q499	Q499-N503 VanDerWaalsContact O-CB 3.28Å; Q499-N503 WeakPolarHBondContact O-CB 3.32Å; Q499-N503 PolarHBondContact O-N 3.03Å
504	H	46.1	Very low	58.9	Low	125 Å²	125	97.5 Å²	97.5	58%	0.579	49%	0.489	S	S	*	.	S	Bend	trans	-136	135.9	166.2	-61.9	-68	0	0	0	105.9	I501 N502 I506	I501-H504 CarbonylContact C-O 3.55Å; N502-H504 VanDerWaalsContact C-N 3.29Å; N502-H504 PolarHBondContact O-N 3.46Å; H504-I506 HydrophobicContact CB-CB 4.44Å; H504-I506 HydrophobicContact CB-CD1 3.43Å; H504-I506 VanDerWaalsContact CB-CD1 3.43Å; H504-I506 HydrophobicContact CB-CG1 3.55Å; H504-I506 PolarHBondContact O-N 3.05Å
505	Q	47.7	Very low	60.7	Low	201 Å²	201	100.6 Å²	100.6	94%	0.939	51%	0.506	S	S	*	.			trans	-64.9	40.2	175.3	-64	171.5	5.7	0	0	112.4	K507	Q505-K507 PolarHBondContact O-N 3.14Å
506	I	50.4	Low	62.3	Low	60 Å²	60	99 Å²	99	31%	0.308	50%	0.495	S	S	.	.			trans	-84.7	93.7	179.7	-59.3	170.2	0	0	0	105.8	H504 C508 K519	H504-I506 HydrophobicContact CB-CB 4.44Å; H504-I506 HydrophobicContact CB-CD1 3.43Å; H504-I506 VanDerWaalsContact CB-CD1 3.43Å; H504-I506 HydrophobicContact CB-CG1 3.55Å; H504-I506 PolarHBondContact O-N 3.05Å; I506-C508 PolarHBondContact O-N 3.2Å; I506-C508 PolarHBondContact O-SG 3.27Å; I506-K519 HydrophobicContact CG2-CG 4.23Å
507	K	64.6	Low	63.7	Low	161 Å²	161	96.2 Å²	96.2	70%	0.7	49%	0.487	S	S	*	.			trans	-54.1	109.3	171	-160.6	168.1	-174.1	172.4	0	109	Q505 Y509	Q505-K507 PolarHBondContact O-N 3.14Å; K507-Y509 WeakPolarHBondContact O-CE2 3.49Å
508	C	80.7	Confident	65.1	Low	33 Å²	33	94.6 Å²	94.6	22%	0.223	48%	0.479	C	S	.	.			trans	-95.9	158.8	176.5	-66.6	0	0	0	0	110.5	I501 I506	I501-C508 HydrophobicContact CG1-CB 4.39Å; I506-C508 PolarHBondContact O-N 3.2Å; I506-C508 PolarHBondContact O-SG 3.27Å
509	Y	77.9	Confident	66.4	Low	76 Å²	76	94.8 Å²	94.8	30%	0.298	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	94	-175	-61.7	-89.1	0	0	0	109.6	K507 A518 P521	K507-Y509 WeakPolarHBondContact O-CE2 3.49Å; Y509-A518 PolarHBondContact N-O 3.2Å; Y509-A518 PolarHBondContact O-N 3.02Å; Y509-P521 HydrophobicContact CD1-CG 4.25Å; Y509-P521 HydrophobicContact CD2-CG 4.24Å; Y509-P521 HydrophobicContact CE1-CB 4.44Å; Y509-P521 HydrophobicContact CE1-CG 3.75Å; Y509-P521 VanDerWaalsContact CE2-CD 3.47Å; Y509-P521 HydrophobicContact CE2-CG 3.75Å; Y509-P521 HydrophobicContact CG-CG 4.47Å; Y509-P521 VanDerWaalsContact CZ-CG 3.47Å
510	P	77.9	Confident	67.8	Low	87 Å²	87	97.2 Å²	97.2	57%	0.565	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	145.8	179.9	28.4	-33.6	0	0	0	112	T517 L524	P510-T517 HydrophobicContact CB-CG2 4.08Å; P510-L524 WeakPolarHBondContact O-CD2 3.32Å
511	C	79.2	Confident	68.9	Low	11 Å²	11	97.1 Å²	97.1	7%	0.074	49%	0.486	C	S	.	.			trans	-77.3	134.2	170.3	-178.2	0	0	0	0	110.8	K513 Y516 L524 H527 H531	C511-K513 PolarHBondContact O-N 3.23Å; C511-K513 PolarHBondContact SG-N 3.3Å; C511-K513 VanDerWaalsContact SG-N 3.4Å; C511-Y516 WeakPolarHBondContact CB-O 3.28Å; C511-Y516 PolarHBondContact N-O 2.9Å; C511-L524 HydrophobicContact CB-CD1 3.84Å; C511-H527 PolarHBondContact SG-CD2 3.36Å; C511-H527 PolarHBondContact SG-NE2 3.21Å; C511-H531 PolarHBondContact SG-NE2 3.04Å; C511-H531 VanDerWaalsContact SG-NE2 3.45Å
512	P	74.6	Confident	70.2	Confident	117 Å²	117	97.5 Å²	97.5	76%	0.76	49%	0.493	S	S	*	.	S	Bend	trans	-71.7	-13.7	177.7	28	-35.1	0	0	0	113.8
513	K	72.2	Confident	71.5	Confident	148 Å²	148	95 Å²	95	64%	0.643	48%	0.477	S	S	*	.	S	Bend	trans	-108.4	-12.6	-173.9	-65.7	-172	175.8	-171.9	0	114.5	C511 H531	C511-K513 PolarHBondContact O-N 3.23Å; C511-K513 PolarHBondContact SG-N 3.3Å; C511-K513 VanDerWaalsContact SG-N 3.4Å; K513-H531 HydrophobicContact CD-CB 3.76Å
514	C	84.6	Confident	72.7	Confident	45 Å²	45	90.6 Å²	90.6	30%	0.304	45%	0.453	S	S	.	.	S	Bend	trans	-158.7	170.9	179.4	72.4	0	0	0	0	110.9	Y516 H527	C514-Y516 PolarHBondContact O-N 2.78Å; C514-Y516 VanDerWaalsContact SG-CB 3.55Å; C514-H527 PolarHBondContact SG-CE1 3.21Å; C514-H527 PolarHBondContact SG-NE2 3.39Å
515	N	84.6	Confident	74.1	Confident	153 Å²	153	91.3 Å²	91.3	82%	0.818	46%	0.457	S	S	*	.	S	Bend	trans	-75.2	13.5	-176.1	-60.8	-14.4	0	0	0	114.5
516	Y	82.8	Confident	75.3	Confident	89 Å²	89	85.5 Å²	85.5	35%	0.349	43%	0.428	S	S	.	.			trans	-75.3	128.4	177.8	-179.8	-101.9	0	0	0	110.8	C511 C514 A518 H527	C511-Y516 WeakPolarHBondContact CB-O 3.28Å; C511-Y516 PolarHBondContact N-O 2.9Å; C514-Y516 PolarHBondContact O-N 2.78Å; C514-Y516 VanDerWaalsContact SG-CB 3.55Å; Y516-A518 HydrophobicContact CE1-CB 3.88Å; Y516-H527 HydrophobicContact CD1-CB 3.86Å; Y516-H527 AromaticContact CD1-CD2 3.66Å; Y516-H527 AromaticContact CD1-CE1 3.75Å; Y516-H527 AromaticContact CD1-CG 3.31Å; Y516-H527 AromaticContact CD1-ND1 3.38Å; Y516-H527 WeakPolarHBondContact CD1-ND1 3.39Å; Y516-H527 AromaticContact CD1-NE2 3.93Å; Y516-H527 HydrophobicContact CE1-CB 3.67Å; Y516-H527 AromaticContact CE1-CG 3.65Å; Y516-H527 AromaticContact CE1-ND1 3.82Å; Y516-H527 AromaticContact CG-CE1 3.7Å; Y516-H527 AromaticContact CG-ND1 3.64Å
517	T	78.1	Confident	76.8	Confident	55 Å²	55	84 Å²	84	34%	0.337	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.3	173.8	53.4	0	0	0	0	110.1	P510	P510-T517 HydrophobicContact CB-CG2 4.08Å
518	A	78.5	Confident	77.1	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.008	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.1	175.8	0	0	0	0	0	111.3	Y509 Y516 W520 E523 L524	Y509-A518 PolarHBondContact N-O 3.2Å; Y509-A518 PolarHBondContact O-N 3.02Å; Y516-A518 HydrophobicContact CE1-CB 3.88Å; A518-W520 VanDerWaalsContact C-N 3.33Å; A518-W520 WeakPolarHBondContact CB-O 3.28Å; A518-E523 HydrophobicContact CB-CB 4.19Å; A518-L524 HydrophobicContact CB-CB 3.77Å
519	K	79.1	Confident	76.8	Confident	121 Å²	121	81.1 Å²	81.1	53%	0.526	41%	0.41	S	S	.	.	S	Bend	trans	-73.6	-25.4	170.4	-174.7	173	-179.9	174.4	0	112.9	I506	I506-K519 HydrophobicContact CG2-CG 4.23Å
520	W	75.6	Confident	76.7	Confident	164 Å²	164	81 Å²	81	62%	0.621	42%	0.417	S	S	*	.	S	Bend	trans	-131.2	146.3	-174.7	-51.2	91	0	0	0	111	A518 T522 E523 L524	A518-W520 VanDerWaalsContact C-N 3.33Å; A518-W520 WeakPolarHBondContact CB-O 3.28Å; W520-T522 VanDerWaalsContact C-N 3.27Å; W520-T522 PolarHBondContact O-N 3.24Å; W520-E523 PolarHBondContact O-N 3.29Å; W520-E523 VanDerWaalsContact O-N 3.15Å; W520-L524 PolarHBondContact O-N 3.32Å; W520-L524 VanDerWaalsContact O-N 3.14Å
521	P	70.7	Confident	76.6	Confident	66 Å²	66	79.8 Å²	79.8	43%	0.429	40%	0.404	S	S	.	.	H	α-helix	trans	-58.4	-38.3	177.4	-21	29	0	0	0	113.3	Y509 E523 L524 Q525	Y509-P521 HydrophobicContact CD1-CG 4.25Å; Y509-P521 HydrophobicContact CD2-CG 4.24Å; Y509-P521 HydrophobicContact CE1-CB 4.44Å; Y509-P521 HydrophobicContact CE1-CG 3.75Å; Y509-P521 VanDerWaalsContact CE2-CD 3.47Å; Y509-P521 HydrophobicContact CE2-CG 3.75Å; Y509-P521 HydrophobicContact CG-CG 4.47Å; Y509-P521 VanDerWaalsContact CZ-CG 3.47Å; P521-E523 VanDerWaalsContact C-N 3.26Å; P521-E523 PolarHBondContact O-N 3.46Å; P521-L524 PolarHBondContact O-N 2.66Å; P521-Q525 PolarHBondContact O-N 2.74Å
522	T	73.5	Confident	76.1	Confident	89 Å²	89	81.4 Å²	81.4	55%	0.546	42%	0.418	S	S	.	.	H	α-helix	trans	-64.7	-32.4	-179.3	52.1	0	0	0	0	112.3	W520 K526	W520-T522 VanDerWaalsContact C-N 3.27Å; W520-T522 PolarHBondContact O-N 3.24Å; T522-K526 WeakPolarHBondContact O-CG 3.39Å; T522-K526 PolarHBondContact O-N 2.87Å
523	E	75	Confident	75.7	Confident	72 Å²	72	83.2 Å²	83.2	34%	0.336	42%	0.421	S	S	.	.	H	α-helix	trans	-78.5	-36.5	177.2	-163.5	59.6	-154	0	0	111.1	A518 W520 P521 Q525 K526 H527	A518-E523 HydrophobicContact CB-CB 4.19Å; W520-E523 PolarHBondContact O-N 3.29Å; W520-E523 VanDerWaalsContact O-N 3.15Å; P521-E523 VanDerWaalsContact C-N 3.26Å; P521-E523 PolarHBondContact O-N 3.46Å; E523-Q525 VanDerWaalsContact C-N 3.34Å; E523-Q525 PolarHBondContact O-N 3.44Å; E523-K526 PolarHBondContact O-N 3.3Å; E523-K526 IonicContact OE2-NZ 2.81Å; E523-K526 PolarHBondContact OE2-NZ 3.23Å; E523-H527 WeakPolarHBondContact O-CB 3.3Å; E523-H527 PolarHBondContact O-N 3.39Å
524	L	74.1	Confident	75.6	Confident	29 Å²	29	78.9 Å²	78.9	15%	0.152	41%	0.41	C	S	.	.	H	α-helix	trans	-60.6	-44.3	169.3	178.2	60	0	0	0	111	P510 C511 A518 W520 P521 K526 H527 V528	P510-L524 WeakPolarHBondContact O-CD2 3.32Å; C511-L524 HydrophobicContact CB-CD1 3.84Å; A518-L524 HydrophobicContact CB-CB 3.77Å; W520-L524 PolarHBondContact O-N 3.32Å; W520-L524 VanDerWaalsContact O-N 3.14Å; P521-L524 PolarHBondContact O-N 2.66Å; L524-K526 VanDerWaalsContact C-N 3.34Å; L524-K526 PolarHBondContact O-N 3.44Å; L524-H527 CarbonylContact O-C 3.4Å; L524-H527 WeakPolarHBondContact O-CA 3.15Å; L524-H527 WeakPolarHBondContact O-CB 3.16Å; L524-H527 PolarHBondContact O-N 3.12Å; L524-H527 VanDerWaalsContact O-N 3.08Å; L524-V528 HydrophobicContact CD1-CG2 4.03Å; L524-V528 HydrophobicContact CG-CG2 4.23Å; L524-V528 WeakPolarHBondContact O-CG2 3.49Å; L524-V528 PolarHBondContact O-N 2.8Å
525	Q	74.4	Confident	75.2	Confident	139 Å²	139	83.1 Å²	83.1	65%	0.65	42%	0.42	S	S	*	.	H	α-helix	trans	-61.2	-42.1	179.4	-169.4	179.8	5.5	0	0	111.9	P521 E523 H527 V528 M529	P521-Q525 PolarHBondContact O-N 2.74Å; E523-Q525 VanDerWaalsContact C-N 3.34Å; E523-Q525 PolarHBondContact O-N 3.44Å; Q525-H527 VanDerWaalsContact C-N 3.33Å; Q525-V528 PolarHBondContact O-N 3.45Å; Q525-M529 PolarHBondContact O-N 3.15Å
526	K	73.6	Confident	74.7	Confident	79 Å²	79	79.7 Å²	79.7	34%	0.343	41%	0.405	S	S	.	.	H	α-helix	trans	-63.2	-40.5	172.4	-70.1	179.3	-152.9	153.5	0	112.3	T522 E523 L524 M529 W550	T522-K526 WeakPolarHBondContact O-CG 3.39Å; T522-K526 PolarHBondContact O-N 2.87Å; E523-K526 PolarHBondContact O-N 3.3Å; E523-K526 IonicContact OE2-NZ 2.81Å; E523-K526 PolarHBondContact OE2-NZ 3.23Å; L524-K526 VanDerWaalsContact C-N 3.34Å; L524-K526 PolarHBondContact O-N 3.44Å; K526-M529 HydrophobicContact CB-CE 4.28Å; K526-M529 HydrophobicContact CG-CE 4.13Å; K526-M529 WeakPolarHBondContact O-CB 3.41Å; K526-M529 PolarHBondContact O-N 2.79Å; K526-W550 HydrophobicContact CD-CH2 4.49Å
527	H	80.9	Confident	74.5	Confident	28 Å²	28	78.9 Å²	78.9	13%	0.13	40%	0.404	C	S	.	.	H	α-helix	trans	-65.2	-41.7	176.9	171.5	84.9	0	0	0	111.8	C511 C514 Y516 E523 L524 Q525 M529 V530 H531	C511-H527 PolarHBondContact SG-CD2 3.36Å; C511-H527 PolarHBondContact SG-NE2 3.21Å; C514-H527 PolarHBondContact SG-CE1 3.21Å; C514-H527 PolarHBondContact SG-NE2 3.39Å; Y516-H527 HydrophobicContact CD1-CB 3.86Å; Y516-H527 AromaticContact CD1-CD2 3.66Å; Y516-H527 AromaticContact CD1-CE1 3.75Å; Y516-H527 AromaticContact CD1-CG 3.31Å; Y516-H527 AromaticContact CD1-ND1 3.38Å; Y516-H527 WeakPolarHBondContact CD1-ND1 3.39Å; Y516-H527 AromaticContact CD1-NE2 3.93Å; Y516-H527 HydrophobicContact CE1-CB 3.67Å; Y516-H527 AromaticContact CE1-CG 3.65Å; Y516-H527 AromaticContact CE1-ND1 3.82Å; Y516-H527 AromaticContact CG-CE1 3.7Å; Y516-H527 AromaticContact CG-ND1 3.64Å; E523-H527 WeakPolarHBondContact O-CB 3.3Å; E523-H527 PolarHBondContact O-N 3.39Å; L524-H527 CarbonylContact O-C 3.4Å; L524-H527 WeakPolarHBondContact O-CA 3.15Å; L524-H527 WeakPolarHBondContact O-CB 3.16Å; L524-H527 PolarHBondContact O-N 3.12Å; L524-H527 VanDerWaalsContact O-N 3.08Å; Q525-H527 VanDerWaalsContact C-N 3.33Å; H527-M529 PolarHBondContact O-N 3.45Å; H527-V530 WeakPolarHBondContact O-CA 3.46Å; H527-V530 WeakPolarHBondContact O-CB 3.3Å; H527-V530 WeakPolarHBondContact O-CG2 3.44Å; H527-V530 PolarHBondContact O-N 3.39Å; H527-H531 AromaticContact CD2-NE2 3.8Å; H527-H531 AromaticContact CE1-NE2 3.69Å; H527-H531 AromaticContact NE2-CD2 3.73Å; H527-H531 AromaticContact NE2-NE2 2.97Å; H527-H531 PolarHBondContact NE2-NE2 3.02Å
528	V	72.3	Confident	74.5	Confident	60 Å²	60	81 Å²	81	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-59.6	-34.2	176.3	172.7	0	0	0	0	110.8	L524 Q525 V530 H531 A532	L524-V528 HydrophobicContact CD1-CG2 4.03Å; L524-V528 HydrophobicContact CG-CG2 4.23Å; L524-V528 WeakPolarHBondContact O-CG2 3.49Å; L524-V528 PolarHBondContact O-N 2.8Å; Q525-V528 PolarHBondContact O-N 3.45Å; V528-V530 PolarHBondContact O-N 2.9Å; V528-H531 PolarHBondContact O-N 3.12Å; V528-H531 VanDerWaalsContact O-N 3.15Å; V528-A532 PolarHBondContact O-N 3.42Å
529	M	73.7	Confident	74.7	Confident	74 Å²	74	81 Å²	81	37%	0.365	41%	0.412	S	S	.	.	H	α-helix	trans	-59.9	-29.8	171.4	-66.7	-169.1	-77.9	0	0	112.2	Q525 K526 H527 H531 A532 K547	Q525-M529 PolarHBondContact O-N 3.15Å; K526-M529 HydrophobicContact CB-CE 4.28Å; K526-M529 HydrophobicContact CG-CE 4.13Å; K526-M529 WeakPolarHBondContact O-CB 3.41Å; K526-M529 PolarHBondContact O-N 2.79Å; H527-M529 PolarHBondContact O-N 3.45Å; M529-H531 PolarHBondContact O-N 3.23Å; M529-A532 CarbonylContact O-C 3.59Å; M529-A532 WeakPolarHBondContact O-CA 3.46Å; M529-A532 WeakPolarHBondContact O-CB 3.24Å; M529-A532 PolarHBondContact O-N 3.36Å; M529-K547 WeakPolarHBondContact O-CE 3.46Å; M529-K547 PolarHBondContact O-NZ 2.86Å
530	V	75.1	Confident	74.7	Confident	73 Å²	73	79.6 Å²	79.6	44%	0.442	42%	0.416	S	S	.	.	H	α-helix	trans	-55.1	-42	175.6	-177.9	0	0	0	0	111.3	H527 V528 A532 K547 W548	H527-V530 WeakPolarHBondContact O-CA 3.46Å; H527-V530 WeakPolarHBondContact O-CB 3.3Å; H527-V530 WeakPolarHBondContact O-CG2 3.44Å; H527-V530 PolarHBondContact O-N 3.39Å; V528-V530 PolarHBondContact O-N 2.9Å; V530-A532 VanDerWaalsContact C-N 3.31Å; V530-A532 PolarHBondContact O-N 3.4Å; V530-K547 VanDerWaalsContact CA-CE 3.47Å; V530-K547 VanDerWaalsContact CA-NZ 3.25Å; V530-K547 PolarHBondContact O-NZ 2.97Å; V530-W548 HydrophobicContact CG2-CZ2 4.28Å
531	H	76.5	Confident	74.9	Confident	63 Å²	63	75.1 Å²	75.1	29%	0.292	41%	0.407	S	S	.	.	H	α-helix	trans	-71.8	-23.3	176.2	-59.1	-68.5	0	0	0	113.6	C511 K513 H527 V528 M529	C511-H531 PolarHBondContact SG-NE2 3.04Å; C511-H531 VanDerWaalsContact SG-NE2 3.45Å; K513-H531 HydrophobicContact CD-CB 3.76Å; H527-H531 AromaticContact CD2-NE2 3.8Å; H527-H531 AromaticContact CE1-NE2 3.69Å; H527-H531 AromaticContact NE2-CD2 3.73Å; H527-H531 AromaticContact NE2-NE2 2.97Å; H527-H531 PolarHBondContact NE2-NE2 3.02Å; V528-H531 PolarHBondContact O-N 3.12Å; V528-H531 VanDerWaalsContact O-N 3.15Å; M529-H531 PolarHBondContact O-N 3.23Å
532	A	67.8	Low	75.6	Confident	44 Å²	44	74 Å²	74	36%	0.364	40%	0.4	S	S	.	.	S	Bend	trans	-82.8	115.6	170.8	0	0	0	0	0	109.2	V528 M529 V530 S534 K547	V528-A532 PolarHBondContact O-N 3.42Å; M529-A532 CarbonylContact O-C 3.59Å; M529-A532 WeakPolarHBondContact O-CA 3.46Å; M529-A532 WeakPolarHBondContact O-CB 3.24Å; M529-A532 PolarHBondContact O-N 3.36Å; V530-A532 VanDerWaalsContact C-N 3.31Å; V530-A532 PolarHBondContact O-N 3.4Å; A532-S534 PolarHBondContact O-N 3.19Å; A532-K547 PolarHBondContact O-NZ 3.28Å
533	N	67.1	Low	76	Confident	155 Å²	155	75.3 Å²	75.3	83%	0.829	41%	0.408	S	S	*	.			trans	-70.6	14.5	173	-72.3	-19	0	0	0	113.3
534	S	69.3	Low	76.4	Confident	58 Å²	58	74.9 Å²	74.9	41%	0.406	41%	0.411	S	S	.	.			trans	-72	135.1	177.7	-178	0	0	0	0	112	A532	A532-S534 PolarHBondContact O-N 3.19Å
535	R	76.6	Confident	76.7	Confident	134 Å²	134	75.5 Å²	75.5	51%	0.506	42%	0.417	S	S	.	.			trans	-127	72.9	-179.9	-58.5	176.7	82.5	94.1	-3.5	109.8	F537 S545 Y546	R535-F537 VanDerWaalsContact C-N 3.26Å; R535-F537 PolarHBondContact O-N 2.81Å; R535-S545 WeakPolarHBondContact CB-OG 3.44Å; R535-S545 PolarHBondContact NE-O 3.36Å; R535-S545 PolarHBondContact NH2-O 2.86Å; R535-S545 WeakPolarHBondContact O-CB 3.49Å; R535-Y546 CarbonylContact C-O 3.53Å; R535-Y546 WeakPolarHBondContact CA-O 3.47Å
536	P	75.2	Confident	77.1	Confident	80 Å²	80	70.8 Å²	70.8	52%	0.519	39%	0.394	S	S	.	.			trans	-74.9	-11.6	-167.7	29	-34.7	0	0	0	114.3
537	F	77.3	Confident	77.3	Confident	73 Å²	73	68.5 Å²	68.5	32%	0.32	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	102.2	-174.1	-60.3	-79.9	0	0	0	111	R535 S545 Y546 K547 L552	R535-F537 VanDerWaalsContact C-N 3.26Å; R535-F537 PolarHBondContact O-N 2.81Å; F537-S545 CarbonylContact O-C 3.54Å; F537-S545 WeakPolarHBondContact O-CA 3.41Å; F537-Y546 WeakPolarHBondContact CB-O 3.23Å; F537-Y546 PolarHBondContact N-O 3.29Å; F537-Y546 PolarHBondContact O-N 2.72Å; F537-K547 VanDerWaalsContact CD2-O 3.29Å; F537-K547 WeakPolarHBondContact CD2-O 3.48Å; F537-K547 VanDerWaalsContact CE2-O 3.28Å; F537-K547 WeakPolarHBondContact CE2-O 3.36Å; F537-L552 HydrophobicContact CB-CB 4.09Å; F537-L552 HydrophobicContact CB-CD2 3.87Å
538	I	78.9	Confident	77.3	Confident	99 Å²	99	70.1 Å²	70.1	51%	0.508	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.4	-175.4	-57.3	171.8	0	0	0	110.6	T543 Y567	I538-T543 WeakPolarHBondContact CG2-O 3.27Å; I538-Y567 PolarHBondContact O-OH 3.19Å
539	C	82	Confident	77.5	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.007	38%	0.383	C	S	.	.			trans	-71.9	129.9	172.1	-175.7	0	0	0	0	111	V541 C542 T543 T544 L552 H555 H560	C539-V541 PolarHBondContact O-N 3.27Å; C539-V541 PolarHBondContact SG-N 3.25Å; C539-C542 VanDerWaalsContact SG-SG 3.69Å; C539-T543 WeakPolarHBondContact O-CA 3.44Å; C539-T543 PolarHBondContact O-N 3.44Å; C539-T544 PolarHBondContact N-O 3.29Å; C539-L552 HydrophobicContact CB-CD1 3.66Å; C539-H555 WeakPolarHBondContact CB-NE2 3.26Å; C539-H555 PolarHBondContact SG-NE2 2.75Å; C539-H560 PolarHBondContact SG-NE2 3.45Å
540	C	79.3	Confident	77.9	Confident	91 Å²	91	71.7 Å²	71.7	62%	0.615	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.6	178.1	58.9	0	0	0	0	114.7	Y567	C540-Y567 PolarHBondContact N-OH 3.42Å; C540-Y567 PolarHBondContact SG-OH 3.45Å
541	V	80.1	Confident	78.4	Confident	70 Å²	70	69.2 Å²	69.2	42%	0.424	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-49.7	-177	-179.5	0	0	0	0	111.7	C539 F556 H560 L563	C539-V541 PolarHBondContact O-N 3.27Å; C539-V541 PolarHBondContact SG-N 3.25Å; V541-F556 HydrophobicContact CG2-CE2 3.81Å; V541-F556 HydrophobicContact CG2-CZ 4.4Å; V541-H560 WeakPolarHBondContact CG1-CE1 3.33Å; V541-L563 HydrophobicContact CG1-CD1 4.34Å; V541-L563 HydrophobicContact CG2-CD1 3.7Å
542	C	84.5	Confident	78.7	Confident	43 Å²	43	66.4 Å²	66.4	29%	0.291	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	11	-177.9	67.7	0	0	0	0	114.2	C539 T544 H555	C539-C542 VanDerWaalsContact SG-SG 3.69Å; C542-T544 PolarHBondContact O-N 2.87Å; C542-T544 PolarHBondContact O-OG1 3.34Å; C542-T544 PolarHBondContact SG-OG1 2.72Å; C542-T544 VanDerWaalsContact SG-OG1 3.34Å; C542-H555 PolarHBondContact SG-CE1 2.88Å; C542-H555 PolarHBondContact SG-NE2 2.84Å
543	T	82.8	Confident	79.4	Confident	116 Å²	116	64.7 Å²	64.7	71%	0.712	35%	0.348	S	S	*	.			trans	53.2	11.3	177.9	63.2	0	0	0	0	116.1	I538 C539	I538-T543 WeakPolarHBondContact CG2-O 3.27Å; C539-T543 WeakPolarHBondContact O-CA 3.44Å; C539-T543 PolarHBondContact O-N 3.44Å
544	T	83.6	Confident	80.2	Confident	63 Å²	63	64.5 Å²	64.5	39%	0.387	34%	0.335	S	S	.	.			trans	-72.2	132.8	179.6	-56.8	0	0	0	0	110.4	C539 C542 Y546	C539-T544 PolarHBondContact N-O 3.29Å; C542-T544 PolarHBondContact O-N 2.87Å; C542-T544 PolarHBondContact O-OG1 3.34Å; C542-T544 PolarHBondContact SG-OG1 2.72Å; C542-T544 VanDerWaalsContact SG-OG1 3.34Å; T544-Y546 HydrophobicContact CG2-CE2 3.84Å; T544-Y546 WeakPolarHBondContact CG2-OH 3.25Å; T544-Y546 WeakPolarHBondContact O-CE2 3.45Å
545	S	79.8	Confident	81.2	Confident	42 Å²	42	62.6 Å²	62.6	29%	0.294	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.6	-176.4	70.9	0	0	0	0	113.3	R535 F537	R535-S545 WeakPolarHBondContact CB-OG 3.44Å; R535-S545 PolarHBondContact NE-O 3.36Å; R535-S545 PolarHBondContact NH2-O 2.86Å; R535-S545 WeakPolarHBondContact O-CB 3.49Å; F537-S545 CarbonylContact O-C 3.54Å; F537-S545 WeakPolarHBondContact O-CA 3.41Å
546	Y	83	Confident	81.5	Confident	40 Å²	40	56.5 Å²	56.5	16%	0.157	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.4	-176.7	-64.7	-83.1	0	0	0	111.1	R535 F537 T544 D551 L552 H555	R535-Y546 CarbonylContact C-O 3.53Å; R535-Y546 WeakPolarHBondContact CA-O 3.47Å; F537-Y546 WeakPolarHBondContact CB-O 3.23Å; F537-Y546 PolarHBondContact N-O 3.29Å; F537-Y546 PolarHBondContact O-N 2.72Å; T544-Y546 HydrophobicContact CG2-CE2 3.84Å; T544-Y546 WeakPolarHBondContact CG2-OH 3.25Å; T544-Y546 WeakPolarHBondContact O-CE2 3.45Å; Y546-D551 HydrophobicContact CD1-CB 3.71Å; Y546-D551 HydrophobicContact CG-CB 4.13Å; Y546-L552 HydrophobicContact CD2-CB 3.88Å; Y546-L552 HydrophobicContact CD2-CD1 3.85Å; Y546-L552 HydrophobicContact CD2-CG 4.47Å; Y546-L552 HydrophobicContact CE2-CD1 4.12Å; Y546-L552 HydrophobicContact CG-CB 4.22Å; Y546-H555 HydrophobicContact CE1-CB 3.93Å; Y546-H555 HydrophobicContact CE2-CB 3.64Å; Y546-H555 AromaticContact CE2-CD2 3.59Å; Y546-H555 AromaticContact CE2-CG 3.47Å; Y546-H555 VanDerWaalsContact CE2-CG 3.47Å; Y546-H555 AromaticContact CZ-CD2 3.96Å; Y546-H555 AromaticContact CZ-CG 3.34Å; Y546-H555 AromaticContact CZ-ND1 3.72Å; Y546-H555 VanDerWaalsContact OH-CB 3.27Å; Y546-H555 WeakPolarHBondContact OH-CB 3.33Å; Y546-H555 PolarHBondContact OH-ND1 2.98Å
547	K	77.2	Confident	82.1	Confident	31 Å²	31	55.9 Å²	55.9	14%	0.135	29%	0.292	C	S	.	.	S	Bend	trans	-73.4	-34.8	178.4	-166.1	177	-169.5	110.5	0	112.5	M529 V530 A532 F537	M529-K547 WeakPolarHBondContact O-CE 3.46Å; M529-K547 PolarHBondContact O-NZ 2.86Å; V530-K547 VanDerWaalsContact CA-CE 3.47Å; V530-K547 VanDerWaalsContact CA-NZ 3.25Å; V530-K547 PolarHBondContact O-NZ 2.97Å; A532-K547 PolarHBondContact O-NZ 3.28Å; F537-K547 VanDerWaalsContact CD2-O 3.29Å; F537-K547 WeakPolarHBondContact CD2-O 3.48Å; F537-K547 VanDerWaalsContact CE2-O 3.28Å; F537-K547 WeakPolarHBondContact CE2-O 3.36Å
548	W	80.6	Confident	82.7	Confident	62 Å²	62	58 Å²	58	24%	0.235	31%	0.306	C	S	.	.	S	Bend	trans	-128.8	150	-177.4	-59.1	-58.2	0	0	0	112.9	V530 W550 D551 L552	V530-W548 HydrophobicContact CG2-CZ2 4.28Å; W548-W550 HydrophobicContact CB-CD2 3.59Å; W548-W550 HydrophobicContact CB-CE3 3.9Å; W548-W550 HydrophobicContact CB-CG 4.25Å; W548-W550 HydrophobicContact CB-CH2 3.66Å; W548-W550 HydrophobicContact CB-CZ2 3.33Å; W548-W550 HydrophobicContact CB-CZ3 3.92Å; W548-W550 AromaticContact CD1-CH2 3.45Å; W548-W550 VanDerWaalsContact CD1-CH2 3.45Å; W548-W550 AromaticContact CD1-CZ2 3.59Å; W548-W550 AromaticContact CD2-CE2 3.85Å; W548-W550 AromaticContact CD2-CH2 4Å; W548-W550 HydrophobicContact CD2-CH2 4Å; W548-W550 AromaticContact CD2-CZ2 3.29Å; W548-W550 HydrophobicContact CD2-CZ2 3.29Å; W548-W550 AromaticContact CE2-CZ2 3.91Å; W548-W550 AromaticContact CE3-CE2 3.98Å; W548-W550 AromaticContact CE3-CZ2 3.74Å; W548-W550 HydrophobicContact CE3-CZ2 3.74Å; W548-W550 AromaticContact CE3-NE1 3.75Å; W548-W550 HydrophobicContact CG-CD2 4.32Å; W548-W550 AromaticContact CG-CE2 3.56Å; W548-W550 AromaticContact CG-CH2 3.41Å; W548-W550 HydrophobicContact CG-CH2 3.41Å; W548-W550 VanDerWaalsContact CG-CH2 3.41Å; W548-W550 AromaticContact CG-CZ2 3.08Å; W548-W550 HydrophobicContact CG-CZ2 3.08Å; W548-W550 HydrophobicContact CG-CZ3 4.15Å; W548-W550 PolarHBondContact O-N 3.21Å; W548-D551 PolarHBondContact O-N 3.38Å; W548-D551 VanDerWaalsContact O-N 3.15Å; W548-L552 PolarHBondContact O-N 3.29Å
549	S	77.6	Confident	83.2	Confident	33 Å²	33	56.3 Å²	56.3	23%	0.231	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-31.7	-177.9	70.6	0	0	0	0	113.1	G553	S549-G553 PolarHBondContact O-N 3.3Å
550	W	81.4	Confident	83.4	Confident	134 Å²	134	57.6 Å²	57.6	51%	0.508	31%	0.309	S	S	.	.	H	α-helix	trans	-72.4	-30.7	178.5	56	79.9	0	0	0	112.3	K526 W548 G553 R554	K526-W550 HydrophobicContact CD-CH2 4.49Å; W548-W550 HydrophobicContact CB-CD2 3.59Å; W548-W550 HydrophobicContact CB-CE3 3.9Å; W548-W550 HydrophobicContact CB-CG 4.25Å; W548-W550 HydrophobicContact CB-CH2 3.66Å; W548-W550 HydrophobicContact CB-CZ2 3.33Å; W548-W550 HydrophobicContact CB-CZ3 3.92Å; W548-W550 AromaticContact CD1-CH2 3.45Å; W548-W550 VanDerWaalsContact CD1-CH2 3.45Å; W548-W550 AromaticContact CD1-CZ2 3.59Å; W548-W550 AromaticContact CD2-CE2 3.85Å; W548-W550 AromaticContact CD2-CH2 4Å; W548-W550 HydrophobicContact CD2-CH2 4Å; W548-W550 AromaticContact CD2-CZ2 3.29Å; W548-W550 HydrophobicContact CD2-CZ2 3.29Å; W548-W550 AromaticContact CE2-CZ2 3.91Å; W548-W550 AromaticContact CE3-CE2 3.98Å; W548-W550 AromaticContact CE3-CZ2 3.74Å; W548-W550 HydrophobicContact CE3-CZ2 3.74Å; W548-W550 AromaticContact CE3-NE1 3.75Å; W548-W550 HydrophobicContact CG-CD2 4.32Å; W548-W550 AromaticContact CG-CE2 3.56Å; W548-W550 AromaticContact CG-CH2 3.41Å; W548-W550 HydrophobicContact CG-CH2 3.41Å; W548-W550 VanDerWaalsContact CG-CH2 3.41Å; W548-W550 AromaticContact CG-CZ2 3.08Å; W548-W550 HydrophobicContact CG-CZ2 3.08Å; W548-W550 HydrophobicContact CG-CZ3 4.15Å; W548-W550 PolarHBondContact O-N 3.21Å; W550-G553 PolarHBondContact O-N 3.01Å; W550-R554 WeakPolarHBondContact O-CB 3.41Å; W550-R554 PolarHBondContact O-N 3.42Å
551	D	85.3	Confident	83.6	Confident	22 Å²	22	57.7 Å²	57.7	12%	0.118	31%	0.309	C	S	.	.	H	α-helix	trans	-68.8	-42	173.4	-63.8	-44.8	0	0	0	110.9	Y546 W548 G553 R554 H555	Y546-D551 HydrophobicContact CD1-CB 3.71Å; Y546-D551 HydrophobicContact CG-CB 4.13Å; W548-D551 PolarHBondContact O-N 3.38Å; W548-D551 VanDerWaalsContact O-N 3.15Å; D551-G553 VanDerWaalsContact C-N 3.32Å; D551-G553 PolarHBondContact O-N 3.39Å; D551-R554 PolarHBondContact O-N 3.42Å; D551-R554 IonicContact OD1-CZ 2.97Å; D551-R554 IonicContact OD1-NH2 3.14Å; D551-R554 PolarHBondContact OD1-NH2 3.22Å; D551-H555 WeakPolarHBondContact O-CB 3.35Å; D551-H555 PolarHBondContact O-N 3.48Å
552	L	83.4	Confident	83.8	Confident	4 Å²	4	62 Å²	62	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-44.7	172.5	172.3	58.5	0	0	0	111.1	F537 C539 Y546 W548 R554 H555 F556 Y567	F537-L552 HydrophobicContact CB-CB 4.09Å; F537-L552 HydrophobicContact CB-CD2 3.87Å; C539-L552 HydrophobicContact CB-CD1 3.66Å; Y546-L552 HydrophobicContact CD2-CB 3.88Å; Y546-L552 HydrophobicContact CD2-CD1 3.85Å; Y546-L552 HydrophobicContact CD2-CG 4.47Å; Y546-L552 HydrophobicContact CE2-CD1 4.12Å; Y546-L552 HydrophobicContact CG-CB 4.22Å; W548-L552 PolarHBondContact O-N 3.29Å; L552-R554 PolarHBondContact O-N 3.48Å; L552-H555 PolarHBondContact O-N 3.39Å; L552-F556 WeakPolarHBondContact O-CB 3.45Å; L552-F556 PolarHBondContact O-N 3.23Å; L552-Y567 HydrophobicContact CD1-CD2 4.22Å; L552-Y567 HydrophobicContact CD1-CE2 3.84Å; L552-Y567 HydrophobicContact CD2-CD1 3.74Å; L552-Y567 HydrophobicContact CD2-CD2 4.22Å; L552-Y567 HydrophobicContact CD2-CE1 3.5Å; L552-Y567 HydrophobicContact CD2-CE2 4Å; L552-Y567 HydrophobicContact CD2-CG 4.08Å; L552-Y567 HydrophobicContact CG-CD1 4.15Å; L552-Y567 HydrophobicContact CG-CD2 3.79Å; L552-Y567 HydrophobicContact CG-CE1 4.16Å; L552-Y567 HydrophobicContact CG-CE2 3.8Å; L552-Y567 HydrophobicContact CG-CG 3.96Å
553	G	81.7	Confident	83.4	Confident	8 Å²	8	63.9 Å²	63.9	8%	0.082	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-43.7	175.2	0	0	0	0	0	112.9	S549 W550 D551 F556 T557 N565	S549-G553 PolarHBondContact O-N 3.3Å; W550-G553 PolarHBondContact O-N 3.01Å; D551-G553 VanDerWaalsContact C-N 3.32Å; D551-G553 PolarHBondContact O-N 3.39Å; G553-F556 PolarHBondContact O-N 3.37Å; G553-T557 PolarHBondContact O-N 2.93Å; G553-N565 PolarHBondContact O-ND2 3.28Å
554	R	85.5	Confident	83.3	Confident	151 Å²	151	64 Å²	64	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-63.9	-46.1	175	-178	176	63.7	-148.9	-11.4	111.6	W550 D551 L552 F556 T557 N558	W550-R554 WeakPolarHBondContact O-CB 3.41Å; W550-R554 PolarHBondContact O-N 3.42Å; D551-R554 PolarHBondContact O-N 3.42Å; D551-R554 IonicContact OD1-CZ 2.97Å; D551-R554 IonicContact OD1-NH2 3.14Å; D551-R554 PolarHBondContact OD1-NH2 3.22Å; L552-R554 PolarHBondContact O-N 3.48Å; R554-F556 VanDerWaalsContact C-N 3.32Å; R554-F556 PolarHBondContact O-N 3.4Å; R554-T557 PolarHBondContact O-N 2.96Å; R554-N558 PolarHBondContact O-N 2.94Å
555	H	89.7	Confident	82.9	Confident	17 Å²	17	62.6 Å²	62.6	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-55.8	-47.9	176.7	158.1	73.3	0	0	0	111.6	C539 C542 Y546 D551 L552 T557 N558 S559 H560	C539-H555 WeakPolarHBondContact CB-NE2 3.26Å; C539-H555 PolarHBondContact SG-NE2 2.75Å; C542-H555 PolarHBondContact SG-CE1 2.88Å; C542-H555 PolarHBondContact SG-NE2 2.84Å; Y546-H555 HydrophobicContact CE1-CB 3.93Å; Y546-H555 HydrophobicContact CE2-CB 3.64Å; Y546-H555 AromaticContact CE2-CD2 3.59Å; Y546-H555 AromaticContact CE2-CG 3.47Å; Y546-H555 VanDerWaalsContact CE2-CG 3.47Å; Y546-H555 AromaticContact CZ-CD2 3.96Å; Y546-H555 AromaticContact CZ-CG 3.34Å; Y546-H555 AromaticContact CZ-ND1 3.72Å; Y546-H555 VanDerWaalsContact OH-CB 3.27Å; Y546-H555 WeakPolarHBondContact OH-CB 3.33Å; Y546-H555 PolarHBondContact OH-ND1 2.98Å; D551-H555 WeakPolarHBondContact O-CB 3.35Å; D551-H555 PolarHBondContact O-N 3.48Å; L552-H555 PolarHBondContact O-N 3.39Å; H555-T557 VanDerWaalsContact C-N 3.35Å; H555-T557 PolarHBondContact O-N 2.76Å; H555-N558 PolarHBondContact O-N 3.01Å; H555-S559 VanDerWaalsContact CE1-CB 3.48Å; H555-S559 WeakPolarHBondContact CE1-CB 3.41Å; H555-S559 PolarHBondContact CE1-OG 2.88Å; H555-S559 VanDerWaalsContact CE1-OG 3.23Å; H555-S559 PolarHBondContact ND1-OG 2.77Å; H555-S559 VanDerWaalsContact O-CB 3.3Å; H555-S559 WeakPolarHBondContact O-CB 3.29Å; H555-S559 PolarHBondContact O-N 3.49Å; H555-S559 PolarHBondContact O-OG 3.13Å; H555-H560 AromaticContact CE1-NE2 3.92Å; H555-H560 AromaticContact NE2-CD2 3.87Å; H555-H560 AromaticContact NE2-NE2 3.46Å; H555-H560 PolarHBondContact NE2-NE2 3.26Å
556	F	83.5	Confident	82.4	Confident	6 Å²	6	64 Å²	64	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-42.8	-178.4	-165.7	-78.1	0	0	0	111.3	V541 L552 G553 R554 N558 H560 L563 P564 N565 P566 Y567	V541-F556 HydrophobicContact CG2-CE2 3.81Å; V541-F556 HydrophobicContact CG2-CZ 4.4Å; L552-F556 WeakPolarHBondContact O-CB 3.45Å; L552-F556 PolarHBondContact O-N 3.23Å; G553-F556 PolarHBondContact O-N 3.37Å; R554-F556 VanDerWaalsContact C-N 3.32Å; R554-F556 PolarHBondContact O-N 3.4Å; F556-N558 VanDerWaalsContact C-N 3.3Å; F556-N558 PolarHBondContact O-N 3.48Å; F556-H560 HydrophobicContact CD1-CB 4.22Å; F556-H560 HydrophobicContact CD2-CB 4.47Å; F556-H560 AromaticContact CD2-CD2 3.81Å; F556-H560 HydrophobicContact CE1-CB 4.14Å; F556-H560 HydrophobicContact CE2-CB 4.44Å; F556-H560 HydrophobicContact CG-CB 4.41Å; F556-H560 HydrophobicContact CZ-CB 4.3Å; F556-H560 CarbonylContact O-C 3.53Å; F556-H560 WeakPolarHBondContact O-CA 3.46Å; F556-H560 WeakPolarHBondContact O-CB 3.32Å; F556-H560 PolarHBondContact O-N 3.14Å; F556-L563 HydrophobicContact CE1-CB 3.73Å; F556-L563 WeakPolarHBondContact CE1-O 3.48Å; F556-L563 HydrophobicContact CZ-CB 3.69Å; F556-L563 HydrophobicContact CZ-CD1 4.3Å; F556-P564 VanDerWaalsContact CE1-O 3.32Å; F556-P564 WeakPolarHBondContact CE1-O 3.4Å; F556-N565 VanDerWaalsContact CD1-CA 3.43Å; F556-N565 HydrophobicContact CD1-CB 3.67Å; F556-N565 VanDerWaalsContact CE1-CA 3.45Å; F556-N565 HydrophobicContact CE1-CB 4.18Å; F556-P566 HydrophobicContact CE2-CG 4.25Å; F556-P566 VanDerWaalsContact CZ-CD 3.49Å; F556-P566 HydrophobicContact CZ-CG 4.29Å; F556-Y567 HydrophobicContact CB-CD2 3.84Å; F556-Y567 HydrophobicContact CB-CE2 4.14Å; F556-Y567 AromaticContact CD2-CD2 3.97Å; F556-Y567 HydrophobicContact CD2-CD2 3.97Å; F556-Y567 AromaticContact CD2-CE2 3.51Å; F556-Y567 HydrophobicContact CD2-CE2 3.51Å; F556-Y567 HydrophobicContact CE2-CE2 4.14Å; F556-Y567 AromaticContact CG-CD2 3.99Å; F556-Y567 HydrophobicContact CG-CD2 3.99Å; F556-Y567 HydrophobicContact CG-CE2 4.02Å
557	T	87	Confident	81.8	Confident	68 Å²	68	65.5 Å²	65.5	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-37.4	175.7	-73.2	0	0	0	0	112.8	G553 R554 H555 N565	G553-T557 PolarHBondContact O-N 2.93Å; R554-T557 PolarHBondContact O-N 2.96Å; H555-T557 VanDerWaalsContact C-N 3.35Å; H555-T557 PolarHBondContact O-N 2.76Å; T557-N565 PolarHBondContact OG1-ND2 3.21Å
558	N	90.2	Very high	81.5	Confident	116 Å²	116	71.6 Å²	71.6	62%	0.62	37%	0.37	S	S	*	.	H	α-helix	trans	-86.7	-38.5	-175.4	-67.2	1	0	0	0	113.3	R554 H555 F556	R554-N558 PolarHBondContact O-N 2.94Å; H555-N558 PolarHBondContact O-N 3.01Å; F556-N558 VanDerWaalsContact C-N 3.3Å; F556-N558 PolarHBondContact O-N 3.48Å
559	S	88	Confident	80.4	Confident	64 Å²	64	78.7 Å²	78.7	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-94.8	-20.3	-172.4	-40.2	0	0	0	0	112.3	H555	H555-S559 VanDerWaalsContact CE1-CB 3.48Å; H555-S559 WeakPolarHBondContact CE1-CB 3.41Å; H555-S559 PolarHBondContact CE1-OG 2.88Å; H555-S559 VanDerWaalsContact CE1-OG 3.23Å; H555-S559 PolarHBondContact ND1-OG 2.77Å; H555-S559 VanDerWaalsContact O-CB 3.3Å; H555-S559 WeakPolarHBondContact O-CB 3.29Å; H555-S559 PolarHBondContact O-N 3.49Å; H555-S559 PolarHBondContact O-OG 3.13Å
560	H	86	Confident	79.3	Confident	28 Å²	28	85 Å²	85	13%	0.13	42%	0.422	C	S	.	.			trans	-129	55.6	178.6	-52.3	-51.9	0	0	0	111.1	C539 V541 H555 F556 N562 L563	C539-H560 PolarHBondContact SG-NE2 3.45Å; V541-H560 WeakPolarHBondContact CG1-CE1 3.33Å; H555-H560 AromaticContact CE1-NE2 3.92Å; H555-H560 AromaticContact NE2-CD2 3.87Å; H555-H560 AromaticContact NE2-NE2 3.46Å; H555-H560 PolarHBondContact NE2-NE2 3.26Å; F556-H560 HydrophobicContact CD1-CB 4.22Å; F556-H560 HydrophobicContact CD2-CB 4.47Å; F556-H560 AromaticContact CD2-CD2 3.81Å; F556-H560 HydrophobicContact CE1-CB 4.14Å; F556-H560 HydrophobicContact CE2-CB 4.44Å; F556-H560 HydrophobicContact CG-CB 4.41Å; F556-H560 HydrophobicContact CZ-CB 4.3Å; F556-H560 CarbonylContact O-C 3.53Å; F556-H560 WeakPolarHBondContact O-CA 3.46Å; F556-H560 WeakPolarHBondContact O-CB 3.32Å; F556-H560 PolarHBondContact O-N 3.14Å; H560-N562 PolarHBondContact O-N 3.14Å; H560-L563 HydrophobicContact CB-CB 4.25Å; H560-L563 HydrophobicContact CB-CD1 4.19Å; H560-L563 HydrophobicContact CB-CG 4.5Å; H560-L563 PolarHBondContact O-N 3.2Å
561	P	84.7	Confident	77.5	Confident	94 Å²	94	90 Å²	90	61%	0.61	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.5	-175.3	27.2	-35.8	0	0	0	113.1	L563	P561-L563 PolarHBondContact O-N 2.86Å
562	N	83.8	Confident	75.3	Confident	159 Å²	159	94.9 Å²	94.9	85%	0.85	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.7	178.3	-62.6	-19.1	0	0	0	113.2	H560	H560-N562 PolarHBondContact O-N 3.14Å
563	L	77.1	Confident	73.2	Confident	84 Å²	84	99.9 Å²	99.9	44%	0.44	49%	0.492	S	S	.	.	S	Bend	trans	-109.6	139.2	179.9	-64.6	177.8	0	0	0	110.7	V541 F556 H560 P561 N565	V541-L563 HydrophobicContact CG1-CD1 4.34Å; V541-L563 HydrophobicContact CG2-CD1 3.7Å; F556-L563 HydrophobicContact CE1-CB 3.73Å; F556-L563 WeakPolarHBondContact CE1-O 3.48Å; F556-L563 HydrophobicContact CZ-CB 3.69Å; F556-L563 HydrophobicContact CZ-CD1 4.3Å; H560-L563 HydrophobicContact CB-CB 4.25Å; H560-L563 HydrophobicContact CB-CD1 4.19Å; H560-L563 HydrophobicContact CB-CG 4.5Å; H560-L563 PolarHBondContact O-N 3.2Å; P561-L563 PolarHBondContact O-N 2.86Å; L563-N565 PolarHBondContact O-N 3.13Å
564	P	79.2	Confident	71.2	Confident	117 Å²	117	108 Å²	108	76%	0.76	53%	0.526	S	S	*	.			trans	-60.8	123	172.6	-22	32.7	0	0	0	110.7	F556 P566	F556-P564 VanDerWaalsContact CE1-O 3.32Å; F556-P564 WeakPolarHBondContact CE1-O 3.4Å; P564-P566 WeakPolarHBondContact O-CD 3.21Å
565	N	75.2	Confident	69	Low	34 Å²	34	105.8 Å²	105.8	18%	0.182	53%	0.529	C	S	.	.			trans	-69.3	110.6	-178.2	-175.1	-14	0	0	0	112.3	G553 F556 T557 L563 Y567 K568	G553-N565 PolarHBondContact O-ND2 3.28Å; F556-N565 VanDerWaalsContact CD1-CA 3.43Å; F556-N565 HydrophobicContact CD1-CB 3.67Å; F556-N565 VanDerWaalsContact CE1-CA 3.45Å; F556-N565 HydrophobicContact CE1-CB 4.18Å; T557-N565 PolarHBondContact OG1-ND2 3.21Å; L563-N565 PolarHBondContact O-N 3.13Å; N565-Y567 VanDerWaalsContact C-N 3.29Å; N565-Y567 PolarHBondContact O-N 2.82Å; N565-Y567 WeakPolarHBondContact OD1-CA 3.49Å; N565-Y567 WeakPolarHBondContact OD1-CB 3.36Å; N565-Y567 PolarHBondContact OD1-N 2.83Å; N565-K568 HydrophobicContact CB-CB 4.34Å; N565-K568 PolarHBondContact OD1-N 3.16Å
566	P	70.2	Confident	66.7	Low	71 Å²	71	109.7 Å²	109.7	46%	0.461	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.6	-178.5	34	-34.7	0	0	0	112.7	F556 P564	F556-P566 HydrophobicContact CE2-CG 4.25Å; F556-P566 VanDerWaalsContact CZ-CD 3.49Å; F556-P566 HydrophobicContact CZ-CG 4.29Å; P564-P566 WeakPolarHBondContact O-CD 3.21Å
567	Y	70.5	Confident	64.6	Low	73 Å²	73	115 Å²	115	29%	0.286	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.7	-6.7	-174.8	-48.6	-69.1	0	0	0	113.4	I538 C540 L552 F556 N565 R569	I538-Y567 PolarHBondContact O-OH 3.19Å; C540-Y567 PolarHBondContact N-OH 3.42Å; C540-Y567 PolarHBondContact SG-OH 3.45Å; L552-Y567 HydrophobicContact CD1-CD2 4.22Å; L552-Y567 HydrophobicContact CD1-CE2 3.84Å; L552-Y567 HydrophobicContact CD2-CD1 3.74Å; L552-Y567 HydrophobicContact CD2-CD2 4.22Å; L552-Y567 HydrophobicContact CD2-CE1 3.5Å; L552-Y567 HydrophobicContact CD2-CE2 4Å; L552-Y567 HydrophobicContact CD2-CG 4.08Å; L552-Y567 HydrophobicContact CG-CD1 4.15Å; L552-Y567 HydrophobicContact CG-CD2 3.79Å; L552-Y567 HydrophobicContact CG-CE1 4.16Å; L552-Y567 HydrophobicContact CG-CE2 3.8Å; L552-Y567 HydrophobicContact CG-CG 3.96Å; F556-Y567 HydrophobicContact CB-CD2 3.84Å; F556-Y567 HydrophobicContact CB-CE2 4.14Å; F556-Y567 AromaticContact CD2-CD2 3.97Å; F556-Y567 HydrophobicContact CD2-CD2 3.97Å; F556-Y567 AromaticContact CD2-CE2 3.51Å; F556-Y567 HydrophobicContact CD2-CE2 3.51Å; F556-Y567 HydrophobicContact CE2-CE2 4.14Å; F556-Y567 AromaticContact CG-CD2 3.99Å; F556-Y567 HydrophobicContact CG-CD2 3.99Å; F556-Y567 HydrophobicContact CG-CE2 4.02Å; N565-Y567 VanDerWaalsContact C-N 3.29Å; N565-Y567 PolarHBondContact O-N 2.82Å; N565-Y567 WeakPolarHBondContact OD1-CA 3.49Å; N565-Y567 WeakPolarHBondContact OD1-CB 3.36Å; N565-Y567 PolarHBondContact OD1-N 2.83Å; Y567-R569 PolarHBondContact O-N 3.34Å
568	K	70.8	Confident	62.1	Low	159 Å²	159	117.7 Å²	117.7	69%	0.691	59%	0.589	S	S	*	*			trans	-72.5	115.6	-179.7	-167.8	174.9	-177.3	177.9	0	110.4	N565 Q570	N565-K568 HydrophobicContact CB-CB 4.34Å; N565-K568 PolarHBondContact OD1-N 3.16Å; K568-Q570 PolarHBondContact O-N 3.35Å
569	R	57.6	Low	59.7	Low	211 Å²	211	119.6 Å²	119.6	80%	0.796	60%	0.595	S	S	*	*			trans	-67.8	119	169.8	-68	-174.9	179.9	-176.5	0.7	109.4	Y567 R571	Y567-R569 PolarHBondContact O-N 3.34Å; R569-R571 PolarHBondContact O-N 3.39Å
570	Q	53.7	Low	57.3	Low	164 Å²	164	120.9 Å²	120.9	77%	0.766	60%	0.603	S	S	*	*			trans	-67.3	117.8	169.5	-71.4	-179.2	-12.7	0	0	109.1	K568 I572	K568-Q570 PolarHBondContact O-N 3.35Å; Q570-I572 PolarHBondContact O-N 3.43Å
571	R	44.5	Very low	54.9	Low	239 Å²	239	130.7 Å²	130.7	90%	0.902	64%	0.639	S	S	*	*			trans	-68.7	111	163.7	-85.1	-176.2	172.2	160.8	-1.9	106.9	R569 N573	R569-R571 PolarHBondContact O-N 3.39Å; R571-N573 PolarHBondContact O-N 3.4Å
572	I	38.8	Very low	52.5	Low	125 Å²	125	136.3 Å²	136.3	64%	0.641	66%	0.663	S	S	*	*			trans	-68	115.6	165.7	-60.6	171.4	0	0	0	105.8	Q570 K574	Q570-I572 PolarHBondContact O-N 3.43Å; I572-K574 PolarHBondContact O-N 2.99Å; I572-K574 VanDerWaalsContact O-N 3.14Å
573	N	38.7	Very low	51	Low	109 Å²	109	135.2 Å²	135.2	58%	0.583	65%	0.653	S	S	*	*			trans	-56.7	119.4	177.5	-77.5	-21.9	0	0	0	109.3	R571 T575 I576	R571-N573 PolarHBondContact O-N 3.4Å; N573-T575 PolarHBondContact O-N 2.98Å; N573-I576 PolarHBondContact O-N 3.33Å
574	K	39.8	Very low	49.6	Very low	179 Å²	179	137.8 Å²	137.8	78%	0.778	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-20.6	-178.7	-115	178.9	178.1	-179.5	0	113	I572 I576 L577	I572-K574 PolarHBondContact O-N 2.99Å; I572-K574 VanDerWaalsContact O-N 3.14Å; K574-I576 PolarHBondContact O-N 3Å; K574-L577 PolarHBondContact O-N 3.23Å
575	T	39.6	Very low	47.9	Very low	104 Å²	104	139 Å²	139	64%	0.638	66%	0.659	S	S	*	*	H	α-helix	trans	-57.7	-32.7	177.2	34.9	0	0	0	0	113.1	N573 L577 N578	N573-T575 PolarHBondContact O-N 2.98Å; T575-L577 VanDerWaalsContact C-N 3.25Å; T575-L577 PolarHBondContact O-N 3.43Å; T575-N578 PolarHBondContact O-N 3.35Å
576	I	41.3	Very low	46.3	Very low	100 Å²	100	145.2 Å²	145.2	51%	0.513	69%	0.688	S	S	.	*	H	α-helix	trans	-71.7	-20.3	-177.4	-55.6	174.5	0	0	0	112.3	N573 K574 S580	N573-I576 PolarHBondContact O-N 3.33Å; K574-I576 PolarHBondContact O-N 3Å; I576-S580 PolarHBondContact O-OG 2.9Å
577	L	39	Very low	44.9	Very low	118 Å²	118	149.8 Å²	149.8	62%	0.618	70%	0.702	S	S	*	*	H	α-helix	trans	-76.9	-21.4	178	-76.3	164	0	0	0	113.1	K574 T575	K574-L577 PolarHBondContact O-N 3.23Å; T575-L577 VanDerWaalsContact C-N 3.25Å; T575-L577 PolarHBondContact O-N 3.43Å
578	N	35.8	Very low	43.1	Very low	123 Å²	123	154.9 Å²	154.9	66%	0.658	73%	0.729	S	S	*	*	H	α-helix	trans	-79.9	-29.5	-179.8	-77.8	-1.2	0	0	0	112.8	T575 S580 R581	T575-N578 PolarHBondContact O-N 3.35Å; N578-S580 PolarHBondContact O-N 3.49Å; N578-R581 PolarHBondContact O-N 3.26Å
579	E	40	Very low	41.2	Very low	157 Å²	157	154.6 Å²	154.6	73%	0.734	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-11.1	174.7	-72	-175.7	169.8	0	0	113.3	R581	E579-R581 VanDerWaalsContact C-N 3.28Å
580	S	36.9	Very low	39.9	Very low	90 Å²	90	150.3 Å²	150.3	63%	0.629	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	1.4	175.4	-45	0	0	0	0	113.1	I576 N578	I576-S580 PolarHBondContact O-OG 2.9Å; N578-S580 PolarHBondContact O-N 3.49Å
581	R	36.3	Very low	38.8	Very low	234 Å²	234	149.2 Å²	149.2	88%	0.883	72%	0.724	S	S	*	*			trans	-111.3	-4	180	-103.4	-175.9	171.5	170.2	-3.7	113.9	N578 E579	N578-R581 PolarHBondContact O-N 3.26Å; E579-R581 VanDerWaalsContact C-N 3.28Å
582	L	34.2	Very low	38.2	Very low	212 Å²	212	141 Å²	141	100%	1.11	71%	0.708	S	S	*	*			trans	-96	0	162.5	-79	150.6	0	0	0	107.6

Retrieved 582 of 582 residues in 150.2 ms (Link to these results)

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