A0A5K4F0A6_SCHMA Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0A6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 291 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.9	Very low	50.2	Low	210 Å²	210	110.6 Å²	110.6	100%	1.034	57%	0.566	S	S	*	*				0	127.6	0	-146.1	167.9	178.1	0	0	107.5
2	N	45.4	Very low	50.1	Low	90 Å²	90	111.8 Å²	111.8	48%	0.481	56%	0.56	S	S	.	*			trans	-76.7	122.9	-172.4	-168	-24.3	0	0	0	110.3	K4 L5 L6	N2-K4 PolarHBondContact O-N 2.78Å; N2-K4 VanDerWaalsContact O-N 3.11Å; N2-K4 PolarHBondContact OD1-N 3.35Å; N2-L5 HydrophobicContact CB-CD1 3.98Å; N2-L5 HydrophobicContact CB-CG 4.26Å; N2-L5 WeakPolarHBondContact O-CB 3.45Å; N2-L5 PolarHBondContact O-N 2.99Å; N2-L6 PolarHBondContact O-N 3.39Å
3	P	50.9	Low	50.5	Low	101 Å²	101	118 Å²	118	66%	0.656	57%	0.572	S	S	*	*	H	α-helix	trans	-60	-24.9	-175	20.8	-32.1	0	0	0	113.7	L5 L6 N7	P3-L5 VanDerWaalsContact C-N 3.33Å; P3-L5 PolarHBondContact O-N 3.37Å; P3-L6 PolarHBondContact O-N 3.15Å; P3-N7 PolarHBondContact O-N 3.36Å
4	K	48.9	Very low	50.5	Low	164 Å²	164	119.9 Å²	119.9	71%	0.713	58%	0.576	S	S	*	*	H	α-helix	trans	-66.3	-32.2	173.4	-72.8	-177.3	177.8	178.4	0	113.3	N2 Q8	N2-K4 PolarHBondContact O-N 2.78Å; N2-K4 VanDerWaalsContact O-N 3.11Å; N2-K4 PolarHBondContact OD1-N 3.35Å; K4-Q8 WeakPolarHBondContact O-CG 3.41Å; K4-Q8 PolarHBondContact O-N 2.96Å
5	L	47.1	Very low	49.7	Very low	102 Å²	102	112.9 Å²	112.9	53%	0.534	55%	0.545	S	S	.	.	H	α-helix	trans	-76.4	-31.2	178.6	-71.6	171.2	0	0	0	111.9	N2 P3 Q8 M9	N2-L5 HydrophobicContact CB-CD1 3.98Å; N2-L5 HydrophobicContact CB-CG 4.26Å; N2-L5 WeakPolarHBondContact O-CB 3.45Å; N2-L5 PolarHBondContact O-N 2.99Å; P3-L5 VanDerWaalsContact C-N 3.33Å; P3-L5 PolarHBondContact O-N 3.37Å; L5-Q8 PolarHBondContact O-N 2.98Å; L5-M9 PolarHBondContact O-N 3.32Å
6	L	47.3	Very low	49	Very low	93 Å²	93	114.3 Å²	114.3	49%	0.487	55%	0.548	S	S	.	.	H	α-helix	trans	-66.7	-46.4	178.1	-164.5	69.6	0	0	0	111.2	N2 P3 Q8 M9 D10	N2-L6 PolarHBondContact O-N 3.39Å; P3-L6 PolarHBondContact O-N 3.15Å; L6-Q8 VanDerWaalsContact C-N 3.32Å; L6-Q8 PolarHBondContact O-N 3.35Å; L6-M9 PolarHBondContact O-N 3.48Å; L6-D10 PolarHBondContact O-N 3.04Å
7	N	55.8	Low	48.5	Very low	110 Å²	110	113.6 Å²	113.6	59%	0.588	56%	0.557	S	S	*	*	H	α-helix	trans	-62.3	-36	174.8	-89.8	-12.2	0	0	0	113.1	P3 L11	P3-N7 PolarHBondContact O-N 3.36Å; N7-L11 WeakPolarHBondContact O-CB 3.48Å; N7-L11 WeakPolarHBondContact O-CD1 3.4Å; N7-L11 WeakPolarHBondContact O-CG 3.48Å; N7-L11 PolarHBondContact O-N 3.5Å
8	Q	50.3	Low	47.9	Very low	91 Å²	91	111.2 Å²	111.2	43%	0.425	55%	0.546	S	S	.	.	H	α-helix	trans	-68.3	-39.6	176.1	-78.6	-177.6	-9.9	0	0	112.1	K4 L5 L6 Y12 M28	K4-Q8 WeakPolarHBondContact O-CG 3.41Å; K4-Q8 PolarHBondContact O-N 2.96Å; L5-Q8 PolarHBondContact O-N 2.98Å; L6-Q8 VanDerWaalsContact C-N 3.32Å; L6-Q8 PolarHBondContact O-N 3.35Å; Q8-Y12 VanDerWaalsContact O-CB 3.32Å; Q8-Y12 WeakPolarHBondContact O-CB 3.43Å; Q8-Y12 PolarHBondContact O-N 3.24Å; Q8-M28 HydrophobicContact CB-CE 4.39Å; Q8-M28 HydrophobicContact CG-CE 3.97Å
9	M	54.4	Low	47.2	Very low	132 Å²	132	107.4 Å²	107.4	65%	0.65	53%	0.529	S	S	*	.	H	α-helix	trans	-66.6	-38.5	175.4	-81.9	-165.6	158	0	0	112.4	L5 L6 Y12 R13	L5-M9 PolarHBondContact O-N 3.32Å; L6-M9 PolarHBondContact O-N 3.48Å; M9-Y12 PolarHBondContact O-N 3.28Å; M9-R13 VanDerWaalsContact O-CB 3.24Å; M9-R13 WeakPolarHBondContact O-CB 3.39Å; M9-R13 PolarHBondContact O-N 3.5Å
10	D	56	Low	46.6	Very low	73 Å²	73	104.1 Å²	104.1	39%	0.39	52%	0.523	S	S	.	.	H	α-helix	trans	-67.8	-41.1	177.1	-79.1	-20.7	0	0	0	112.4	L6 R13 K14	L6-D10 PolarHBondContact O-N 3.04Å; D10-R13 PolarHBondContact O-N 3.05Å; D10-K14 WeakPolarHBondContact O-CB 3.34Å; D10-K14 WeakPolarHBondContact O-CG 3.37Å; D10-K14 PolarHBondContact O-N 3.41Å
11	L	49.3	Very low	46.1	Very low	51 Å²	51	105.1 Å²	105.1	27%	0.267	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-44.3	173.2	-83.1	160.9	0	0	0	111.6	N7 S15 E35	N7-L11 WeakPolarHBondContact O-CB 3.48Å; N7-L11 WeakPolarHBondContact O-CD1 3.4Å; N7-L11 WeakPolarHBondContact O-CG 3.48Å; N7-L11 PolarHBondContact O-N 3.5Å; L11-S15 WeakPolarHBondContact O-CB 3.24Å; L11-S15 PolarHBondContact O-N 3.2Å; L11-S15 PolarHBondContact O-OG 3.24Å; L11-E35 HydrophobicContact CD2-CG 4.45Å
12	Y	49.2	Very low	45.6	Very low	125 Å²	125	101.5 Å²	101.5	49%	0.49	52%	0.522	S	S	.	.	H	α-helix	trans	-67.8	-35.1	178.1	-173.8	-98.2	0	0	0	112.9	Q8 M9 S15 K16	Q8-Y12 VanDerWaalsContact O-CB 3.32Å; Q8-Y12 WeakPolarHBondContact O-CB 3.43Å; Q8-Y12 PolarHBondContact O-N 3.24Å; M9-Y12 PolarHBondContact O-N 3.28Å; Y12-S15 WeakPolarHBondContact CA-OG 3.33Å; Y12-S15 PolarHBondContact O-OG 3.07Å; Y12-K16 HydrophobicContact CD1-CD 4.43Å; Y12-K16 HydrophobicContact CE1-CD 3.78Å; Y12-K16 HydrophobicContact CE1-CG 4.44Å; Y12-K16 WeakPolarHBondContact O-CB 3.26Å; Y12-K16 PolarHBondContact O-N 3.36Å; Y12-K16 VanDerWaalsContact O-N 3.11Å; Y12-K16 VanDerWaalsContact OH-CE 3.22Å; Y12-K16 WeakPolarHBondContact OH-CE 3.31Å; Y12-K16 PolarHBondContact OH-NZ 3.4Å
13	R	54.4	Low	45.2	Very low	192 Å²	192	100.8 Å²	100.8	73%	0.725	52%	0.516	S	S	*	.	H	α-helix	trans	-73.2	-39.9	177.2	-168.6	-175.6	-90.9	-165.6	-5.2	111.5	M9 D10 S17	M9-R13 VanDerWaalsContact O-CB 3.24Å; M9-R13 WeakPolarHBondContact O-CB 3.39Å; M9-R13 PolarHBondContact O-N 3.5Å; D10-R13 PolarHBondContact O-N 3.05Å; R13-S17 PolarHBondContact O-N 3.46Å
14	K	51	Low	44.5	Very low	144 Å²	144	101.8 Å²	101.8	63%	0.626	52%	0.52	S	S	*	.	H	α-helix	trans	-66.8	-36.2	174.1	-77.3	175.8	178.5	177.5	0	112.3	D10 S17 I18	D10-K14 WeakPolarHBondContact O-CB 3.34Å; D10-K14 WeakPolarHBondContact O-CG 3.37Å; D10-K14 PolarHBondContact O-N 3.41Å; K14-S17 PolarHBondContact O-OG 3.08Å; K14-I18 VanDerWaalsContact O-CD1 3.26Å; K14-I18 WeakPolarHBondContact O-CD1 3.49Å; K14-I18 VanDerWaalsContact O-CG1 3.31Å; K14-I18 WeakPolarHBondContact O-CG1 3.35Å
15	S	39	Very low	44	Very low	15 Å²	15	102.8 Å²	102.8	11%	0.105	53%	0.527	C	S	.	.	H	α-helix	trans	-71.4	-42.8	177.3	66.6	0	0	0	0	111.9	L11 Y12 S17 I18 L19	L11-S15 WeakPolarHBondContact O-CB 3.24Å; L11-S15 PolarHBondContact O-N 3.2Å; L11-S15 PolarHBondContact O-OG 3.24Å; Y12-S15 WeakPolarHBondContact CA-OG 3.33Å; Y12-S15 PolarHBondContact O-OG 3.07Å; S15-S17 PolarHBondContact O-N 3.42Å; S15-I18 PolarHBondContact O-N 3.26Å; S15-L19 WeakPolarHBondContact O-CB 3.39Å; S15-L19 VanDerWaalsContact O-CD1 3.27Å; S15-L19 WeakPolarHBondContact O-CD1 3.27Å; S15-L19 VanDerWaalsContact O-CG 3.29Å; S15-L19 WeakPolarHBondContact O-CG 3.45Å; S15-L19 PolarHBondContact O-N 3.26Å; S15-L19 VanDerWaalsContact O-N 3.12Å
16	K	38.6	Very low	43.8	Very low	136 Å²	136	101.4 Å²	101.4	59%	0.591	52%	0.52	S	S	*	.	H	α-helix	trans	-59.4	-25.9	175.8	-98.5	-172.1	172.1	-179.8	0	114.8	Y12 I18	Y12-K16 HydrophobicContact CD1-CD 4.43Å; Y12-K16 HydrophobicContact CE1-CD 3.78Å; Y12-K16 HydrophobicContact CE1-CG 4.44Å; Y12-K16 WeakPolarHBondContact O-CB 3.26Å; Y12-K16 PolarHBondContact O-N 3.36Å; Y12-K16 VanDerWaalsContact O-N 3.11Å; Y12-K16 VanDerWaalsContact OH-CE 3.22Å; Y12-K16 WeakPolarHBondContact OH-CE 3.31Å; Y12-K16 PolarHBondContact OH-NZ 3.4Å; K16-I18 VanDerWaalsContact C-N 3.33Å
17	S	40.2	Very low	44.1	Very low	102 Å²	102	101.7 Å²	101.7	71%	0.713	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.6	177.9	78.5	0	0	0	0	113.7	R13 K14 S15	R13-S17 PolarHBondContact O-N 3.46Å; K14-S17 PolarHBondContact O-OG 3.08Å; S15-S17 PolarHBondContact O-N 3.42Å
18	I	37.8	Very low	44	Very low	70 Å²	70	99.5 Å²	99.5	36%	0.359	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-22.4	-174.5	-61.1	170.3	0	0	0	111	K14 S15 K16 R281 L285	K14-I18 VanDerWaalsContact O-CD1 3.26Å; K14-I18 WeakPolarHBondContact O-CD1 3.49Å; K14-I18 VanDerWaalsContact O-CG1 3.31Å; K14-I18 WeakPolarHBondContact O-CG1 3.35Å; S15-I18 PolarHBondContact O-N 3.26Å; K16-I18 VanDerWaalsContact C-N 3.33Å; I18-R281 PolarHBondContact O-NH2 3.38Å; I18-L285 HydrophobicContact CG2-CD1 4.38Å
19	L	34.2	Very low	44.1	Very low	40 Å²	40	102.7 Å²	102.7	21%	0.209	53%	0.525	C	S	.	.	S	Bend	trans	-100.3	127.8	-172	-65.4	158.9	0	0	0	111.2	S15 E23 L26	S15-L19 WeakPolarHBondContact O-CB 3.39Å; S15-L19 VanDerWaalsContact O-CD1 3.27Å; S15-L19 WeakPolarHBondContact O-CD1 3.27Å; S15-L19 VanDerWaalsContact O-CG 3.29Å; S15-L19 WeakPolarHBondContact O-CG 3.45Å; S15-L19 PolarHBondContact O-N 3.26Å; S15-L19 VanDerWaalsContact O-N 3.12Å; L19-E23 WeakPolarHBondContact CA-OE2 3.39Å; L19-E23 HydrophobicContact CB-CB 4.19Å; L19-E23 WeakPolarHBondContact CB-OE2 3.41Å; L19-E23 HydrophobicContact CD2-CB 3.95Å; L19-E23 HydrophobicContact CD2-CG 4.05Å; L19-E23 WeakPolarHBondContact CD2-OE1 3.4Å; L19-E23 WeakPolarHBondContact CD2-OE2 3.45Å; L19-L26 HydrophobicContact CD1-CD1 3.48Å; L19-L26 VanDerWaalsContact CD1-CD1 3.48Å; L19-L26 HydrophobicContact CD2-CD1 3.4Å; L19-L26 HydrophobicContact CG-CD1 4.14Å
20	G	36.2	Very low	43.7	Very low	40 Å²	40	98 Å²	98	41%	0.412	51%	0.505	S	S	.	.			trans	-71.7	171	177.6	0	0	0	0	0	112.1	N22 E23	G20-N22 PolarHBondContact O-N 3.48Å; G20-E23 PolarHBondContact N-OE2 3.18Å; G20-E23 PolarHBondContact O-N 3.14Å
21	P	36	Very low	43.2	Very low	127 Å²	127	95.1 Å²	95.1	83%	0.825	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-7.5	-174.9	22.1	-32.5	0	0	0	115.6
22	N	35.5	Very low	43.1	Very low	134 Å²	134	97.6 Å²	97.6	72%	0.717	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	0.8	-174.7	-69	-10.8	0	0	0	114.8	G20 T24	G20-N22 PolarHBondContact O-N 3.48Å; N22-T24 PolarHBondContact O-N 3.23Å
23	E	38.1	Very low	43.2	Very low	74 Å²	74	96.3 Å²	96.3	35%	0.346	50%	0.501	S	S	.	.			trans	-99.1	58.9	-177.9	-72.4	164	135.3	0	0	111.5	L19 G20 Q25 L26 R281	L19-E23 WeakPolarHBondContact CA-OE2 3.39Å; L19-E23 HydrophobicContact CB-CB 4.19Å; L19-E23 WeakPolarHBondContact CB-OE2 3.41Å; L19-E23 HydrophobicContact CD2-CB 3.95Å; L19-E23 HydrophobicContact CD2-CG 4.05Å; L19-E23 WeakPolarHBondContact CD2-OE1 3.4Å; L19-E23 WeakPolarHBondContact CD2-OE2 3.45Å; G20-E23 PolarHBondContact N-OE2 3.18Å; G20-E23 PolarHBondContact O-N 3.14Å; E23-Q25 VanDerWaalsContact C-N 3.35Å; E23-Q25 PolarHBondContact O-N 3Å; E23-L26 HydrophobicContact CB-CD1 4.35Å; E23-R281 IonicContact OE1-NH1 3.79Å; E23-R281 PolarHBondContact OE1-NH1 3.26Å; E23-R281 IonicContact OE1-NH2 3.77Å; E23-R281 IonicContact OE2-NH2 3.24Å
24	T	34.6	Very low	42.7	Very low	123 Å²	123	90.1 Å²	90.1	76%	0.755	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	7.1	-172.4	37.2	0	0	0	0	116.1	N22	N22-T24 PolarHBondContact O-N 3.23Å
25	Q	40	Very low	42.5	Very low	184 Å²	184	86.4 Å²	86.4	86%	0.86	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	37.8	-176.5	-64	-168.7	24.6	0	0	115.2	E23 T27	E23-Q25 VanDerWaalsContact C-N 3.35Å; E23-Q25 PolarHBondContact O-N 3Å; Q25-T27 PolarHBondContact O-N 3.43Å
26	L	42.2	Very low	43.1	Very low	74 Å²	74	90.3 Å²	90.3	39%	0.387	49%	0.488	S	S	.	.			trans	-86.3	112	171	-72.9	163.3	0	0	0	110.5	L19 E23 S30	L19-L26 HydrophobicContact CD1-CD1 3.48Å; L19-L26 VanDerWaalsContact CD1-CD1 3.48Å; L19-L26 HydrophobicContact CD2-CD1 3.4Å; L19-L26 HydrophobicContact CG-CD1 4.14Å; E23-L26 HydrophobicContact CB-CD1 4.35Å; L26-S30 WeakPolarHBondContact CA-OG 3.43Å; L26-S30 VanDerWaalsContact CD2-OG 3.25Å; L26-S30 WeakPolarHBondContact CD2-OG 3.45Å
27	T	54.3	Low	43.5	Very low	98 Å²	98	89.9 Å²	89.9	60%	0.601	49%	0.488	S	S	*	.			trans	-72.8	152.7	174.8	-11.1	0	0	0	0	109.8	Q25 K29 S30 L31	Q25-T27 PolarHBondContact O-N 3.43Å; T27-K29 PolarHBondContact O-N 3.5Å; T27-S30 PolarHBondContact N-OG 2.97Å; T27-S30 VanDerWaalsContact N-OG 3.08Å; T27-S30 PolarHBondContact O-N 3.36Å; T27-S30 PolarHBondContact O-OG 3.16Å; T27-L31 PolarHBondContact O-N 2.8Å
28	M	52.1	Low	43.8	Very low	65 Å²	65	89.7 Å²	89.7	32%	0.32	47%	0.472	S	S	.	.	H	α-helix	trans	-52.3	-30.4	173.2	-77.3	-60.7	-58.6	0	0	113.2	Q8 L31 Q32	Q8-M28 HydrophobicContact CB-CE 4.39Å; Q8-M28 HydrophobicContact CG-CE 3.97Å; M28-L31 HydrophobicContact SD-CD1 4.27Å; M28-Q32 WeakPolarHBondContact O-CG 3.45Å; M28-Q32 PolarHBondContact O-N 3.33Å; M28-Q32 VanDerWaalsContact O-N 3.09Å
29	K	53.6	Low	44.2	Very low	157 Å²	157	91.2 Å²	91.2	68%	0.683	48%	0.478	S	S	*	.	H	α-helix	trans	-63	-43.2	172.3	-71.4	-174.4	176.9	-178.2	0	112.6	T27 Q32 I33	T27-K29 PolarHBondContact O-N 3.5Å; K29-Q32 PolarHBondContact O-N 3.5Å; K29-I33 WeakPolarHBondContact O-CB 3.29Å; K29-I33 WeakPolarHBondContact O-CD1 3.3Å; K29-I33 WeakPolarHBondContact O-CG1 3.46Å; K29-I33 PolarHBondContact O-N 2.98Å
30	S	44.5	Very low	44.7	Very low	33 Å²	33	95.5 Å²	95.5	23%	0.231	50%	0.496	C	S	.	.	H	α-helix	trans	-67.8	-38.4	-179.9	62.2	0	0	0	0	111.6	L26 T27 I33 E34	L26-S30 WeakPolarHBondContact CA-OG 3.43Å; L26-S30 VanDerWaalsContact CD2-OG 3.25Å; L26-S30 WeakPolarHBondContact CD2-OG 3.45Å; T27-S30 PolarHBondContact N-OG 2.97Å; T27-S30 VanDerWaalsContact N-OG 3.08Å; T27-S30 PolarHBondContact O-N 3.36Å; T27-S30 PolarHBondContact O-OG 3.16Å; S30-I33 PolarHBondContact O-N 3.03Å; S30-E34 WeakPolarHBondContact O-CB 3.38Å; S30-E34 PolarHBondContact O-N 3.38Å
31	L	46.1	Very low	45	Very low	14 Å²	14	97.6 Å²	97.6	7%	0.073	49%	0.494	C	S	.	.	H	α-helix	trans	-63.8	-40.6	174.1	-67.9	173.5	0	0	0	112.6	T27 M28 E34 E35	T27-L31 PolarHBondContact O-N 2.8Å; M28-L31 HydrophobicContact SD-CD1 4.27Å; L31-E34 PolarHBondContact O-N 2.8Å; L31-E35 WeakPolarHBondContact O-CB 3.43Å; L31-E35 PolarHBondContact O-N 3.33Å
32	Q	47.3	Very low	45.4	Very low	103 Å²	103	94.8 Å²	94.8	48%	0.481	47%	0.472	S	S	.	.	H	α-helix	trans	-67.6	-38.3	175.5	-76	178.1	-25.3	0	0	112.5	M28 K29 T36	M28-Q32 WeakPolarHBondContact O-CG 3.45Å; M28-Q32 PolarHBondContact O-N 3.33Å; M28-Q32 VanDerWaalsContact O-N 3.09Å; K29-Q32 PolarHBondContact O-N 3.5Å; Q32-T36 WeakPolarHBondContact O-CB 3.37Å; Q32-T36 PolarHBondContact O-N 3.49Å; Q32-T36 PolarHBondContact O-OG1 3.41Å
33	I	50.6	Low	45.7	Very low	98 Å²	98	96.5 Å²	96.5	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-63.4	-46.6	174.8	-70.8	163.2	0	0	0	110	K29 S30 T36 Q37	K29-I33 WeakPolarHBondContact O-CB 3.29Å; K29-I33 WeakPolarHBondContact O-CD1 3.3Å; K29-I33 WeakPolarHBondContact O-CG1 3.46Å; K29-I33 PolarHBondContact O-N 2.98Å; S30-I33 PolarHBondContact O-N 3.03Å; I33-T36 PolarHBondContact O-N 3.01Å; I33-Q37 HydrophobicContact CG2-CG 4.48Å; I33-Q37 WeakPolarHBondContact O-CG 3.25Å; I33-Q37 PolarHBondContact O-N 3.32Å
34	E	45.8	Very low	45.7	Very low	62 Å²	62	94.4 Å²	94.4	29%	0.29	46%	0.46	S	S	.	.	H	α-helix	trans	-61.5	-47	178.4	-169.5	-167.4	165.1	0	0	111.8	S30 L31 T36 Q37 R38 Y278	S30-E34 WeakPolarHBondContact O-CB 3.38Å; S30-E34 PolarHBondContact O-N 3.38Å; L31-E34 PolarHBondContact O-N 2.8Å; E34-T36 VanDerWaalsContact C-N 3.31Å; E34-T36 PolarHBondContact O-N 3.4Å; E34-Q37 PolarHBondContact O-N 3.39Å; E34-R38 WeakPolarHBondContact O-CB 3.33Å; E34-R38 PolarHBondContact O-N 3.05Å; E34-Y278 HydrophobicContact CG-CE2 4.14Å; E34-Y278 WeakPolarHBondContact OE1-CE2 3.34Å
35	E	46.9	Very low	45.8	Very low	66 Å²	66	91.3 Å²	91.3	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-39.7	176.8	-175.1	60	-152.2	0	0	111.2	L11 L31 R38 Q39	L11-E35 HydrophobicContact CD2-CG 4.45Å; L31-E35 WeakPolarHBondContact O-CB 3.43Å; L31-E35 PolarHBondContact O-N 3.33Å; E35-R38 WeakPolarHBondContact O-CB 3.38Å; E35-R38 PolarHBondContact O-N 3.04Å; E35-Q39 VanDerWaalsContact O-CG 3.29Å; E35-Q39 WeakPolarHBondContact O-CG 3.18Å; E35-Q39 PolarHBondContact O-N 3.2Å; E35-Q39 PolarHBondContact OE1-NE2 3.34Å
36	T	51.4	Low	45.5	Very low	96 Å²	96	86.4 Å²	86.4	59%	0.589	42%	0.419	S	S	*	.	H	α-helix	trans	-64	-42.8	175.7	-56.2	0	0	0	0	111.5	Q32 I33 E34 R38 Q39 H40	Q32-T36 WeakPolarHBondContact O-CB 3.37Å; Q32-T36 PolarHBondContact O-N 3.49Å; Q32-T36 PolarHBondContact O-OG1 3.41Å; I33-T36 PolarHBondContact O-N 3.01Å; E34-T36 VanDerWaalsContact C-N 3.31Å; E34-T36 PolarHBondContact O-N 3.4Å; T36-R38 VanDerWaalsContact C-N 3.35Å; T36-Q39 PolarHBondContact O-N 3.16Å; T36-H40 WeakPolarHBondContact O-CB 3.39Å; T36-H40 PolarHBondContact O-N 2.96Å
37	Q	47	Very low	45.1	Very low	127 Å²	127	88.4 Å²	88.4	59%	0.593	43%	0.426	S	S	*	.	H	α-helix	trans	-63.4	-40.7	175.1	-74.1	176.7	-3.4	0	0	111.5	I33 E34 H40 F41	I33-Q37 HydrophobicContact CG2-CG 4.48Å; I33-Q37 WeakPolarHBondContact O-CG 3.25Å; I33-Q37 PolarHBondContact O-N 3.32Å; E34-Q37 PolarHBondContact O-N 3.39Å; Q37-H40 PolarHBondContact O-N 3.39Å; Q37-F41 VanDerWaalsContact O-CB 3.25Å; Q37-F41 WeakPolarHBondContact O-CB 3.42Å; Q37-F41 PolarHBondContact O-N 2.78Å
38	R	45.6	Very low	44	Very low	98 Å²	98	90.5 Å²	90.5	37%	0.37	42%	0.423	S	S	.	.	H	α-helix	trans	-60.5	-49.2	174.7	-177.1	-174	170.9	149.7	0.2	111.4	E34 E35 T36 F41 L42 Y278	E34-R38 WeakPolarHBondContact O-CB 3.33Å; E34-R38 PolarHBondContact O-N 3.05Å; E35-R38 WeakPolarHBondContact O-CB 3.38Å; E35-R38 PolarHBondContact O-N 3.04Å; T36-R38 VanDerWaalsContact C-N 3.35Å; R38-F41 PolarHBondContact O-N 3.31Å; R38-L42 HydrophobicContact CG-CD1 4.03Å; R38-L42 WeakPolarHBondContact O-CB 3.46Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.36Å; R38-L42 PolarHBondContact O-N 3.41Å; R38-Y278 HydrophobicContact CB-CE1 4.4Å; R38-Y278 WeakPolarHBondContact CB-OH 3.4Å; R38-Y278 WeakPolarHBondContact CD-OH 3.31Å; R38-Y278 HydrophobicContact CG-CE1 4.45Å; R38-Y278 WeakPolarHBondContact CG-OH 3.39Å
39	Q	46.2	Very low	43.1	Very low	103 Å²	103	93.8 Å²	93.8	48%	0.481	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-40.8	178.4	-66.7	-60.3	-24.2	0	0	111.6	E35 T36 R43	E35-Q39 VanDerWaalsContact O-CG 3.29Å; E35-Q39 WeakPolarHBondContact O-CG 3.18Å; E35-Q39 PolarHBondContact O-N 3.2Å; E35-Q39 PolarHBondContact OE1-NE2 3.34Å; T36-Q39 PolarHBondContact O-N 3.16Å; Q39-R43 VanDerWaalsContact O-CB 3.26Å; Q39-R43 WeakPolarHBondContact O-CB 3.44Å; Q39-R43 PolarHBondContact O-N 3.27Å
40	H	45.7	Very low	42.1	Very low	129 Å²	129	94.6 Å²	94.6	60%	0.597	44%	0.441	S	S	*	.	H	α-helix	trans	-62.6	-43.6	174.5	-176.9	-87.6	0	0	0	111.9	T36 Q37 R43 T44	T36-H40 WeakPolarHBondContact O-CB 3.39Å; T36-H40 PolarHBondContact O-N 2.96Å; Q37-H40 PolarHBondContact O-N 3.39Å; H40-R43 PolarHBondContact O-N 2.74Å; H40-T44 WeakPolarHBondContact O-CB 3.28Å; H40-T44 PolarHBondContact O-N 3.15Å; H40-T44 PolarHBondContact O-OG1 2.74Å
41	F	42.2	Very low	41.4	Very low	85 Å²	85	99.8 Å²	99.8	37%	0.373	46%	0.462	S	S	.	.	H	α-helix	trans	-66.9	-45	178.2	-176.2	-110.4	0	0	0	112	Q37 R38 R43 T44 I45 A279	Q37-F41 VanDerWaalsContact O-CB 3.25Å; Q37-F41 WeakPolarHBondContact O-CB 3.42Å; Q37-F41 PolarHBondContact O-N 2.78Å; R38-F41 PolarHBondContact O-N 3.31Å; F41-R43 VanDerWaalsContact C-N 3.3Å; F41-R43 PolarHBondContact O-N 2.98Å; F41-T44 WeakPolarHBondContact O-CB 3.5Å; F41-T44 PolarHBondContact O-N 2.82Å; F41-T44 VanDerWaalsContact O-N 3.15Å; F41-I45 HydrophobicContact CD1-CD1 3.59Å; F41-I45 HydrophobicContact CD1-CG1 4.45Å; F41-I45 HydrophobicContact CE1-CD1 3.18Å; F41-I45 HydrophobicContact CE1-CG1 4.21Å; F41-I45 HydrophobicContact CE2-CD1 4.2Å; F41-I45 HydrophobicContact CE2-CG1 4.44Å; F41-I45 HydrophobicContact CG-CD1 4.28Å; F41-I45 HydrophobicContact CZ-CD1 3.52Å; F41-I45 HydrophobicContact CZ-CG1 4.2Å; F41-I45 WeakPolarHBondContact O-CG1 3.47Å; F41-I45 PolarHBondContact O-N 2.8Å; F41-A279 HydrophobicContact CZ-CB 4.35Å
42	L	43.9	Very low	40.7	Very low	67 Å²	67	105.1 Å²	105.1	35%	0.351	50%	0.5	S	S	.	.	H	α-helix	trans	-59.1	-42.1	173.2	-74.9	170.2	0	0	0	111.3	R38 I45 N46	R38-L42 HydrophobicContact CG-CD1 4.03Å; R38-L42 WeakPolarHBondContact O-CB 3.46Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.36Å; R38-L42 PolarHBondContact O-N 3.41Å; L42-I45 PolarHBondContact O-N 3.46Å; L42-N46 VanDerWaalsContact O-CB 3.27Å; L42-N46 WeakPolarHBondContact O-CB 3.46Å; L42-N46 PolarHBondContact O-N 3.24Å; L42-N46 PolarHBondContact O-ND2 3.39Å; L42-N46 VanDerWaalsContact O-ND2 3.1Å
43	R	40.7	Very low	39.9	Very low	171 Å²	171	109.8 Å²	109.8	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-63.9	-42.8	174.3	-165.7	-179.9	-164.2	-178	3.8	111.6	Q39 H40 F41 N46 Q47	Q39-R43 VanDerWaalsContact O-CB 3.26Å; Q39-R43 WeakPolarHBondContact O-CB 3.44Å; Q39-R43 PolarHBondContact O-N 3.27Å; H40-R43 PolarHBondContact O-N 2.74Å; F41-R43 VanDerWaalsContact C-N 3.3Å; F41-R43 PolarHBondContact O-N 2.98Å; R43-N46 CarbonylContact O-C 3.58Å; R43-N46 PolarHBondContact O-N 2.88Å; R43-Q47 HydrophobicContact CG-CG 4.46Å; R43-Q47 WeakPolarHBondContact O-CB 3.36Å; R43-Q47 VanDerWaalsContact O-CG 3.24Å; R43-Q47 WeakPolarHBondContact O-CG 3.43Å; R43-Q47 PolarHBondContact O-N 3.47Å
44	T	38.3	Very low	39.1	Very low	29 Å²	29	109.1 Å²	109.1	18%	0.178	52%	0.517	C	S	.	.	H	α-helix	trans	-64.3	-43.3	177.8	-56.3	0	0	0	0	111.4	H40 F41 Q47 R48	H40-T44 WeakPolarHBondContact O-CB 3.28Å; H40-T44 PolarHBondContact O-N 3.15Å; H40-T44 PolarHBondContact O-OG1 2.74Å; F41-T44 WeakPolarHBondContact O-CB 3.5Å; F41-T44 PolarHBondContact O-N 2.82Å; F41-T44 VanDerWaalsContact O-N 3.15Å; T44-Q47 PolarHBondContact O-N 3.06Å; T44-R48 WeakPolarHBondContact O-CB 3.44Å; T44-R48 VanDerWaalsContact O-CG 3.31Å; T44-R48 WeakPolarHBondContact O-CG 3.48Å; T44-R48 PolarHBondContact O-N 3.49Å
45	I	37.1	Very low	38.6	Very low	58 Å²	58	109.8 Å²	109.8	30%	0.297	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-46.5	173.4	-72	171.9	0	0	0	110.1	F41 L42 Q47 R48 K49	F41-I45 HydrophobicContact CD1-CD1 3.59Å; F41-I45 HydrophobicContact CD1-CG1 4.45Å; F41-I45 HydrophobicContact CE1-CD1 3.18Å; F41-I45 HydrophobicContact CE1-CG1 4.21Å; F41-I45 HydrophobicContact CE2-CD1 4.2Å; F41-I45 HydrophobicContact CE2-CG1 4.44Å; F41-I45 HydrophobicContact CG-CD1 4.28Å; F41-I45 HydrophobicContact CZ-CD1 3.52Å; F41-I45 HydrophobicContact CZ-CG1 4.2Å; F41-I45 WeakPolarHBondContact O-CG1 3.47Å; F41-I45 PolarHBondContact O-N 2.8Å; L42-I45 PolarHBondContact O-N 3.46Å; I45-Q47 VanDerWaalsContact C-N 3.33Å; I45-Q47 PolarHBondContact O-N 3.45Å; I45-R48 PolarHBondContact O-N 2.98Å; I45-K49 WeakPolarHBondContact O-CG 3.42Å; I45-K49 PolarHBondContact O-N 2.94Å
46	N	34.2	Very low	38.2	Very low	82 Å²	82	111.8 Å²	111.8	44%	0.439	53%	0.534	S	S	.	.	H	α-helix	trans	-69.6	-29	-179	-72.3	-31	0	0	0	113	L42 R43 K49	L42-N46 VanDerWaalsContact O-CB 3.27Å; L42-N46 WeakPolarHBondContact O-CB 3.46Å; L42-N46 PolarHBondContact O-N 3.24Å; L42-N46 PolarHBondContact O-ND2 3.39Å; L42-N46 VanDerWaalsContact O-ND2 3.1Å; R43-N46 CarbonylContact O-C 3.58Å; R43-N46 PolarHBondContact O-N 2.88Å; N46-K49 PolarHBondContact OD1-NZ 2.94Å
47	Q	33.7	Very low	37.3	Very low	115 Å²	115	112.6 Å²	112.6	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-74.1	-40.8	171.6	-75.9	172.3	-13.3	0	0	111.7	R43 T44 I45 K49 H50	R43-Q47 HydrophobicContact CG-CG 4.46Å; R43-Q47 WeakPolarHBondContact O-CB 3.36Å; R43-Q47 VanDerWaalsContact O-CG 3.24Å; R43-Q47 WeakPolarHBondContact O-CG 3.43Å; R43-Q47 PolarHBondContact O-N 3.47Å; T44-Q47 PolarHBondContact O-N 3.06Å; I45-Q47 VanDerWaalsContact C-N 3.33Å; I45-Q47 PolarHBondContact O-N 3.45Å; Q47-K49 VanDerWaalsContact C-N 3.27Å; Q47-K49 PolarHBondContact O-N 3.02Å; Q47-H50 PolarHBondContact O-N 3.32Å
48	R	32	Very low	36.9	Very low	143 Å²	143	112.3 Å²	112.3	54%	0.54	53%	0.528	S	S	.	.	H	α-helix	trans	-72.6	-15.5	176.5	-70.5	-177.6	-173.1	-176.6	2.8	113.6	T44 I45 H50 Q51 I55	T44-R48 WeakPolarHBondContact O-CB 3.44Å; T44-R48 VanDerWaalsContact O-CG 3.31Å; T44-R48 WeakPolarHBondContact O-CG 3.48Å; T44-R48 PolarHBondContact O-N 3.49Å; I45-R48 PolarHBondContact O-N 2.98Å; R48-H50 PolarHBondContact O-N 2.92Å; R48-H50 VanDerWaalsContact O-N 3.16Å; R48-Q51 PolarHBondContact O-N 3.29Å; R48-Q51 VanDerWaalsContact O-O 3.08Å; R48-I55 HydrophobicContact CB-CD1 4.21Å
49	K	33.3	Very low	36.7	Very low	133 Å²	133	110.6 Å²	110.6	58%	0.578	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.7	169.6	-85.3	178.4	-177.7	164.1	0	113.6	I45 N46 Q47 Q51	I45-K49 WeakPolarHBondContact O-CG 3.42Å; I45-K49 PolarHBondContact O-N 2.94Å; N46-K49 PolarHBondContact OD1-NZ 2.94Å; Q47-K49 VanDerWaalsContact C-N 3.27Å; Q47-K49 PolarHBondContact O-N 3.02Å; K49-Q51 VanDerWaalsContact C-N 3.33Å
50	H	31.6	Very low	36.5	Very low	175 Å²	175	109.4 Å²	109.4	81%	0.81	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.7	174	-75.5	-75.7	0	0	0	113.9	Q47 R48	Q47-H50 PolarHBondContact O-N 3.32Å; R48-H50 PolarHBondContact O-N 2.92Å; R48-H50 VanDerWaalsContact O-N 3.16Å
51	Q	30.5	Very low	36.5	Very low	141 Å²	141	107.7 Å²	107.7	66%	0.659	51%	0.511	S	S	*	.	S	Bend	trans	-106	125.8	174	-69.3	177.4	-12.5	0	0	108.4	R48 K49 Y53	R48-Q51 PolarHBondContact O-N 3.29Å; R48-Q51 VanDerWaalsContact O-O 3.08Å; K49-Q51 VanDerWaalsContact C-N 3.33Å; Q51-Y53 PolarHBondContact O-N 2.93Å
52	S	31.6	Very low	36.6	Very low	126 Å²	126	107.4 Å²	107.4	88%	0.881	51%	0.513	S	S	*	.	S	Bend	trans	-65.8	45.9	-170.6	49.4	0	0	0	0	115.5
53	Y	28.6	Very low	36.7	Very low	202 Å²	202	105.3 Å²	105.3	79%	0.792	50%	0.502	S	S	*	.			trans	-120.8	122.5	176.6	-109.4	-90.8	0	0	0	110.8	Q51 I55	Q51-Y53 PolarHBondContact O-N 2.93Å; Y53-I55 PolarHBondContact O-N 3.34Å
54	P	33.8	Very low	36.9	Very low	83 Å²	83	99.4 Å²	99.4	54%	0.539	49%	0.49	S	S	.	.			trans	-81.6	85.7	-177.2	34.3	-32.7	0	0	0	109.4	N56 F57	P54-N56 PolarHBondContact O-N 3.4Å; P54-N56 VanDerWaalsContact O-N 3.15Å; P54-F57 HydrophobicContact CB-CB 3.87Å; P54-F57 HydrophobicContact CG-CB 3.83Å; P54-F57 HydrophobicContact CG-CG 4.5Å; P54-F57 VanDerWaalsContact O-CB 3.28Å; P54-F57 WeakPolarHBondContact O-CB 3.39Å; P54-F57 PolarHBondContact O-N 3.48Å
55	I	35.4	Very low	37.1	Very low	77 Å²	77	103.3 Å²	103.3	40%	0.395	51%	0.507	S	S	.	.	H	α-helix	trans	-55.6	-28.3	169.4	-65.7	170.3	0	0	0	110.5	R48 Y53 F57 H58 Y59	R48-I55 HydrophobicContact CB-CD1 4.21Å; Y53-I55 PolarHBondContact O-N 3.34Å; I55-F57 VanDerWaalsContact C-N 3.28Å; I55-F57 PolarHBondContact O-N 2.93Å; I55-H58 PolarHBondContact O-N 3.43Å; I55-Y59 HydrophobicContact CG2-CE2 4.14Å; I55-Y59 WeakPolarHBondContact O-CD2 3.47Å
56	N	39.9	Very low	37.2	Very low	107 Å²	107	102.7 Å²	102.7	57%	0.572	50%	0.503	S	S	*	.	H	α-helix	trans	-66.9	-23.7	174.6	-64.5	-17.2	0	0	0	113.8	P54	P54-N56 PolarHBondContact O-N 3.4Å; P54-N56 VanDerWaalsContact O-N 3.15Å
57	F	32.9	Very low	37.7	Very low	114 Å²	114	101.1 Å²	101.1	50%	0.5	50%	0.495	S	S	.	.	H	α-helix	trans	-74.2	-28.5	-178.6	-165.6	-104.6	0	0	0	112.2	P54 I55 Q61	P54-F57 HydrophobicContact CB-CB 3.87Å; P54-F57 HydrophobicContact CG-CB 3.83Å; P54-F57 HydrophobicContact CG-CG 4.5Å; P54-F57 VanDerWaalsContact O-CB 3.28Å; P54-F57 WeakPolarHBondContact O-CB 3.39Å; P54-F57 PolarHBondContact O-N 3.48Å; I55-F57 VanDerWaalsContact C-N 3.28Å; I55-F57 PolarHBondContact O-N 2.93Å; F57-Q61 HydrophobicContact CD1-CG 4.43Å; F57-Q61 VanDerWaalsContact CD1-OE1 3.3Å; F57-Q61 HydrophobicContact CE1-CG 4.31Å; F57-Q61 VanDerWaalsContact CE1-OE1 3.24Å; F57-Q61 WeakPolarHBondContact O-CB 3.13Å; F57-Q61 VanDerWaalsContact O-CG 3.3Å; F57-Q61 WeakPolarHBondContact O-CG 3.38Å; F57-Q61 PolarHBondContact O-N 3.49Å
58	H	38.3	Very low	38.1	Very low	121 Å²	121	104.6 Å²	104.6	56%	0.56	51%	0.508	S	S	*	.	H	α-helix	trans	-77.2	-35.8	-176.2	-157.5	59.2	0	0	0	112.6	I55 L62	I55-H58 PolarHBondContact O-N 3.43Å; H58-L62 WeakPolarHBondContact O-CB 3.28Å; H58-L62 WeakPolarHBondContact O-CD1 3.48Å; H58-L62 VanDerWaalsContact O-CG 3.29Å; H58-L62 WeakPolarHBondContact O-CG 3.43Å; H58-L62 PolarHBondContact O-N 3.44Å; H58-L62 VanDerWaalsContact O-N 3.07Å
59	Y	39.9	Very low	38.4	Very low	61 Å²	61	104.3 Å²	104.3	24%	0.239	51%	0.513	C	S	.	.	H	α-helix	trans	-73.7	-43.1	179.3	-74.2	-81.1	0	0	0	112.4	I55 Q61 L62 L63	I55-Y59 HydrophobicContact CG2-CE2 4.14Å; I55-Y59 WeakPolarHBondContact O-CD2 3.47Å; Y59-Q61 VanDerWaalsContact C-N 3.31Å; Y59-Q61 PolarHBondContact O-N 3.35Å; Y59-L62 PolarHBondContact O-N 3.02Å; Y59-L63 VanDerWaalsContact O-CB 3.25Å; Y59-L63 WeakPolarHBondContact O-CB 3.49Å; Y59-L63 PolarHBondContact O-N 2.84Å
60	D	43.7	Very low	38.7	Very low	78 Å²	78	101.3 Å²	101.3	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-66.8	-33.3	179.1	-66.8	-17.4	0	0	0	111.8	A64	D60-A64 VanDerWaalsContact O-CB 3.25Å; D60-A64 WeakPolarHBondContact O-CB 3.41Å; D60-A64 PolarHBondContact O-N 3.11Å
61	Q	44.2	Very low	38.7	Very low	93 Å²	93	94 Å²	94	44%	0.435	48%	0.475	S	S	.	.	H	α-helix	trans	-71.6	-46.3	173.6	-76.9	-175	-41.2	0	0	112.9	F57 Y59 L63 A64 Q65	F57-Q61 HydrophobicContact CD1-CG 4.43Å; F57-Q61 VanDerWaalsContact CD1-OE1 3.3Å; F57-Q61 HydrophobicContact CE1-CG 4.31Å; F57-Q61 VanDerWaalsContact CE1-OE1 3.24Å; F57-Q61 WeakPolarHBondContact O-CB 3.13Å; F57-Q61 VanDerWaalsContact O-CG 3.3Å; F57-Q61 WeakPolarHBondContact O-CG 3.38Å; F57-Q61 PolarHBondContact O-N 3.49Å; Y59-Q61 VanDerWaalsContact C-N 3.31Å; Y59-Q61 PolarHBondContact O-N 3.35Å; Q61-L63 PolarHBondContact O-N 3.32Å; Q61-A64 PolarHBondContact O-N 2.89Å; Q61-Q65 WeakPolarHBondContact O-CB 3.46Å; Q61-Q65 PolarHBondContact O-N 3.38Å
62	L	44.8	Very low	39.1	Very low	79 Å²	79	88.4 Å²	88.4	41%	0.414	45%	0.449	S	S	.	.	H	α-helix	trans	-58.8	-39.9	176	-81.4	166.5	0	0	0	111.2	H58 Y59 Q65 L66	H58-L62 WeakPolarHBondContact O-CB 3.28Å; H58-L62 WeakPolarHBondContact O-CD1 3.48Å; H58-L62 VanDerWaalsContact O-CG 3.29Å; H58-L62 WeakPolarHBondContact O-CG 3.43Å; H58-L62 PolarHBondContact O-N 3.44Å; H58-L62 VanDerWaalsContact O-N 3.07Å; Y59-L62 PolarHBondContact O-N 3.02Å; L62-Q65 PolarHBondContact O-N 2.92Å; L62-L66 WeakPolarHBondContact O-CB 3.4Å; L62-L66 WeakPolarHBondContact O-CD1 3.32Å; L62-L66 VanDerWaalsContact O-CG 3.27Å; L62-L66 WeakPolarHBondContact O-CG 3.28Å; L62-L66 PolarHBondContact O-N 3.1Å
63	L	47.1	Very low	39.3	Very low	23 Å²	23	82.6 Å²	82.6	12%	0.12	41%	0.408	C	S	.	.	H	α-helix	trans	-72.2	-39.9	179.1	-158.3	101.3	0	0	0	113	Y59 Q61 Q65 L66 I67 I73 W283	Y59-L63 VanDerWaalsContact O-CB 3.25Å; Y59-L63 WeakPolarHBondContact O-CB 3.49Å; Y59-L63 PolarHBondContact O-N 2.84Å; Q61-L63 PolarHBondContact O-N 3.32Å; L63-Q65 PolarHBondContact O-N 3.49Å; L63-L66 PolarHBondContact O-N 3.37Å; L63-I67 HydrophobicContact CD2-CD1 3.63Å; L63-I67 HydrophobicContact CG-CD1 4.14Å; L63-I67 WeakPolarHBondContact O-CB 3.33Å; L63-I67 VanDerWaalsContact O-CG1 3.22Å; L63-I67 WeakPolarHBondContact O-CG1 3.24Å; L63-I67 PolarHBondContact O-N 2.85Å; L63-I73 HydrophobicContact CD1-CD1 3.66Å; L63-I73 HydrophobicContact CD1-CG1 4.43Å; L63-I73 HydrophobicContact CD2-CD1 3.78Å; L63-I73 HydrophobicContact CG-CD1 3.65Å; L63-W283 HydrophobicContact CD1-CD2 4.43Å; L63-W283 HydrophobicContact CD1-CE3 3.57Å; L63-W283 HydrophobicContact CD1-CH2 3.61Å; L63-W283 HydrophobicContact CD1-CZ2 4.27Å; L63-W283 HydrophobicContact CD1-CZ3 3.12Å; L63-W283 HydrophobicContact CD2-CH2 2.96Å; L63-W283 HydrophobicContact CD2-CZ2 3.57Å; L63-W283 HydrophobicContact CD2-CZ3 3.49Å; L63-W283 VanDerWaalsContact CD2-CZ3 3.49Å; L63-W283 HydrophobicContact CG-CH2 3.78Å; L63-W283 HydrophobicContact CG-CZ2 4.35Å; L63-W283 HydrophobicContact CG-CZ3 3.83Å
64	A	45	Very low	39.7	Very low	48 Å²	48	75.7 Å²	75.7	40%	0.397	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-32.1	172.8	0	0	0	0	0	111.8	D60 Q61 K68	D60-A64 VanDerWaalsContact O-CB 3.25Å; D60-A64 WeakPolarHBondContact O-CB 3.41Å; D60-A64 PolarHBondContact O-N 3.11Å; Q61-A64 PolarHBondContact O-N 2.89Å; A64-K68 WeakPolarHBondContact O-CB 3.32Å; A64-K68 PolarHBondContact O-N 2.9Å; A64-K68 VanDerWaalsContact O-N 3.14Å
65	Q	42.1	Very low	39.9	Very low	111 Å²	111	72.3 Å²	72.3	52%	0.519	36%	0.36	S	S	.	.	H	α-helix	trans	-74.6	-45.6	177	-147.7	154.5	-8.8	0	0	111.4	Q61 L62 L63 I67 K68 E69	Q61-Q65 WeakPolarHBondContact O-CB 3.46Å; Q61-Q65 PolarHBondContact O-N 3.38Å; L62-Q65 PolarHBondContact O-N 2.92Å; L63-Q65 PolarHBondContact O-N 3.49Å; Q65-I67 PolarHBondContact O-N 3.4Å; Q65-K68 PolarHBondContact O-N 3.31Å; Q65-E69 WeakPolarHBondContact O-CB 3.32Å; Q65-E69 WeakPolarHBondContact O-CG 3.38Å; Q65-E69 PolarHBondContact O-N 2.89Å
66	L	39.7	Very low	39.7	Very low	44 Å²	44	71.1 Å²	71.1	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-60.8	-42.2	174	-74	162.8	0	0	0	112.7	L62 L63 D70 F270	L62-L66 WeakPolarHBondContact O-CB 3.4Å; L62-L66 WeakPolarHBondContact O-CD1 3.32Å; L62-L66 VanDerWaalsContact O-CG 3.27Å; L62-L66 WeakPolarHBondContact O-CG 3.28Å; L62-L66 PolarHBondContact O-N 3.1Å; L63-L66 PolarHBondContact O-N 3.37Å; L66-D70 PolarHBondContact O-N 3.41Å; L66-F270 HydrophobicContact CD1-CD2 4.26Å; L66-F270 HydrophobicContact CD1-CE2 4.34Å; L66-F270 HydrophobicContact CD2-CB 4Å; L66-F270 HydrophobicContact CD2-CD2 4.35Å; L66-F270 HydrophobicContact CD2-CG 4.1Å
67	I	44.1	Very low	39.4	Very low	49 Å²	49	72.4 Å²	72.4	25%	0.251	36%	0.362	S	S	.	.	H	α-helix	trans	-68.5	-35.3	176.3	-66.9	166.6	0	0	0	111.7	L63 Q65 G71 I73	L63-I67 HydrophobicContact CD2-CD1 3.63Å; L63-I67 HydrophobicContact CG-CD1 4.14Å; L63-I67 WeakPolarHBondContact O-CB 3.33Å; L63-I67 VanDerWaalsContact O-CG1 3.22Å; L63-I67 WeakPolarHBondContact O-CG1 3.24Å; L63-I67 PolarHBondContact O-N 2.85Å; Q65-I67 PolarHBondContact O-N 3.4Å; I67-G71 WeakPolarHBondContact O-CA 3.4Å; I67-G71 PolarHBondContact O-N 3.29Å; I67-G71 VanDerWaalsContact O-N 3.11Å; I67-I73 HydrophobicContact CD1-CD1 3.66Å; I67-I73 HydrophobicContact CD1-CG1 4.48Å; I67-I73 HydrophobicContact CG1-CD1 3.57Å; I67-I73 HydrophobicContact CG1-CG1 3.84Å
68	K	42.3	Very low	39.4	Very low	188 Å²	188	69.3 Å²	69.3	82%	0.817	35%	0.35	S	S	*	.	H	α-helix	trans	-74.1	-31.8	-179	-173.5	178.3	-179.5	-175.6	0	112.2	A64 Q65	A64-K68 WeakPolarHBondContact O-CB 3.32Å; A64-K68 PolarHBondContact O-N 2.9Å; A64-K68 VanDerWaalsContact O-N 3.14Å; Q65-K68 PolarHBondContact O-N 3.31Å
69	E	37.9	Very low	39.1	Very low	137 Å²	137	65.5 Å²	65.5	64%	0.64	33%	0.333	S	S	*	.	H	α-helix	trans	-86	-41.6	179.5	-71.2	173.6	-174	0	0	111.8	Q65	Q65-E69 WeakPolarHBondContact O-CB 3.32Å; Q65-E69 WeakPolarHBondContact O-CG 3.38Å; Q65-E69 PolarHBondContact O-N 2.89Å
70	D	39	Very low	39	Very low	71 Å²	71	63 Å²	63	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-120.6	-4.4	-166.3	-59.9	-39.7	0	0	0	115.4	L66 H72 A268	L66-D70 PolarHBondContact O-N 3.41Å; D70-H72 VanDerWaalsContact C-N 3.3Å; D70-H72 PolarHBondContact O-CE1 2.9Å; D70-H72 PolarHBondContact O-N 2.83Å; D70-H72 PolarHBondContact O-ND1 3.4Å; D70-H72 VanDerWaalsContact O-ND1 3.08Å; D70-A268 HydrophobicContact CB-CB 4Å
71	G	32.9	Very low	38.4	Very low	21 Å²	21	62.2 Å²	62.2	22%	0.216	32%	0.323	C	S	.	.	S	Bend	trans	77.3	-4.6	169.1	0	0	0	0	0	117.3	I67 K82	I67-G71 WeakPolarHBondContact O-CA 3.4Å; I67-G71 PolarHBondContact O-N 3.29Å; I67-G71 VanDerWaalsContact O-N 3.11Å; G71-K82 WeakPolarHBondContact O-CB 3.49Å
72	H	38.6	Very low	38	Very low	24 Å²	24	63.5 Å²	63.5	11%	0.111	33%	0.327	C	S	.	.	S	Bend	trans	-167.2	174.6	174.7	58.8	-74.6	0	0	0	111	D70 M79 I80 N266 Y267 A268	D70-H72 VanDerWaalsContact C-N 3.3Å; D70-H72 PolarHBondContact O-CE1 2.9Å; D70-H72 PolarHBondContact O-N 2.83Å; D70-H72 PolarHBondContact O-ND1 3.4Å; D70-H72 VanDerWaalsContact O-ND1 3.08Å; H72-M79 VanDerWaalsContact CD2-CE 3.49Å; H72-M79 WeakPolarHBondContact CD2-CE 3.35Å; H72-I80 WeakPolarHBondContact CB-O 3.47Å; H72-N266 PolarHBondContact CE1-O 3.28Å; H72-N266 VanDerWaalsContact CE1-O 3.25Å; H72-N266 PolarHBondContact ND1-O 3.39Å; H72-Y267 VanDerWaalsContact CE1-CA 3.43Å; H72-Y267 WeakPolarHBondContact CE1-CA 3.27Å; H72-Y267 VanDerWaalsContact NE2-C 3.26Å; H72-Y267 WeakPolarHBondContact NE2-CA 3.48Å; H72-A268 WeakPolarHBondContact CE1-CB 3.26Å; H72-A268 PolarHBondContact CE1-N 2.99Å; H72-A268 WeakPolarHBondContact NE2-CA 3.41Å; H72-A268 WeakPolarHBondContact NE2-CB 3.22Å; H72-A268 PolarHBondContact NE2-N 2.74Å; H72-A268 PolarHBondContact NE2-O 2.74Å
73	I	35.9	Very low	37.4	Very low	4 Å²	4	63.3 Å²	63.3	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.8	-178.8	-57.7	152.6	0	0	0	108.7	L63 I67 I80 F270 L284	L63-I73 HydrophobicContact CD1-CD1 3.66Å; L63-I73 HydrophobicContact CD1-CG1 4.43Å; L63-I73 HydrophobicContact CD2-CD1 3.78Å; L63-I73 HydrophobicContact CG-CD1 3.65Å; I67-I73 HydrophobicContact CD1-CD1 3.66Å; I67-I73 HydrophobicContact CD1-CG1 4.48Å; I67-I73 HydrophobicContact CG1-CD1 3.57Å; I67-I73 HydrophobicContact CG1-CG1 3.84Å; I73-I80 PolarHBondContact O-N 2.84Å; I73-F270 HydrophobicContact CB-CE1 4.46Å; I73-F270 HydrophobicContact CG2-CE1 3.59Å; I73-F270 HydrophobicContact CG2-CZ 3.7Å; I73-L284 HydrophobicContact CB-CD2 4.22Å; I73-L284 HydrophobicContact CD1-CD2 4.29Å; I73-L284 HydrophobicContact CG2-CD1 3.74Å; I73-L284 HydrophobicContact CG2-CD2 3.64Å; I73-L284 HydrophobicContact CG2-CG 4.37Å
74	E	35.9	Very low	36.9	Very low	57 Å²	57	64.8 Å²	64.8	27%	0.266	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.4	170	-171.8	176.9	-164.8	0	0	110.9	F270	E74-F270 WeakPolarHBondContact O-CE1 3.33Å; E74-F270 VanDerWaalsContact O-CZ 3.24Å; E74-F270 WeakPolarHBondContact O-CZ 3.38Å
75	V	37.8	Very low	36.6	Very low	11 Å²	11	64.3 Å²	64.3	7%	0.067	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	128.7	167.5	141.5	0	0	0	0	111.8	N77 L78 F270 V280 R281 L284	V75-N77 VanDerWaalsContact C-N 3.26Å; V75-N77 PolarHBondContact O-N 2.82Å; V75-L78 PolarHBondContact N-O 2.94Å; V75-L78 WeakPolarHBondContact O-CA 2.99Å; V75-L78 WeakPolarHBondContact O-CB 3.46Å; V75-L78 PolarHBondContact O-N 2.83Å; V75-F270 HydrophobicContact CG2-CZ 4.27Å; V75-V280 HydrophobicContact CG2-CG1 3.76Å; V75-R281 HydrophobicContact CG1-CB 4.07Å; V75-R281 HydrophobicContact CG1-CG 3.93Å; V75-L284 HydrophobicContact CB-CB 4.46Å; V75-L284 HydrophobicContact CB-CD1 3.26Å; V75-L284 HydrophobicContact CB-CG 4.39Å; V75-L284 HydrophobicContact CG1-CB 4.27Å; V75-L284 HydrophobicContact CG1-CD1 3.79Å; V75-L284 HydrophobicContact CG2-CD1 2.93Å; V75-L284 HydrophobicContact CG2-CG 4.33Å
76	N	32.3	Very low	36.1	Very low	53 Å²	53	63.9 Å²	63.9	28%	0.283	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	49.6	175.3	-67.3	39.5	0	0	0	112.8	L78 R281	N76-L78 PolarHBondContact O-N 2.89Å; N76-R281 VanDerWaalsContact ND2-CD 3.27Å; N76-R281 WeakPolarHBondContact ND2-CD 3.44Å; N76-R281 PolarHBondContact ND2-NE 2.66Å; N76-R281 PolarHBondContact ND2-NH1 3.41Å
77	N	33.6	Very low	35.8	Very low	134 Å²	134	69.9 Å²	69.9	72%	0.717	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	11.7	-177.7	-49.4	-26.8	0	0	0	115	V75	V75-N77 VanDerWaalsContact C-N 3.26Å; V75-N77 PolarHBondContact O-N 2.82Å
78	L	31.5	Very low	35.2	Very low	48 Å²	48	72.4 Å²	72.4	25%	0.251	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.4	175.9	-74.1	164.2	0	0	0	108.6	V75 N76 L285 I291	V75-L78 PolarHBondContact N-O 2.94Å; V75-L78 WeakPolarHBondContact O-CA 2.99Å; V75-L78 WeakPolarHBondContact O-CB 3.46Å; V75-L78 PolarHBondContact O-N 2.83Å; N76-L78 PolarHBondContact O-N 2.89Å; L78-L285 HydrophobicContact CD1-CD2 4.49Å; L78-I291 HydrophobicContact CB-CB 3.84Å; L78-I291 HydrophobicContact CB-CD1 3.9Å; L78-I291 HydrophobicContact CB-CG1 4.5Å; L78-I291 HydrophobicContact CB-CG2 3.43Å; L78-I291 VanDerWaalsContact CB-CG2 3.43Å; L78-I291 HydrophobicContact CD1-CB 4.23Å; L78-I291 HydrophobicContact CD1-CD1 4.47Å; L78-I291 HydrophobicContact CD2-CB 3.61Å; L78-I291 HydrophobicContact CD2-CG2 3.51Å; L78-I291 WeakPolarHBondContact CD2-OXT 3.45Å; L78-I291 HydrophobicContact CG-CB 4.08Å; L78-I291 HydrophobicContact CG-CG2 3.99Å
79	M	33.7	Very low	34.6	Very low	42 Å²	42	70 Å²	70	21%	0.207	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	111	-160.3	-151.3	-100.1	164.7	0	0	107.6	H72 P81 N266 Y267	H72-M79 VanDerWaalsContact CD2-CE 3.49Å; H72-M79 WeakPolarHBondContact CD2-CE 3.35Å; M79-P81 VanDerWaalsContact O-CD 3.31Å; M79-P81 WeakPolarHBondContact O-CD 3.48Å; M79-N266 WeakPolarHBondContact CE-O 3.25Å; M79-Y267 HydrophobicContact CB-CE1 4.37Å; M79-Y267 HydrophobicContact CE-CD1 2.99Å; M79-Y267 HydrophobicContact CE-CD2 3.76Å; M79-Y267 HydrophobicContact CE-CE1 3.3Å; M79-Y267 HydrophobicContact CE-CE2 4Å; M79-Y267 HydrophobicContact CE-CG 3.23Å; M79-Y267 HydrophobicContact CG-CD1 3.54Å; M79-Y267 HydrophobicContact CG-CE1 3.42Å; M79-Y267 VanDerWaalsContact CG-CE1 3.42Å; M79-Y267 HydrophobicContact SD-CD1 3.38Å; M79-Y267 WeakPolarHBondContact SD-CD1 3.38Å; M79-Y267 HydrophobicContact SD-CE1 2.99Å; M79-Y267 WeakPolarHBondContact SD-CE1 3.25Å; M79-Y267 HydrophobicContact SD-CE2 4.28Å; M79-Y267 HydrophobicContact SD-CG 4.16Å
80	I	37.6	Very low	34.3	Very low	7 Å²	7	67 Å²	67	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.2	-173	-66.6	152.4	0	0	0	109.6	H72 I73 L284 F288 I291	H72-I80 WeakPolarHBondContact CB-O 3.47Å; I73-I80 PolarHBondContact O-N 2.84Å; I80-L284 HydrophobicContact CD1-CD2 3.4Å; I80-L284 HydrophobicContact CD1-CG 4.47Å; I80-F288 HydrophobicContact CB-CD1 4.38Å; I80-F288 HydrophobicContact CD1-CB 3.86Å; I80-F288 HydrophobicContact CD1-CD1 3.92Å; I80-F288 HydrophobicContact CD1-CD2 3.36Å; I80-F288 HydrophobicContact CD1-CE1 4.32Å; I80-F288 HydrophobicContact CD1-CE2 3.81Å; I80-F288 HydrophobicContact CD1-CG 3.41Å; I80-F288 VanDerWaalsContact CD1-CG 3.41Å; I80-F288 HydrophobicContact CD1-CZ 4.25Å; I80-F288 HydrophobicContact CG1-CB 4.1Å; I80-F288 HydrophobicContact CG1-CD1 4.07Å; I80-F288 HydrophobicContact CG1-CD2 4.34Å; I80-F288 HydrophobicContact CG1-CG 3.89Å; I80-F288 HydrophobicContact CG2-CD1 3.39Å; I80-F288 HydrophobicContact CG2-CE1 3.39Å; I80-F288 HydrophobicContact CG2-CG 4.08Å; I80-F288 HydrophobicContact CG2-CZ 4.07Å; I80-I291 HydrophobicContact CD1-CD1 3.62Å; I80-I291 HydrophobicContact CD1-CG1 4.3Å; I80-I291 HydrophobicContact CG1-CD1 3.7Å; I80-I291 HydrophobicContact CG1-CG1 3.91Å; I80-I291 HydrophobicContact CG1-CG2 4.25Å
81	P	30.2	Very low	33.9	Very low	63 Å²	63	71.8 Å²	71.8	41%	0.409	37%	0.371	S	S	.	.			trans	-72.4	145.1	-179.5	17.9	-18.6	0	0	0	112.4	M79 S83 T84	M79-P81 VanDerWaalsContact O-CD 3.31Å; M79-P81 WeakPolarHBondContact O-CD 3.48Å; P81-S83 PolarHBondContact O-N 3.02Å; P81-S83 VanDerWaalsContact O-N 3.08Å; P81-T84 WeakPolarHBondContact CD-OG1 3.38Å; P81-T84 VanDerWaalsContact CG-OG1 3.32Å; P81-T84 WeakPolarHBondContact CG-OG1 3.43Å; P81-T84 WeakPolarHBondContact O-CB 3.3Å; P81-T84 PolarHBondContact O-N 2.78Å; P81-T84 PolarHBondContact O-OG1 3.36Å
82	K	35.9	Very low	34	Very low	119 Å²	119	77 Å²	77	52%	0.517	38%	0.384	S	S	.	.	H	α-helix	trans	-53.5	-28.3	173.8	-166	175.1	-177.8	171.2	0	113	G71 T84 V85 N86	G71-K82 WeakPolarHBondContact O-CB 3.49Å; K82-T84 VanDerWaalsContact C-N 3.26Å; K82-T84 PolarHBondContact O-N 3.26Å; K82-V85 PolarHBondContact O-N 3Å; K82-N86 WeakPolarHBondContact O-CB 3.29Å; K82-N86 PolarHBondContact O-N 3.33Å; K82-N86 PolarHBondContact O-ND2 3.46Å
83	S	33	Very low	33.7	Very low	76 Å²	76	83.5 Å²	83.5	53%	0.531	42%	0.42	S	S	.	.	H	α-helix	trans	-63.1	-30.3	175.9	55.2	0	0	0	0	113	P81	P81-S83 PolarHBondContact O-N 3.02Å; P81-S83 VanDerWaalsContact O-N 3.08Å
84	T	36.2	Very low	33.7	Very low	53 Å²	53	89.5 Å²	89.5	33%	0.325	45%	0.447	S	S	.	.	H	α-helix	trans	-75.7	-30.4	176.6	-25.8	0	0	0	0	111.4	P81 K82	P81-T84 WeakPolarHBondContact CD-OG1 3.38Å; P81-T84 VanDerWaalsContact CG-OG1 3.32Å; P81-T84 WeakPolarHBondContact CG-OG1 3.43Å; P81-T84 WeakPolarHBondContact O-CB 3.3Å; P81-T84 PolarHBondContact O-N 2.78Å; P81-T84 PolarHBondContact O-OG1 3.36Å; K82-T84 VanDerWaalsContact C-N 3.26Å; K82-T84 PolarHBondContact O-N 3.26Å
85	V	38.5	Very low	33.5	Very low	39 Å²	39	89.9 Å²	89.9	24%	0.236	46%	0.456	C	S	.	.	H	α-helix	trans	-75.6	-36.2	172.8	-176.3	0	0	0	0	111.1	K82 Q87 Q88 F288	K82-V85 PolarHBondContact O-N 3Å; V85-Q87 VanDerWaalsContact C-N 3.25Å; V85-Q87 PolarHBondContact O-N 3.08Å; V85-Q88 PolarHBondContact O-N 3Å; V85-Q88 VanDerWaalsContact O-N 3.15Å; V85-F288 HydrophobicContact CG2-CE1 4.05Å; V85-F288 HydrophobicContact CG2-CZ 4.47Å
86	N	32.3	Very low	33.5	Very low	101 Å²	101	95.3 Å²	95.3	54%	0.54	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.7	-176.7	-77.8	-17.7	0	0	0	115.1	K82 Q88	K82-N86 WeakPolarHBondContact O-CB 3.29Å; K82-N86 PolarHBondContact O-N 3.33Å; K82-N86 PolarHBondContact O-ND2 3.46Å; N86-Q88 PolarHBondContact O-N 3.34Å
87	Q	32.9	Very low	33.9	Very low	170 Å²	170	96.8 Å²	96.8	79%	0.794	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-14	170.5	-69	-173.2	-1.9	0	0	112.6	V85	V85-Q87 VanDerWaalsContact C-N 3.25Å; V85-Q87 PolarHBondContact O-N 3.08Å
88	Q	31.7	Very low	34.1	Very low	102 Å²	102	94.8 Å²	94.8	48%	0.477	50%	0.497	S	S	.	.	S	Bend	trans	-100.8	101.1	161.6	-64.4	-173.1	11.7	0	0	108.1	V85 N86 Y90	V85-Q88 PolarHBondContact O-N 3Å; V85-Q88 VanDerWaalsContact O-N 3.15Å; N86-Q88 PolarHBondContact O-N 3.34Å; Q88-Y90 HydrophobicContact CB-CD2 4.03Å; Q88-Y90 HydrophobicContact CB-CE2 4.05Å; Q88-Y90 WeakPolarHBondContact O-CD2 3.44Å; Q88-Y90 PolarHBondContact O-N 3Å
89	T	28.5	Very low	34.7	Very low	137 Å²	137	96.3 Å²	96.3	84%	0.84	51%	0.508	S	S	*	.			trans	-65.2	84.6	176.4	-8.5	0	0	0	0	109.5	R91	T89-R91 PolarHBondContact O-N 3.38Å
90	Y	32.6	Very low	35	Very low	75 Å²	75	96.2 Å²	96.2	29%	0.294	51%	0.514	S	S	.	.			trans	-80.2	106.3	165.1	-77.1	-96.7	0	0	0	107.6	Q88 W92 R108	Q88-Y90 HydrophobicContact CB-CD2 4.03Å; Q88-Y90 HydrophobicContact CB-CE2 4.05Å; Q88-Y90 WeakPolarHBondContact O-CD2 3.44Å; Q88-Y90 PolarHBondContact O-N 3Å; Y90-W92 VanDerWaalsContact CB-CE2 3.43Å; Y90-W92 AromaticContact CD1-CD2 3.91Å; Y90-W92 HydrophobicContact CD1-CD2 3.91Å; Y90-W92 AromaticContact CD1-CE2 3.22Å; Y90-W92 HydrophobicContact CD1-CE3 4.35Å; Y90-W92 AromaticContact CD1-CH2 3.61Å; Y90-W92 HydrophobicContact CD1-CH2 3.61Å; Y90-W92 AromaticContact CD1-CZ2 3.06Å; Y90-W92 HydrophobicContact CD1-CZ2 3.06Å; Y90-W92 HydrophobicContact CD1-CZ3 4.22Å; Y90-W92 AromaticContact CD1-NE1 3.69Å; Y90-W92 HydrophobicContact CD2-CZ2 4.1Å; Y90-W92 AromaticContact CD2-NE1 3.84Å; Y90-W92 AromaticContact CE1-CE2 3.79Å; Y90-W92 AromaticContact CE1-CH2 3.41Å; Y90-W92 HydrophobicContact CE1-CH2 3.41Å; Y90-W92 VanDerWaalsContact CE1-CH2 3.41Å; Y90-W92 AromaticContact CE1-CZ2 3.07Å; Y90-W92 HydrophobicContact CE1-CZ2 3.07Å; Y90-W92 HydrophobicContact CE1-CZ3 4.34Å; Y90-W92 HydrophobicContact CE2-CZ2 4.15Å; Y90-W92 HydrophobicContact CG-CD2 4.21Å; Y90-W92 AromaticContact CG-CE2 3.38Å; Y90-W92 AromaticContact CG-CZ2 3.58Å; Y90-W92 HydrophobicContact CG-CZ2 3.58Å; Y90-W92 AromaticContact CG-NE1 3.29Å; Y90-W92 VanDerWaalsContact CG-NE1 3.29Å; Y90-W92 AromaticContact CZ-CZ2 3.65Å; Y90-W92 PolarHBondContact O-N 3.23Å; Y90-R108 PolarHBondContact OH-NH1 3.42Å; Y90-R108 PolarHBondContact OH-NH2 3.01Å
91	R	30.9	Very low	35.2	Very low	172 Å²	172	98.5 Å²	98.5	65%	0.649	53%	0.526	S	S	*	.			trans	-70.6	80.2	158.2	-76.2	-171.1	170.5	-153	-1.2	108.1	T89 D93 E94	T89-R91 PolarHBondContact O-N 3.38Å; R91-D93 PolarHBondContact O-N 3.47Å; R91-E94 WeakPolarHBondContact CD-OE2 3.4Å; R91-E94 IonicContact NH1-OE1 3.46Å; R91-E94 PolarHBondContact NH1-OE1 3.03Å; R91-E94 IonicContact NH1-OE2 3.32Å; R91-E94 PolarHBondContact NH1-OE2 3.06Å
92	W	33.3	Very low	36	Very low	130 Å²	130	99.8 Å²	99.8	49%	0.492	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-70.4	-15.5	-179	-74.7	113.9	0	0	0	113.2	Y90 E94 L101	Y90-W92 VanDerWaalsContact CB-CE2 3.43Å; Y90-W92 AromaticContact CD1-CD2 3.91Å; Y90-W92 HydrophobicContact CD1-CD2 3.91Å; Y90-W92 AromaticContact CD1-CE2 3.22Å; Y90-W92 HydrophobicContact CD1-CE3 4.35Å; Y90-W92 AromaticContact CD1-CH2 3.61Å; Y90-W92 HydrophobicContact CD1-CH2 3.61Å; Y90-W92 AromaticContact CD1-CZ2 3.06Å; Y90-W92 HydrophobicContact CD1-CZ2 3.06Å; Y90-W92 HydrophobicContact CD1-CZ3 4.22Å; Y90-W92 AromaticContact CD1-NE1 3.69Å; Y90-W92 HydrophobicContact CD2-CZ2 4.1Å; Y90-W92 AromaticContact CD2-NE1 3.84Å; Y90-W92 AromaticContact CE1-CE2 3.79Å; Y90-W92 AromaticContact CE1-CH2 3.41Å; Y90-W92 HydrophobicContact CE1-CH2 3.41Å; Y90-W92 VanDerWaalsContact CE1-CH2 3.41Å; Y90-W92 AromaticContact CE1-CZ2 3.07Å; Y90-W92 HydrophobicContact CE1-CZ2 3.07Å; Y90-W92 HydrophobicContact CE1-CZ3 4.34Å; Y90-W92 HydrophobicContact CE2-CZ2 4.15Å; Y90-W92 HydrophobicContact CG-CD2 4.21Å; Y90-W92 AromaticContact CG-CE2 3.38Å; Y90-W92 AromaticContact CG-CZ2 3.58Å; Y90-W92 HydrophobicContact CG-CZ2 3.58Å; Y90-W92 AromaticContact CG-NE1 3.29Å; Y90-W92 VanDerWaalsContact CG-NE1 3.29Å; Y90-W92 AromaticContact CZ-CZ2 3.65Å; Y90-W92 PolarHBondContact O-N 3.23Å; W92-E94 PolarHBondContact O-N 3.41Å; W92-L101 HydrophobicContact CH2-CD1 3.98Å; W92-L101 HydrophobicContact CZ3-CD1 3.77Å
93	D	33.5	Very low	36.6	Very low	160 Å²	160	99.8 Å²	99.8	86%	0.856	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-79.2	-5.5	-174.7	-48.8	-21.2	0	0	0	113	R91	R91-D93 PolarHBondContact O-N 3.47Å
94	E	35.4	Very low	37.1	Very low	130 Å²	130	97.8 Å²	97.8	61%	0.607	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-120	-1.2	-171.4	-69.9	176.2	164.6	0	0	114.3	R91 W92 S96	R91-E94 WeakPolarHBondContact CD-OE2 3.4Å; R91-E94 IonicContact NH1-OE1 3.46Å; R91-E94 PolarHBondContact NH1-OE1 3.03Å; R91-E94 IonicContact NH1-OE2 3.32Å; R91-E94 PolarHBondContact NH1-OE2 3.06Å; W92-E94 PolarHBondContact O-N 3.41Å; E94-S96 PolarHBondContact O-N 2.82Å
95	C	32.3	Very low	37.6	Very low	65 Å²	65	97.7 Å²	97.7	44%	0.439	51%	0.512	S	S	.	.			trans	-101.5	67.8	-176.7	-72.9	0	0	0	0	113.3	N97	C95-N97 PolarHBondContact O-N 3.35Å; C95-N97 VanDerWaalsContact O-N 3.16Å
96	S	36.8	Very low	38	Very low	125 Å²	125	101 Å²	101	87%	0.874	53%	0.525	S	S	*	.			trans	-67.9	-2.4	167.2	-49.5	0	0	0	0	113.6	E94	E94-S96 PolarHBondContact O-N 2.82Å
97	N	41.4	Very low	38.6	Very low	85 Å²	85	101.7 Å²	101.7	46%	0.455	53%	0.528	S	S	.	.			trans	-118.6	110.9	-173.3	-169.2	-19.4	0	0	0	111.5	C95 T99 A100 L101	C95-N97 PolarHBondContact O-N 3.35Å; C95-N97 VanDerWaalsContact O-N 3.16Å; N97-T99 PolarHBondContact O-N 3.2Å; N97-T99 VanDerWaalsContact O-N 3.13Å; N97-T99 WeakPolarHBondContact OD1-CB 3.39Å; N97-T99 PolarHBondContact OD1-N 2.97Å; N97-T99 PolarHBondContact OD1-OG1 2.96Å; N97-A100 HydrophobicContact CB-CB 4.23Å; N97-A100 WeakPolarHBondContact O-CB 3.46Å; N97-A100 PolarHBondContact O-N 3.47Å; N97-L101 PolarHBondContact O-N 3.09Å
98	P	37.7	Very low	39.2	Very low	92 Å²	92	96.8 Å²	96.8	60%	0.597	50%	0.502	S	S	*	.	H	α-helix	trans	-59	-25.1	177.9	23	-32.4	0	0	0	113.1	L101 N102	P98-L101 PolarHBondContact O-N 3.37Å; P98-N102 PolarHBondContact O-N 3.24Å
99	T	44.2	Very low	39.7	Very low	79 Å²	79	98.4 Å²	98.4	49%	0.485	50%	0.504	S	S	.	.	H	α-helix	trans	-68	-36.1	174.6	-53.7	0	0	0	0	112	N97 K103	N97-T99 PolarHBondContact O-N 3.2Å; N97-T99 VanDerWaalsContact O-N 3.13Å; N97-T99 WeakPolarHBondContact OD1-CB 3.39Å; N97-T99 PolarHBondContact OD1-N 2.97Å; N97-T99 PolarHBondContact OD1-OG1 2.96Å; T99-K103 WeakPolarHBondContact O-CG 3.38Å; T99-K103 PolarHBondContact O-N 3.33Å
100	A	40.5	Very low	40.2	Very low	40 Å²	40	96.5 Å²	96.5	33%	0.331	49%	0.488	S	S	.	.	H	α-helix	trans	-69.2	-38.7	176.5	0	0	0	0	0	111.3	N97 K103 S104	N97-A100 HydrophobicContact CB-CB 4.23Å; N97-A100 WeakPolarHBondContact O-CB 3.46Å; N97-A100 PolarHBondContact O-N 3.47Å; A100-K103 PolarHBondContact O-N 2.92Å; A100-S104 WeakPolarHBondContact O-CB 3.33Å; A100-S104 PolarHBondContact O-N 2.93Å
101	L	42.1	Very low	40.3	Very low	56 Å²	56	101.4 Å²	101.4	29%	0.293	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-49	174	-178.8	64.9	0	0	0	111.2	W92 N97 P98 K103 S104 I105	W92-L101 HydrophobicContact CH2-CD1 3.98Å; W92-L101 HydrophobicContact CZ3-CD1 3.77Å; N97-L101 PolarHBondContact O-N 3.09Å; P98-L101 PolarHBondContact O-N 3.37Å; L101-K103 PolarHBondContact O-N 3.15Å; L101-S104 WeakPolarHBondContact O-CB 3.21Å; L101-S104 PolarHBondContact O-N 3.43Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 3.47Å; L101-I105 HydrophobicContact CD1-CD1 4.25Å; L101-I105 HydrophobicContact CG-CD1 3.97Å; L101-I105 WeakPolarHBondContact O-CG1 3.33Å; L101-I105 PolarHBondContact O-N 3.25Å
102	N	45.9	Very low	40.7	Very low	90 Å²	90	98.7 Å²	98.7	48%	0.481	50%	0.5	S	S	.	.	H	α-helix	trans	-58.8	-45.3	178	-166.4	-8.2	0	0	0	111.6	P98 S104 I105 Q106	P98-N102 PolarHBondContact O-N 3.24Å; N102-S104 VanDerWaalsContact C-N 3.34Å; N102-S104 PolarHBondContact O-N 2.99Å; N102-I105 PolarHBondContact O-N 3.32Å; N102-Q106 WeakPolarHBondContact O-CG 3.33Å; N102-Q106 PolarHBondContact O-N 3.37Å; N102-Q106 PolarHBondContact OD1-NE2 3.23Å
103	K	48	Very low	41.1	Very low	119 Å²	119	97 Å²	97	52%	0.517	50%	0.5	S	S	.	.	H	α-helix	trans	-59.5	-41.8	173.8	-74.2	179.8	179.1	-175.9	0	112.2	T99 A100 L101 I105 Q106 L107	T99-K103 WeakPolarHBondContact O-CG 3.38Å; T99-K103 PolarHBondContact O-N 3.33Å; A100-K103 PolarHBondContact O-N 2.92Å; L101-K103 PolarHBondContact O-N 3.15Å; K103-I105 VanDerWaalsContact C-N 3.32Å; K103-I105 PolarHBondContact O-N 3.47Å; K103-Q106 PolarHBondContact O-N 2.9Å; K103-L107 WeakPolarHBondContact O-CG 3.31Å; K103-L107 PolarHBondContact O-N 3.35Å
104	S	44.1	Very low	41.3	Very low	34 Å²	34	93.7 Å²	93.7	24%	0.238	48%	0.479	C	S	.	.	H	α-helix	trans	-64.3	-35.4	177.7	85	0	0	0	0	113.2	A100 L101 N102 R108	A100-S104 WeakPolarHBondContact O-CB 3.33Å; A100-S104 PolarHBondContact O-N 2.93Å; L101-S104 WeakPolarHBondContact O-CB 3.21Å; L101-S104 PolarHBondContact O-N 3.43Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 3.47Å; N102-S104 VanDerWaalsContact C-N 3.34Å; N102-S104 PolarHBondContact O-N 2.99Å; S104-R108 PolarHBondContact O-N 3.49Å; S104-R108 VanDerWaalsContact O-N 3.11Å; S104-R108 PolarHBondContact O-NE 2.86Å; S104-R108 PolarHBondContact OG-NH2 3.32Å
105	I	47.6	Very low	41.5	Very low	50 Å²	50	91.4 Å²	91.4	26%	0.256	47%	0.471	S	S	.	.	H	α-helix	trans	-71.6	-42.8	177.7	-68.3	165.7	0	0	0	109.6	L101 N102 K103 L107 R108 R109	L101-I105 HydrophobicContact CD1-CD1 4.25Å; L101-I105 HydrophobicContact CG-CD1 3.97Å; L101-I105 WeakPolarHBondContact O-CG1 3.33Å; L101-I105 PolarHBondContact O-N 3.25Å; N102-I105 PolarHBondContact O-N 3.32Å; K103-I105 VanDerWaalsContact C-N 3.32Å; K103-I105 PolarHBondContact O-N 3.47Å; I105-L107 PolarHBondContact O-N 3.41Å; I105-R108 PolarHBondContact O-N 2.9Å; I105-R109 WeakPolarHBondContact O-CG 3.42Å; I105-R109 PolarHBondContact O-N 2.96Å
106	Q	47.3	Very low	41.7	Very low	108 Å²	108	90.7 Å²	90.7	51%	0.505	47%	0.466	S	S	.	.	H	α-helix	trans	-59.2	-46.8	174.8	-71	-178.7	13.1	0	0	111.5	N102 K103 R108 R109 I110	N102-Q106 WeakPolarHBondContact O-CG 3.33Å; N102-Q106 PolarHBondContact O-N 3.37Å; N102-Q106 PolarHBondContact OD1-NE2 3.23Å; K103-Q106 PolarHBondContact O-N 2.9Å; Q106-R108 VanDerWaalsContact C-N 3.29Å; Q106-R108 PolarHBondContact O-N 3.01Å; Q106-R109 PolarHBondContact O-N 3.48Å; Q106-I110 WeakPolarHBondContact O-CG1 3.47Å; Q106-I110 PolarHBondContact O-N 3.49Å
107	L	43.5	Very low	41.7	Very low	117 Å²	117	88.7 Å²	88.7	61%	0.613	45%	0.446	S	S	*	.	H	α-helix	trans	-61.7	-36	177.4	-71.5	171.4	0	0	0	112.8	K103 I105 R111	K103-L107 WeakPolarHBondContact O-CG 3.31Å; K103-L107 PolarHBondContact O-N 3.35Å; I105-L107 PolarHBondContact O-N 3.41Å; L107-R111 PolarHBondContact O-N 3.21Å
108	R	45.1	Very low	41.4	Very low	66 Å²	66	88.1 Å²	88.1	25%	0.249	44%	0.443	C	S	.	.	H	α-helix	trans	-68.6	-41.6	174.9	-94.2	-177.9	-80.9	-138.1	-3.6	113.3	Y90 S104 I105 Q106 I110 R111 H112	Y90-R108 PolarHBondContact OH-NH1 3.42Å; Y90-R108 PolarHBondContact OH-NH2 3.01Å; S104-R108 PolarHBondContact O-N 3.49Å; S104-R108 VanDerWaalsContact O-N 3.11Å; S104-R108 PolarHBondContact O-NE 2.86Å; S104-R108 PolarHBondContact OG-NH2 3.32Å; I105-R108 PolarHBondContact O-N 2.9Å; Q106-R108 VanDerWaalsContact C-N 3.29Å; Q106-R108 PolarHBondContact O-N 3.01Å; R108-I110 VanDerWaalsContact C-N 3.31Å; R108-I110 PolarHBondContact O-N 3.43Å; R108-R111 PolarHBondContact O-N 2.96Å; R108-H112 PolarHBondContact O-N 3.4Å
109	R	42.4	Very low	41.4	Very low	137 Å²	137	88.8 Å²	88.8	52%	0.517	44%	0.44	S	S	.	.	H	α-helix	trans	-61.9	-41.5	175.1	-73.8	-179.9	177.6	178	1.2	111.3	I105 Q106 R111 H112 I113	I105-R109 WeakPolarHBondContact O-CG 3.42Å; I105-R109 PolarHBondContact O-N 2.96Å; Q106-R109 PolarHBondContact O-N 3.48Å; R109-R111 VanDerWaalsContact C-N 3.35Å; R109-R111 PolarHBondContact O-N 3.18Å; R109-H112 PolarHBondContact O-N 2.98Å; R109-I113 WeakPolarHBondContact O-CD1 3.29Å; R109-I113 VanDerWaalsContact O-CG1 3.28Å; R109-I113 WeakPolarHBondContact O-CG1 3.27Å; R109-I113 PolarHBondContact O-N 2.99Å
110	I	39.1	Very low	41.2	Very low	96 Å²	96	89.8 Å²	89.8	49%	0.492	44%	0.441	S	S	.	.	H	α-helix	trans	-61.2	-43.8	174.5	-66.3	164.8	0	0	0	110.8	Q106 R108 I113 H114	Q106-I110 WeakPolarHBondContact O-CG1 3.47Å; Q106-I110 PolarHBondContact O-N 3.49Å; R108-I110 VanDerWaalsContact C-N 3.31Å; R108-I110 PolarHBondContact O-N 3.43Å; I110-I113 PolarHBondContact O-N 3.34Å; I110-H114 PolarHBondContact O-N 3.4Å; I110-H114 VanDerWaalsContact O-N 3.08Å
111	R	36.1	Very low	41.3	Very low	178 Å²	178	94.9 Å²	94.9	67%	0.672	46%	0.456	S	S	*	.	H	α-helix	trans	-63.4	-44.7	178	-165	176	-65.3	-143.6	-1.1	112.4	L107 R108 R109 I113 H114 D115	L107-R111 PolarHBondContact O-N 3.21Å; R108-R111 PolarHBondContact O-N 2.96Å; R109-R111 VanDerWaalsContact C-N 3.35Å; R109-R111 PolarHBondContact O-N 3.18Å; R111-I113 VanDerWaalsContact C-N 3.34Å; R111-I113 PolarHBondContact O-N 2.96Å; R111-H114 WeakPolarHBondContact O-CB 3.47Å; R111-H114 PolarHBondContact O-N 2.98Å; R111-H114 VanDerWaalsContact O-N 3.07Å; R111-D115 PolarHBondContact O-N 3.44Å
112	H	37.9	Very low	41.4	Very low	116 Å²	116	99 Å²	99	54%	0.537	48%	0.479	S	S	.	.	H	α-helix	trans	-60.6	-41.2	177	-171	-86.3	0	0	0	112.3	R108 R109 H114 D115 C116	R108-H112 PolarHBondContact O-N 3.4Å; R109-H112 PolarHBondContact O-N 2.98Å; H112-H114 VanDerWaalsContact C-N 3.3Å; H112-H114 PolarHBondContact O-N 3.04Å; H112-D115 PolarHBondContact O-N 3.02Å; H112-C116 VanDerWaalsContact CE1-SG 3.55Å; H112-C116 PolarHBondContact O-N 2.94Å; H112-C116 PolarHBondContact O-SG 3.24Å
113	I	41.3	Very low	41.2	Very low	95 Å²	95	100.3 Å²	100.3	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-61.3	-41.4	173.9	-67.5	163.8	0	0	0	110.7	R109 I110 R111 N117	R109-I113 WeakPolarHBondContact O-CD1 3.29Å; R109-I113 VanDerWaalsContact O-CG1 3.28Å; R109-I113 WeakPolarHBondContact O-CG1 3.27Å; R109-I113 PolarHBondContact O-N 2.99Å; I110-I113 PolarHBondContact O-N 3.34Å; R111-I113 VanDerWaalsContact C-N 3.34Å; R111-I113 PolarHBondContact O-N 2.96Å; I113-N117 WeakPolarHBondContact O-CB 3.42Å; I113-N117 PolarHBondContact O-N 3.45Å; I113-N117 PolarHBondContact O-ND2 3.06Å
114	H	38.7	Very low	40.7	Very low	89 Å²	89	100.5 Å²	100.5	41%	0.412	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-38.5	179.2	-158.9	-72.2	0	0	0	112.4	I110 R111 H112 N117 N118	I110-H114 PolarHBondContact O-N 3.4Å; I110-H114 VanDerWaalsContact O-N 3.08Å; R111-H114 WeakPolarHBondContact O-CB 3.47Å; R111-H114 PolarHBondContact O-N 2.98Å; R111-H114 VanDerWaalsContact O-N 3.07Å; H112-H114 VanDerWaalsContact C-N 3.3Å; H112-H114 PolarHBondContact O-N 3.04Å; H114-N117 PolarHBondContact O-N 2.97Å; H114-N118 PolarHBondContact ND1-ND2 3.42Å; H114-N118 PolarHBondContact O-N 2.78Å
115	D	39.6	Very low	40.3	Very low	83 Å²	83	105.7 Å²	105.7	44%	0.444	52%	0.517	S	S	.	.	H	α-helix	trans	-68.9	-43	177.4	-66.1	-25.9	0	0	0	111.4	R111 H112 N117 N118 I119	R111-D115 PolarHBondContact O-N 3.44Å; H112-D115 PolarHBondContact O-N 3.02Å; D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.36Å; D115-N118 PolarHBondContact O-N 2.83Å; D115-I119 WeakPolarHBondContact O-CG1 3.22Å; D115-I119 PolarHBondContact O-N 3.32Å; D115-I119 VanDerWaalsContact O-N 3.07Å
116	C	35.7	Very low	39.6	Very low	50 Å²	50	110.1 Å²	110.1	34%	0.338	54%	0.542	S	S	.	.	H	α-helix	trans	-61.4	-40.3	173.2	-66	0	0	0	0	112.2	H112 N118 I119 I120	H112-C116 VanDerWaalsContact CE1-SG 3.55Å; H112-C116 PolarHBondContact O-N 2.94Å; H112-C116 PolarHBondContact O-SG 3.24Å; C116-N118 PolarHBondContact O-N 2.97Å; C116-I119 PolarHBondContact O-N 3.13Å; C116-I120 WeakPolarHBondContact O-CD1 3.48Å; C116-I120 WeakPolarHBondContact O-CG1 3.45Å; C116-I120 PolarHBondContact O-N 2.96Å
117	N	37	Very low	38.7	Very low	82 Å²	82	111 Å²	111	44%	0.439	55%	0.554	S	S	.	*	H	α-helix	trans	-68.1	-32.8	177.9	-74.2	-21.8	0	0	0	113.1	I113 H114 D115 K121	I113-N117 WeakPolarHBondContact O-CB 3.42Å; I113-N117 PolarHBondContact O-N 3.45Å; I113-N117 PolarHBondContact O-ND2 3.06Å; H114-N117 PolarHBondContact O-N 2.97Å; D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.36Å; N117-K121 WeakPolarHBondContact O-CG 3.37Å; N117-K121 PolarHBondContact O-N 3Å
118	N	35.8	Very low	38	Very low	73 Å²	73	110.8 Å²	110.8	39%	0.39	56%	0.557	S	S	.	*	H	α-helix	trans	-71.7	-35.7	174.5	-79.5	-18.8	0	0	0	112.3	H114 D115 C116 K121	H114-N118 PolarHBondContact ND1-ND2 3.42Å; H114-N118 PolarHBondContact O-N 2.78Å; D115-N118 PolarHBondContact O-N 2.83Å; C116-N118 PolarHBondContact O-N 2.97Å; N118-K121 PolarHBondContact O-N 2.89Å
119	I	37.6	Very low	37.2	Very low	107 Å²	107	115.8 Å²	115.8	55%	0.549	58%	0.584	S	S	.	*	H	α-helix	trans	-66.7	-40.4	174.4	-66.1	164.6	0	0	0	110.6	D115 C116 K121 N122	D115-I119 WeakPolarHBondContact O-CG1 3.22Å; D115-I119 PolarHBondContact O-N 3.32Å; D115-I119 VanDerWaalsContact O-N 3.07Å; C116-I119 PolarHBondContact O-N 3.13Å; I119-K121 PolarHBondContact O-N 3.08Å; I119-N122 PolarHBondContact O-N 3.46Å
120	I	40.7	Very low	36.6	Very low	99 Å²	99	116.8 Å²	116.8	51%	0.508	60%	0.599	S	S	.	*	H	α-helix	trans	-65.2	-38.4	178.7	-67.6	163.3	0	0	0	111.4	C116 N122 N123 N124	C116-I120 WeakPolarHBondContact O-CD1 3.48Å; C116-I120 WeakPolarHBondContact O-CG1 3.45Å; C116-I120 PolarHBondContact O-N 2.96Å; I120-N122 VanDerWaalsContact C-N 3.27Å; I120-N122 PolarHBondContact O-N 3.35Å; I120-N123 PolarHBondContact O-N 3.39Å; I120-N124 PolarHBondContact O-OD1 3.42Å; I120-N124 VanDerWaalsContact O-OD1 3.12Å
121	K	41.4	Very low	36	Very low	148 Å²	148	119 Å²	119	64%	0.643	62%	0.616	S	S	*	*	H	α-helix	trans	-65.2	-25.1	178.6	-77.5	179	179.6	179.5	0	114.4	N117 N118 I119	N117-K121 WeakPolarHBondContact O-CG 3.37Å; N117-K121 PolarHBondContact O-N 3Å; N118-K121 PolarHBondContact O-N 2.89Å; I119-K121 PolarHBondContact O-N 3.08Å
122	N	45.1	Very low	35.7	Very low	143 Å²	143	118.7 Å²	118.7	77%	0.765	62%	0.622	S	S	*	*	H	α-helix	trans	-88.2	-10.6	-179.8	-77.1	-9.6	0	0	0	114.1	I119 I120	I119-N122 PolarHBondContact O-N 3.46Å; I120-N122 VanDerWaalsContact C-N 3.27Å; I120-N122 PolarHBondContact O-N 3.35Å
123	N	41.8	Very low	35.2	Very low	116 Å²	116	120.1 Å²	120.1	62%	0.62	63%	0.634	S	S	*	*			trans	-116.1	26.9	-171.3	-75.8	-12.8	0	0	0	113.9	I120 N125	I120-N123 PolarHBondContact O-N 3.39Å; N123-N125 PolarHBondContact O-N 3.42Å
124	N	36.5	Very low	34.7	Very low	123 Å²	123	121.4 Å²	121.4	66%	0.658	64%	0.641	S	S	*	*			trans	-69	30.5	-172	-78.3	-15.6	0	0	0	117	I120	I120-N124 PolarHBondContact O-OD1 3.42Å; I120-N124 VanDerWaalsContact O-OD1 3.12Å
125	N	36	Very low	34.2	Very low	144 Å²	144	125.5 Å²	125.5	77%	0.77	66%	0.657	S	S	*	*	S	Bend	trans	-119.3	97.3	162.6	-69.7	-16.8	0	0	0	108.5	N123	N123-N125 PolarHBondContact O-N 3.42Å
126	N	33.6	Very low	33.7	Very low	143 Å²	143	128.7 Å²	128.7	77%	0.765	66%	0.664	S	S	*	*	S	Bend	trans	96.2	107.7	168	-51.2	-31.1	0	0	0	117.3
127	T	28.1	Very low	33.4	Very low	125 Å²	125	131.9 Å²	131.9	77%	0.767	69%	0.685	S	S	*	*			trans	76.9	114.2	131.7	52.9	0	0	0	0	120.5
128	V	27.7	Very low	33.1	Very low	113 Å²	113	134 Å²	134	69%	0.685	70%	0.7	S	S	*	*				85.2	112.1	122.1	176.7	0	0	0	0	117.6
129	Q	28.6	Very low	33	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.804	72%	0.715	S	S	*	*			trans	51.6	99.3	143.2	-66.9	173.2	-9.4	0	0	118.4
130	L	30.1	Very low	32.5	Very low	158 Å²	158	138.1 Å²	138.1	83%	0.827	72%	0.723	S	S	*	*			trans	-157.3	75.6	139	-87.9	-178.4	0	0	0	108.5
131	V	27.2	Very low	32	Very low	141 Å²	141	140.8 Å²	140.8	86%	0.855	74%	0.739	S	S	*	*			trans	-118.8	72.2	163.1	-174.7	0	0	0	0	107.1	N133	V131-N133 PolarHBondContact O-N 3.07Å
132	E	29.7	Very low	31.5	Very low	173 Å²	173	137.7 Å²	137.7	81%	0.808	74%	0.736	S	S	*	*			trans	-83.3	95.8	164	-83.5	-171.8	153	0	0	109.1	I134	E132-I134 PolarHBondContact O-N 3.24Å
133	N	27.3	Very low	30.7	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	74%	0.742	S	S	*	*			trans	25.9	92.4	135.7	-71.2	-22.5	0	0	0	118.4	V131	V131-N133 PolarHBondContact O-N 3.07Å
134	I	31.6	Very low	30.2	Very low	123 Å²	123	139.7 Å²	139.7	63%	0.631	75%	0.745	S	S	*	*			trans	-143.5	71.9	146.3	-48.2	179.2	0	0	0	110.3	E132 Y136	E132-I134 PolarHBondContact O-N 3.24Å; I134-Y136 HydrophobicContact CG2-CD2 3.61Å; I134-Y136 HydrophobicContact CG2-CE2 3.15Å
135	F	27.5	Very low	29.8	Very low	174 Å²	174	140.3 Å²	140.3	76%	0.763	75%	0.748	S	S	*	*			trans	-93.4	115.2	161.5	-124.1	-90	0	0	0	107.2	L196	F135-L196 HydrophobicContact CZ-CD1 4.4Å
136	Y	29.7	Very low	29.4	Very low	150 Å²	150	141.8 Å²	141.8	59%	0.588	75%	0.753	S	S	*	*			trans	-97.7	138.5	167.7	-73.6	-75.2	0	0	0	109.6	I134 T138	I134-Y136 HydrophobicContact CG2-CD2 3.61Å; I134-Y136 HydrophobicContact CG2-CE2 3.15Å; Y136-T138 PolarHBondContact O-N 3.41Å
137	P	29.5	Very low	29.3	Very low	118 Å²	118	141.8 Å²	141.8	77%	0.766	75%	0.751	S	S	*	*			trans	-71.7	118.9	170.5	29	-29.3	0	0	0	108.8	N139	P137-N139 PolarHBondContact O-N 3.3Å
138	T	30.4	Very low	29.3	Very low	125 Å²	125	140.1 Å²	140.1	77%	0.767	74%	0.741	S	S	*	*			trans	-64.8	111.8	159.5	45.2	0	0	0	0	106.6	Y136 N140	Y136-T138 PolarHBondContact O-N 3.41Å; T138-N140 PolarHBondContact O-N 2.76Å
139	N	32.5	Very low	29.5	Very low	132 Å²	132	142 Å²	142	71%	0.706	75%	0.746	S	S	*	*			trans	-64	129	168	81.2	0	0	0	0	107.3	P137	P137-N139 PolarHBondContact O-N 3.3Å
140	N	28	Very low	29.5	Very low	135 Å²	135	140.1 Å²	140.1	72%	0.722	74%	0.742	S	S	*	*	S	Bend	trans	-69.5	142.4	165.3	-64.9	-24.3	0	0	0	106.6	T138	T138-N140 PolarHBondContact O-N 2.76Å
141	N	29.8	Very low	29.7	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	74%	0.741	S	S	*	*			trans	102.1	68.9	178.9	-49.4	-8.6	0	0	0	114.7
142	S	31.9	Very low	29.7	Very low	83 Å²	83	138.5 Å²	138.5	58%	0.58	73%	0.734	S	S	*	*			trans	-148.3	106.5	137.1	50.2	0	0	0	0	108.6	I144	S142-I144 PolarHBondContact O-N 2.91Å
143	D	26.8	Very low	29.7	Very low	166 Å²	166	140.8 Å²	140.8	89%	0.888	74%	0.735	S	S	*	*			trans	-53.2	104	160	-62.6	-47.4	0	0	0	107.5
144	I	31.6	Very low	30	Very low	135 Å²	135	143.6 Å²	143.6	69%	0.692	74%	0.744	S	S	*	*			trans	-119.1	95.7	168.5	-60.4	180	0	0	0	106.1	S142	S142-I144 PolarHBondContact O-N 2.91Å
145	D	28.2	Very low	30	Very low	136 Å²	136	147.6 Å²	147.6	73%	0.727	76%	0.757	S	S	*	*			trans	-35.6	135.5	173	-72.3	-43.9	0	0	0	112.9	I147	D145-I147 VanDerWaalsContact C-N 3.27Å; D145-I147 PolarHBondContact O-N 3.33Å
146	M	28.6	Very low	30.5	Very low	176 Å²	176	145 Å²	145	87%	0.867	76%	0.76	S	S	*	*			trans	-58.7	91.3	160.8	-75.8	-124.7	-57	0	0	109.4	T148	M146-T148 PolarHBondContact O-N 2.76Å
147	I	30.7	Very low	30.6	Very low	143 Å²	143	149.6 Å²	149.6	73%	0.733	78%	0.777	S	S	*	*			trans	-75.5	90.3	163.3	-58.3	178.1	0	0	0	107.1	D145 L149	D145-I147 VanDerWaalsContact C-N 3.27Å; D145-I147 PolarHBondContact O-N 3.33Å; I147-L149 PolarHBondContact O-N 3.03Å
148	T	27.3	Very low	31	Very low	90 Å²	90	154.1 Å²	154.1	55%	0.552	78%	0.784	S	S	*	*			trans	-52	108.6	157.7	-52.7	0	0	0	0	108.8	M146 N150	M146-T148 PolarHBondContact O-N 2.76Å; T148-N150 HydrophobicContact CG2-CB 4.25Å; T148-N150 PolarHBondContact O-N 2.82Å
149	L	32.7	Very low	31	Very low	151 Å²	151	159 Å²	159	79%	0.791	79%	0.789	S	S	*	*			trans	-77.2	73.4	167.6	-77	168.8	0	0	0	109.4	I147	I147-L149 PolarHBondContact O-N 3.03Å
150	N	28.2	Very low	31	Very low	133 Å²	133	157.8 Å²	157.8	71%	0.711	79%	0.79	S	S	*	*			trans	-91.8	100.8	154.9	-81.3	-21.2	0	0	0	107.2	T148	T148-N150 HydrophobicContact CG2-CB 4.25Å; T148-N150 PolarHBondContact O-N 2.82Å
151	T	33.7	Very low	31.1	Very low	132 Å²	132	161.6 Å²	161.6	81%	0.81	79%	0.794	S	S	*	*			trans	-118.4	84	161.5	36.9	0	0	0	0	109.4
152	D	28.4	Very low	31.3	Very low	133 Å²	133	161.6 Å²	161.6	71%	0.711	79%	0.793	S	S	*	*			trans	-56.3	134.4	158.7	-105.3	-48	0	0	0	110.9
153	R	28.9	Very low	31.2	Very low	221 Å²	221	162.4 Å²	162.4	83%	0.834	80%	0.799	S	S	*	*			trans	33.7	112.4	140.8	-69	171.5	157.7	149.4	-4.8	117.5
154	Q	34.5	Very low	31.5	Very low	204 Å²	204	163.5 Å²	163.5	95%	0.953	80%	0.798	S	S	*	*				-159.8	145.6	120.7	-109.1	179.9	46.6	0	0	113.6
155	K	30.7	Very low	31.5	Very low	207 Å²	207	165.9 Å²	165.9	90%	0.9	80%	0.804	S	S	*	*			trans	-76.3	132.8	-169.2	-64.4	162.1	173.8	171.4	0	111.3
156	S	39.1	Very low	31.8	Very low	119 Å²	119	164.8 Å²	164.8	83%	0.832	81%	0.807	S	S	*	*			trans	-155	104.2	146.5	55	0	0	0	0	111.7
157	R	31.5	Very low	32.2	Very low	248 Å²	248	162.6 Å²	162.6	94%	0.936	81%	0.806	S	S	*	*			trans	-57.1	128.9	162.5	-83	169.4	152.8	157.2	-7.8	109.8
158	K	37	Very low	32.2	Very low	212 Å²	212	167.8 Å²	167.8	92%	0.922	82%	0.816	S	S	*	*				-172.5	140.1	128.2	-102.6	167.6	-175.7	-178	0	110.9
159	R	30.2	Very low	32.3	Very low	229 Å²	229	169.5 Å²	169.5	86%	0.864	83%	0.831	S	S	*	*			trans	-67.6	141	-167.7	-68.4	166	164.4	170.9	-5.9	112.8
160	S	33.1	Very low	32.2	Very low	105 Å²	105	167.1 Å²	167.1	73%	0.734	83%	0.826	S	S	*	*			trans	-138.6	121.5	140.2	-180	0	0	0	0	108.2
161	R	30.4	Very low	32.4	Very low	216 Å²	216	171.4 Å²	171.4	82%	0.815	83%	0.834	S	S	*	*			trans	-79.5	119.3	176.8	-63.9	171.8	-177.9	157.3	-2.1	107.2
162	I	33.3	Very low	32.5	Very low	154 Å²	154	171.5 Å²	171.5	79%	0.79	83%	0.828	S	S	*	*			trans	-155.6	125.3	154.4	-85.2	121.3	0	0	0	109.2
163	S	31.3	Very low	33	Very low	101 Å²	101	170.6 Å²	170.6	71%	0.706	83%	0.83	S	S	*	*			trans	67.3	109.2	153.8	-159.9	0	0	0	0	121.1	F165	S163-F165 PolarHBondContact O-N 3.02Å
164	Q	32.4	Very low	33.8	Very low	189 Å²	189	169.5 Å²	169.5	88%	0.883	83%	0.831	S	S	*	*			trans	-90.4	45.8	177.3	-72.4	177.7	-43.4	0	0	114
165	F	31.5	Very low	34.2	Very low	185 Å²	185	168.8 Å²	168.8	81%	0.811	83%	0.828	S	S	*	*			trans	-135.9	82.8	175.4	-73	-78.5	0	0	0	112.5	S163	S163-F165 PolarHBondContact O-N 3.02Å
166	S	33.9	Very low	34.5	Very low	113 Å²	113	168.9 Å²	168.9	79%	0.79	83%	0.828	S	S	*	*			trans	-152.7	126.7	155.3	-92.8	0	0	0	0	109.9	R168	S166-R168 PolarHBondContact O-N 3.29Å
167	P	37.8	Very low	34.4	Very low	129 Å²	129	166.4 Å²	166.4	84%	0.838	81%	0.811	S	S	*	*			trans	-68.2	132	-175.5	27.5	-32.2	0	0	0	110.6	C169	P167-C169 PolarHBondContact O-N 3.34Å; P167-C169 VanDerWaalsContact O-N 3.08Å
168	R	30.2	Very low	35.2	Very low	252 Å²	252	159.7 Å²	159.7	95%	0.951	80%	0.801	S	S	*	*			trans	-59.4	107.6	172.2	-82.6	-179.9	169.6	175	-3.3	109.7	S166 S170	S166-R168 PolarHBondContact O-N 3.29Å; R168-S170 PolarHBondContact O-N 3.5Å
169	C	29.5	Very low	35.5	Very low	127 Å²	127	153.9 Å²	153.9	86%	0.858	79%	0.788	S	S	*	*			trans	-79.5	108	168.3	-151.2	0	0	0	0	108.8	P167	P167-C169 PolarHBondContact O-N 3.34Å; P167-C169 VanDerWaalsContact O-N 3.08Å
170	S	30	Very low	36	Very low	100 Å²	100	144.9 Å²	144.9	70%	0.699	76%	0.76	S	S	*	*			trans	-70.2	123.1	174.4	48.2	0	0	0	0	110.7	R168 I172	R168-S170 PolarHBondContact O-N 3.5Å; S170-I172 PolarHBondContact O-N 3.48Å
171	Y	33.4	Very low	36.9	Very low	224 Å²	224	146.5 Å²	146.5	88%	0.878	76%	0.759	S	S	*	*			trans	-77.1	112.1	174.8	-141.5	-96.7	0	0	0	109.3
172	I	34.6	Very low	37.9	Very low	134 Å²	134	141.5 Å²	141.5	69%	0.687	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-94.8	120.3	167.9	-60.1	174.2	0	0	0	107	S170 K174	S170-I172 PolarHBondContact O-N 3.48Å; I172-K174 PolarHBondContact O-N 3.19Å
173	P	39.6	Very low	39.1	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-67	117.5	171.9	-10.1	24.9	0	0	0	109
174	K	45.4	Very low	40.6	Very low	198 Å²	198	136.2 Å²	136.2	86%	0.861	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-87.8	131.9	170.7	-78.6	-171.3	175.3	-176.3	0	110	I172	I172-K174 PolarHBondContact O-N 3.19Å
175	E	43.7	Very low	42.8	Very low	189 Å²	189	131 Å²	131	88%	0.883	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-56	148.7	175.3	-65.8	176.4	160.2	0	0	112	S177	E175-S177 PolarHBondContact O-N 3.12Å; E175-S177 VanDerWaalsContact O-N 3.15Å
176	K	37	Very low	45	Very low	209 Å²	209	129.7 Å²	129.7	91%	0.909	70%	0.702	S	S	*	*			trans	-59.5	114.8	-177.3	-66.8	179.7	178.4	-179.8	0	110.2
177	S	37.5	Very low	47.4	Very low	67 Å²	67	130 Å²	130	47%	0.469	70%	0.695	S	S	.	*			trans	-72.4	130.7	172.7	49.7	0	0	0	0	110.4	E175 S179 S180	E175-S177 PolarHBondContact O-N 3.12Å; E175-S177 VanDerWaalsContact O-N 3.15Å; S177-S179 PolarHBondContact O-N 3.32Å; S177-S180 WeakPolarHBondContact O-CB 3.43Å; S177-S180 PolarHBondContact O-N 2.8Å; S177-S180 PolarHBondContact O-OG 2.85Å; S177-S180 PolarHBondContact OG-OG 3.01Å; S177-S180 VanDerWaalsContact OG-OG 3.09Å
178	S	46.8	Very low	49.1	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-13.6	173.5	51.1	0	0	0	0	113.8	S180 S183	S178-S180 VanDerWaalsContact C-N 3.32Å; S178-S183 PolarHBondContact O-OG 3.49Å
179	S	44.4	Very low	51.2	Low	90 Å²	90	120.5 Å²	120.5	63%	0.629	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	2.8	175.6	-34.2	0	0	0	0	114.1	S177	S177-S179 PolarHBondContact O-N 3.32Å
180	S	39.8	Very low	53.7	Low	41 Å²	41	118.5 Å²	118.5	29%	0.287	63%	0.633	S	S	.	*	S	Bend	trans	-80.3	130.1	176.2	-64.5	0	0	0	0	109.8	S177 S178 S182 S183	S177-S180 WeakPolarHBondContact O-CB 3.43Å; S177-S180 PolarHBondContact O-N 2.8Å; S177-S180 PolarHBondContact O-OG 2.85Å; S177-S180 PolarHBondContact OG-OG 3.01Å; S177-S180 VanDerWaalsContact OG-OG 3.09Å; S178-S180 VanDerWaalsContact C-N 3.32Å; S180-S182 WeakPolarHBondContact CB-OG 3.47Å; S180-S182 PolarHBondContact O-N 3.28Å; S180-S183 WeakPolarHBondContact O-CB 3.41Å; S180-S183 PolarHBondContact O-N 3.05Å; S180-S183 PolarHBondContact O-OG 3.43Å
181	I	51.8	Low	56.2	Low	139 Å²	139	118 Å²	118	71%	0.713	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-47.7	-22	173.5	-3.1	172.2	0	0	0	113.9	S183 L184	I181-S183 PolarHBondContact O-N 3.32Å; I181-L184 HydrophobicContact CG2-CD1 4.17Å
182	S	52.7	Low	58.3	Low	111 Å²	111	111.6 Å²	111.6	78%	0.776	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-71.7	-0.6	172.3	60.3	0	0	0	0	115.2	S180	S180-S182 WeakPolarHBondContact CB-OG 3.47Å; S180-S182 PolarHBondContact O-N 3.28Å
183	S	56.8	Low	60.5	Low	68 Å²	68	109.5 Å²	109.5	48%	0.476	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-96.9	-9.5	176.1	64.5	0	0	0	0	113.9	S178 S180 I181	S178-S183 PolarHBondContact O-OG 3.49Å; S180-S183 WeakPolarHBondContact O-CB 3.41Å; S180-S183 PolarHBondContact O-N 3.05Å; S180-S183 PolarHBondContact O-OG 3.43Å; I181-S183 PolarHBondContact O-N 3.32Å
184	L	63.7	Low	62.7	Low	75 Å²	75	110.3 Å²	110.3	39%	0.393	58%	0.582	S	S	.	*			trans	-71.2	131.4	178.5	-63.8	174.3	0	0	0	110.1	I181 E188 I189	I181-L184 HydrophobicContact CG2-CD1 4.17Å; L184-E188 WeakPolarHBondContact CA-OE2 3.12Å; L184-E188 HydrophobicContact CD2-CB 4.38Å; L184-E188 WeakPolarHBondContact CD2-OE2 3.01Å; L184-I189 HydrophobicContact CB-CD1 4.47Å; L184-I189 HydrophobicContact CB-CG1 4.14Å
185	D	78.7	Confident	64.6	Low	80 Å²	80	107.3 Å²	107.3	43%	0.428	57%	0.569	S	S	.	*			trans	-83	167.5	171.6	74.9	32.1	0	0	0	112	N187 E188 I189	D185-N187 VanDerWaalsContact C-N 3.25Å; D185-N187 PolarHBondContact O-N 3.44Å; D185-N187 WeakPolarHBondContact OD1-CA 3.37Å; D185-N187 WeakPolarHBondContact OD1-CB 2.94Å; D185-N187 PolarHBondContact OD1-N 3Å; D185-E188 PolarHBondContact O-N 3.03Å; D185-E188 WeakPolarHBondContact OD1-CG 3.42Å; D185-E188 PolarHBondContact OD1-N 3.35Å; D185-I189 WeakPolarHBondContact O-CG1 3.25Å; D185-I189 PolarHBondContact O-N 3.08Å; D185-I189 VanDerWaalsContact O-N 3.08Å
186	E	78.5	Confident	66.6	Low	157 Å²	157	100.6 Å²	100.6	73%	0.734	54%	0.539	S	S	*	.	H	α-helix	trans	-62	-32.6	-177.4	-167.6	169.5	-168.5	0	0	112.4	I189 D190	E186-I189 PolarHBondContact O-N 3.39Å; E186-D190 PolarHBondContact O-N 3.35Å
187	N	82.3	Confident	68.8	Low	120 Å²	120	94.7 Å²	94.7	64%	0.642	52%	0.518	S	S	*	.	H	α-helix	trans	-71	-39.6	177.7	-64.7	-39	0	0	0	111.6	D185 I189 D190 E191	D185-N187 VanDerWaalsContact C-N 3.25Å; D185-N187 PolarHBondContact O-N 3.44Å; D185-N187 WeakPolarHBondContact OD1-CA 3.37Å; D185-N187 WeakPolarHBondContact OD1-CB 2.94Å; D185-N187 PolarHBondContact OD1-N 3Å; N187-I189 VanDerWaalsContact C-N 3.33Å; N187-D190 PolarHBondContact O-N 3.07Å; N187-E191 WeakPolarHBondContact O-CB 3.34Å; N187-E191 PolarHBondContact O-N 2.93Å
188	E	75.3	Confident	71.2	Confident	90 Å²	90	96.3 Å²	96.3	42%	0.421	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-39.5	175.8	-73.2	-177.1	163.4	0	0	111.1	L184 D185 E191 V192	L184-E188 WeakPolarHBondContact CA-OE2 3.12Å; L184-E188 HydrophobicContact CD2-CB 4.38Å; L184-E188 WeakPolarHBondContact CD2-OE2 3.01Å; D185-E188 PolarHBondContact O-N 3.03Å; D185-E188 WeakPolarHBondContact OD1-CG 3.42Å; D185-E188 PolarHBondContact OD1-N 3.35Å; E188-E191 PolarHBondContact O-N 3.44Å; E188-V192 VanDerWaalsContact O-CG2 3.28Å; E188-V192 WeakPolarHBondContact O-CG2 3.27Å; E188-V192 PolarHBondContact O-N 3.03Å
189	I	74.6	Confident	73	Confident	92 Å²	92	96.7 Å²	96.7	47%	0.472	52%	0.515	S	S	.	.	H	α-helix	trans	-62.7	-45.8	174.4	-66.7	168.6	0	0	0	110.4	L184 D185 E186 N187 E191 V192 Q193	L184-I189 HydrophobicContact CB-CD1 4.47Å; L184-I189 HydrophobicContact CB-CG1 4.14Å; D185-I189 WeakPolarHBondContact O-CG1 3.25Å; D185-I189 PolarHBondContact O-N 3.08Å; D185-I189 VanDerWaalsContact O-N 3.08Å; E186-I189 PolarHBondContact O-N 3.39Å; N187-I189 VanDerWaalsContact C-N 3.33Å; I189-E191 PolarHBondContact O-N 3.07Å; I189-V192 PolarHBondContact O-N 2.99Å; I189-Q193 WeakPolarHBondContact O-CB 3.45Å; I189-Q193 PolarHBondContact O-N 2.97Å
190	D	81.6	Confident	74.7	Confident	84 Å²	84	97.9 Å²	97.9	45%	0.449	51%	0.508	S	S	.	.	H	α-helix	trans	-62.6	-41.2	177.5	-88.9	-3.3	0	0	0	113	E186 N187 Q193 K194	E186-D190 PolarHBondContact O-N 3.35Å; N187-D190 PolarHBondContact O-N 3.07Å; D190-Q193 PolarHBondContact O-N 2.91Å; D190-K194 WeakPolarHBondContact O-CG 3.47Å; D190-K194 PolarHBondContact O-N 2.92Å
191	E	81.3	Confident	76.7	Confident	90 Å²	90	98.6 Å²	98.6	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-45.5	174	-90.5	-72.5	131.7	0	0	112.1	N187 E188 I189 Q193 K194 K195	N187-E191 WeakPolarHBondContact O-CB 3.34Å; N187-E191 PolarHBondContact O-N 2.93Å; E188-E191 PolarHBondContact O-N 3.44Å; I189-E191 PolarHBondContact O-N 3.07Å; E191-Q193 VanDerWaalsContact C-N 3.31Å; E191-Q193 PolarHBondContact O-N 3.41Å; E191-K194 PolarHBondContact O-N 3.07Å; E191-K195 WeakPolarHBondContact O-CG 3.25Å; E191-K195 PolarHBondContact O-N 3.26Å; E191-K195 WeakPolarHBondContact OE2-CE 3.42Å; E191-K195 IonicContact OE2-NZ 3.27Å; E191-K195 PolarHBondContact OE2-NZ 3.21Å
192	V	77.6	Confident	78.3	Confident	90 Å²	90	95.9 Å²	95.9	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-41.1	176.3	170.5	0	0	0	0	110.5	E188 I189 K195 L196	E188-V192 VanDerWaalsContact O-CG2 3.28Å; E188-V192 WeakPolarHBondContact O-CG2 3.27Å; E188-V192 PolarHBondContact O-N 3.03Å; I189-V192 PolarHBondContact O-N 2.99Å; V192-K195 PolarHBondContact O-N 2.93Å; V192-L196 WeakPolarHBondContact O-CB 3.27Å; V192-L196 PolarHBondContact O-N 3.41Å
193	Q	80.7	Confident	79.6	Confident	89 Å²	89	97.8 Å²	97.8	42%	0.416	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-42.5	178.5	-171	61.1	40.7	0	0	112.1	I189 D190 E191 K195 L196 N197	I189-Q193 WeakPolarHBondContact O-CB 3.45Å; I189-Q193 PolarHBondContact O-N 2.97Å; D190-Q193 PolarHBondContact O-N 2.91Å; E191-Q193 VanDerWaalsContact C-N 3.31Å; E191-Q193 PolarHBondContact O-N 3.41Å; Q193-K195 PolarHBondContact O-N 3.11Å; Q193-L196 PolarHBondContact O-N 3.25Å; Q193-N197 PolarHBondContact NE2-OD1 3.18Å; Q193-N197 VanDerWaalsContact O-CG 3.32Å; Q193-N197 PolarHBondContact O-N 3.41Å
194	K	85.5	Confident	80.8	Confident	131 Å²	131	99.3 Å²	99.3	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-59.8	-45.3	174.1	-75.2	172.8	-174.4	167.4	0	111.8	D190 E191 L196 N197 N198	D190-K194 WeakPolarHBondContact O-CG 3.47Å; D190-K194 PolarHBondContact O-N 2.92Å; E191-K194 PolarHBondContact O-N 3.07Å; K194-L196 PolarHBondContact O-N 3.09Å; K194-N197 PolarHBondContact O-N 3.5Å; K194-N198 PolarHBondContact O-N 3.19Å
195	K	86.4	Confident	81.7	Confident	135 Å²	135	100.7 Å²	100.7	59%	0.587	50%	0.5	S	S	*	.	H	α-helix	trans	-63.1	-41.2	177.7	-72.8	170.2	-174.5	160.5	0	111.9	E191 V192 Q193 N198 L199	E191-K195 WeakPolarHBondContact O-CG 3.25Å; E191-K195 PolarHBondContact O-N 3.26Å; E191-K195 WeakPolarHBondContact OE2-CE 3.42Å; E191-K195 IonicContact OE2-NZ 3.27Å; E191-K195 PolarHBondContact OE2-NZ 3.21Å; V192-K195 PolarHBondContact O-N 2.93Å; Q193-K195 PolarHBondContact O-N 3.11Å; K195-N198 PolarHBondContact O-N 3.11Å; K195-L199 PolarHBondContact O-N 3.34Å
196	L	85.6	Confident	81.7	Confident	48 Å²	48	100.5 Å²	100.5	25%	0.251	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-41.5	176.9	-174.9	64.7	0	0	0	112.1	F135 V192 Q193 K194 L199 K200	F135-L196 HydrophobicContact CZ-CD1 4.4Å; V192-L196 WeakPolarHBondContact O-CB 3.27Å; V192-L196 PolarHBondContact O-N 3.41Å; Q193-L196 PolarHBondContact O-N 3.25Å; K194-L196 PolarHBondContact O-N 3.09Å; L196-L199 PolarHBondContact O-N 2.7Å; L196-K200 WeakPolarHBondContact O-CG 3.38Å; L196-K200 PolarHBondContact O-N 2.97Å
197	N	82.5	Confident	81.9	Confident	85 Å²	85	98.9 Å²	98.9	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-64.7	-41.8	176.8	-72.7	-15.8	0	0	0	111.8	Q193 K194 K200 S201	Q193-N197 PolarHBondContact NE2-OD1 3.18Å; Q193-N197 VanDerWaalsContact O-CG 3.32Å; Q193-N197 PolarHBondContact O-N 3.41Å; K194-N197 PolarHBondContact O-N 3.5Å; N197-K200 PolarHBondContact O-N 3.05Å; N197-S201 PolarHBondContact O-N 3.49Å; N197-S201 VanDerWaalsContact O-N 3.14Å
198	N	88	Confident	81.8	Confident	102 Å²	102	97.4 Å²	97.4	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-44.7	175.6	-170	28.7	0	0	0	111.7	K194 K195 K200 S201 L202	K194-N198 PolarHBondContact O-N 3.19Å; K195-N198 PolarHBondContact O-N 3.11Å; N198-K200 VanDerWaalsContact C-N 3.34Å; N198-K200 PolarHBondContact O-N 3.12Å; N198-S201 WeakPolarHBondContact O-CB 3.45Å; N198-S201 PolarHBondContact O-N 3.43Å; N198-L202 PolarHBondContact O-N 3.42Å; N198-L202 VanDerWaalsContact O-N 3.07Å
199	L	84.4	Confident	82	Confident	114 Å²	114	99.4 Å²	99.4	60%	0.597	49%	0.494	S	S	*	.	H	α-helix	trans	-62.3	-40.3	178.8	-168.7	70.4	0	0	0	112.3	K195 L196 S201 L202 F203	K195-L199 PolarHBondContact O-N 3.34Å; L196-L199 PolarHBondContact O-N 2.7Å; L199-S201 VanDerWaalsContact C-N 3.34Å; L199-S201 PolarHBondContact O-N 2.75Å; L199-L202 PolarHBondContact O-N 2.97Å; L199-F203 PolarHBondContact O-N 3.05Å
200	K	81.1	Confident	82.1	Confident	114 Å²	114	100.2 Å²	100.2	50%	0.496	50%	0.498	S	S	.	.	H	α-helix	trans	-60.9	-42.3	174.5	-76.9	178.9	179.3	177.6	0	112	L196 N197 N198 F203 I204	L196-K200 WeakPolarHBondContact O-CG 3.38Å; L196-K200 PolarHBondContact O-N 2.97Å; N197-K200 PolarHBondContact O-N 3.05Å; N198-K200 VanDerWaalsContact C-N 3.34Å; N198-K200 PolarHBondContact O-N 3.12Å; K200-F203 PolarHBondContact O-N 3.43Å; K200-I204 WeakPolarHBondContact O-CG1 3.22Å; K200-I204 PolarHBondContact O-N 3.36Å; K200-I204 VanDerWaalsContact O-N 3.16Å
201	S	82.2	Confident	81.7	Confident	57 Å²	57	101.1 Å²	101.1	40%	0.399	50%	0.503	S	S	.	.	H	α-helix	trans	-60.6	-46.5	176.7	-173.6	0	0	0	0	111.7	N197 N198 L199 F203 I204 Q205	N197-S201 PolarHBondContact O-N 3.49Å; N197-S201 VanDerWaalsContact O-N 3.14Å; N198-S201 WeakPolarHBondContact O-CB 3.45Å; N198-S201 PolarHBondContact O-N 3.43Å; L199-S201 VanDerWaalsContact C-N 3.34Å; L199-S201 PolarHBondContact O-N 2.75Å; S201-F203 VanDerWaalsContact C-N 3.35Å; S201-F203 PolarHBondContact O-N 3.15Å; S201-I204 PolarHBondContact O-N 3.15Å; S201-Q205 PolarHBondContact O-N 3.27Å; S201-Q205 VanDerWaalsContact O-N 3.08Å
202	L	84.6	Confident	81	Confident	81 Å²	81	101.1 Å²	101.1	42%	0.424	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-41.1	177.2	-71.3	170.6	0	0	0	112.4	N198 L199 I204 Q205 V206	N198-L202 PolarHBondContact O-N 3.42Å; N198-L202 VanDerWaalsContact O-N 3.07Å; L199-L202 PolarHBondContact O-N 2.97Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 2.82Å; L202-Q205 PolarHBondContact O-N 2.96Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.24Å
203	F	80.9	Confident	80.1	Confident	152 Å²	152	101.6 Å²	101.6	67%	0.667	52%	0.521	S	S	*	.	H	α-helix	trans	-63.9	-38.2	178.6	-163.5	-95.5	0	0	0	112.4	L199 K200 S201 V206 K207	L199-F203 PolarHBondContact O-N 3.05Å; K200-F203 PolarHBondContact O-N 3.43Å; S201-F203 VanDerWaalsContact C-N 3.35Å; S201-F203 PolarHBondContact O-N 3.15Å; F203-V206 PolarHBondContact O-N 3Å; F203-K207 WeakPolarHBondContact O-CB 3.18Å; F203-K207 PolarHBondContact O-N 2.81Å
204	I	80.9	Confident	78.7	Confident	100 Å²	100	102 Å²	102	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-64.6	-43.2	174.7	-66.7	166.5	0	0	0	110.6	K200 S201 L202 K207 N208	K200-I204 WeakPolarHBondContact O-CG1 3.22Å; K200-I204 PolarHBondContact O-N 3.36Å; K200-I204 VanDerWaalsContact O-N 3.16Å; S201-I204 PolarHBondContact O-N 3.15Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 2.82Å; I204-K207 PolarHBondContact O-N 3.35Å; I204-N208 WeakPolarHBondContact O-CB 3.13Å; I204-N208 VanDerWaalsContact O-CG 3.24Å; I204-N208 PolarHBondContact O-N 3.16Å
205	Q	82.3	Confident	76.5	Confident	103 Å²	103	101.3 Å²	101.3	48%	0.481	54%	0.54	S	S	.	.	H	α-helix	trans	-59.9	-47.4	176.8	-70.7	178.1	15.5	0	0	111.9	S201 L202 K207 N208 Q209	S201-Q205 PolarHBondContact O-N 3.27Å; S201-Q205 VanDerWaalsContact O-N 3.08Å; L202-Q205 PolarHBondContact O-N 2.96Å; Q205-K207 PolarHBondContact O-N 3.42Å; Q205-N208 PolarHBondContact O-N 3.04Å; Q205-Q209 WeakPolarHBondContact O-CG 3.43Å; Q205-Q209 PolarHBondContact O-N 3.29Å
206	V	80.4	Confident	74.6	Confident	76 Å²	76	102.4 Å²	102.4	46%	0.461	55%	0.552	S	S	.	*	H	α-helix	trans	-63.3	-43.1	178.3	173.6	0	0	0	0	111.2	L202 F203 N208 Q209 I210	L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.24Å; F203-V206 PolarHBondContact O-N 3Å; V206-N208 VanDerWaalsContact C-N 3.31Å; V206-N208 PolarHBondContact O-N 3.46Å; V206-Q209 PolarHBondContact O-N 3.35Å; V206-I210 HydrophobicContact CG1-CD1 3.94Å; V206-I210 WeakPolarHBondContact O-CG1 3.37Å; V206-I210 PolarHBondContact O-N 2.92Å
207	K	81.7	Confident	72.6	Confident	123 Å²	123	107 Å²	107	54%	0.535	58%	0.577	S	S	.	*	H	α-helix	trans	-60.4	-41.1	176.8	-173.3	179.3	179.5	-176.8	0	111.9	F203 I204 Q205 I210 N211	F203-K207 WeakPolarHBondContact O-CB 3.18Å; F203-K207 PolarHBondContact O-N 2.81Å; I204-K207 PolarHBondContact O-N 3.35Å; Q205-K207 PolarHBondContact O-N 3.42Å; K207-I210 PolarHBondContact O-N 3.36Å; K207-N211 PolarHBondContact O-N 2.95Å; K207-N211 PolarHBondContact O-ND2 3.46Å
208	N	81	Confident	70.7	Confident	89 Å²	89	110.4 Å²	110.4	48%	0.476	60%	0.596	S	S	.	*	H	α-helix	trans	-67.8	-39.6	177.4	-69.8	-12	0	0	0	111.7	I204 Q205 V206 I210 N211 S212	I204-N208 WeakPolarHBondContact O-CB 3.13Å; I204-N208 VanDerWaalsContact O-CG 3.24Å; I204-N208 PolarHBondContact O-N 3.16Å; Q205-N208 PolarHBondContact O-N 3.04Å; V206-N208 VanDerWaalsContact C-N 3.31Å; V206-N208 PolarHBondContact O-N 3.46Å; N208-I210 PolarHBondContact O-N 3.4Å; N208-N211 PolarHBondContact O-N 3.27Å; N208-S212 WeakPolarHBondContact O-CB 3.24Å; N208-S212 PolarHBondContact O-N 3.03Å; N208-S212 PolarHBondContact O-OG 3.15Å
209	Q	78.5	Confident	68.6	Low	132 Å²	132	113.7 Å²	113.7	62%	0.617	61%	0.613	S	S	*	*	H	α-helix	trans	-61.5	-43	175.4	-73.7	178.1	-1.1	0	0	112.6	Q205 V206 N211 S212 S213	Q205-Q209 WeakPolarHBondContact O-CG 3.43Å; Q205-Q209 PolarHBondContact O-N 3.29Å; V206-Q209 PolarHBondContact O-N 3.35Å; Q209-N211 VanDerWaalsContact C-N 3.33Å; Q209-N211 PolarHBondContact O-N 2.95Å; Q209-S212 PolarHBondContact O-N 3.19Å; Q209-S213 WeakPolarHBondContact O-CB 3.04Å; Q209-S213 PolarHBondContact O-N 3.02Å
210	I	76.5	Confident	66.8	Low	109 Å²	109	115.6 Å²	115.6	56%	0.559	62%	0.624	S	S	*	*	H	α-helix	trans	-63.4	-39.7	178.1	-66.7	166.8	0	0	0	111.2	V206 K207 N208	V206-I210 HydrophobicContact CG1-CD1 3.94Å; V206-I210 WeakPolarHBondContact O-CG1 3.37Å; V206-I210 PolarHBondContact O-N 2.92Å; K207-I210 PolarHBondContact O-N 3.36Å; N208-I210 PolarHBondContact O-N 3.4Å
211	N	73.6	Confident	64.9	Low	103 Å²	103	118.2 Å²	118.2	55%	0.551	64%	0.638	S	S	*	*	H	α-helix	trans	-73.1	-32.5	179.6	-68.2	-17.6	0	0	0	112.6	K207 N208 Q209	K207-N211 PolarHBondContact O-N 2.95Å; K207-N211 PolarHBondContact O-ND2 3.46Å; N208-N211 PolarHBondContact O-N 3.27Å; Q209-N211 VanDerWaalsContact C-N 3.33Å; Q209-N211 PolarHBondContact O-N 2.95Å
212	S	67.5	Low	62.9	Low	91 Å²	91	122.7 Å²	122.7	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-83.7	-15.4	180	-62.4	0	0	0	0	114	N208 Q209 S214	N208-S212 WeakPolarHBondContact O-CB 3.24Å; N208-S212 PolarHBondContact O-N 3.03Å; N208-S212 PolarHBondContact O-OG 3.15Å; Q209-S212 PolarHBondContact O-N 3.19Å; S212-S214 VanDerWaalsContact C-N 3.26Å; S212-S214 PolarHBondContact O-N 3.09Å
213	S	58.1	Low	60.6	Low	100 Å²	100	124.6 Å²	124.6	70%	0.699	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	9.5	179.7	86.8	0	0	0	0	114.5	Q209	Q209-S213 WeakPolarHBondContact O-CB 3.04Å; Q209-S213 PolarHBondContact O-N 3.02Å
214	S	51.9	Low	58.4	Low	98 Å²	98	124.2 Å²	124.2	69%	0.685	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	13.8	-171	-175.8	0	0	0	0	114.7	S212	S212-S214 VanDerWaalsContact C-N 3.26Å; S212-S214 PolarHBondContact O-N 3.09Å
215	T	38.6	Very low	56.1	Low	115 Å²	115	125.9 Å²	125.9	71%	0.706	69%	0.687	S	S	*	*			trans	-131.7	89.8	179.9	51.2	0	0	0	0	111.5
216	D	47	Very low	53.7	Low	159 Å²	159	128.1 Å²	128.1	85%	0.85	70%	0.7	S	S	*	*			trans	-140.7	124.4	155.3	-92.5	-29.8	0	0	0	109.1
217	N	41.9	Very low	51.3	Low	144 Å²	144	130.5 Å²	130.5	77%	0.77	71%	0.711	S	S	*	*			trans	64.2	99.2	164.2	-75.9	-15.9	0	0	0	119.8
218	D	44.2	Very low	49	Very low	157 Å²	157	134 Å²	134	84%	0.84	73%	0.729	S	S	*	*				-171.8	109.9	92.7	-91	-21.7	0	0	0	111.6	N220	D218-N220 PolarHBondContact O-N 2.96Å
219	N	43	Very low	46.5	Very low	170 Å²	170	137.6 Å²	137.6	91%	0.909	74%	0.743	S	S	*	*			trans	-66.2	113.4	164.2	-81.2	-35	0	0	0	109.3
220	N	46.1	Very low	44.1	Very low	155 Å²	155	138.5 Å²	138.5	83%	0.829	75%	0.751	S	S	*	*			trans	-150.6	134.5	146.9	-145.9	-8.9	0	0	0	113.2	D218	D218-N220 PolarHBondContact O-N 2.96Å
221	H	41.6	Very low	41.9	Very low	169 Å²	169	142.3 Å²	142.3	78%	0.782	76%	0.764	S	S	*	*			trans	-53.2	127	-179.7	-81.8	-92.2	0	0	0	113.1
222	N	40.1	Very low	39.6	Very low	151 Å²	151	141.9 Å²	141.9	81%	0.807	77%	0.767	S	S	*	*				-169.3	120.9	119.6	-99.2	-21.9	0	0	0	110.8	N224	N222-N224 PolarHBondContact O-N 2.85Å
223	T	35.9	Very low	37.6	Very low	121 Å²	121	145.5 Å²	145.5	74%	0.742	78%	0.779	S	S	*	*			trans	-55.7	119.4	160.7	48.1	0	0	0	0	109.2
224	N	36	Very low	36	Very low	144 Å²	144	145.5 Å²	145.5	77%	0.77	78%	0.775	S	S	*	*			trans	179.1	126.3	153.1	-86.5	-20.3	0	0	0	109.7	N222	N222-N224 PolarHBondContact O-N 2.85Å
225	N	31.4	Very low	34.9	Very low	134 Å²	134	146.8 Å²	146.8	72%	0.717	78%	0.784	S	S	*	*			trans	17	114.7	150.4	-54.9	-10.4	0	0	0	118.8
226	I	32.6	Very low	34.2	Very low	150 Å²	150	146 Å²	146	77%	0.769	78%	0.779	S	S	*	*			trans	-144.6	75.7	149.6	-48.3	177.1	0	0	0	105.8
227	D	29.1	Very low	33.2	Very low	126 Å²	126	146.3 Å²	146.3	67%	0.674	78%	0.775	S	S	*	*				49.1	121.4	86.8	-76.2	-24	0	0	0	114.5	Q229	D227-Q229 PolarHBondContact O-N 3.29Å
228	E	33.3	Very low	32.4	Very low	198 Å²	198	145.1 Å²	145.1	93%	0.925	77%	0.773	S	S	*	*	S	Bend	trans	-49.8	73.7	155.9	-59.5	177.8	148	0	0	111.3
229	Q	28.5	Very low	31.5	Very low	163 Å²	163	143.5 Å²	143.5	76%	0.762	77%	0.765	S	S	*	*			trans	-169.7	91.2	171.2	-118.3	168.2	67.7	0	0	112.7	D227	D227-Q229 PolarHBondContact O-N 3.29Å
230	L	28.3	Very low	30.8	Very low	152 Å²	152	142.8 Å²	142.8	80%	0.796	76%	0.76	S	S	*	*	S	Bend	trans	-153.1	55.5	157	-101.6	170.1	0	0	0	109.9
231	F	30.7	Very low	29.8	Very low	189 Å²	189	140.6 Å²	140.6	83%	0.829	75%	0.754	S	S	*	*	S	Bend		-146.8	131.7	116.7	-80	-70.5	0	0	0	106.4	N233	F231-N233 PolarHBondContact O-N 3.03Å
232	P	26.4	Very low	29	Very low	94 Å²	94	141.5 Å²	141.5	61%	0.61	76%	0.759	S	S	*	*			trans	-63.5	128.3	-177	-4.5	18.5	0	0	0	108.3	T234	P232-T234 HydrophobicContact CB-CG2 4.03Å; P232-T234 PolarHBondContact O-N 3.29Å
233	N	25.4	Very low	28.4	Very low	167 Å²	167	139.6 Å²	139.6	89%	0.893	75%	0.753	S	S	*	*			trans	-68	68.5	155.8	-72.1	-26.2	0	0	0	107.9	F231 S235	F231-N233 PolarHBondContact O-N 3.03Å; N233-S235 VanDerWaalsContact C-N 3.33Å; N233-S235 PolarHBondContact O-N 3.35Å
234	T	24.8	Very low	27.9	Very low	99 Å²	99	141.2 Å²	141.2	61%	0.607	76%	0.757	S	S	*	*			trans	-82.5	92.1	161	43.3	0	0	0	0	106.6	P232 T236	P232-T234 HydrophobicContact CB-CG2 4.03Å; P232-T234 PolarHBondContact O-N 3.29Å; T234-T236 PolarHBondContact O-N 2.8Å
235	S	27.5	Very low	27.7	Very low	126 Å²	126	140.6 Å²	140.6	88%	0.881	76%	0.758	S	S	*	*			trans	-57.5	72.5	147	-55.9	0	0	0	0	108	N233	N233-S235 VanDerWaalsContact C-N 3.33Å; N233-S235 PolarHBondContact O-N 3.35Å
236	T	25.3	Very low	27.6	Very low	97 Å²	97	143.2 Å²	143.2	60%	0.595	76%	0.763	S	S	*	*			trans	-98.2	102.1	164.8	-56.3	0	0	0	0	105.7	T234 V238	T234-T236 PolarHBondContact O-N 2.8Å; T236-V238 HydrophobicContact CG2-CG2 4.21Å; T236-V238 PolarHBondContact O-N 3.19Å
237	E	25.3	Very low	27.4	Very low	166 Å²	166	143.8 Å²	143.8	78%	0.776	77%	0.768	S	S	*	*			trans	-44.3	86.6	154.3	-138.3	174.7	-168.4	0	0	108.3	N239	E237-N239 PolarHBondContact O-N 2.94Å
238	V	24.5	Very low	27.5	Very low	119 Å²	119	143.4 Å²	143.4	72%	0.721	77%	0.77	S	S	*	*			trans	-79.6	86.5	168	-177.3	0	0	0	0	105.1	T236 L240	T236-V238 HydrophobicContact CG2-CG2 4.21Å; T236-V238 PolarHBondContact O-N 3.19Å; V238-L240 PolarHBondContact O-N 3.19Å
239	N	25.7	Very low	27.4	Very low	124 Å²	124	142.3 Å²	142.3	66%	0.663	77%	0.765	S	S	*	*			trans	-39.8	111.5	162.6	-75.6	-52.7	0	0	0	108.3	E237 P241	E237-N239 PolarHBondContact O-N 2.94Å; N239-P241 WeakPolarHBondContact O-CD 3.45Å
240	L	28.4	Very low	27.4	Very low	154 Å²	154	142.1 Å²	142.1	81%	0.806	77%	0.769	S	S	*	*			trans	-52.8	123.7	164.9	-109.2	75.9	0	0	0	106.2	V238 Q242	V238-L240 PolarHBondContact O-N 3.19Å; L240-Q242 PolarHBondContact O-N 3.37Å
241	P	25.1	Very low	27.4	Very low	109 Å²	109	141.3 Å²	141.3	71%	0.708	77%	0.77	S	S	*	*			trans	-62.1	104.3	171.2	23.4	-29.1	0	0	0	107.9	N239 T243	N239-P241 WeakPolarHBondContact O-CD 3.45Å; P241-T243 VanDerWaalsContact C-N 3.28Å; P241-T243 PolarHBondContact O-N 3.14Å; P241-T243 PolarHBondContact O-OG1 3.21Å
242	Q	24.2	Very low	27.2	Very low	188 Å²	188	135.9 Å²	135.9	88%	0.879	77%	0.768	S	S	*	*			trans	-57	99.4	157.8	-74.8	178.1	-48.7	0	0	105.7	L240 D244	L240-Q242 PolarHBondContact O-N 3.37Å; Q242-D244 PolarHBondContact O-N 2.9Å
243	T	28.2	Very low	27.1	Very low	112 Å²	112	134.1 Å²	134.1	69%	0.687	77%	0.767	S	S	*	*			trans	-91.7	100.6	170.5	-46.1	0	0	0	0	105.9	P241 V245	P241-T243 VanDerWaalsContact C-N 3.28Å; P241-T243 PolarHBondContact O-N 3.14Å; P241-T243 PolarHBondContact O-OG1 3.21Å; T243-V245 PolarHBondContact O-N 3.48Å
244	D	26.1	Very low	27.1	Very low	154 Å²	154	134.9 Å²	134.9	82%	0.824	76%	0.762	S	S	*	*			trans	-53.5	103.9	167.2	-71	-43.3	0	0	0	109.4	Q242	Q242-D244 PolarHBondContact O-N 2.9Å
245	V	30.7	Very low	27.4	Very low	131 Å²	131	138 Å²	138	79%	0.794	77%	0.773	S	S	*	*			trans	-104.9	104.3	160.4	-178.2	0	0	0	0	106.6	T243	T243-V245 PolarHBondContact O-N 3.48Å
246	K	29.5	Very low	27.3	Very low	189 Å²	189	138.1 Å²	138.1	82%	0.822	76%	0.764	S	S	*	*			trans	-31.9	131.3	-179.5	-76	171.9	170.3	176.8	0	114.8	T248	K246-T248 PolarHBondContact O-N 3.41Å
247	N	28.5	Very low	27.6	Very low	162 Å²	162	139.3 Å²	139.3	87%	0.866	76%	0.763	S	S	*	*			trans	-49	129.1	156.3	-62.3	-30.5	0	0	0	110.7
248	T	31.6	Very low	27.8	Very low	119 Å²	119	137.2 Å²	137.2	73%	0.73	77%	0.765	S	S	*	*			trans	-150.7	104.8	151	-2.7	0	0	0	0	108.7	K246	K246-T248 PolarHBondContact O-N 3.41Å
249	E	30.1	Very low	28	Very low	175 Å²	175	136.6 Å²	136.6	82%	0.818	76%	0.757	S	S	*	*			trans	54.4	96.1	140.2	-68.3	170.9	171.3	0	0	119.1
250	D	29	Very low	28.4	Very low	158 Å²	158	138 Å²	138	85%	0.845	76%	0.76	S	S	*	*				37.8	88.7	117.8	-156.5	16.2	0	0	0	117
251	V	29.6	Very low	28.6	Very low	136 Å²	136	133.2 Å²	133.2	82%	0.824	75%	0.749	S	S	*	*			trans	-134.8	101.5	146.4	-177.6	0	0	0	0	107.4	G253	V251-G253 PolarHBondContact O-N 3.38Å
252	G	25.1	Very low	28.9	Very low	75 Å²	75	135 Å²	135	77%	0.773	75%	0.748	S	S	*	*			trans	-53.7	104.6	168.2	0	0	0	0	0	111.2
253	G	24.7	Very low	29.2	Very low	57 Å²	57	133.4 Å²	133.4	59%	0.588	75%	0.745	S	S	*	*			trans	-123.8	104	164.4	0	0	0	0	0	107.5	V251 I255	V251-G253 PolarHBondContact O-N 3.38Å; G253-I255 PolarHBondContact O-N 2.95Å
254	K	25.4	Very low	29.4	Very low	183 Å²	183	132.5 Å²	132.5	80%	0.796	74%	0.735	S	S	*	*			trans	-48	112.6	164.9	-67.5	179.2	171.4	-168.9	0	108.3	D256	K254-D256 PolarHBondContact O-N 2.95Å
255	I	30.3	Very low	29.6	Very low	164 Å²	164	130.8 Å²	130.8	84%	0.841	73%	0.733	S	S	*	*			trans	-96.1	71.9	156.4	-39.8	178	0	0	0	105.3	G253 E257	G253-I255 PolarHBondContact O-N 2.95Å; I255-E257 VanDerWaalsContact C-N 3.33Å; I255-E257 PolarHBondContact O-N 3.42Å
256	D	25.5	Very low	29.5	Very low	128 Å²	128	130.1 Å²	130.1	68%	0.684	73%	0.725	S	S	*	*			trans	-62.3	101.3	150.3	-78.1	-36.2	0	0	0	105.7	K254	K254-D256 PolarHBondContact O-N 2.95Å
257	E	31.9	Very low	29.4	Very low	123 Å²	123	126.9 Å²	126.9	58%	0.575	71%	0.708	S	S	*	*			trans	-158.7	48.7	147	-119.2	178.8	170.3	0	0	111	I255 D259 Q260	I255-E257 VanDerWaalsContact C-N 3.33Å; I255-E257 PolarHBondContact O-N 3.42Å; E257-D259 PolarHBondContact O-N 3.15Å; E257-Q260 HydrophobicContact CG-CG 4.37Å; E257-Q260 PolarHBondContact OE1-NE2 3.24Å
258	C	29.2	Very low	29.6	Very low	121 Å²	121	120.5 Å²	120.5	82%	0.818	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	57.8	144.2	-75.2	0	0	0	0	109.4
259	D	30.2	Very low	29.8	Very low	106 Å²	106	120.4 Å²	120.4	57%	0.567	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.6	-2.8	-178	-100.4	-23	0	0	0	117.7	E257 G261	E257-D259 PolarHBondContact O-N 3.15Å; D259-G261 VanDerWaalsContact C-N 3.35Å; D259-G261 PolarHBondContact O-N 3.27Å
260	Q	32.5	Very low	30.3	Very low	153 Å²	153	114.4 Å²	114.4	72%	0.715	65%	0.648	S	S	*	*	S	Bend	trans	-85.7	4.1	176.7	-68.9	-156	10.5	0	0	115.8	E257	E257-Q260 HydrophobicContact CG-CG 4.37Å; E257-Q260 PolarHBondContact OE1-NE2 3.24Å
261	G	33.7	Very low	31	Very low	55 Å²	55	113 Å²	113	57%	0.567	65%	0.651	S	S	*	*	S	Bend	trans	-110.2	-11.3	176.9	0	0	0	0	0	115.6	D259 N263	D259-G261 VanDerWaalsContact C-N 3.35Å; D259-G261 PolarHBondContact O-N 3.27Å; G261-N263 VanDerWaalsContact C-N 3.31Å; G261-N263 PolarHBondContact O-N 3.32Å
262	Q	31.5	Very low	32	Very low	147 Å²	147	109.1 Å²	109.1	69%	0.687	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	3.5	-167.3	-66.7	-169.5	25.8	0	0	115
263	N	30.5	Very low	33.4	Very low	154 Å²	154	113.2 Å²	113.2	82%	0.824	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	13.4	-176.1	-78.7	-41.5	0	0	0	115.6	G261 P265	G261-N263 VanDerWaalsContact C-N 3.31Å; G261-N263 PolarHBondContact O-N 3.32Å; N263-P265 WeakPolarHBondContact O-CD 3.45Å
264	L	32.6	Very low	34.8	Very low	93 Å²	93	119.4 Å²	119.4	49%	0.487	64%	0.635	S	S	.	*			trans	-97.5	110.1	169.3	-77.8	143	0	0	0	108.9	N266 Y267	L264-N266 PolarHBondContact O-N 3.36Å; L264-Y267 HydrophobicContact CB-CD2 3.32Å; L264-Y267 HydrophobicContact CB-CE2 3.69Å; L264-Y267 HydrophobicContact CB-CG 4.04Å; L264-Y267 HydrophobicContact CD2-CD2 4.32Å; L264-Y267 HydrophobicContact CD2-CE2 3.78Å; L264-Y267 HydrophobicContact CG-CD2 4.28Å; L264-Y267 HydrophobicContact CG-CE2 4.24Å; L264-Y267 PolarHBondContact O-N 2.94Å
265	P	28.7	Very low	35.9	Very low	118 Å²	118	115.3 Å²	115.3	77%	0.766	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	12.1	-165.2	24.8	-33.1	0	0	0	115.7	N263	N263-P265 WeakPolarHBondContact O-CD 3.45Å
266	N	30	Very low	36.8	Very low	117 Å²	117	111.1 Å²	111.1	63%	0.626	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.6	16.6	-170	-65	-49.7	0	0	0	114.6	H72 M79 L264	H72-N266 PolarHBondContact CE1-O 3.28Å; H72-N266 VanDerWaalsContact CE1-O 3.25Å; H72-N266 PolarHBondContact ND1-O 3.39Å; M79-N266 WeakPolarHBondContact CE-O 3.25Å; L264-N266 PolarHBondContact O-N 3.36Å
267	Y	27.5	Very low	38.2	Very low	120 Å²	120	109.2 Å²	109.2	47%	0.471	59%	0.593	S	S	.	*			trans	-126	141.2	-170.9	-59.4	-115.8	0	0	0	111.2	H72 M79 L264	H72-Y267 VanDerWaalsContact CE1-CA 3.43Å; H72-Y267 WeakPolarHBondContact CE1-CA 3.27Å; H72-Y267 VanDerWaalsContact NE2-C 3.26Å; H72-Y267 WeakPolarHBondContact NE2-CA 3.48Å; M79-Y267 HydrophobicContact CB-CE1 4.37Å; M79-Y267 HydrophobicContact CE-CD1 2.99Å; M79-Y267 HydrophobicContact CE-CD2 3.76Å; M79-Y267 HydrophobicContact CE-CE1 3.3Å; M79-Y267 HydrophobicContact CE-CE2 4Å; M79-Y267 HydrophobicContact CE-CG 3.23Å; M79-Y267 HydrophobicContact CG-CD1 3.54Å; M79-Y267 HydrophobicContact CG-CE1 3.42Å; M79-Y267 VanDerWaalsContact CG-CE1 3.42Å; M79-Y267 HydrophobicContact SD-CD1 3.38Å; M79-Y267 WeakPolarHBondContact SD-CD1 3.38Å; M79-Y267 HydrophobicContact SD-CE1 2.99Å; M79-Y267 WeakPolarHBondContact SD-CE1 3.25Å; M79-Y267 HydrophobicContact SD-CE2 4.28Å; M79-Y267 HydrophobicContact SD-CG 4.16Å; L264-Y267 HydrophobicContact CB-CD2 3.32Å; L264-Y267 HydrophobicContact CB-CE2 3.69Å; L264-Y267 HydrophobicContact CB-CG 4.04Å; L264-Y267 HydrophobicContact CD2-CD2 4.32Å; L264-Y267 HydrophobicContact CD2-CE2 3.78Å; L264-Y267 HydrophobicContact CG-CD2 4.28Å; L264-Y267 HydrophobicContact CG-CE2 4.24Å; L264-Y267 PolarHBondContact O-N 2.94Å
268	A	31.4	Very low	39	Very low	28 Å²	28	106.5 Å²	106.5	23%	0.231	58%	0.578	C	S	.	*			trans	-154	137.5	-173	0	0	0	0	0	107.4	D70 H72	D70-A268 HydrophobicContact CB-CB 4Å; H72-A268 WeakPolarHBondContact CE1-CB 3.26Å; H72-A268 PolarHBondContact CE1-N 2.99Å; H72-A268 WeakPolarHBondContact NE2-CA 3.41Å; H72-A268 WeakPolarHBondContact NE2-CB 3.22Å; H72-A268 PolarHBondContact NE2-N 2.74Å; H72-A268 PolarHBondContact NE2-O 2.74Å
269	T	37.1	Very low	40.2	Very low	117 Å²	117	101.6 Å²	101.6	72%	0.718	55%	0.546	S	S	*	.			trans	-110	142.9	-172	52.4	0	0	0	0	109.3
270	F	40.2	Very low	41.4	Very low	49 Å²	49	97.6 Å²	97.6	22%	0.215	53%	0.525	C	S	.	.			trans	-132.7	146.4	170.4	67.1	-83.6	0	0	0	111.5	L66 I73 E74 V75 V272 V280	L66-F270 HydrophobicContact CD1-CD2 4.26Å; L66-F270 HydrophobicContact CD1-CE2 4.34Å; L66-F270 HydrophobicContact CD2-CB 4Å; L66-F270 HydrophobicContact CD2-CD2 4.35Å; L66-F270 HydrophobicContact CD2-CG 4.1Å; I73-F270 HydrophobicContact CB-CE1 4.46Å; I73-F270 HydrophobicContact CG2-CE1 3.59Å; I73-F270 HydrophobicContact CG2-CZ 3.7Å; E74-F270 WeakPolarHBondContact O-CE1 3.33Å; E74-F270 VanDerWaalsContact O-CZ 3.24Å; E74-F270 WeakPolarHBondContact O-CZ 3.38Å; V75-F270 HydrophobicContact CG2-CZ 4.27Å; F270-V272 HydrophobicContact CD2-CG2 3.67Å; F270-V272 HydrophobicContact CE2-CG2 3.31Å; F270-V272 HydrophobicContact CZ-CG2 4.37Å; F270-V280 HydrophobicContact CE2-CG1 4.43Å; F270-V280 HydrophobicContact CZ-CG1 4.46Å
271	S	42.6	Very low	42.7	Very low	129 Å²	129	91.9 Å²	91.9	90%	0.902	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-92.4	119.8	-177.1	-60	0	0	0	0	110.6
272	V	52.5	Low	43.9	Very low	54 Å²	54	91.8 Å²	91.8	33%	0.327	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-99.1	136.6	172.2	-175.8	0	0	0	0	109.1	F270 K274 H276 V280	F270-V272 HydrophobicContact CD2-CG2 3.67Å; F270-V272 HydrophobicContact CE2-CG2 3.31Å; F270-V272 HydrophobicContact CZ-CG2 4.37Å; V272-K274 PolarHBondContact O-N 2.9Å; V272-H276 HydrophobicContact CG1-CB 3.69Å; V272-V280 HydrophobicContact CG1-CG2 3.91Å; V272-V280 HydrophobicContact CG2-CG1 4.5Å; V272-V280 HydrophobicContact CG2-CG2 4.38Å
273	K	52.8	Low	45.2	Very low	161 Å²	161	87.3 Å²	87.3	70%	0.7	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-57.5	133.4	168.6	-72.4	-176.1	179.2	178.4	0	108.4	S275 H276 E277	K273-S275 PolarHBondContact O-N 3.21Å; K273-H276 PolarHBondContact O-N 3.02Å; K273-E277 PolarHBondContact O-N 3.08Å
274	K	55.3	Low	46.6	Very low	187 Å²	187	80 Å²	80	81%	0.813	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-31.2	-180	-164.1	168.5	-172.8	171.8	0	114	V272 H276	V272-K274 PolarHBondContact O-N 2.9Å; K274-H276 PolarHBondContact O-N 2.94Å
275	S	48.5	Very low	47.7	Very low	97 Å²	97	78.2 Å²	78.2	68%	0.678	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16	175.4	52.5	0	0	0	0	115.7	K273	K273-S275 PolarHBondContact O-N 3.21Å
276	H	49.4	Very low	48.9	Very low	76 Å²	76	76.8 Å²	76.8	35%	0.352	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-9.9	-175.5	-65.8	67.8	0	0	0	112.8	V272 K273 K274 Y278 A279 V280	V272-H276 HydrophobicContact CG1-CB 3.69Å; K273-H276 PolarHBondContact O-N 3.02Å; K274-H276 PolarHBondContact O-N 2.94Å; H276-Y278 VanDerWaalsContact C-N 3.27Å; H276-Y278 PolarHBondContact O-N 3.11Å; H276-A279 PolarHBondContact O-N 3.2Å; H276-V280 WeakPolarHBondContact O-CG2 3.43Å; H276-V280 PolarHBondContact O-N 3.08Å
277	E	55.1	Low	49.8	Very low	89 Å²	89	75.5 Å²	75.5	42%	0.416	40%	0.398	S	S	.	.	H	α-helix	trans	-50.7	-47.5	-177.8	-171.3	-177	160	0	0	111.8	K273 A279 V280 R281	K273-E277 PolarHBondContact O-N 3.08Å; E277-A279 PolarHBondContact O-N 3.46Å; E277-V280 PolarHBondContact O-N 3.31Å; E277-R281 WeakPolarHBondContact O-CB 3.32Å; E277-R281 PolarHBondContact O-N 3.33Å
278	Y	48.9	Very low	50.7	Low	66 Å²	66	71.4 Å²	71.4	26%	0.259	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-39.9	178.4	-170.8	-103	0	0	0	113.6	E34 R38 H276 N282	E34-Y278 HydrophobicContact CG-CE2 4.14Å; E34-Y278 WeakPolarHBondContact OE1-CE2 3.34Å; R38-Y278 HydrophobicContact CB-CE1 4.4Å; R38-Y278 WeakPolarHBondContact CB-OH 3.4Å; R38-Y278 WeakPolarHBondContact CD-OH 3.31Å; R38-Y278 HydrophobicContact CG-CE1 4.45Å; R38-Y278 WeakPolarHBondContact CG-OH 3.39Å; H276-Y278 VanDerWaalsContact C-N 3.27Å; H276-Y278 PolarHBondContact O-N 3.11Å; Y278-N282 WeakPolarHBondContact CD1-ND2 3.41Å; Y278-N282 WeakPolarHBondContact CE1-ND2 3.23Å; Y278-N282 WeakPolarHBondContact O-CB 3.49Å; Y278-N282 PolarHBondContact O-N 3.38Å; Y278-N282 PolarHBondContact O-ND2 3.25Å
279	A	53	Low	51.3	Low	18 Å²	18	76 Å²	76	15%	0.149	40%	0.404	C	S	.	.	H	α-helix	trans	-70.1	-42.9	179.9	0	0	0	0	0	111.2	F41 H276 E277 W283	F41-A279 HydrophobicContact CZ-CB 4.35Å; H276-A279 PolarHBondContact O-N 3.2Å; E277-A279 PolarHBondContact O-N 3.46Å; A279-W283 VanDerWaalsContact O-CB 3.25Å; A279-W283 WeakPolarHBondContact O-CB 3.47Å; A279-W283 PolarHBondContact O-N 3.47Å
280	V	56	Low	51.3	Low	21 Å²	21	78.4 Å²	78.4	13%	0.127	41%	0.406	C	S	.	.	H	α-helix	trans	-66.3	-40.8	177.3	-176.5	0	0	0	0	110.2	V75 F270 V272 H276 E277 W283 L284	V75-V280 HydrophobicContact CG2-CG1 3.76Å; F270-V280 HydrophobicContact CE2-CG1 4.43Å; F270-V280 HydrophobicContact CZ-CG1 4.46Å; V272-V280 HydrophobicContact CG1-CG2 3.91Å; V272-V280 HydrophobicContact CG2-CG1 4.5Å; V272-V280 HydrophobicContact CG2-CG2 4.38Å; H276-V280 WeakPolarHBondContact O-CG2 3.43Å; H276-V280 PolarHBondContact O-N 3.08Å; E277-V280 PolarHBondContact O-N 3.31Å; V280-W283 PolarHBondContact O-N 3.45Å; V280-L284 HydrophobicContact CG1-CD1 3.78Å; V280-L284 WeakPolarHBondContact O-CD1 3.05Å; V280-L284 PolarHBondContact O-N 2.98Å
281	R	60	Low	51	Low	33 Å²	33	80.1 Å²	80.1	13%	0.125	42%	0.417	C	S	.	.	H	α-helix	trans	-58.5	-51.6	175.1	-167.3	-174.1	-174.1	164	-1.1	112.4	I18 E23 V75 N76 E277 W283 L284 L285	I18-R281 PolarHBondContact O-NH2 3.38Å; E23-R281 IonicContact OE1-NH1 3.79Å; E23-R281 PolarHBondContact OE1-NH1 3.26Å; E23-R281 IonicContact OE1-NH2 3.77Å; E23-R281 IonicContact OE2-NH2 3.24Å; V75-R281 HydrophobicContact CG1-CB 4.07Å; V75-R281 HydrophobicContact CG1-CG 3.93Å; N76-R281 VanDerWaalsContact ND2-CD 3.27Å; N76-R281 WeakPolarHBondContact ND2-CD 3.44Å; N76-R281 PolarHBondContact ND2-NE 2.66Å; N76-R281 PolarHBondContact ND2-NH1 3.41Å; E277-R281 WeakPolarHBondContact O-CB 3.32Å; E277-R281 PolarHBondContact O-N 3.33Å; R281-W283 VanDerWaalsContact C-N 3.32Å; R281-W283 PolarHBondContact O-N 3.43Å; R281-L284 PolarHBondContact O-N 3.21Å; R281-L285 HydrophobicContact CG-CD1 4.18Å; R281-L285 WeakPolarHBondContact O-CG 3.49Å; R281-L285 PolarHBondContact O-N 3.03Å
282	N	57.8	Low	51.4	Low	53 Å²	53	77.7 Å²	77.7	28%	0.283	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-36.3	178.9	-75.8	-25.7	0	0	0	112.7	Y278 L284 S286	Y278-N282 WeakPolarHBondContact CD1-ND2 3.41Å; Y278-N282 WeakPolarHBondContact CE1-ND2 3.23Å; Y278-N282 WeakPolarHBondContact O-CB 3.49Å; Y278-N282 PolarHBondContact O-N 3.38Å; Y278-N282 PolarHBondContact O-ND2 3.25Å; N282-L284 VanDerWaalsContact C-N 3.33Å; N282-S286 VanDerWaalsContact O-CB 3.27Å; N282-S286 WeakPolarHBondContact O-CB 3.38Å; N282-S286 PolarHBondContact O-N 3Å
283	W	60.1	Low	51.4	Low	53 Å²	53	78.9 Å²	78.9	20%	0.201	40%	0.396	C	S	.	.	H	α-helix	trans	-63.6	-40.5	175.6	-176.1	91.6	0	0	0	110.6	L63 A279 V280 R281 S286 N287 F288	L63-W283 HydrophobicContact CD1-CD2 4.43Å; L63-W283 HydrophobicContact CD1-CE3 3.57Å; L63-W283 HydrophobicContact CD1-CH2 3.61Å; L63-W283 HydrophobicContact CD1-CZ2 4.27Å; L63-W283 HydrophobicContact CD1-CZ3 3.12Å; L63-W283 HydrophobicContact CD2-CH2 2.96Å; L63-W283 HydrophobicContact CD2-CZ2 3.57Å; L63-W283 HydrophobicContact CD2-CZ3 3.49Å; L63-W283 VanDerWaalsContact CD2-CZ3 3.49Å; L63-W283 HydrophobicContact CG-CH2 3.78Å; L63-W283 HydrophobicContact CG-CZ2 4.35Å; L63-W283 HydrophobicContact CG-CZ3 3.83Å; A279-W283 VanDerWaalsContact O-CB 3.25Å; A279-W283 WeakPolarHBondContact O-CB 3.47Å; A279-W283 PolarHBondContact O-N 3.47Å; V280-W283 PolarHBondContact O-N 3.45Å; R281-W283 VanDerWaalsContact C-N 3.32Å; R281-W283 PolarHBondContact O-N 3.43Å; W283-S286 PolarHBondContact O-N 2.98Å; W283-N287 HydrophobicContact CH2-CB 4.16Å; W283-N287 HydrophobicContact CZ2-CB 4.4Å; W283-N287 WeakPolarHBondContact CZ2-ND2 3.2Å; W283-N287 PolarHBondContact NE1-ND2 2.89Å; W283-N287 WeakPolarHBondContact O-CB 2.99Å; W283-N287 PolarHBondContact O-N 3.08Å; W283-N287 VanDerWaalsContact O-N 3.15Å; W283-N287 PolarHBondContact O-ND2 3.29Å; W283-F288 AromaticContact CH2-CE2 4Å; W283-F288 HydrophobicContact CH2-CE2 4Å; W283-F288 AromaticContact CZ3-CE2 3.9Å; W283-F288 HydrophobicContact CZ3-CE2 3.9Å
284	L	58.7	Low	51.3	Low	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-70.5	-44.4	177.4	-74.4	151.6	0	0	0	112.6	I73 V75 I80 V280 R281 N282 S286 N287 F288	I73-L284 HydrophobicContact CB-CD2 4.22Å; I73-L284 HydrophobicContact CD1-CD2 4.29Å; I73-L284 HydrophobicContact CG2-CD1 3.74Å; I73-L284 HydrophobicContact CG2-CD2 3.64Å; I73-L284 HydrophobicContact CG2-CG 4.37Å; V75-L284 HydrophobicContact CB-CB 4.46Å; V75-L284 HydrophobicContact CB-CD1 3.26Å; V75-L284 HydrophobicContact CB-CG 4.39Å; V75-L284 HydrophobicContact CG1-CB 4.27Å; V75-L284 HydrophobicContact CG1-CD1 3.79Å; V75-L284 HydrophobicContact CG2-CD1 2.93Å; V75-L284 HydrophobicContact CG2-CG 4.33Å; I80-L284 HydrophobicContact CD1-CD2 3.4Å; I80-L284 HydrophobicContact CD1-CG 4.47Å; V280-L284 HydrophobicContact CG1-CD1 3.78Å; V280-L284 WeakPolarHBondContact O-CD1 3.05Å; V280-L284 PolarHBondContact O-N 2.98Å; R281-L284 PolarHBondContact O-N 3.21Å; N282-L284 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 3.36Å; L284-N287 PolarHBondContact O-N 2.74Å; L284-N287 VanDerWaalsContact O-N 3.15Å; L284-F288 HydrophobicContact CB-CD2 4.48Å; L284-F288 HydrophobicContact CD2-CD2 3.66Å; L284-F288 HydrophobicContact CD2-CE2 3.58Å; L284-F288 WeakPolarHBondContact O-CB 3.44Å; L284-F288 WeakPolarHBondContact O-CD2 3.36Å; L284-F288 PolarHBondContact O-N 3.43Å
285	L	56.6	Low	51.1	Low	56 Å²	56	67.7 Å²	67.7	29%	0.293	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-32.6	175.2	-68.9	171.4	0	0	0	112.5	I18 L78 R281 N289	I18-L285 HydrophobicContact CG2-CD1 4.38Å; L78-L285 HydrophobicContact CD1-CD2 4.49Å; R281-L285 HydrophobicContact CG-CD1 4.18Å; R281-L285 WeakPolarHBondContact O-CG 3.49Å; R281-L285 PolarHBondContact O-N 3.03Å; L285-N289 PolarHBondContact O-OD1 3.46Å
286	S	53.1	Low	51.2	Low	89 Å²	89	65.9 Å²	65.9	62%	0.622	33%	0.333	S	S	*	.	H	α-helix	trans	-77.9	-24.3	178	-175.4	0	0	0	0	114	N282 W283 L284	N282-S286 VanDerWaalsContact O-CB 3.27Å; N282-S286 WeakPolarHBondContact O-CB 3.38Å; N282-S286 PolarHBondContact O-N 3Å; W283-S286 PolarHBondContact O-N 2.98Å; L284-S286 PolarHBondContact O-N 3.36Å
287	N	49.3	Very low	51.4	Low	90 Å²	90	65.2 Å²	65.2	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-104.2	-20.4	-176.2	-74.2	-75.4	0	0	0	112.7	W283 L284	W283-N287 HydrophobicContact CH2-CB 4.16Å; W283-N287 HydrophobicContact CZ2-CB 4.4Å; W283-N287 WeakPolarHBondContact CZ2-ND2 3.2Å; W283-N287 PolarHBondContact NE1-ND2 2.89Å; W283-N287 WeakPolarHBondContact O-CB 2.99Å; W283-N287 PolarHBondContact O-N 3.08Å; W283-N287 VanDerWaalsContact O-N 3.15Å; W283-N287 PolarHBondContact O-ND2 3.29Å; L284-N287 PolarHBondContact O-N 2.74Å; L284-N287 VanDerWaalsContact O-N 3.15Å
288	F	47.2	Very low	51.1	Low	33 Å²	33	63.5 Å²	63.5	15%	0.145	33%	0.326	C	S	.	.			trans	-126.7	84.2	-178.4	-58.1	-84.5	0	0	0	108.6	I80 V85 W283 L284 H290 I291	I80-F288 HydrophobicContact CB-CD1 4.38Å; I80-F288 HydrophobicContact CD1-CB 3.86Å; I80-F288 HydrophobicContact CD1-CD1 3.92Å; I80-F288 HydrophobicContact CD1-CD2 3.36Å; I80-F288 HydrophobicContact CD1-CE1 4.32Å; I80-F288 HydrophobicContact CD1-CE2 3.81Å; I80-F288 HydrophobicContact CD1-CG 3.41Å; I80-F288 VanDerWaalsContact CD1-CG 3.41Å; I80-F288 HydrophobicContact CD1-CZ 4.25Å; I80-F288 HydrophobicContact CG1-CB 4.1Å; I80-F288 HydrophobicContact CG1-CD1 4.07Å; I80-F288 HydrophobicContact CG1-CD2 4.34Å; I80-F288 HydrophobicContact CG1-CG 3.89Å; I80-F288 HydrophobicContact CG2-CD1 3.39Å; I80-F288 HydrophobicContact CG2-CE1 3.39Å; I80-F288 HydrophobicContact CG2-CG 4.08Å; I80-F288 HydrophobicContact CG2-CZ 4.07Å; V85-F288 HydrophobicContact CG2-CE1 4.05Å; V85-F288 HydrophobicContact CG2-CZ 4.47Å; W283-F288 AromaticContact CH2-CE2 4Å; W283-F288 HydrophobicContact CH2-CE2 4Å; W283-F288 AromaticContact CZ3-CE2 3.9Å; W283-F288 HydrophobicContact CZ3-CE2 3.9Å; L284-F288 HydrophobicContact CB-CD2 4.48Å; L284-F288 HydrophobicContact CD2-CD2 3.66Å; L284-F288 HydrophobicContact CD2-CE2 3.58Å; L284-F288 WeakPolarHBondContact O-CB 3.44Å; L284-F288 WeakPolarHBondContact O-CD2 3.36Å; L284-F288 PolarHBondContact O-N 3.43Å; F288-H290 PolarHBondContact O-N 3.41Å; F288-I291 HydrophobicContact CB-CD1 4.03Å; F288-I291 HydrophobicContact CB-CG1 3.78Å; F288-I291 WeakPolarHBondContact O-CG1 3.43Å
289	N	43.9	Very low	51.3	Low	126 Å²	126	63.3 Å²	63.3	67%	0.674	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	12	174.1	-71.3	-23.5	0	0	0	113.5	L285	L285-N289 PolarHBondContact O-OD1 3.46Å
290	H	36.2	Very low	51.1	Low	166 Å²	166	67.1 Å²	67.1	77%	0.769	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	31.5	-171.7	-66.9	-53.2	0	0	0	112.9	F288	F288-H290 PolarHBondContact O-N 3.41Å
291	I	34.4	Very low	50.7	Low	85 Å²	85	71.3 Å²	71.3	44%	0.436	37%	0.366	S	S	.	.			trans	-103.8	0	166.2	-5.1	167.8	0	0	0	110.6	L78 I80 F288	L78-I291 HydrophobicContact CB-CB 3.84Å; L78-I291 HydrophobicContact CB-CD1 3.9Å; L78-I291 HydrophobicContact CB-CG1 4.5Å; L78-I291 HydrophobicContact CB-CG2 3.43Å; L78-I291 VanDerWaalsContact CB-CG2 3.43Å; L78-I291 HydrophobicContact CD1-CB 4.23Å; L78-I291 HydrophobicContact CD1-CD1 4.47Å; L78-I291 HydrophobicContact CD2-CB 3.61Å; L78-I291 HydrophobicContact CD2-CG2 3.51Å; L78-I291 WeakPolarHBondContact CD2-OXT 3.45Å; L78-I291 HydrophobicContact CG-CB 4.08Å; L78-I291 HydrophobicContact CG-CG2 3.99Å; I80-I291 HydrophobicContact CD1-CD1 3.62Å; I80-I291 HydrophobicContact CD1-CG1 4.3Å; I80-I291 HydrophobicContact CG1-CD1 3.7Å; I80-I291 HydrophobicContact CG1-CG1 3.91Å; I80-I291 HydrophobicContact CG1-CG2 4.25Å; F288-I291 HydrophobicContact CB-CD1 4.03Å; F288-I291 HydrophobicContact CB-CG1 3.78Å; F288-I291 WeakPolarHBondContact O-CG1 3.43Å

Retrieved 291 of 291 residues in 306.1 ms (Link to these results)

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