A0A3Q0KB96_SCHMA Loading...

Transcription factor, putative

AlphaFold DB , UniProt , Accession A0A3Q0KB96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	37.1	Very low	241 Å²	241	130.8 Å²	130.8	100%	1.187	74%	0.738	S	S	*	*				0	107.9	0	-80.4	-171.1	173.3	0	0	108.8
2	N	35.8	Very low	37.1	Very low	176 Å²	176	127.8 Å²	127.8	94%	0.941	72%	0.719	S	S	*	*			trans	-31.9	117.2	-176.5	-51.6	-15.4	0	0	0	117.2
3	G	31.4	Very low	37.3	Very low	58 Å²	58	126.8 Å²	126.8	60%	0.598	71%	0.705	S	S	*	*			trans	-170.9	146.1	166.9	0	0	0	0	0	108.8
4	F	32.6	Very low	37.5	Very low	209 Å²	209	126.1 Å²	126.1	92%	0.917	70%	0.697	S	S	*	*			trans	87	80.6	179.8	-50.5	-73.4	0	0	0	117.4
5	T	40.5	Very low	37.9	Very low	104 Å²	104	122.9 Å²	122.9	64%	0.638	68%	0.682	S	S	*	*			trans	-165.5	17.4	150.2	14	0	0	0	0	116.8
6	I	36.7	Very low	38.1	Very low	152 Å²	152	123.4 Å²	123.4	78%	0.779	68%	0.678	S	S	*	*	S	Bend	trans	-82.3	-25.6	-172.5	-66.4	179.1	0	0	0	114.3
7	D	38.4	Very low	38.1	Very low	158 Å²	158	125.3 Å²	125.3	85%	0.845	68%	0.681	S	S	*	*	H	α-helix	trans	-88.6	-9.8	-178.7	-70	-33.7	0	0	0	115.1
8	A	41.2	Very low	38.2	Very low	66 Å²	66	124.8 Å²	124.8	55%	0.545	68%	0.678	S	S	.	*	H	α-helix	trans	-88.6	-9.1	-179	0	0	0	0	0	114
9	I	40.3	Very low	38.3	Very low	104 Å²	104	124.3 Å²	124.3	53%	0.533	68%	0.675	S	S	.	*	H	α-helix	trans	-97	-27	-173.6	-62.7	175.9	0	0	0	111.6
10	L	39.2	Very low	38.1	Very low	123 Å²	123	124.3 Å²	124.3	64%	0.644	67%	0.673	S	S	*	*	H	α-helix	trans	-80	-30.4	177	-109.9	80.7	0	0	0	114.2	N12	L10-N12 VanDerWaalsContact C-N 3.3Å; L10-N12 PolarHBondContact O-N 2.95Å
11	G	37.8	Very low	38	Very low	48 Å²	48	123.1 Å²	123.1	50%	0.495	67%	0.67	S	S	.	*	H	α-helix	trans	-72	-22.6	178.6	0	0	0	0	0	114.1	V15	G11-V15 WeakPolarHBondContact O-CG2 2.99Å
12	N	37.9	Very low	38.3	Very low	95 Å²	95	118.3 Å²	118.3	51%	0.508	65%	0.648	S	S	.	*	H	α-helix	trans	-96.1	-17.1	-180	-97.5	-18.7	0	0	0	113.9	L10 Q16	L10-N12 VanDerWaalsContact C-N 3.3Å; L10-N12 PolarHBondContact O-N 2.95Å; N12-Q16 VanDerWaalsContact O-CB 3.24Å; N12-Q16 WeakPolarHBondContact O-CB 3.24Å; N12-Q16 VanDerWaalsContact O-CG 3.23Å; N12-Q16 WeakPolarHBondContact O-CG 3.44Å; N12-Q16 PolarHBondContact O-N 3.39Å
13	Q	39.8	Very low	38.3	Very low	114 Å²	114	116.9 Å²	116.9	53%	0.533	64%	0.64	S	S	.	*	H	α-helix	trans	-73.9	-31.2	170.8	-90.4	171.1	-38.4	0	0	112.5	V15 Q17	Q13-V15 VanDerWaalsContact C-N 3.35Å; Q13-Q17 WeakPolarHBondContact O-CB 3.3Å; Q13-Q17 WeakPolarHBondContact O-CG 3.41Å; Q13-Q17 PolarHBondContact O-N 2.72Å
14	I	39.2	Very low	38.4	Very low	117 Å²	117	119.7 Å²	119.7	60%	0.6	64%	0.642	S	S	*	*	H	α-helix	trans	-76.6	-25.6	175.5	-61.9	172.9	0	0	0	111.5	N18	I14-N18 PolarHBondContact O-ND2 3.32Å
15	V	43.2	Very low	38.7	Very low	78 Å²	78	116.5 Å²	116.5	47%	0.473	64%	0.639	S	S	.	*	H	α-helix	trans	-86	-29.5	174.6	177.4	0	0	0	0	111.8	G11 Q13 N18 N19	G11-V15 WeakPolarHBondContact O-CG2 2.99Å; Q13-V15 VanDerWaalsContact C-N 3.35Å; V15-N18 PolarHBondContact O-N 3.3Å; V15-N19 PolarHBondContact O-N 2.92Å; V15-N19 PolarHBondContact O-ND2 2.74Å
16	Q	41	Very low	38.8	Very low	132 Å²	132	120.6 Å²	120.6	62%	0.617	65%	0.648	S	S	*	*	H	α-helix	trans	-77.3	-27.9	172.2	-74.3	-178.3	-1.4	0	0	113.3	N12 N18 N19	N12-Q16 VanDerWaalsContact O-CB 3.24Å; N12-Q16 WeakPolarHBondContact O-CB 3.24Å; N12-Q16 VanDerWaalsContact O-CG 3.23Å; N12-Q16 WeakPolarHBondContact O-CG 3.44Å; N12-Q16 PolarHBondContact O-N 3.39Å; Q16-N18 VanDerWaalsContact C-N 3.28Å; Q16-N18 PolarHBondContact O-N 2.81Å; Q16-N19 PolarHBondContact O-N 2.98Å
17	Q	39.6	Very low	38.8	Very low	155 Å²	155	122 Å²	122	72%	0.724	65%	0.654	S	S	*	*	H	α-helix	trans	-72.1	-20.9	170.6	-75.5	-160.9	-6.7	0	0	113.6	Q13	Q13-Q17 WeakPolarHBondContact O-CB 3.3Å; Q13-Q17 WeakPolarHBondContact O-CG 3.41Å; Q13-Q17 PolarHBondContact O-N 2.72Å
18	N	39	Very low	38.9	Very low	116 Å²	116	120.5 Å²	120.5	62%	0.62	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	2.3	176.6	-72.8	-44.4	0	0	0	114.2	I14 V15 Q16	I14-N18 PolarHBondContact O-ND2 3.32Å; V15-N18 PolarHBondContact O-N 3.3Å; Q16-N18 VanDerWaalsContact C-N 3.28Å; Q16-N18 PolarHBondContact O-N 2.81Å
19	N	39.4	Very low	38.8	Very low	116 Å²	116	119.5 Å²	119.5	62%	0.62	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	14.5	175.5	-82.9	-17.8	0	0	0	113.8	V15 Q16	V15-N19 PolarHBondContact O-N 2.92Å; V15-N19 PolarHBondContact O-ND2 2.74Å; Q16-N19 PolarHBondContact O-N 2.98Å
20	L	34.2	Very low	39	Very low	123 Å²	123	121 Å²	121	64%	0.644	65%	0.65	S	S	*	*	S	Bend	trans	-94.5	3.5	178.7	-90.3	160.7	0	0	0	115.1
21	T	37.8	Very low	39.5	Very low	100 Å²	100	121 Å²	121	61%	0.613	65%	0.651	S	S	*	*			trans	-121	18.9	-168.3	20.2	0	0	0	0	115.8
22	I	38.9	Very low	40	Very low	140 Å²	140	124.1 Å²	124.1	72%	0.718	65%	0.652	S	S	*	*	S	Bend	trans	-90.2	-14.4	173.5	-65.9	176.6	0	0	0	113
23	N	37.2	Very low	40.7	Very low	146 Å²	146	121.9 Å²	121.9	78%	0.781	64%	0.644	S	S	*	*	S	Bend	trans	-122.9	7.4	-179	-69.5	-21.5	0	0	0	115.9
24	N	33.4	Very low	41.4	Very low	117 Å²	117	122.7 Å²	122.7	63%	0.626	65%	0.648	S	S	*	*			trans	-122.4	49.4	-175.8	-76.3	-24.4	0	0	0	113.3	K26	N24-K26 PolarHBondContact O-N 2.95Å
25	T	37.8	Very low	42.1	Very low	142 Å²	142	122.5 Å²	122.5	87%	0.871	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	29.2	173.7	41.9	0	0	0	0	114.5
26	K	43.6	Very low	42.7	Very low	190 Å²	190	123.9 Å²	123.9	83%	0.826	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	2.7	-173.2	-149.4	172.1	179.6	178.9	0	117.3	N24	N24-K26 PolarHBondContact O-N 2.95Å
27	M	36.2	Very low	43.2	Very low	183 Å²	183	121.9 Å²	121.9	90%	0.901	64%	0.641	S	S	*	*			trans	-152	48.8	-179	-70.4	-62.5	-130.9	0	0	114.7	G29	M27-G29 PolarHBondContact O-N 3.47Å
28	I	39.3	Very low	44.3	Very low	125 Å²	125	118.3 Å²	118.3	64%	0.641	63%	0.63	S	S	*	*			trans	-89.6	100.4	165.7	-61.7	175.1	0	0	0	107.1	H32	I28-H32 HydrophobicContact CG2-CB 4.24Å
29	G	39.9	Very low	45.1	Very low	45 Å²	45	118.8 Å²	118.8	46%	0.464	63%	0.632	S	S	.	*			trans	-62.6	146.3	178.6	0	0	0	0	0	112.6	M27 N31 H32	M27-G29 PolarHBondContact O-N 3.47Å; G29-N31 PolarHBondContact O-N 3.28Å; G29-H32 PolarHBondContact O-N 2.77Å; G29-H32 VanDerWaalsContact O-N 3.1Å
30	D	45.6	Very low	45.9	Very low	137 Å²	137	117.6 Å²	117.6	73%	0.733	62%	0.62	S	S	*	*	H	α-helix	trans	-50.9	-26.6	-168.6	-57.4	-37.8	0	0	0	115.1	H32 S33 E34	D30-H32 PolarHBondContact O-N 2.74Å; D30-S33 WeakPolarHBondContact O-CB 3.11Å; D30-S33 PolarHBondContact O-N 3.16Å; D30-E34 PolarHBondContact O-N 3.25Å
31	N	49.3	Very low	46.9	Very low	122 Å²	122	118.6 Å²	118.6	65%	0.652	62%	0.619	S	S	*	*	H	α-helix	trans	-66.8	-32.5	179.5	-79.2	-20.2	0	0	0	114.6	G29 Q35	G29-N31 PolarHBondContact O-N 3.28Å; N31-Q35 WeakPolarHBondContact O-CG 2.97Å; N31-Q35 PolarHBondContact O-N 3.08Å
32	H	47.9	Very low	47.7	Very low	113 Å²	113	117.7 Å²	117.7	52%	0.523	61%	0.613	S	S	.	*	H	α-helix	trans	-79.3	-29.6	178.7	-77.4	-82.6	0	0	0	111.8	I28 G29 D30 E34 Q35 I36	I28-H32 HydrophobicContact CG2-CB 4.24Å; G29-H32 PolarHBondContact O-N 2.77Å; G29-H32 VanDerWaalsContact O-N 3.1Å; D30-H32 PolarHBondContact O-N 2.74Å; H32-E34 VanDerWaalsContact C-N 3.33Å; H32-E34 PolarHBondContact O-N 3.29Å; H32-Q35 PolarHBondContact O-N 3.34Å; H32-I36 WeakPolarHBondContact O-CB 3.48Å; H32-I36 VanDerWaalsContact O-CG1 3.25Å; H32-I36 WeakPolarHBondContact O-CG1 3.34Å; H32-I36 PolarHBondContact O-N 3.3Å
33	S	52.5	Low	48.2	Very low	48 Å²	48	114 Å²	114	34%	0.336	60%	0.6	S	S	.	*	H	α-helix	trans	-61.7	-41.5	174.3	-53.2	0	0	0	0	111.4	D30 N37	D30-S33 WeakPolarHBondContact O-CB 3.11Å; D30-S33 PolarHBondContact O-N 3.16Å; S33-N37 VanDerWaalsContact O-CB 3.3Å; S33-N37 WeakPolarHBondContact O-CB 3.42Å; S33-N37 PolarHBondContact O-N 3.08Å; S33-N37 PolarHBondContact O-ND2 3.45Å
34	E	54.6	Low	48.5	Very low	132 Å²	132	109.3 Å²	109.3	62%	0.617	57%	0.574	S	S	*	*	H	α-helix	trans	-67.5	-41	174.9	-73.9	-167.4	162.3	0	0	112.9	D30 H32 I36 N37 T38	D30-E34 PolarHBondContact O-N 3.25Å; H32-E34 VanDerWaalsContact C-N 3.33Å; H32-E34 PolarHBondContact O-N 3.29Å; E34-I36 PolarHBondContact O-N 3.49Å; E34-N37 PolarHBondContact O-N 3.03Å; E34-T38 WeakPolarHBondContact O-CB 3.46Å; E34-T38 PolarHBondContact O-N 3.39Å; E34-T38 PolarHBondContact O-OG1 2.96Å
35	Q	53.9	Low	49	Very low	113 Å²	113	110.5 Å²	110.5	53%	0.528	58%	0.579	S	S	.	*	H	α-helix	trans	-63.4	-42.1	176.6	-71.5	178.7	0.9	0	0	111.8	N31 H32 T38 L39	N31-Q35 WeakPolarHBondContact O-CG 2.97Å; N31-Q35 PolarHBondContact O-N 3.08Å; H32-Q35 PolarHBondContact O-N 3.34Å; Q35-T38 PolarHBondContact O-N 3.36Å; Q35-L39 WeakPolarHBondContact O-CB 3Å; Q35-L39 WeakPolarHBondContact O-CG 3.41Å; Q35-L39 PolarHBondContact O-N 3.41Å
36	I	55.1	Low	49.5	Very low	107 Å²	107	108 Å²	108	55%	0.549	57%	0.567	S	S	.	*	H	α-helix	trans	-64.1	-45	175.2	-67.8	166.6	0	0	0	110.3	H32 E34 T38 L39 Y40	H32-I36 WeakPolarHBondContact O-CB 3.48Å; H32-I36 VanDerWaalsContact O-CG1 3.25Å; H32-I36 WeakPolarHBondContact O-CG1 3.34Å; H32-I36 PolarHBondContact O-N 3.3Å; E34-I36 PolarHBondContact O-N 3.49Å; I36-T38 VanDerWaalsContact C-N 3.3Å; I36-T38 PolarHBondContact O-N 3.39Å; I36-L39 PolarHBondContact O-N 3.19Å; I36-Y40 WeakPolarHBondContact O-CB 3.27Å; I36-Y40 PolarHBondContact O-N 2.83Å
37	N	52.8	Low	49.5	Very low	89 Å²	89	103.2 Å²	103.2	48%	0.476	55%	0.55	S	S	.	*	H	α-helix	trans	-64	-34.6	176.6	-76.6	-25.4	0	0	0	112.7	S33 E34 K41	S33-N37 VanDerWaalsContact O-CB 3.3Å; S33-N37 WeakPolarHBondContact O-CB 3.42Å; S33-N37 PolarHBondContact O-N 3.08Å; S33-N37 PolarHBondContact O-ND2 3.45Å; E34-N37 PolarHBondContact O-N 3.03Å; N37-K41 WeakPolarHBondContact O-CB 3.33Å; N37-K41 WeakPolarHBondContact O-CG 3.24Å; N37-K41 PolarHBondContact O-N 3.39Å
38	T	62.5	Low	49.5	Very low	81 Å²	81	102.9 Å²	102.9	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-71.4	-49.3	177.4	-53	0	0	0	0	110.3	E34 Q35 I36 Y40 K41 T42	E34-T38 WeakPolarHBondContact O-CB 3.46Å; E34-T38 PolarHBondContact O-N 3.39Å; E34-T38 PolarHBondContact O-OG1 2.96Å; Q35-T38 PolarHBondContact O-N 3.36Å; I36-T38 VanDerWaalsContact C-N 3.3Å; I36-T38 PolarHBondContact O-N 3.39Å; T38-Y40 VanDerWaalsContact C-N 3.27Å; T38-Y40 PolarHBondContact O-N 3.26Å; T38-K41 PolarHBondContact O-N 3.13Å; T38-K41 VanDerWaalsContact O-N 3.16Å; T38-T42 WeakPolarHBondContact O-CB 3.44Å; T38-T42 PolarHBondContact O-N 3.41Å; T38-T42 PolarHBondContact O-OG1 3.37Å
39	L	54.6	Low	49.7	Very low	125 Å²	125	102 Å²	102	65%	0.654	55%	0.548	S	S	*	.	H	α-helix	trans	-58.7	-40.2	174.8	-74.1	168.8	0	0	0	111.7	Q35 I36 S43	Q35-L39 WeakPolarHBondContact O-CB 3Å; Q35-L39 WeakPolarHBondContact O-CG 3.41Å; Q35-L39 PolarHBondContact O-N 3.41Å; I36-L39 PolarHBondContact O-N 3.19Å; L39-S43 VanDerWaalsContact O-CB 3.28Å; L39-S43 WeakPolarHBondContact O-CB 3.29Å; L39-S43 PolarHBondContact O-N 3.36Å
40	Y	56.1	Low	49.8	Very low	92 Å²	92	109.6 Å²	109.6	36%	0.361	57%	0.568	S	S	.	*	H	α-helix	trans	-62.2	-51.1	173.9	-172.9	-95.9	0	0	0	110.9	I36 T38 T42 S43 M44	I36-Y40 WeakPolarHBondContact O-CB 3.27Å; I36-Y40 PolarHBondContact O-N 2.83Å; T38-Y40 VanDerWaalsContact C-N 3.27Å; T38-Y40 PolarHBondContact O-N 3.26Å; Y40-T42 PolarHBondContact O-N 2.91Å; Y40-S43 PolarHBondContact O-N 3.02Å; Y40-M44 HydrophobicContact CD1-CG 3.84Å; Y40-M44 HydrophobicContact CD2-CE 3.93Å; Y40-M44 HydrophobicContact CE1-CE 3.99Å; Y40-M44 HydrophobicContact CE1-CG 3.69Å; Y40-M44 HydrophobicContact CE1-SD 4.14Å; Y40-M44 HydrophobicContact CE2-CE 3.24Å; Y40-M44 HydrophobicContact CE2-CG 4.4Å; Y40-M44 HydrophobicContact CE2-SD 4.42Å; Y40-M44 HydrophobicContact CG-CG 4.25Å; Y40-M44 VanDerWaalsContact O-CB 3.25Å; Y40-M44 WeakPolarHBondContact O-CB 3.21Å; Y40-M44 WeakPolarHBondContact O-CG 3.5Å; Y40-M44 PolarHBondContact O-N 3.31Å; Y40-M44 WeakPolarHBondContact OH-CE 3.43Å
41	K	57	Low	49.6	Very low	143 Å²	143	106.8 Å²	106.8	62%	0.622	56%	0.556	S	S	*	*	H	α-helix	trans	-58.8	-45.2	175.8	-80.7	178.5	178.9	177.9	0	112.6	N37 T38 S43 M44 I45	N37-K41 WeakPolarHBondContact O-CB 3.33Å; N37-K41 WeakPolarHBondContact O-CG 3.24Å; N37-K41 PolarHBondContact O-N 3.39Å; T38-K41 PolarHBondContact O-N 3.13Å; T38-K41 VanDerWaalsContact O-N 3.16Å; K41-S43 VanDerWaalsContact C-N 3.34Å; K41-S43 PolarHBondContact O-N 3.33Å; K41-M44 PolarHBondContact O-N 3.3Å; K41-I45 VanDerWaalsContact O-CG1 3.26Å; K41-I45 WeakPolarHBondContact O-CG1 3.47Å; K41-I45 PolarHBondContact O-N 3.04Å
42	T	52.7	Low	49.1	Very low	82 Å²	82	107.7 Å²	107.7	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-64.5	-38.6	179.2	-50.4	0	0	0	0	111.6	T38 Y40 S46	T38-T42 WeakPolarHBondContact O-CB 3.44Å; T38-T42 PolarHBondContact O-N 3.41Å; T38-T42 PolarHBondContact O-OG1 3.37Å; Y40-T42 PolarHBondContact O-N 2.91Å; T42-S46 PolarHBondContact O-OG 3.19Å
43	S	49.5	Very low	48.7	Very low	63 Å²	63	108 Å²	108	44%	0.441	58%	0.575	S	S	.	*	H	α-helix	trans	-70.5	-33.5	174.1	-174	0	0	0	0	112.6	L39 Y40 K41 S46	L39-S43 VanDerWaalsContact O-CB 3.28Å; L39-S43 WeakPolarHBondContact O-CB 3.29Å; L39-S43 PolarHBondContact O-N 3.36Å; Y40-S43 PolarHBondContact O-N 3.02Å; K41-S43 VanDerWaalsContact C-N 3.34Å; K41-S43 PolarHBondContact O-N 3.33Å; S43-S46 PolarHBondContact O-N 2.81Å
44	M	44.2	Very low	48	Very low	47 Å²	47	111.6 Å²	111.6	23%	0.232	59%	0.589	C	S	.	*	H	α-helix	trans	-77.5	-26.6	179.4	-68.5	-78.9	156.1	0	0	113.2	Y40 K41 S46 I67	Y40-M44 HydrophobicContact CD1-CG 3.84Å; Y40-M44 HydrophobicContact CD2-CE 3.93Å; Y40-M44 HydrophobicContact CE1-CE 3.99Å; Y40-M44 HydrophobicContact CE1-CG 3.69Å; Y40-M44 HydrophobicContact CE1-SD 4.14Å; Y40-M44 HydrophobicContact CE2-CE 3.24Å; Y40-M44 HydrophobicContact CE2-CG 4.4Å; Y40-M44 HydrophobicContact CE2-SD 4.42Å; Y40-M44 HydrophobicContact CG-CG 4.25Å; Y40-M44 VanDerWaalsContact O-CB 3.25Å; Y40-M44 WeakPolarHBondContact O-CB 3.21Å; Y40-M44 WeakPolarHBondContact O-CG 3.5Å; Y40-M44 PolarHBondContact O-N 3.31Å; Y40-M44 WeakPolarHBondContact OH-CE 3.43Å; K41-M44 PolarHBondContact O-N 3.3Å; M44-S46 VanDerWaalsContact C-N 3.26Å; M44-I67 HydrophobicContact CE-CG2 4.01Å
45	I	44.4	Very low	47.3	Very low	141 Å²	141	108.9 Å²	108.9	72%	0.723	59%	0.585	S	S	*	*	H	α-helix	trans	-70.3	-27.6	170.5	-68.4	161.9	0	0	0	110.8	K41	K41-I45 VanDerWaalsContact O-CG1 3.26Å; K41-I45 WeakPolarHBondContact O-CG1 3.47Å; K41-I45 PolarHBondContact O-N 3.04Å
46	S	48.7	Very low	46.7	Very low	89 Å²	89	109.9 Å²	109.9	62%	0.622	60%	0.599	S	S	*	*	H	α-helix	trans	-79.7	-19.7	-176.2	-54.1	0	0	0	0	113.5	T42 S43 M44	T42-S46 PolarHBondContact O-OG 3.19Å; S43-S46 PolarHBondContact O-N 2.81Å; M44-S46 VanDerWaalsContact C-N 3.26Å
47	N	42.4	Very low	45.9	Very low	90 Å²	90	110.7 Å²	110.7	48%	0.481	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.4	113.2	179	-63.6	-33.2	0	0	0	107.6	I49	N47-I49 HydrophobicContact CB-CD1 3.87Å; N47-I49 HydrophobicContact CB-CG1 3.93Å; N47-I49 PolarHBondContact O-N 3.2Å
48	N	36.9	Very low	45.4	Very low	176 Å²	176	117.3 Å²	117.3	94%	0.941	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	56.9	178.2	-94.9	-28.3	0	0	0	113.9
49	I	43	Very low	44.5	Very low	106 Å²	106	117.8 Å²	117.8	54%	0.544	62%	0.622	S	S	.	*			trans	-102.8	103.2	-177.4	-52.9	177.1	0	0	0	107.4	N47 V51	N47-I49 HydrophobicContact CB-CD1 3.87Å; N47-I49 HydrophobicContact CB-CG1 3.93Å; N47-I49 PolarHBondContact O-N 3.2Å; I49-V51 HydrophobicContact CB-CG2 4.37Å; I49-V51 HydrophobicContact CG2-CG2 3.43Å; I49-V51 VanDerWaalsContact CG2-CG2 3.43Å; I49-V51 PolarHBondContact O-N 2.93Å; I49-V51 VanDerWaalsContact O-N 3.07Å
50	K	42.4	Very low	44	Very low	205 Å²	205	115.1 Å²	115.1	89%	0.891	61%	0.61	S	S	*	*			trans	-69.7	96.4	166.2	-82.5	-179.5	175.6	178.3	0	108.8
51	V	41.1	Very low	43.3	Very low	79 Å²	79	119.3 Å²	119.3	48%	0.479	63%	0.631	S	S	.	*			trans	-105.6	108.2	166.4	-160.1	0	0	0	0	107.9	I49 S53 I54	I49-V51 HydrophobicContact CB-CG2 4.37Å; I49-V51 HydrophobicContact CG2-CG2 3.43Å; I49-V51 VanDerWaalsContact CG2-CG2 3.43Å; I49-V51 PolarHBondContact O-N 2.93Å; I49-V51 VanDerWaalsContact O-N 3.07Å; V51-S53 PolarHBondContact O-N 3Å; V51-I54 HydrophobicContact CG1-CD1 3.53Å; V51-I54 HydrophobicContact CG1-CG1 4.02Å
52	N	40.1	Very low	42.6	Very low	140 Å²	140	118 Å²	118	75%	0.749	63%	0.627	S	S	*	*			trans	-59.4	124.2	172.3	-67.3	-24.6	0	0	0	109.1	I54	N52-I54 PolarHBondContact O-N 3.2Å; N52-I54 VanDerWaalsContact O-N 3.16Å
53	S	38	Very low	42.3	Very low	120 Å²	120	116.2 Å²	116.2	84%	0.839	62%	0.618	S	S	*	*			trans	16	82.2	163.3	60.8	0	0	0	0	116.2	V51	V51-S53 PolarHBondContact O-N 3Å
54	I	38.8	Very low	41.8	Very low	123 Å²	123	116.8 Å²	116.8	63%	0.631	62%	0.615	S	S	*	*			trans	-83.6	119.3	162.1	-67	171.4	0	0	0	106.5	V51 N52 T56	V51-I54 HydrophobicContact CG1-CD1 3.53Å; V51-I54 HydrophobicContact CG1-CG1 4.02Å; N52-I54 PolarHBondContact O-N 3.2Å; N52-I54 VanDerWaalsContact O-N 3.16Å; I54-T56 PolarHBondContact O-N 3.23Å
55	S	39.8	Very low	41.8	Very low	76 Å²	76	121.4 Å²	121.4	53%	0.531	63%	0.63	S	S	.	*			trans	-49.6	137.8	174.9	-170.6	0	0	0	0	110.4	D57	S55-D57 PolarHBondContact O-N 3.07Å; S55-D57 PolarHBondContact OG-OD2 3.41Å
56	T	41.3	Very low	41.9	Very low	133 Å²	133	119.8 Å²	119.8	82%	0.816	63%	0.627	S	S	*	*	S	Bend	trans	-65.7	-0.4	-179.8	43.4	0	0	0	0	113.9	I54 R58	I54-T56 PolarHBondContact O-N 3.23Å; T56-R58 PolarHBondContact O-N 2.67Å
57	D	38	Very low	41.6	Very low	125 Å²	125	119.5 Å²	119.5	67%	0.668	62%	0.618	S	S	*	*	S	Bend	trans	-90.3	107.3	-178.3	-58.4	-31.1	0	0	0	110.2	S55	S55-D57 PolarHBondContact O-N 3.07Å; S55-D57 PolarHBondContact OG-OD2 3.41Å
58	R	42.5	Very low	41.5	Very low	227 Å²	227	120.7 Å²	120.7	86%	0.857	62%	0.623	S	S	*	*			trans	66.9	73.8	172.2	-60.1	179.1	171.1	-176.9	-2.4	115.4	T56 T60	T56-R58 PolarHBondContact O-N 2.67Å; R58-T60 VanDerWaalsContact C-N 3.32Å; R58-T60 HydrophobicContact CB-CG2 4.47Å; R58-T60 PolarHBondContact O-N 2.63Å
59	I	42.6	Very low	41.5	Very low	92 Å²	92	117.2 Å²	117.2	47%	0.472	61%	0.61	S	S	.	*			trans	-63.9	99.3	150.6	-59.6	173.1	0	0	0	106.9	I64	I59-I64 HydrophobicContact CG2-CD1 3.99Å; I59-I64 HydrophobicContact CG2-CG1 3.7Å
60	T	45.5	Very low	41.4	Very low	68 Å²	68	115.4 Å²	115.4	42%	0.417	60%	0.599	S	S	.	*			trans	-74.4	153.1	175.5	61.8	0	0	0	0	110.1	R58 E62 S63 I64	R58-T60 VanDerWaalsContact C-N 3.32Å; R58-T60 HydrophobicContact CB-CG2 4.47Å; R58-T60 PolarHBondContact O-N 2.63Å; T60-E62 PolarHBondContact O-N 2.98Å; T60-S63 PolarHBondContact N-OG 2.95Å; T60-S63 WeakPolarHBondContact O-CA 3.47Å; T60-S63 VanDerWaalsContact O-CB 3.27Å; T60-S63 WeakPolarHBondContact O-CB 3.48Å; T60-S63 PolarHBondContact O-N 3.45Å; T60-S63 PolarHBondContact O-OG 3.09Å; T60-S63 PolarHBondContact OG1-N 2.85Å; T60-S63 PolarHBondContact OG1-OG 3.12Å; T60-I64 PolarHBondContact O-N 3.43Å
61	F	40.9	Very low	41	Very low	181 Å²	181	115.1 Å²	115.1	79%	0.794	59%	0.594	S	S	*	*	H	α-helix	trans	-51.6	-29.6	171.8	-100.1	-88.6	0	0	0	112.3	I64 R65	F61-I64 PolarHBondContact O-N 3Å; F61-R65 PolarHBondContact O-N 3.45Å; F61-R65 VanDerWaalsContact O-N 3.11Å
62	E	42.5	Very low	40.8	Very low	116 Å²	116	115.5 Å²	115.5	54%	0.542	60%	0.597	S	S	.	*	H	α-helix	trans	-68.1	-33.6	174.2	-66.7	-50.9	147.2	0	0	113.8	T60 I64 R65	T60-E62 PolarHBondContact O-N 2.98Å; E62-I64 VanDerWaalsContact C-N 3.28Å; E62-I64 PolarHBondContact O-N 2.84Å; E62-R65 PolarHBondContact O-N 3.45Å; E62-R65 WeakPolarHBondContact OE2-CD 3.48Å
63	S	45.5	Very low	40.5	Very low	44 Å²	44	116.5 Å²	116.5	31%	0.308	60%	0.595	S	S	.	*	H	α-helix	trans	-66.5	-33.5	173	-46	0	0	0	0	111.3	T60 T66 I67	T60-S63 PolarHBondContact N-OG 2.95Å; T60-S63 WeakPolarHBondContact O-CA 3.47Å; T60-S63 VanDerWaalsContact O-CB 3.27Å; T60-S63 WeakPolarHBondContact O-CB 3.48Å; T60-S63 PolarHBondContact O-N 3.45Å; T60-S63 PolarHBondContact O-OG 3.09Å; T60-S63 PolarHBondContact OG1-N 2.85Å; T60-S63 PolarHBondContact OG1-OG 3.12Å; S63-T66 PolarHBondContact O-N 3.42Å; S63-T66 PolarHBondContact O-OG1 3.28Å; S63-I67 WeakPolarHBondContact O-CG1 3.45Å
64	I	39.4	Very low	40.1	Very low	75 Å²	75	117.7 Å²	117.7	39%	0.385	59%	0.592	S	S	.	*	H	α-helix	trans	-74	-36.9	178.8	-60.9	173.7	0	0	0	111.5	I59 T60 F61 E62 T66 I67 L68	I59-I64 HydrophobicContact CG2-CD1 3.99Å; I59-I64 HydrophobicContact CG2-CG1 3.7Å; T60-I64 PolarHBondContact O-N 3.43Å; F61-I64 PolarHBondContact O-N 3Å; E62-I64 VanDerWaalsContact C-N 3.28Å; E62-I64 PolarHBondContact O-N 2.84Å; I64-T66 PolarHBondContact O-N 3.21Å; I64-I67 PolarHBondContact O-N 3.01Å; I64-I67 VanDerWaalsContact O-N 3.09Å; I64-L68 HydrophobicContact CG2-CD1 4.43Å; I64-L68 PolarHBondContact O-N 3.01Å
65	R	44.5	Very low	40.3	Very low	143 Å²	143	115.7 Å²	115.7	54%	0.54	58%	0.58	S	S	.	*	H	α-helix	trans	-55.3	-34	173	-89.5	-175.2	-174.3	-96.8	-10.2	112.8	F61 E62 I67 E70	F61-R65 PolarHBondContact O-N 3.45Å; F61-R65 VanDerWaalsContact O-N 3.11Å; E62-R65 PolarHBondContact O-N 3.45Å; E62-R65 WeakPolarHBondContact OE2-CD 3.48Å; R65-I67 VanDerWaalsContact C-N 3.35Å; R65-E70 IonicContact CZ-OE1 2.74Å; R65-E70 IonicContact NE-OE1 2.86Å; R65-E70 IonicContact NH1-OE1 3.44Å; R65-E70 PolarHBondContact NH1-OE1 3.49Å; R65-E70 IonicContact NH1-OE2 3.15Å; R65-E70 IonicContact NH2-OE1 3.85Å
66	T	45.9	Very low	40.1	Very low	107 Å²	107	124.1 Å²	124.1	66%	0.656	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-14.9	-179.1	59.9	0	0	0	0	114.7	S63 I64	S63-T66 PolarHBondContact O-N 3.42Å; S63-T66 PolarHBondContact O-OG1 3.28Å; I64-T66 PolarHBondContact O-N 3.21Å
67	I	42.5	Very low	40.2	Very low	84 Å²	84	121 Å²	121	43%	0.431	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.9	-18.7	-174.9	-61.6	169.8	0	0	0	111.8	M44 S63 I64 R65	M44-I67 HydrophobicContact CE-CG2 4.01Å; S63-I67 WeakPolarHBondContact O-CG1 3.45Å; I64-I67 PolarHBondContact O-N 3.01Å; I64-I67 VanDerWaalsContact O-N 3.09Å; R65-I67 VanDerWaalsContact C-N 3.35Å
68	L	39.6	Very low	40.1	Very low	114 Å²	114	121.1 Å²	121.1	60%	0.597	58%	0.579	S	S	*	*	S	Bend	trans	-121.3	108.9	176.4	-70.6	167.7	0	0	0	109.2	I64 E70	I64-L68 HydrophobicContact CG2-CD1 4.43Å; I64-L68 PolarHBondContact O-N 3.01Å; L68-E70 PolarHBondContact O-N 3.43Å
69	P	37.9	Very low	40.2	Very low	103 Å²	103	113.5 Å²	113.5	67%	0.669	55%	0.55	S	S	*	*			trans	-56.6	111.5	169.7	-16.9	28.4	0	0	0	107.4	Y71	P69-Y71 PolarHBondContact O-N 2.98Å; P69-Y71 VanDerWaalsContact O-N 3.08Å
70	E	39.7	Very low	40.2	Very low	68 Å²	68	111.3 Å²	111.3	32%	0.318	54%	0.543	S	S	.	.			trans	-50.7	119.3	-168.7	-71.6	-157.3	149.6	0	0	112.6	R65 L68 T72 R171	R65-E70 IonicContact CZ-OE1 2.74Å; R65-E70 IonicContact NE-OE1 2.86Å; R65-E70 IonicContact NH1-OE1 3.44Å; R65-E70 PolarHBondContact NH1-OE1 3.49Å; R65-E70 IonicContact NH1-OE2 3.15Å; R65-E70 IonicContact NH2-OE1 3.85Å; L68-E70 PolarHBondContact O-N 3.43Å; E70-T72 HydrophobicContact CB-CG2 3.88Å; E70-T72 VanDerWaalsContact CB-OG1 3.25Å; E70-T72 WeakPolarHBondContact CB-OG1 3.38Å; E70-T72 VanDerWaalsContact CD-CG2 3.43Å; E70-T72 HydrophobicContact CG-CG2 4.13Å; E70-T72 PolarHBondContact O-N 3.21Å; E70-T72 WeakPolarHBondContact OE2-CB 3.43Å; E70-T72 WeakPolarHBondContact OE2-CG2 3.23Å; E70-T72 PolarHBondContact OE2-OG1 2.67Å; E70-R171 PolarHBondContact O-NH2 2.93Å; E70-R171 VanDerWaalsContact O-NH2 3.12Å
71	Y	35	Very low	40.2	Very low	199 Å²	199	116 Å²	116	78%	0.78	56%	0.56	S	S	*	*			trans	-70.1	56.7	148.1	-96.6	-95	0	0	0	108.7	P69 F73	P69-Y71 PolarHBondContact O-N 2.98Å; P69-Y71 VanDerWaalsContact O-N 3.08Å; Y71-F73 PolarHBondContact O-N 2.81Å
72	T	37.6	Very low	40.6	Very low	87 Å²	87	109.8 Å²	109.8	53%	0.534	54%	0.535	S	S	.	.			trans	-97.6	90.7	168.8	50.6	0	0	0	0	108.5	E70 N74	E70-T72 HydrophobicContact CB-CG2 3.88Å; E70-T72 VanDerWaalsContact CB-OG1 3.25Å; E70-T72 WeakPolarHBondContact CB-OG1 3.38Å; E70-T72 VanDerWaalsContact CD-CG2 3.43Å; E70-T72 HydrophobicContact CG-CG2 4.13Å; E70-T72 PolarHBondContact O-N 3.21Å; E70-T72 WeakPolarHBondContact OE2-CB 3.43Å; E70-T72 WeakPolarHBondContact OE2-CG2 3.23Å; E70-T72 PolarHBondContact OE2-OG1 2.67Å; T72-N74 VanDerWaalsContact C-N 3.33Å; T72-N74 PolarHBondContact O-N 3Å
73	F	31.9	Very low	40.8	Very low	162 Å²	162	107.7 Å²	107.7	71%	0.711	53%	0.533	S	S	*	.			trans	-56.3	91.4	161.7	-174.4	-91.2	0	0	0	108.6	Y71	Y71-F73 PolarHBondContact O-N 2.81Å
74	N	31.6	Very low	40.9	Very low	144 Å²	144	113.1 Å²	113.1	77%	0.77	55%	0.554	S	S	*	*			trans	-175.1	80.8	160.6	-89	-32.4	0	0	0	112.1	T72	T72-N74 VanDerWaalsContact C-N 3.33Å; T72-N74 PolarHBondContact O-N 3Å
75	E	42.2	Very low	41.1	Very low	82 Å²	82	116.1 Å²	116.1	38%	0.383	57%	0.566	S	S	.	*			trans	-121.4	113.3	158.4	-69.9	-163.1	141.1	0	0	111.6	L77 R121 R174	E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 2.77Å; E75-R121 PolarHBondContact O-NH1 3.34Å; E75-R121 PolarHBondContact O-NH2 3.1Å; E75-R174 IonicContact OE1-CZ 3.03Å; E75-R174 IonicContact OE1-NH1 2.63Å; E75-R174 PolarHBondContact OE1-NH1 3.36Å; E75-R174 IonicContact OE1-NH2 2.67Å; E75-R174 PolarHBondContact OE1-NH2 3.47Å; E75-R174 IonicContact OE2-NH2 3.41Å; E75-R174 PolarHBondContact OE2-NH2 3Å
76	R	34.4	Very low	41.4	Very low	252 Å²	252	114.6 Å²	114.6	95%	0.951	57%	0.569	S	S	*	*			trans	-78.9	73.2	-179.7	-165.5	178.2	-174.4	-179.8	1	109
77	L	43.5	Very low	41.5	Very low	68 Å²	68	118.1 Å²	118.1	36%	0.356	58%	0.575	S	S	.	*			trans	-85.6	128.7	167.6	-72.5	161.8	0	0	0	110.5	E75 Y79 N167	E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 2.77Å; L77-Y79 HydrophobicContact CB-CD2 4.4Å; L77-Y79 HydrophobicContact CB-CE1 4.02Å; L77-Y79 HydrophobicContact CB-CE2 3.82Å; L77-Y79 WeakPolarHBondContact CD1-OH 3.44Å; L77-Y79 VanDerWaalsContact O-CD2 3.24Å; L77-Y79 WeakPolarHBondContact O-CD2 3.42Å; L77-Y79 PolarHBondContact O-N 3.4Å; L77-Y79 VanDerWaalsContact O-N 3.08Å; L77-N167 WeakPolarHBondContact CD1-ND2 3.42Å; L77-N167 WeakPolarHBondContact CD1-OD1 3.44Å
78	N	35.9	Very low	41.6	Very low	128 Å²	128	121.9 Å²	121.9	68%	0.684	59%	0.59	S	S	*	*			trans	-73.7	87.1	-178.1	-172.5	10.8	0	0	0	110.1	S80	N78-S80 VanDerWaalsContact C-N 3.25Å; N78-S80 PolarHBondContact O-N 2.97Å; N78-S80 PolarHBondContact OD1-OG 3.27Å
79	Y	45.8	Very low	41.6	Very low	67 Å²	67	123.1 Å²	123.1	26%	0.263	60%	0.598	S	S	.	*			trans	-86.3	24	-177.6	-67.1	-55.3	0	0	0	114.7	L77 E81 L82 I163 N167	L77-Y79 HydrophobicContact CB-CD2 4.4Å; L77-Y79 HydrophobicContact CB-CE1 4.02Å; L77-Y79 HydrophobicContact CB-CE2 3.82Å; L77-Y79 WeakPolarHBondContact CD1-OH 3.44Å; L77-Y79 VanDerWaalsContact O-CD2 3.24Å; L77-Y79 WeakPolarHBondContact O-CD2 3.42Å; L77-Y79 PolarHBondContact O-N 3.4Å; L77-Y79 VanDerWaalsContact O-N 3.08Å; Y79-E81 PolarHBondContact O-N 3.43Å; Y79-E81 VanDerWaalsContact O-N 3.08Å; Y79-L82 HydrophobicContact CD1-CD1 3.31Å; Y79-L82 HydrophobicContact CD1-CG 4.48Å; Y79-L82 HydrophobicContact CE1-CD1 4.07Å; Y79-L82 HydrophobicContact CG-CD1 4.01Å; Y79-L82 PolarHBondContact O-N 3.18Å; Y79-I163 HydrophobicContact CD1-CD1 4.15Å; Y79-I163 HydrophobicContact CE1-CB 4.46Å; Y79-I163 HydrophobicContact CE1-CD1 3.76Å; Y79-I163 HydrophobicContact CE1-CG1 4.22Å; Y79-I163 HydrophobicContact CE1-CG2 3.47Å; Y79-I163 VanDerWaalsContact CE1-CG2 3.47Å; Y79-I163 WeakPolarHBondContact OH-CG2 3.5Å; Y79-N167 PolarHBondContact OH-ND2 3.43Å
80	S	42.7	Very low	41.7	Very low	45 Å²	45	125.9 Å²	125.9	32%	0.315	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.6	-11	-173	-51.9	0	0	0	0	114.6	N78 R118	N78-S80 VanDerWaalsContact C-N 3.25Å; N78-S80 PolarHBondContact O-N 2.97Å; N78-S80 PolarHBondContact OD1-OG 3.27Å; S80-R118 PolarHBondContact OG-NE 3.36Å; S80-R118 VanDerWaalsContact OG-NE 3.16Å; S80-R118 PolarHBondContact OG-NH2 2.95Å
81	E	46.2	Very low	41.7	Very low	168 Å²	168	128 Å²	128	79%	0.785	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	0.2	-179.6	-79.4	172.1	151.9	0	0	114.2	Y79	Y79-E81 PolarHBondContact O-N 3.43Å; Y79-E81 VanDerWaalsContact O-N 3.08Å
82	L	48	Very low	41.9	Very low	50 Å²	50	125.2 Å²	125.2	26%	0.262	62%	0.623	S	S	.	*	S	Bend	trans	-97.1	-7.9	-169.3	-68.2	176.9	0	0	0	115.9	Y79 T159 I163	Y79-L82 HydrophobicContact CD1-CD1 3.31Å; Y79-L82 HydrophobicContact CD1-CG 4.48Å; Y79-L82 HydrophobicContact CE1-CD1 4.07Å; Y79-L82 HydrophobicContact CG-CD1 4.01Å; Y79-L82 PolarHBondContact O-N 3.18Å; L82-T159 HydrophobicContact CD1-CG2 4.31Å; L82-T159 HydrophobicContact CD2-CG2 3.23Å; L82-T159 HydrophobicContact CG-CG2 4.37Å; L82-I163 HydrophobicContact CD1-CD1 3.19Å; L82-I163 HydrophobicContact CD2-CD1 4.26Å; L82-I163 HydrophobicContact CG-CD1 4.35Å
83	S	47.2	Very low	42	Very low	72 Å²	72	129.3 Å²	129.3	50%	0.503	64%	0.636	S	S	.	*	S	Bend	trans	-89.4	-5.2	-179.9	54.4	0	0	0	0	114.2
84	E	47	Very low	42.6	Very low	157 Å²	157	131.2 Å²	131.2	73%	0.734	64%	0.644	S	S	*	*	S	Bend	trans	-94.4	-17.2	-175.1	-69.8	-177.1	176.7	0	0	113.7
85	Q	44.6	Very low	43.3	Very low	139 Å²	139	130.3 Å²	130.3	65%	0.65	64%	0.644	S	S	*	*	S	Bend	trans	-95.3	-16.8	-175.5	-69.4	-175	-22.5	0	0	115	K87	Q85-K87 VanDerWaalsContact C-N 3.26Å; Q85-K87 PolarHBondContact O-N 2.89Å
86	D	50.8	Low	43.2	Very low	110 Å²	110	133.1 Å²	133.1	59%	0.588	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	5.2	-178.3	-79.3	-24.7	0	0	0	114.2
87	K	47.6	Very low	43.5	Very low	182 Å²	182	126 Å²	126	79%	0.791	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-6.3	177.6	-75.1	-171.4	177.6	-177	0	115.4	Q85	Q85-K87 VanDerWaalsContact C-N 3.26Å; Q85-K87 PolarHBondContact O-N 2.89Å
88	H	43.6	Very low	43.5	Very low	162 Å²	162	129.3 Å²	129.3	75%	0.75	67%	0.669	S	S	*	*	S	Bend	trans	-113.5	11.7	-167.2	-82.1	-60.2	0	0	0	117.6
89	N	40.6	Very low	44	Very low	141 Å²	141	131 Å²	131	75%	0.754	68%	0.678	S	S	*	*			trans	-119.5	20.4	-176.1	-70.2	-22.1	0	0	0	116.3
90	N	40.2	Very low	43.8	Very low	160 Å²	160	133.1 Å²	133.1	86%	0.856	70%	0.702	S	S	*	*	S	Bend	trans	-110.2	90.9	164.8	-83.5	-24.9	0	0	0	109.9
91	T	40.3	Very low	43.7	Very low	114 Å²	114	138.5 Å²	138.5	70%	0.699	72%	0.724	S	S	*	*			trans	31.2	104.1	130.2	-45.2	0	0	0	0	117.6
92	D	37.4	Very low	43.6	Very low	139 Å²	139	137.6 Å²	137.6	74%	0.743	72%	0.724	S	S	*	*				55.9	133.3	127	-57.6	-34.5	0	0	0	122
93	Q	40.7	Very low	43.7	Very low	173 Å²	173	143 Å²	143	81%	0.808	75%	0.748	S	S	*	*			trans	72.2	102.8	160.4	-63.7	172	17.6	0	0	116
94	F	44.8	Very low	43.4	Very low	202 Å²	202	146.8 Å²	146.8	89%	0.886	76%	0.762	S	S	*	*				-173	103	126.8	-95	-72	0	0	0	110.3
95	V	45	Very low	43.4	Very low	125 Å²	125	145.7 Å²	145.7	76%	0.758	76%	0.761	S	S	*	*			trans	46.5	103.8	136.2	-162.5	0	0	0	0	119.9
96	N	40.3	Very low	43.6	Very low	141 Å²	141	146.8 Å²	146.8	75%	0.754	77%	0.771	S	S	*	*				31.3	118.2	121.5	-133	15.5	0	0	0	119.2
97	S	41.2	Very low	43.5	Very low	104 Å²	104	147 Å²	147	73%	0.727	77%	0.773	S	S	*	*				170.3	115.4	123	-76.2	0	0	0	0	112.3
98	N	43	Very low	43.6	Very low	137 Å²	137	146.1 Å²	146.1	73%	0.733	78%	0.775	S	S	*	*			trans	25.6	118.2	135.5	-52.1	-25.8	0	0	0	118.6
99	N	47.5	Very low	43.9	Very low	163 Å²	163	143.7 Å²	143.7	87%	0.872	77%	0.771	S	S	*	*				-166.9	119.3	117.4	-95.7	-18.3	0	0	0	112.1
100	S	41.3	Very low	44.3	Very low	112 Å²	112	147.1 Å²	147.1	78%	0.783	78%	0.775	S	S	*	*			trans	-58.9	131.8	161.9	47.6	0	0	0	0	112.2
101	M	40.8	Very low	44.7	Very low	157 Å²	157	143.5 Å²	143.5	77%	0.773	76%	0.762	S	S	*	*			trans	-153.4	102.9	145.2	-167.4	83.8	95.1	0	0	108.5	Q103	M101-Q103 HydrophobicContact CG-CG 4.11Å
102	I	44	Very low	45.4	Very low	150 Å²	150	143.2 Å²	143.2	77%	0.769	76%	0.762	S	S	*	*			trans	-76.3	117.3	162.5	-65.4	169.8	0	0	0	105.9
103	Q	50.1	Low	46.2	Very low	164 Å²	164	144.4 Å²	144.4	77%	0.766	76%	0.761	S	S	*	*			trans	-128.8	117.4	156.3	-73.7	-172.3	6	0	0	107.4	M101	M101-Q103 HydrophobicContact CG-CG 4.11Å
104	N	39.7	Very low	46.8	Very low	150 Å²	150	141.8 Å²	141.8	80%	0.802	75%	0.753	S	S	*	*			trans	-70.5	129.3	166.8	-57.2	-43.2	0	0	0	107.7
105	D	47.4	Very low	47.6	Very low	135 Å²	135	140.1 Å²	140.1	72%	0.722	74%	0.742	S	S	*	*			trans	-149.8	108.7	155.5	-155.6	-4	0	0	0	109.1	N107	D105-N107 VanDerWaalsContact C-N 3.29Å; D105-N107 PolarHBondContact O-N 3.41Å
106	D	49	Very low	48.3	Very low	161 Å²	161	143.4 Å²	143.4	86%	0.861	75%	0.745	S	S	*	*			trans	-68.8	85.5	173.1	-73.9	-46.2	0	0	0	109
107	N	48.4	Very low	49.3	Very low	115 Å²	115	143 Å²	143	62%	0.615	74%	0.744	S	S	*	*			trans	-143.1	85.4	168.2	-91.5	-56.8	0	0	0	109.7	D105 V109	D105-N107 VanDerWaalsContact C-N 3.29Å; D105-N107 PolarHBondContact O-N 3.41Å; N107-V109 HydrophobicContact CB-CG2 4.41Å; N107-V109 PolarHBondContact O-N 3.44Å
108	I	49.6	Very low	50.6	Low	163 Å²	163	144.7 Å²	144.7	84%	0.836	73%	0.734	S	S	*	*			trans	-70.4	74.5	164.8	-57	176.5	0	0	0	107.4	Y110	I108-Y110 PolarHBondContact O-N 2.97Å
109	V	49.5	Very low	52.1	Low	112 Å²	112	142.2 Å²	142.2	68%	0.679	73%	0.728	S	S	*	*			trans	-75.2	114.7	163.9	175.1	0	0	0	0	106.2	N107 S111	N107-V109 HydrophobicContact CB-CG2 4.41Å; N107-V109 PolarHBondContact O-N 3.44Å; V109-S111 PolarHBondContact O-N 3.22Å
110	Y	49	Very low	53.8	Low	213 Å²	213	139.3 Å²	139.3	84%	0.835	72%	0.717	S	S	*	*			trans	-56	84.9	164.6	-78.4	-95.5	0	0	0	109.1	I108 P112	I108-Y110 PolarHBondContact O-N 2.97Å; Y110-P112 VanDerWaalsContact O-CD 3.3Å; Y110-P112 WeakPolarHBondContact O-CD 3.22Å
111	S	50	Low	55.7	Low	83 Å²	83	140 Å²	140	58%	0.58	70%	0.703	S	S	*	*			trans	-69.2	116.9	169.2	-175.2	0	0	0	0	107.1	V109 K113	V109-S111 PolarHBondContact O-N 3.22Å; S111-K113 PolarHBondContact O-N 3.44Å
112	P	54.2	Low	58	Low	109 Å²	109	138.2 Å²	138.2	71%	0.708	70%	0.695	S	S	*	*			trans	-62.1	109.4	176.4	24.9	-29.9	0	0	0	106.8	Y110 N114	Y110-P112 VanDerWaalsContact O-CD 3.3Å; Y110-P112 WeakPolarHBondContact O-CD 3.22Å; P112-N114 PolarHBondContact O-N 3.18Å
113	K	54.7	Low	60.4	Low	164 Å²	164	135.6 Å²	135.6	71%	0.713	69%	0.688	S	S	*	*			trans	-40.4	115.3	179.7	-67.5	-178.4	178.8	-176.5	0	108.7	S111 Y115	S111-K113 PolarHBondContact O-N 3.44Å; K113-Y115 VanDerWaalsContact C-N 3.28Å; K113-Y115 HydrophobicContact CB-CE2 4.38Å; K113-Y115 WeakPolarHBondContact O-CD2 3.46Å; K113-Y115 WeakPolarHBondContact O-CE2 3.16Å; K113-Y115 PolarHBondContact O-N 2.91Å
114	N	52.9	Low	62.5	Low	118 Å²	118	130.3 Å²	130.3	63%	0.631	66%	0.662	S	S	*	*			trans	-60.4	88.3	-179.1	-82.7	-62.7	0	0	0	109.9	P112 K116	P112-N114 PolarHBondContact O-N 3.18Å; N114-K116 PolarHBondContact O-N 3.48Å
115	Y	61.1	Low	65.2	Low	167 Å²	167	126.1 Å²	126.1	66%	0.655	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	2.7	175.9	-69.4	-75.4	0	0	0	113.6	K113	K113-Y115 VanDerWaalsContact C-N 3.28Å; K113-Y115 HydrophobicContact CB-CE2 4.38Å; K113-Y115 WeakPolarHBondContact O-CD2 3.46Å; K113-Y115 WeakPolarHBondContact O-CE2 3.16Å; K113-Y115 PolarHBondContact O-N 2.91Å
116	K	61	Low	67.6	Low	193 Å²	193	129 Å²	129	84%	0.839	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-7.5	-175.6	-66.7	-178.5	178.4	-180	0	114.5	N114	N114-K116 PolarHBondContact O-N 3.48Å
117	N	61	Low	69.9	Low	134 Å²	134	127.1 Å²	127.1	72%	0.717	64%	0.635	S	S	*	*			trans	-100.3	16.4	-175.2	-65.6	-13.4	0	0	0	114.7	S119	N117-S119 PolarHBondContact O-N 3.35Å
118	R	68.7	Low	72.2	Confident	138 Å²	138	123.6 Å²	123.6	52%	0.521	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-71.8	119.4	177	-66.4	-175.2	-174.9	166.3	4.5	109.2	S80	S80-R118 PolarHBondContact OG-NE 3.36Å; S80-R118 VanDerWaalsContact OG-NE 3.16Å; S80-R118 PolarHBondContact OG-NH2 2.95Å
119	S	73.2	Confident	74.5	Confident	86 Å²	86	118.8 Å²	118.8	60%	0.601	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-49.1	139.7	176.2	-176.9	0	0	0	0	111	N117 R121	N117-S119 PolarHBondContact O-N 3.35Å; S119-R121 PolarHBondContact O-N 3.09Å
120	P	83	Confident	76.8	Confident	101 Å²	101	120 Å²	120	66%	0.656	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-53	140.4	178.2	21.2	-32.8	0	0	0	111.1	I122	P120-I122 PolarHBondContact O-N 3.29Å
121	R	82.1	Confident	79.1	Confident	128 Å²	128	110.6 Å²	110.6	48%	0.483	56%	0.555	S	S	.	*			trans	-72.4	111.7	176.7	-127.3	-177.6	-161.2	-171.6	1.2	108.3	E75 S119	E75-R121 PolarHBondContact O-NH1 3.34Å; E75-R121 PolarHBondContact O-NH2 3.1Å; S119-R121 PolarHBondContact O-N 3.09Å
122	I	89.7	Confident	81.4	Confident	119 Å²	119	106.7 Å²	106.7	61%	0.61	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-90.8	121.5	174.8	-56.4	171.7	0	0	0	108.1	P120	P120-I122 PolarHBondContact O-N 3.29Å
123	P	93.2	Very high	83.5	Confident	94 Å²	94	103.6 Å²	103.6	61%	0.61	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-70	153.9	174.2	30.6	-34.3	0	0	0	110.7
124	F	95.9	Very high	85.6	Confident	54 Å²	54	103.3 Å²	103.3	24%	0.237	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-72.7	139.7	171.5	-61.6	-58.6	0	0	0	110.3	Q128 I129 L132 L156 R160 W164	F124-Q128 HydrophobicContact CB-CB 4.14Å; F124-I129 HydrophobicContact CB-CD1 4.29Å; F124-I129 HydrophobicContact CB-CG1 3.72Å; F124-L132 HydrophobicContact CD2-CD1 4.48Å; F124-L132 HydrophobicContact CG-CD1 4.47Å; F124-L156 HydrophobicContact CD1-CD1 3.89Å; F124-L156 HydrophobicContact CD1-CD2 3.79Å; F124-L156 HydrophobicContact CE1-CD1 3.73Å; F124-L156 HydrophobicContact CE1-CD2 3.71Å; F124-L156 HydrophobicContact CE1-CG 4.36Å; F124-R160 HydrophobicContact CE1-CB 4.25Å; F124-R160 HydrophobicContact CZ-CB 4.29Å; F124-W164 AromaticContact CD2-CD1 3.85Å; F124-W164 HydrophobicContact CE2-CB 4.35Å; F124-W164 AromaticContact CE2-CD1 3.56Å; F124-W164 HydrophobicContact CE2-CG 4.3Å
125	S	96.1	Very high	87.7	Confident	61 Å²	61	100.2 Å²	100.2	43%	0.427	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-62.3	157.7	169.9	176.4	0	0	0	0	110.9	D127 Q128 I129	S125-D127 VanDerWaalsContact C-N 3.25Å; S125-D127 PolarHBondContact O-N 3.47Å; S125-Q128 WeakPolarHBondContact O-CB 3.41Å; S125-Q128 PolarHBondContact O-N 3.45Å; S125-Q128 VanDerWaalsContact O-N 3.08Å; S125-I129 WeakPolarHBondContact O-CG1 3.42Å; S125-I129 PolarHBondContact O-N 3.4Å
126	R	96.8	Very high	89.5	Confident	196 Å²	196	92.2 Å²	92.2	74%	0.74	45%	0.448	S	S	*	.	H	α-helix	trans	-54.8	-42.1	175.4	-177.9	177.5	-106.4	-173.3	-4.8	111.7	Q128 I129 F130	R126-Q128 VanDerWaalsContact C-N 3.33Å; R126-Q128 PolarHBondContact O-N 2.96Å; R126-I129 PolarHBondContact O-N 3.32Å; R126-F130 WeakPolarHBondContact O-CB 3.24Å; R126-F130 PolarHBondContact O-N 3.01Å
127	D	97	Very high	91.2	Very high	122 Å²	122	89.1 Å²	89.1	65%	0.652	44%	0.436	S	S	*	.	H	α-helix	trans	-66.9	-36.3	178.8	-60	-34.5	0	0	0	112	S125 F130 G131	S125-D127 VanDerWaalsContact C-N 3.25Å; S125-D127 PolarHBondContact O-N 3.47Å; D127-F130 PolarHBondContact O-N 3.22Å; D127-G131 PolarHBondContact O-N 3.11Å
128	Q	97.7	Very high	92.9	Very high	40 Å²	40	88.6 Å²	88.6	19%	0.187	43%	0.433	C	S	.	.	H	α-helix	trans	-65.5	-46.5	175.1	-68.6	175.8	-32.2	0	0	110.8	F124 S125 R126 F130 G131 L132 L154 L156	F124-Q128 HydrophobicContact CB-CB 4.14Å; S125-Q128 WeakPolarHBondContact O-CB 3.41Å; S125-Q128 PolarHBondContact O-N 3.45Å; S125-Q128 VanDerWaalsContact O-N 3.08Å; R126-Q128 VanDerWaalsContact C-N 3.33Å; R126-Q128 PolarHBondContact O-N 2.96Å; Q128-F130 VanDerWaalsContact C-N 3.34Å; Q128-F130 PolarHBondContact O-N 2.9Å; Q128-G131 PolarHBondContact O-N 3.36Å; Q128-L132 WeakPolarHBondContact O-CB 3.45Å; Q128-L132 WeakPolarHBondContact O-CD1 3.45Å; Q128-L132 WeakPolarHBondContact O-CG 3.34Å; Q128-L132 PolarHBondContact O-N 3.39Å; Q128-L154 PolarHBondContact NE2-O 2.99Å; Q128-L156 VanDerWaalsContact NE2-CD2 3.32Å
129	I	97.7	Very high	94.2	Very high	63 Å²	63	84 Å²	84	32%	0.323	42%	0.422	S	S	.	.	H	α-helix	trans	-60.7	-45.2	176.4	-64.4	168.6	0	0	0	110.4	F124 S125 R126 G131 L132 E133	F124-I129 HydrophobicContact CB-CD1 4.29Å; F124-I129 HydrophobicContact CB-CG1 3.72Å; S125-I129 WeakPolarHBondContact O-CG1 3.42Å; S125-I129 PolarHBondContact O-N 3.4Å; R126-I129 PolarHBondContact O-N 3.32Å; I129-G131 PolarHBondContact O-N 3.37Å; I129-L132 PolarHBondContact O-N 2.87Å; I129-E133 WeakPolarHBondContact O-CB 3.33Å; I129-E133 PolarHBondContact O-N 3.27Å
130	F	97.7	Very high	95.4	Very high	137 Å²	137	83 Å²	83	60%	0.601	41%	0.407	S	S	*	.	H	α-helix	trans	-60.6	-46	178.2	179	-100.7	0	0	0	111.9	R126 D127 Q128 E133 R134	R126-F130 WeakPolarHBondContact O-CB 3.24Å; R126-F130 PolarHBondContact O-N 3.01Å; D127-F130 PolarHBondContact O-N 3.22Å; Q128-F130 VanDerWaalsContact C-N 3.34Å; Q128-F130 PolarHBondContact O-N 2.9Å; F130-E133 PolarHBondContact O-N 2.85Å; F130-R134 VanDerWaalsContact O-CB 3.28Å; F130-R134 WeakPolarHBondContact O-CB 3.48Å; F130-R134 PolarHBondContact O-N 3.09Å
131	G	97.7	Very high	96.1	Very high	16 Å²	16	86 Å²	86	17%	0.165	41%	0.406	C	S	.	.	H	α-helix	trans	-62.8	-41.3	176.4	0	0	0	0	0	113.1	D127 Q128 I129 K135	D127-G131 PolarHBondContact O-N 3.11Å; Q128-G131 PolarHBondContact O-N 3.36Å; I129-G131 PolarHBondContact O-N 3.37Å; G131-K135 PolarHBondContact O-N 3.26Å; G131-K135 VanDerWaalsContact O-N 3.08Å
132	L	98.5	Very high	96.7	Very high	0 Å²	0	81.5 Å²	81.5	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-62.4	-49.2	175.7	-73.1	163	0	0	0	111.4	F124 Q128 I129 K135 F136 L150 L154 L156 V161 W164 F165	F124-L132 HydrophobicContact CD2-CD1 4.48Å; F124-L132 HydrophobicContact CG-CD1 4.47Å; Q128-L132 WeakPolarHBondContact O-CB 3.45Å; Q128-L132 WeakPolarHBondContact O-CD1 3.45Å; Q128-L132 WeakPolarHBondContact O-CG 3.34Å; Q128-L132 PolarHBondContact O-N 3.39Å; I129-L132 PolarHBondContact O-N 2.87Å; L132-K135 PolarHBondContact O-N 3.16Å; L132-F136 WeakPolarHBondContact O-CB 3.33Å; L132-F136 PolarHBondContact O-N 2.67Å; L132-L150 HydrophobicContact CD2-CD2 4.07Å; L132-L154 HydrophobicContact CD2-CD1 3.97Å; L132-L154 HydrophobicContact CG-CD1 3.7Å; L132-L156 HydrophobicContact CD1-CD1 4.17Å; L132-V161 HydrophobicContact CD2-CG1 4.38Å; L132-V161 HydrophobicContact CD2-CG2 4.47Å; L132-W164 HydrophobicContact CB-CD2 3.81Å; L132-W164 HydrophobicContact CB-CE3 3.86Å; L132-W164 HydrophobicContact CB-CH2 3.71Å; L132-W164 HydrophobicContact CB-CZ2 3.61Å; L132-W164 HydrophobicContact CB-CZ3 3.82Å; L132-W164 HydrophobicContact CD1-CB 4.47Å; L132-W164 HydrophobicContact CD1-CD2 3.86Å; L132-W164 HydrophobicContact CD1-CG 3.77Å; L132-W164 HydrophobicContact CD2-CB 4.49Å; L132-W164 HydrophobicContact CD2-CD2 3.98Å; L132-W164 HydrophobicContact CD2-CE3 3.91Å; L132-W164 HydrophobicContact CD2-CG 4.24Å; L132-W164 HydrophobicContact CG-CD2 4.09Å; L132-W164 HydrophobicContact CG-CE3 4.32Å; L132-W164 HydrophobicContact CG-CG 4.43Å; L132-F165 HydrophobicContact CD2-CE2 4.18Å
133	E	98.3	Very high	97.1	Very high	45 Å²	45	78.5 Å²	78.5	21%	0.21	38%	0.382	C	S	.	.	H	α-helix	trans	-66.6	-42.7	-179.5	-168.2	63	-151.7	0	0	111.7	I129 F130 K135 F136 Q137 W164 R168	I129-E133 WeakPolarHBondContact O-CB 3.33Å; I129-E133 PolarHBondContact O-N 3.27Å; F130-E133 PolarHBondContact O-N 2.85Å; E133-K135 VanDerWaalsContact C-N 3.29Å; E133-K135 PolarHBondContact O-N 2.86Å; E133-F136 WeakPolarHBondContact O-CB 3.09Å; E133-F136 PolarHBondContact O-N 2.6Å; E133-F136 VanDerWaalsContact O-N 3.09Å; E133-Q137 WeakPolarHBondContact O-CG 3.46Å; E133-Q137 PolarHBondContact O-N 3.43Å; E133-W164 HydrophobicContact CB-CH2 4.49Å; E133-W164 WeakPolarHBondContact OE2-CH2 3.42Å; E133-R168 IonicContact OE1-CZ 2.67Å; E133-R168 IonicContact OE1-NE 3.69Å; E133-R168 PolarHBondContact OE1-NE 3.46Å; E133-R168 IonicContact OE1-NH2 3.4Å; E133-R168 PolarHBondContact OE1-NH2 2.94Å; E133-R168 WeakPolarHBondContact OE2-CD 3.42Å; E133-R168 IonicContact OE2-CZ 3.64Å; E133-R168 IonicContact OE2-NE 3.81Å; E133-R168 PolarHBondContact OE2-NE 3.33Å; E133-R168 IonicContact OE2-NH2 2.95Å
134	R	97.9	Very high	97.3	Very high	157 Å²	157	76.7 Å²	76.7	59%	0.592	38%	0.38	S	S	*	.	H	α-helix	trans	-57.1	-43.6	174.7	-175	-178.4	-177.8	-175.5	2	111.3	F130 N138	F130-R134 VanDerWaalsContact O-CB 3.28Å; F130-R134 WeakPolarHBondContact O-CB 3.48Å; F130-R134 PolarHBondContact O-N 3.09Å; R134-N138 PolarHBondContact O-N 3.4Å
135	K	97.8	Very high	97.4	Very high	53 Å²	53	82.7 Å²	82.7	23%	0.23	40%	0.401	C	S	.	.	H	α-helix	trans	-68.9	-37.6	176.7	-175.9	61.3	179.9	175.1	0	111.7	G131 L132 E133 Q137 N138 S139 L142 E146 L150 F165	G131-K135 PolarHBondContact O-N 3.26Å; G131-K135 VanDerWaalsContact O-N 3.08Å; L132-K135 PolarHBondContact O-N 3.16Å; E133-K135 VanDerWaalsContact C-N 3.29Å; E133-K135 PolarHBondContact O-N 2.86Å; K135-Q137 VanDerWaalsContact C-N 3.35Å; K135-N138 PolarHBondContact O-N 3.12Å; K135-S139 PolarHBondContact O-N 2.74Å; K135-L142 HydrophobicContact CD-CD2 4.23Å; K135-L142 HydrophobicContact CG-CD2 3.83Å; K135-E146 WeakPolarHBondContact CE-OE1 3.4Å; K135-E146 IonicContact NZ-OE1 2.82Å; K135-E146 PolarHBondContact NZ-OE1 3.5Å; K135-L150 HydrophobicContact CB-CD1 4.19Å; K135-L150 HydrophobicContact CB-CD2 4.2Å; K135-L150 HydrophobicContact CG-CD1 4.39Å; K135-L150 HydrophobicContact CG-CD2 3.99Å; K135-F165 HydrophobicContact CB-CZ 4.28Å; K135-F165 HydrophobicContact CG-CZ 4.03Å
136	F	98.2	Very high	97.4	Very high	0 Å²	0	81.6 Å²	81.6	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-64.3	-36.8	177.6	-172.5	-101.9	0	0	0	113.3	L132 E133 N138 S139 K140 W164 F165 R168 R169	L132-F136 WeakPolarHBondContact O-CB 3.33Å; L132-F136 PolarHBondContact O-N 2.67Å; E133-F136 WeakPolarHBondContact O-CB 3.09Å; E133-F136 PolarHBondContact O-N 2.6Å; E133-F136 VanDerWaalsContact O-N 3.09Å; F136-N138 VanDerWaalsContact C-N 3.29Å; F136-N138 PolarHBondContact O-N 2.95Å; F136-S139 WeakPolarHBondContact CA-O 3.49Å; F136-S139 CarbonylContact O-C 3.35Å; F136-K140 HydrophobicContact CD1-CD 3.95Å; F136-K140 HydrophobicContact CD2-CD 4.32Å; F136-K140 HydrophobicContact CE1-CD 3.41Å; F136-K140 VanDerWaalsContact CE1-CD 3.41Å; F136-K140 HydrophobicContact CE2-CB 4.26Å; F136-K140 HydrophobicContact CE2-CD 3.83Å; F136-K140 HydrophobicContact CG-CD 4.36Å; F136-K140 HydrophobicContact CZ-CB 4.43Å; F136-K140 HydrophobicContact CZ-CD 3.33Å; F136-K140 HydrophobicContact CZ-CG 4.46Å; F136-K140 WeakPolarHBondContact O-CD 3.43Å; F136-K140 WeakPolarHBondContact O-CE 3.25Å; F136-W164 HydrophobicContact CB-CH2 3.96Å; F136-W164 HydrophobicContact CB-CZ3 3.88Å; F136-W164 HydrophobicContact CD2-CZ3 4.17Å; F136-W164 HydrophobicContact CG-CH2 4.34Å; F136-W164 HydrophobicContact CG-CZ3 4.2Å; F136-F165 HydrophobicContact CB-CE1 4.21Å; F136-F165 HydrophobicContact CB-CZ 4.22Å; F136-F165 AromaticContact CD2-CD1 3.78Å; F136-F165 HydrophobicContact CD2-CD1 3.78Å; F136-F165 AromaticContact CD2-CE1 3.68Å; F136-F165 HydrophobicContact CD2-CE1 3.68Å; F136-F165 HydrophobicContact CD2-CZ 4.4Å; F136-F165 HydrophobicContact CE2-CD1 4.36Å; F136-F165 HydrophobicContact CG-CE1 4.45Å; F136-R168 HydrophobicContact CD1-CG 3.58Å; F136-R168 HydrophobicContact CD2-CB 4.24Å; F136-R168 HydrophobicContact CD2-CG 3.63Å; F136-R168 HydrophobicContact CE1-CG 3.5Å; F136-R168 VanDerWaalsContact CE1-CZ 3.4Å; F136-R168 HydrophobicContact CE2-CB 4.05Å; F136-R168 HydrophobicContact CE2-CG 3.56Å; F136-R168 HydrophobicContact CG-CG 3.66Å; F136-R168 HydrophobicContact CZ-CB 4.31Å; F136-R168 HydrophobicContact CZ-CG 3.5Å; F136-R169 HydrophobicContact CE2-CG 3.79Å; F136-R169 HydrophobicContact CZ-CG 4.07Å
137	Q	97	Very high	97.5	Very high	128 Å²	128	72.7 Å²	72.7	60%	0.598	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-38.5	173.9	-72.1	173.1	-3.5	0	0	111.4	E133 K135	E133-Q137 WeakPolarHBondContact O-CG 3.46Å; E133-Q137 PolarHBondContact O-N 3.43Å; K135-Q137 VanDerWaalsContact C-N 3.35Å
138	N	96.7	Very high	97.6	Very high	123 Å²	123	73 Å²	73	66%	0.658	35%	0.352	S	S	*	.	H	α-helix	trans	-74.5	-40	177.7	-65.8	-5.6	0	0	0	112.8	R134 K135 F136	R134-N138 PolarHBondContact O-N 3.4Å; K135-N138 PolarHBondContact O-N 3.12Å; F136-N138 VanDerWaalsContact C-N 3.29Å; F136-N138 PolarHBondContact O-N 2.95Å
139	S	96.6	Very high	97.6	Very high	40 Å²	40	74.2 Å²	74.2	28%	0.28	36%	0.358	S	S	.	.			trans	-150.1	127.1	175.6	-174.2	0	0	0	0	111.8	K135 F136 Y141 F165	K135-S139 PolarHBondContact O-N 2.74Å; F136-S139 WeakPolarHBondContact CA-O 3.49Å; F136-S139 CarbonylContact O-C 3.35Å; S139-Y141 VanDerWaalsContact C-N 3.27Å; S139-Y141 PolarHBondContact O-N 3.49Å; S139-Y141 PolarHBondContact OG-N 3.43Å; S139-Y141 PolarHBondContact OG-O 3.46Å; S139-F165 WeakPolarHBondContact O-CE1 3.45Å
140	K	97	Very high	97.6	Very high	66 Å²	66	72 Å²	72	29%	0.287	35%	0.346	S	S	.	.	S	Bend	trans	-74.6	-18.1	179.5	-52.8	-66.6	169.7	169.6	0	113.2	F136 R169 E172	F136-K140 HydrophobicContact CD1-CD 3.95Å; F136-K140 HydrophobicContact CD2-CD 4.32Å; F136-K140 HydrophobicContact CE1-CD 3.41Å; F136-K140 VanDerWaalsContact CE1-CD 3.41Å; F136-K140 HydrophobicContact CE2-CB 4.26Å; F136-K140 HydrophobicContact CE2-CD 3.83Å; F136-K140 HydrophobicContact CG-CD 4.36Å; F136-K140 HydrophobicContact CZ-CB 4.43Å; F136-K140 HydrophobicContact CZ-CD 3.33Å; F136-K140 HydrophobicContact CZ-CG 4.46Å; F136-K140 WeakPolarHBondContact O-CD 3.43Å; F136-K140 WeakPolarHBondContact O-CE 3.25Å; K140-R169 WeakPolarHBondContact O-CD 3.46Å; K140-R169 PolarHBondContact O-NH1 3.3Å; K140-E172 WeakPolarHBondContact CE-OE1 3.35Å; K140-E172 IonicContact NZ-OE1 3.94Å; K140-E172 PolarHBondContact NZ-OE1 2.95Å
141	Y	98	Very high	97.6	Very high	163 Å²	163	65.7 Å²	65.7	64%	0.639	32%	0.32	S	S	*	.	S	Bend	trans	-129.7	131	-179.5	-62.4	-87.9	0	0	0	109.3	S139 R169	S139-Y141 VanDerWaalsContact C-N 3.27Å; S139-Y141 PolarHBondContact O-N 3.49Å; S139-Y141 PolarHBondContact OG-N 3.43Å; S139-Y141 PolarHBondContact OG-O 3.46Å; Y141-R169 VanDerWaalsContact CE1-CD 3.42Å
142	L	96.4	Very high	97.6	Very high	34 Å²	34	72.7 Å²	72.7	18%	0.178	35%	0.346	C	S	.	.			trans	-103.6	136.6	179.4	-60.4	-176.1	0	0	0	110.4	K135 E146 V147 L150 V161 F165	K135-L142 HydrophobicContact CD-CD2 4.23Å; K135-L142 HydrophobicContact CG-CD2 3.83Å; L142-E146 HydrophobicContact CB-CB 4.17Å; L142-E146 HydrophobicContact CD2-CB 4.18Å; L142-V147 HydrophobicContact CB-CG2 3.61Å; L142-V147 HydrophobicContact CD1-CG2 4.04Å; L142-V147 HydrophobicContact CG-CG2 4.5Å; L142-L150 HydrophobicContact CD1-CD2 3.8Å; L142-V161 HydrophobicContact CD1-CG1 3.98Å; L142-F165 HydrophobicContact CD1-CD1 4.07Å; L142-F165 HydrophobicContact CD1-CD2 3.71Å; L142-F165 HydrophobicContact CD1-CE1 3.76Å; L142-F165 HydrophobicContact CD1-CE2 3.41Å; L142-F165 VanDerWaalsContact CD1-CE2 3.41Å; L142-F165 HydrophobicContact CD1-CG 4.06Å; L142-F165 HydrophobicContact CD1-CZ 3.44Å; L142-F165 VanDerWaalsContact CD1-CZ 3.44Å; L142-F165 HydrophobicContact CD2-CE1 3.74Å; L142-F165 HydrophobicContact CD2-CZ 3.84Å; L142-F165 HydrophobicContact CG-CD1 3.8Å; L142-F165 HydrophobicContact CG-CD2 4.36Å; L142-F165 HydrophobicContact CG-CE1 3.48Å; L142-F165 VanDerWaalsContact CG-CE1 3.48Å; L142-F165 HydrophobicContact CG-CE2 4.12Å; L142-F165 HydrophobicContact CG-CG 4.24Å; L142-F165 HydrophobicContact CG-CZ 3.68Å
143	S	96.9	Very high	97.6	Very high	57 Å²	57	78.2 Å²	78.2	40%	0.399	38%	0.375	S	S	.	.			trans	-69.2	161.6	163.8	64	0	0	0	0	111.3	W145 E146 V147	S143-W145 VanDerWaalsContact C-N 3.26Å; S143-W145 PolarHBondContact O-N 2.95Å; S143-E146 WeakPolarHBondContact CB-OE2 3.45Å; S143-E146 PolarHBondContact N-OE2 3.09Å; S143-E146 PolarHBondContact O-N 2.86Å; S143-E146 VanDerWaalsContact O-N 3.1Å; S143-E146 WeakPolarHBondContact OG-CG 3.46Å; S143-E146 PolarHBondContact OG-N 3.18Å; S143-E146 PolarHBondContact OG-OE2 2.9Å; S143-V147 WeakPolarHBondContact O-CG2 3.24Å; S143-V147 PolarHBondContact O-N 3.04Å
144	G	96.7	Very high	97.5	Very high	56 Å²	56	77.4 Å²	77.4	58%	0.577	37%	0.372	S	S	*	.	H	α-helix	trans	-56.5	-39.3	179.3	0	0	0	0	0	113.3	V147 K148	G144-V147 PolarHBondContact O-N 2.99Å; G144-K148 PolarHBondContact O-N 3.47Å
145	W	97.9	Very high	97.5	Very high	179 Å²	179	75 Å²	75	68%	0.678	38%	0.38	S	S	*	.	H	α-helix	trans	-64.7	-44.7	175.4	177.3	87.9	0	0	0	112	S143 V147 K148 Q149	S143-W145 VanDerWaalsContact C-N 3.26Å; S143-W145 PolarHBondContact O-N 2.95Å; W145-V147 VanDerWaalsContact C-N 3.34Å; W145-V147 PolarHBondContact O-N 3.47Å; W145-K148 PolarHBondContact O-N 2.88Å; W145-Q149 HydrophobicContact CD2-CG 3.92Å; W145-Q149 HydrophobicContact CE3-CG 4.29Å; W145-Q149 HydrophobicContact CH2-CG 4.02Å; W145-Q149 HydrophobicContact CZ2-CG 3.63Å; W145-Q149 HydrophobicContact CZ3-CG 4.34Å; W145-Q149 WeakPolarHBondContact O-CG 3.25Å; W145-Q149 PolarHBondContact O-N 3.46Å
146	E	97.9	Very high	97.4	Very high	39 Å²	39	74 Å²	74	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-64.2	-38	178.7	-70.4	171.9	112.6	0	0	112.5	K135 L142 S143 K148 Q149 L150	K135-E146 WeakPolarHBondContact CE-OE1 3.4Å; K135-E146 IonicContact NZ-OE1 2.82Å; K135-E146 PolarHBondContact NZ-OE1 3.5Å; L142-E146 HydrophobicContact CB-CB 4.17Å; L142-E146 HydrophobicContact CD2-CB 4.18Å; S143-E146 WeakPolarHBondContact CB-OE2 3.45Å; S143-E146 PolarHBondContact N-OE2 3.09Å; S143-E146 PolarHBondContact O-N 2.86Å; S143-E146 VanDerWaalsContact O-N 3.1Å; S143-E146 WeakPolarHBondContact OG-CG 3.46Å; S143-E146 PolarHBondContact OG-N 3.18Å; S143-E146 PolarHBondContact OG-OE2 2.9Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-Q149 PolarHBondContact O-N 3.31Å; E146-L150 VanDerWaalsContact O-CB 3.24Å; E146-L150 WeakPolarHBondContact O-CB 3.43Å; E146-L150 PolarHBondContact O-N 2.94Å
147	V	98	Very high	97.4	Very high	8 Å²	8	76.4 Å²	76.4	5%	0.048	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-48.2	174	174	0	0	0	0	110.2	L142 S143 G144 W145 L150 A151 E158 V161 K162	L142-V147 HydrophobicContact CB-CG2 3.61Å; L142-V147 HydrophobicContact CD1-CG2 4.04Å; L142-V147 HydrophobicContact CG-CG2 4.5Å; S143-V147 WeakPolarHBondContact O-CG2 3.24Å; S143-V147 PolarHBondContact O-N 3.04Å; G144-V147 PolarHBondContact O-N 2.99Å; W145-V147 VanDerWaalsContact C-N 3.34Å; W145-V147 PolarHBondContact O-N 3.47Å; V147-L150 PolarHBondContact O-N 2.88Å; V147-A151 WeakPolarHBondContact O-CB 3.49Å; V147-A151 PolarHBondContact O-N 3.3Å; V147-E158 HydrophobicContact CG1-CB 3.78Å; V147-E158 HydrophobicContact CG1-CG 4.12Å; V147-V161 HydrophobicContact CG1-CB 4.41Å; V147-V161 HydrophobicContact CG1-CG1 4.38Å; V147-K162 HydrophobicContact CG1-CG 3.98Å; V147-K162 HydrophobicContact CG2-CG 4.33Å
148	K	98.2	Very high	97.4	Very high	128 Å²	128	73.9 Å²	73.9	56%	0.557	38%	0.379	S	S	*	.	H	α-helix	trans	-62.1	-44	179.8	-175.3	171	-176.9	174.5	0	112.4	G144 W145 E146 K152 E158	G144-K148 PolarHBondContact O-N 3.47Å; W145-K148 PolarHBondContact O-N 2.88Å; E146-K148 VanDerWaalsContact C-N 3.34Å; K148-K152 PolarHBondContact O-N 2.99Å; K148-K152 VanDerWaalsContact O-N 3.09Å; K148-E158 WeakPolarHBondContact CG-OE1 3.45Å
149	Q	98.1	Very high	97.4	Very high	67 Å²	67	70 Å²	70	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-65.2	-45.5	177.6	-67	-54.4	-39.1	0	0	112	W145 E146 K152 N153	W145-Q149 HydrophobicContact CD2-CG 3.92Å; W145-Q149 HydrophobicContact CE3-CG 4.29Å; W145-Q149 HydrophobicContact CH2-CG 4.02Å; W145-Q149 HydrophobicContact CZ2-CG 3.63Å; W145-Q149 HydrophobicContact CZ3-CG 4.34Å; W145-Q149 WeakPolarHBondContact O-CG 3.25Å; W145-Q149 PolarHBondContact O-N 3.46Å; E146-Q149 PolarHBondContact O-N 3.31Å; Q149-K152 PolarHBondContact O-N 3.44Å; Q149-N153 WeakPolarHBondContact O-CB 3.38Å; Q149-N153 PolarHBondContact O-N 3.1Å; Q149-N153 PolarHBondContact O-OD1 3.44Å
150	L	97.9	Very high	97.3	Very high	15 Å²	15	71.9 Å²	71.9	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-41.1	-179.8	-175.7	65.1	0	0	0	111.8	L132 K135 L142 E146 V147 N153 L154 V161 F165	L132-L150 HydrophobicContact CD2-CD2 4.07Å; K135-L150 HydrophobicContact CB-CD1 4.19Å; K135-L150 HydrophobicContact CB-CD2 4.2Å; K135-L150 HydrophobicContact CG-CD1 4.39Å; K135-L150 HydrophobicContact CG-CD2 3.99Å; L142-L150 HydrophobicContact CD1-CD2 3.8Å; E146-L150 VanDerWaalsContact O-CB 3.24Å; E146-L150 WeakPolarHBondContact O-CB 3.43Å; E146-L150 PolarHBondContact O-N 2.94Å; V147-L150 PolarHBondContact O-N 2.88Å; L150-N153 PolarHBondContact O-N 2.69Å; L150-L154 HydrophobicContact CD1-CD1 3.66Å; L150-L154 HydrophobicContact CD1-CG 4.03Å; L150-L154 HydrophobicContact CG-CD1 3.99Å; L150-L154 WeakPolarHBondContact O-CB 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.43Å; L150-L154 PolarHBondContact O-N 3.02Å; L150-V161 HydrophobicContact CD2-CG1 3.57Å; L150-V161 HydrophobicContact CG-CG1 4.26Å; L150-F165 HydrophobicContact CD2-CE2 3.69Å; L150-F165 HydrophobicContact CD2-CZ 4.22Å
151	A	98.3	Very high	97.4	Very high	5 Å²	5	68.7 Å²	68.7	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-57.6	-48.1	174.7	0	0	0	0	0	111.4	V147 L154 S155 L156 E158 V161	V147-A151 WeakPolarHBondContact O-CB 3.49Å; V147-A151 PolarHBondContact O-N 3.3Å; A151-L154 PolarHBondContact O-N 3.48Å; A151-S155 PolarHBondContact O-N 3.35Å; A151-S155 VanDerWaalsContact O-N 3.1Å; A151-L156 CarbonylContact C-O 3.45Å; A151-L156 WeakPolarHBondContact CB-O 3.39Å; A151-L156 PolarHBondContact O-N 3.27Å; A151-L156 VanDerWaalsContact O-O 3.13Å; A151-E158 HydrophobicContact CB-CG 3.98Å; A151-V161 HydrophobicContact CB-CG2 4.06Å
152	K	98	Very high	97.3	Very high	163 Å²	163	66.3 Å²	66.3	71%	0.709	34%	0.34	S	S	*	.	H	α-helix	trans	-60.7	-45.5	175.7	-173.3	-178.9	178.8	-176.2	0	112.1	K148 Q149 L154 S155	K148-K152 PolarHBondContact O-N 2.99Å; K148-K152 VanDerWaalsContact O-N 3.09Å; Q149-K152 PolarHBondContact O-N 3.44Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 2.95Å; K152-S155 PolarHBondContact O-N 3.29Å
153	N	97.7	Very high	97.3	Very high	117 Å²	117	65.7 Å²	65.7	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-68.1	-32	-176.2	-69.1	-6.3	0	0	0	113.2	Q149 L150	Q149-N153 WeakPolarHBondContact O-CB 3.38Å; Q149-N153 PolarHBondContact O-N 3.1Å; Q149-N153 PolarHBondContact O-OD1 3.44Å; L150-N153 PolarHBondContact O-N 2.69Å
154	L	97.1	Very high	97.4	Very high	28 Å²	28	64.5 Å²	64.5	15%	0.147	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	4.1	-178.5	-59.6	-177.7	0	0	0	113.6	Q128 L132 L150 A151 K152 L156	Q128-L154 PolarHBondContact NE2-O 2.99Å; L132-L154 HydrophobicContact CD2-CD1 3.97Å; L132-L154 HydrophobicContact CG-CD1 3.7Å; L150-L154 HydrophobicContact CD1-CD1 3.66Å; L150-L154 HydrophobicContact CD1-CG 4.03Å; L150-L154 HydrophobicContact CG-CD1 3.99Å; L150-L154 WeakPolarHBondContact O-CB 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.43Å; L150-L154 PolarHBondContact O-N 3.02Å; A151-L154 PolarHBondContact O-N 3.48Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 2.95Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 HydrophobicContact CB-CD1 4.08Å; L154-L156 HydrophobicContact CB-CG 4.1Å; L154-L156 HydrophobicContact CD1-CD1 4.47Å; L154-L156 PolarHBondContact O-N 3.34Å
155	S	97.6	Very high	97.5	Very high	107 Å²	107	62 Å²	62	75%	0.748	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	46.1	-173.6	-58.2	0	0	0	0	112.4	A151 K152	A151-S155 PolarHBondContact O-N 3.35Å; A151-S155 VanDerWaalsContact O-N 3.1Å; K152-S155 PolarHBondContact O-N 3.29Å
156	L	96.2	Very high	97.4	Very high	30 Å²	30	59.1 Å²	59.1	16%	0.157	29%	0.291	C	S	.	.			trans	-117.9	159.5	177.4	-66.8	179.3	0	0	0	110.2	F124 Q128 L132 A151 L154 R160 V161	F124-L156 HydrophobicContact CD1-CD1 3.89Å; F124-L156 HydrophobicContact CD1-CD2 3.79Å; F124-L156 HydrophobicContact CE1-CD1 3.73Å; F124-L156 HydrophobicContact CE1-CD2 3.71Å; F124-L156 HydrophobicContact CE1-CG 4.36Å; Q128-L156 VanDerWaalsContact NE2-CD2 3.32Å; L132-L156 HydrophobicContact CD1-CD1 4.17Å; A151-L156 CarbonylContact C-O 3.45Å; A151-L156 WeakPolarHBondContact CB-O 3.39Å; A151-L156 PolarHBondContact O-N 3.27Å; A151-L156 VanDerWaalsContact O-O 3.13Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 HydrophobicContact CB-CD1 4.08Å; L154-L156 HydrophobicContact CB-CG 4.1Å; L154-L156 HydrophobicContact CD1-CD1 4.47Å; L154-L156 PolarHBondContact O-N 3.34Å; L156-R160 HydrophobicContact CB-CB 4.48Å; L156-V161 HydrophobicContact CB-CG2 4.1Å; L156-V161 HydrophobicContact CD1-CG2 4.36Å
157	T	96.8	Very high	97.4	Very high	51 Å²	51	59 Å²	59	31%	0.313	29%	0.291	S	S	.	.			trans	-75.5	149.1	169.1	68.5	0	0	0	0	110.5	T159 R160 V161	T157-T159 PolarHBondContact O-N 3.31Å; T157-T159 VanDerWaalsContact O-N 3.13Å; T157-R160 WeakPolarHBondContact O-CB 3.41Å; T157-R160 PolarHBondContact O-N 3.15Å; T157-R160 VanDerWaalsContact OG1-CG 3.24Å; T157-R160 WeakPolarHBondContact OG1-CG 3.4Å; T157-R160 PolarHBondContact OG1-N 3.06Å; T157-V161 PolarHBondContact O-N 3.06Å
158	E	97.7	Very high	97.4	Very high	75 Å²	75	60.9 Å²	60.9	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-52.5	-37.4	176.4	-68	-173.7	-161.1	0	0	111.6	V147 K148 A151 V161 K162	V147-E158 HydrophobicContact CG1-CB 3.78Å; V147-E158 HydrophobicContact CG1-CG 4.12Å; K148-E158 WeakPolarHBondContact CG-OE1 3.45Å; A151-E158 HydrophobicContact CB-CG 3.98Å; E158-V161 PolarHBondContact O-N 3.3Å; E158-K162 WeakPolarHBondContact O-CG 3.46Å; E158-K162 PolarHBondContact O-N 3.46Å
159	T	96	Very high	97.4	Very high	41 Å²	41	57.6 Å²	57.6	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-66	-42.2	178.5	-50.7	0	0	0	0	112.6	L82 T157 V161 K162 I163	L82-T159 HydrophobicContact CD1-CG2 4.31Å; L82-T159 HydrophobicContact CD2-CG2 3.23Å; L82-T159 HydrophobicContact CG-CG2 4.37Å; T157-T159 PolarHBondContact O-N 3.31Å; T157-T159 VanDerWaalsContact O-N 3.13Å; T159-V161 VanDerWaalsContact C-N 3.28Å; T159-V161 PolarHBondContact O-N 3.45Å; T159-K162 PolarHBondContact O-N 3.47Å; T159-I163 HydrophobicContact CG2-CD1 3.67Å; T159-I163 HydrophobicContact CG2-CG1 4.43Å; T159-I163 WeakPolarHBondContact O-CB 3.38Å; T159-I163 WeakPolarHBondContact O-CD1 3.45Å; T159-I163 VanDerWaalsContact O-CG1 3.27Å; T159-I163 WeakPolarHBondContact O-CG1 3.17Å; T159-I163 PolarHBondContact O-N 3.11Å
160	R	96.1	Very high	97.3	Very high	80 Å²	80	55.5 Å²	55.5	30%	0.302	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-40.6	174.9	-72.9	-74.6	-176.2	167.5	2.5	111.4	F124 L156 T157 W164	F124-R160 HydrophobicContact CE1-CB 4.25Å; F124-R160 HydrophobicContact CZ-CB 4.29Å; L156-R160 HydrophobicContact CB-CB 4.48Å; T157-R160 WeakPolarHBondContact O-CB 3.41Å; T157-R160 PolarHBondContact O-N 3.15Å; T157-R160 VanDerWaalsContact OG1-CG 3.24Å; T157-R160 WeakPolarHBondContact OG1-CG 3.4Å; T157-R160 PolarHBondContact OG1-N 3.06Å; R160-W164 WeakPolarHBondContact O-CB 3.37Å; R160-W164 PolarHBondContact O-N 2.9Å
161	V	97.6	Very high	97.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-48.7	175.2	176.5	0	0	0	0	111.1	L132 L142 V147 L150 A151 L156 T157 E158 T159 I163 W164 F165	L132-V161 HydrophobicContact CD2-CG1 4.38Å; L132-V161 HydrophobicContact CD2-CG2 4.47Å; L142-V161 HydrophobicContact CD1-CG1 3.98Å; V147-V161 HydrophobicContact CG1-CB 4.41Å; V147-V161 HydrophobicContact CG1-CG1 4.38Å; L150-V161 HydrophobicContact CD2-CG1 3.57Å; L150-V161 HydrophobicContact CG-CG1 4.26Å; A151-V161 HydrophobicContact CB-CG2 4.06Å; L156-V161 HydrophobicContact CB-CG2 4.1Å; L156-V161 HydrophobicContact CD1-CG2 4.36Å; T157-V161 PolarHBondContact O-N 3.06Å; E158-V161 PolarHBondContact O-N 3.3Å; T159-V161 VanDerWaalsContact C-N 3.28Å; T159-V161 PolarHBondContact O-N 3.45Å; V161-I163 VanDerWaalsContact C-N 3.33Å; V161-I163 PolarHBondContact O-N 3.46Å; V161-W164 PolarHBondContact O-N 2.82Å; V161-F165 HydrophobicContact CG1-CD2 3.99Å; V161-F165 HydrophobicContact CG1-CE2 4.17Å; V161-F165 WeakPolarHBondContact O-CD2 3.35Å; V161-F165 PolarHBondContact O-N 3.08Å
162	K	97.4	Very high	96.9	Very high	112 Å²	112	61.3 Å²	61.3	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-55.2	-47.9	178.2	-75.1	173.4	-177.2	174.5	0	112.1	V147 E158 T159 F165 Q166	V147-K162 HydrophobicContact CG1-CG 3.98Å; V147-K162 HydrophobicContact CG2-CG 4.33Å; E158-K162 WeakPolarHBondContact O-CG 3.46Å; E158-K162 PolarHBondContact O-N 3.46Å; T159-K162 PolarHBondContact O-N 3.47Å; K162-F165 PolarHBondContact O-N 3.25Å; K162-Q166 PolarHBondContact O-N 3.35Å
163	I	96.4	Very high	96.7	Very high	22 Å²	22	60.8 Å²	60.8	11%	0.113	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-45.1	178.8	-73.1	161.4	0	0	0	111.2	Y79 L82 T159 V161 F165 Q166 N167	Y79-I163 HydrophobicContact CD1-CD1 4.15Å; Y79-I163 HydrophobicContact CE1-CB 4.46Å; Y79-I163 HydrophobicContact CE1-CD1 3.76Å; Y79-I163 HydrophobicContact CE1-CG1 4.22Å; Y79-I163 HydrophobicContact CE1-CG2 3.47Å; Y79-I163 VanDerWaalsContact CE1-CG2 3.47Å; Y79-I163 WeakPolarHBondContact OH-CG2 3.5Å; L82-I163 HydrophobicContact CD1-CD1 3.19Å; L82-I163 HydrophobicContact CD2-CD1 4.26Å; L82-I163 HydrophobicContact CG-CD1 4.35Å; T159-I163 HydrophobicContact CG2-CD1 3.67Å; T159-I163 HydrophobicContact CG2-CG1 4.43Å; T159-I163 WeakPolarHBondContact O-CB 3.38Å; T159-I163 WeakPolarHBondContact O-CD1 3.45Å; T159-I163 VanDerWaalsContact O-CG1 3.27Å; T159-I163 WeakPolarHBondContact O-CG1 3.17Å; T159-I163 PolarHBondContact O-N 3.11Å; V161-I163 VanDerWaalsContact C-N 3.33Å; V161-I163 PolarHBondContact O-N 3.46Å; I163-F165 VanDerWaalsContact C-N 3.31Å; I163-F165 PolarHBondContact O-N 3.2Å; I163-Q166 WeakPolarHBondContact O-CB 3.36Å; I163-Q166 PolarHBondContact O-N 2.89Å; I163-N167 PolarHBondContact O-N 2.87Å; I163-N167 PolarHBondContact O-ND2 2.93Å; I163-N167 PolarHBondContact O-OD1 3.08Å
164	W	98.2	Very high	96.3	Very high	31 Å²	31	59.7 Å²	59.7	12%	0.117	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-44.9	177.9	-175	96.3	0	0	0	110.9	F124 L132 E133 F136 R160 V161 Q166 N167 R168	F124-W164 AromaticContact CD2-CD1 3.85Å; F124-W164 HydrophobicContact CE2-CB 4.35Å; F124-W164 AromaticContact CE2-CD1 3.56Å; F124-W164 HydrophobicContact CE2-CG 4.3Å; L132-W164 HydrophobicContact CB-CD2 3.81Å; L132-W164 HydrophobicContact CB-CE3 3.86Å; L132-W164 HydrophobicContact CB-CH2 3.71Å; L132-W164 HydrophobicContact CB-CZ2 3.61Å; L132-W164 HydrophobicContact CB-CZ3 3.82Å; L132-W164 HydrophobicContact CD1-CB 4.47Å; L132-W164 HydrophobicContact CD1-CD2 3.86Å; L132-W164 HydrophobicContact CD1-CG 3.77Å; L132-W164 HydrophobicContact CD2-CB 4.49Å; L132-W164 HydrophobicContact CD2-CD2 3.98Å; L132-W164 HydrophobicContact CD2-CE3 3.91Å; L132-W164 HydrophobicContact CD2-CG 4.24Å; L132-W164 HydrophobicContact CG-CD2 4.09Å; L132-W164 HydrophobicContact CG-CE3 4.32Å; L132-W164 HydrophobicContact CG-CG 4.43Å; E133-W164 HydrophobicContact CB-CH2 4.49Å; E133-W164 WeakPolarHBondContact OE2-CH2 3.42Å; F136-W164 HydrophobicContact CB-CH2 3.96Å; F136-W164 HydrophobicContact CB-CZ3 3.88Å; F136-W164 HydrophobicContact CD2-CZ3 4.17Å; F136-W164 HydrophobicContact CG-CH2 4.34Å; F136-W164 HydrophobicContact CG-CZ3 4.2Å; R160-W164 WeakPolarHBondContact O-CB 3.37Å; R160-W164 PolarHBondContact O-N 2.9Å; V161-W164 PolarHBondContact O-N 2.82Å; W164-Q166 VanDerWaalsContact C-N 3.34Å; W164-Q166 PolarHBondContact O-N 3.22Å; W164-N167 PolarHBondContact O-N 3.31Å; W164-R168 HydrophobicContact CD2-CB 4.47Å; W164-R168 HydrophobicContact CE3-CB 4.1Å; W164-R168 HydrophobicContact CH2-CB 3.99Å; W164-R168 HydrophobicContact CH2-CG 3.66Å; W164-R168 HydrophobicContact CZ2-CB 4.4Å; W164-R168 HydrophobicContact CZ2-CG 4.27Å; W164-R168 HydrophobicContact CZ3-CB 3.84Å; W164-R168 HydrophobicContact CZ3-CG 3.86Å; W164-R168 VanDerWaalsContact O-CB 3.25Å; W164-R168 WeakPolarHBondContact O-CB 3.28Å; W164-R168 PolarHBondContact O-N 2.89Å
165	F	98.3	Very high	95.7	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-38.2	176.8	-92.9	-101.4	0	0	0	112.7	L132 K135 F136 S139 L142 L150 V161 K162 I163 R169	L132-F165 HydrophobicContact CD2-CE2 4.18Å; K135-F165 HydrophobicContact CB-CZ 4.28Å; K135-F165 HydrophobicContact CG-CZ 4.03Å; F136-F165 HydrophobicContact CB-CE1 4.21Å; F136-F165 HydrophobicContact CB-CZ 4.22Å; F136-F165 AromaticContact CD2-CD1 3.78Å; F136-F165 HydrophobicContact CD2-CD1 3.78Å; F136-F165 AromaticContact CD2-CE1 3.68Å; F136-F165 HydrophobicContact CD2-CE1 3.68Å; F136-F165 HydrophobicContact CD2-CZ 4.4Å; F136-F165 HydrophobicContact CE2-CD1 4.36Å; F136-F165 HydrophobicContact CG-CE1 4.45Å; S139-F165 WeakPolarHBondContact O-CE1 3.45Å; L142-F165 HydrophobicContact CD1-CD1 4.07Å; L142-F165 HydrophobicContact CD1-CD2 3.71Å; L142-F165 HydrophobicContact CD1-CE1 3.76Å; L142-F165 HydrophobicContact CD1-CE2 3.41Å; L142-F165 VanDerWaalsContact CD1-CE2 3.41Å; L142-F165 HydrophobicContact CD1-CG 4.06Å; L142-F165 HydrophobicContact CD1-CZ 3.44Å; L142-F165 VanDerWaalsContact CD1-CZ 3.44Å; L142-F165 HydrophobicContact CD2-CE1 3.74Å; L142-F165 HydrophobicContact CD2-CZ 3.84Å; L142-F165 HydrophobicContact CG-CD1 3.8Å; L142-F165 HydrophobicContact CG-CD2 4.36Å; L142-F165 HydrophobicContact CG-CE1 3.48Å; L142-F165 VanDerWaalsContact CG-CE1 3.48Å; L142-F165 HydrophobicContact CG-CE2 4.12Å; L142-F165 HydrophobicContact CG-CG 4.24Å; L142-F165 HydrophobicContact CG-CZ 3.68Å; L150-F165 HydrophobicContact CD2-CE2 3.69Å; L150-F165 HydrophobicContact CD2-CZ 4.22Å; V161-F165 HydrophobicContact CG1-CD2 3.99Å; V161-F165 HydrophobicContact CG1-CE2 4.17Å; V161-F165 WeakPolarHBondContact O-CD2 3.35Å; V161-F165 PolarHBondContact O-N 3.08Å; K162-F165 PolarHBondContact O-N 3.25Å; I163-F165 VanDerWaalsContact C-N 3.31Å; I163-F165 PolarHBondContact O-N 3.2Å; F165-R169 WeakPolarHBondContact O-CG 3.27Å; F165-R169 PolarHBondContact O-N 3.48Å; F165-R169 VanDerWaalsContact O-N 3.09Å
166	Q	96.8	Very high	95	Very high	118 Å²	118	59.2 Å²	59.2	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-62.2	-48.8	174.7	-177	178.1	9.4	0	0	111.7	K162 I163 W164 R168 R169 A170	K162-Q166 PolarHBondContact O-N 3.35Å; I163-Q166 WeakPolarHBondContact O-CB 3.36Å; I163-Q166 PolarHBondContact O-N 2.89Å; W164-Q166 VanDerWaalsContact C-N 3.34Å; W164-Q166 PolarHBondContact O-N 3.22Å; Q166-R168 VanDerWaalsContact C-N 3.34Å; Q166-R168 PolarHBondContact O-N 3.42Å; Q166-R169 PolarHBondContact O-N 3.49Å; Q166-A170 PolarHBondContact O-N 3.36Å
167	N	97.6	Very high	94.3	Very high	36 Å²	36	62.7 Å²	62.7	19%	0.193	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-40.4	-179.9	-61.9	-13.1	0	0	0	111.1	L77 Y79 I163 W164 R169 A170 R171	L77-N167 WeakPolarHBondContact CD1-ND2 3.42Å; L77-N167 WeakPolarHBondContact CD1-OD1 3.44Å; Y79-N167 PolarHBondContact OH-ND2 3.43Å; I163-N167 PolarHBondContact O-N 2.87Å; I163-N167 PolarHBondContact O-ND2 2.93Å; I163-N167 PolarHBondContact O-OD1 3.08Å; W164-N167 PolarHBondContact O-N 3.31Å; N167-R169 PolarHBondContact O-N 2.89Å; N167-A170 WeakPolarHBondContact O-CB 3.48Å; N167-A170 PolarHBondContact O-N 2.93Å; N167-A170 VanDerWaalsContact O-N 3.12Å; N167-R171 PolarHBondContact O-N 3.35Å
168	R	98	Very high	93.2	Very high	49 Å²	49	65.1 Å²	65.1	19%	0.185	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-41.5	178.6	-177.4	63.2	-173.8	85.2	-0.8	112.2	E133 F136 W164 Q166 R171 E172	E133-R168 IonicContact OE1-CZ 2.67Å; E133-R168 IonicContact OE1-NE 3.69Å; E133-R168 PolarHBondContact OE1-NE 3.46Å; E133-R168 IonicContact OE1-NH2 3.4Å; E133-R168 PolarHBondContact OE1-NH2 2.94Å; E133-R168 WeakPolarHBondContact OE2-CD 3.42Å; E133-R168 IonicContact OE2-CZ 3.64Å; E133-R168 IonicContact OE2-NE 3.81Å; E133-R168 PolarHBondContact OE2-NE 3.33Å; E133-R168 IonicContact OE2-NH2 2.95Å; F136-R168 HydrophobicContact CD1-CG 3.58Å; F136-R168 HydrophobicContact CD2-CB 4.24Å; F136-R168 HydrophobicContact CD2-CG 3.63Å; F136-R168 HydrophobicContact CE1-CG 3.5Å; F136-R168 VanDerWaalsContact CE1-CZ 3.4Å; F136-R168 HydrophobicContact CE2-CB 4.05Å; F136-R168 HydrophobicContact CE2-CG 3.56Å; F136-R168 HydrophobicContact CG-CG 3.66Å; F136-R168 HydrophobicContact CZ-CB 4.31Å; F136-R168 HydrophobicContact CZ-CG 3.5Å; W164-R168 HydrophobicContact CD2-CB 4.47Å; W164-R168 HydrophobicContact CE3-CB 4.1Å; W164-R168 HydrophobicContact CH2-CB 3.99Å; W164-R168 HydrophobicContact CH2-CG 3.66Å; W164-R168 HydrophobicContact CZ2-CB 4.4Å; W164-R168 HydrophobicContact CZ2-CG 4.27Å; W164-R168 HydrophobicContact CZ3-CB 3.84Å; W164-R168 HydrophobicContact CZ3-CG 3.86Å; W164-R168 VanDerWaalsContact O-CB 3.25Å; W164-R168 WeakPolarHBondContact O-CB 3.28Å; W164-R168 PolarHBondContact O-N 2.89Å; Q166-R168 VanDerWaalsContact C-N 3.34Å; Q166-R168 PolarHBondContact O-N 3.42Å; R168-R171 PolarHBondContact O-N 3.4Å; R168-E172 PolarHBondContact O-N 3.48Å
169	R	97.5	Very high	91.9	Very high	58 Å²	58	68.1 Å²	68.1	22%	0.219	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-36.9	171.4	-71.9	-167.6	-61	-85.5	-2	112.6	F136 K140 Y141 F165 Q166 N167 E172 R173	F136-R169 HydrophobicContact CE2-CG 3.79Å; F136-R169 HydrophobicContact CZ-CG 4.07Å; K140-R169 WeakPolarHBondContact O-CD 3.46Å; K140-R169 PolarHBondContact O-NH1 3.3Å; Y141-R169 VanDerWaalsContact CE1-CD 3.42Å; F165-R169 WeakPolarHBondContact O-CG 3.27Å; F165-R169 PolarHBondContact O-N 3.48Å; F165-R169 VanDerWaalsContact O-N 3.09Å; Q166-R169 PolarHBondContact O-N 3.49Å; N167-R169 PolarHBondContact O-N 2.89Å; R169-E172 PolarHBondContact O-N 3.08Å; R169-R173 WeakPolarHBondContact O-CG 3.25Å; R169-R173 PolarHBondContact O-N 3.48Å
170	A	95.8	Very high	90.5	Very high	24 Å²	24	71.3 Å²	71.3	20%	0.198	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-39.6	175.5	0	0	0	0	0	112	Q166 N167 R174	Q166-A170 PolarHBondContact O-N 3.36Å; N167-A170 WeakPolarHBondContact O-CB 3.48Å; N167-A170 PolarHBondContact O-N 2.93Å; N167-A170 VanDerWaalsContact O-N 3.12Å; A170-R174 WeakPolarHBondContact O-CG 3.25Å; A170-R174 PolarHBondContact O-N 2.85Å; A170-R174 PolarHBondContact O-NE 2.82Å
171	R	94.1	Very high	89.3	Confident	75 Å²	75	70.1 Å²	70.1	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-49.7	171.6	-162	-173.7	-162	-78.8	6.9	111.5	E70 N167 R168 R173 R174 D175	E70-R171 PolarHBondContact O-NH2 2.93Å; E70-R171 VanDerWaalsContact O-NH2 3.12Å; N167-R171 PolarHBondContact O-N 3.35Å; R168-R171 PolarHBondContact O-N 3.4Å; R171-R173 VanDerWaalsContact C-N 3.27Å; R171-R173 PolarHBondContact O-N 3.48Å; R171-R174 WeakPolarHBondContact O-CA 3.3Å; R171-R174 WeakPolarHBondContact O-CB 3.48Å; R171-R174 PolarHBondContact O-N 2.75Å; R171-D175 IonicContact NH1-OD1 2.69Å; R171-D175 PolarHBondContact NH1-OD1 3.44Å; R171-D175 IonicContact NH1-OD2 3.18Å; R171-D175 PolarHBondContact NH1-OD2 3.46Å; R171-D175 PolarHBondContact O-N 3.5Å
172	E	94.7	Very high	87.7	Confident	67 Å²	67	74.8 Å²	74.8	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-55.8	-39.6	178.5	-171.2	170.6	-119	0	0	113.1	K140 R168 R169 S176	K140-E172 WeakPolarHBondContact CE-OE1 3.35Å; K140-E172 IonicContact NZ-OE1 3.94Å; K140-E172 PolarHBondContact NZ-OE1 2.95Å; R168-E172 PolarHBondContact O-N 3.48Å; R169-E172 PolarHBondContact O-N 3.08Å; E172-S176 PolarHBondContact O-N 3.16Å; E172-S176 VanDerWaalsContact O-N 3.09Å; E172-S176 PolarHBondContact O-OG 3.49Å
173	R	93	Very high	85.9	Confident	152 Å²	152	72.7 Å²	72.7	57%	0.574	35%	0.346	S	S	*	.	H	α-helix	trans	-68.3	-32.7	174.6	-73.4	-174.2	-64.9	107	-3.7	113.5	R169 R171 S176 I177	R169-R173 WeakPolarHBondContact O-CG 3.25Å; R169-R173 PolarHBondContact O-N 3.48Å; R171-R173 VanDerWaalsContact C-N 3.27Å; R171-R173 PolarHBondContact O-N 3.48Å; R173-S176 PolarHBondContact O-OG 3.32Å; R173-I177 VanDerWaalsContact O-CD1 3.29Å; R173-I177 WeakPolarHBondContact O-CD1 3.38Å; R173-I177 WeakPolarHBondContact O-CG1 3.36Å; R173-I177 PolarHBondContact O-N 3.31Å
174	R	88.5	Confident	84.1	Confident	94 Å²	94	74 Å²	74	36%	0.355	36%	0.36	S	S	.	.	H	α-helix	trans	-72.9	-45.8	175.2	-74.4	-179.8	-66.6	179.4	-5.6	110.7	E75 A170 R171 S176 I177 E178	E75-R174 IonicContact OE1-CZ 3.03Å; E75-R174 IonicContact OE1-NH1 2.63Å; E75-R174 PolarHBondContact OE1-NH1 3.36Å; E75-R174 IonicContact OE1-NH2 2.67Å; E75-R174 PolarHBondContact OE1-NH2 3.47Å; E75-R174 IonicContact OE2-NH2 3.41Å; E75-R174 PolarHBondContact OE2-NH2 3Å; A170-R174 WeakPolarHBondContact O-CG 3.25Å; A170-R174 PolarHBondContact O-N 2.85Å; A170-R174 PolarHBondContact O-NE 2.82Å; R171-R174 WeakPolarHBondContact O-CA 3.3Å; R171-R174 WeakPolarHBondContact O-CB 3.48Å; R171-R174 PolarHBondContact O-N 2.75Å; R174-S176 PolarHBondContact O-N 3.09Å; R174-I177 PolarHBondContact O-N 3.07Å; R174-E178 WeakPolarHBondContact O-CB 3.21Å; R174-E178 WeakPolarHBondContact O-CG 2.98Å; R174-E178 PolarHBondContact O-N 3.27Å
175	D	85.6	Confident	82.2	Confident	63 Å²	63	76.5 Å²	76.5	34%	0.337	38%	0.375	S	S	.	.	H	α-helix	trans	-57	-35.9	178.1	-60.7	-13.6	0	0	0	110.6	R171 F179	R171-D175 IonicContact NH1-OD1 2.69Å; R171-D175 PolarHBondContact NH1-OD1 3.44Å; R171-D175 IonicContact NH1-OD2 3.18Å; R171-D175 PolarHBondContact NH1-OD2 3.46Å; R171-D175 PolarHBondContact O-N 3.5Å; D175-F179 WeakPolarHBondContact O-CB 3.48Å; D175-F179 PolarHBondContact O-N 2.64Å; D175-F179 VanDerWaalsContact O-N 3.16Å
176	S	82.8	Confident	80.2	Confident	62 Å²	62	83.1 Å²	83.1	43%	0.434	40%	0.404	S	S	.	.	H	α-helix	trans	-74.8	-33.9	175.6	68.1	0	0	0	0	114.7	E172 R173 R174 N180	E172-S176 PolarHBondContact O-N 3.16Å; E172-S176 VanDerWaalsContact O-N 3.09Å; E172-S176 PolarHBondContact O-OG 3.49Å; R173-S176 PolarHBondContact O-OG 3.32Å; R174-S176 PolarHBondContact O-N 3.09Å; S176-N180 PolarHBondContact O-N 3.36Å
177	I	80.5	Confident	78.2	Confident	102 Å²	102	81.7 Å²	81.7	52%	0.523	40%	0.404	S	S	.	.	H	α-helix	trans	-73	-41.1	176	-66.8	164	0	0	0	110.8	R173 R174 F179 N180 S181	R173-I177 VanDerWaalsContact O-CD1 3.29Å; R173-I177 WeakPolarHBondContact O-CD1 3.38Å; R173-I177 WeakPolarHBondContact O-CG1 3.36Å; R173-I177 PolarHBondContact O-N 3.31Å; R174-I177 PolarHBondContact O-N 3.07Å; I177-F179 VanDerWaalsContact C-N 3.34Å; I177-N180 PolarHBondContact O-N 3.49Å; I177-S181 WeakPolarHBondContact O-CB 3.48Å; I177-S181 PolarHBondContact O-N 2.92Å; I177-S181 PolarHBondContact O-OG 2.85Å
178	E	73.9	Confident	75.9	Confident	102 Å²	102	85.5 Å²	85.5	48%	0.477	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-40.6	178	-73.4	177.2	-164.9	0	0	110.9	R174 N180 S181 H182	R174-E178 WeakPolarHBondContact O-CB 3.21Å; R174-E178 WeakPolarHBondContact O-CG 2.98Å; R174-E178 PolarHBondContact O-N 3.27Å; E178-N180 VanDerWaalsContact C-N 3.3Å; E178-N180 PolarHBondContact O-N 3.21Å; E178-S181 PolarHBondContact O-N 3.31Å; E178-H182 WeakPolarHBondContact O-CB 3.34Å; E178-H182 PolarHBondContact O-CD2 2.89Å; E178-H182 PolarHBondContact O-N 3.44Å
179	F	71.1	Confident	73.9	Confident	138 Å²	138	90.2 Å²	90.2	61%	0.605	45%	0.445	S	S	*	.	H	α-helix	trans	-57.8	-42.7	174	-170.8	-97	0	0	0	112.3	D175 I177 N183	D175-F179 WeakPolarHBondContact O-CB 3.48Å; D175-F179 PolarHBondContact O-N 2.64Å; D175-F179 VanDerWaalsContact O-N 3.16Å; I177-F179 VanDerWaalsContact C-N 3.34Å; F179-N183 VanDerWaalsContact CE1-ND2 3.35Å; F179-N183 WeakPolarHBondContact CE1-ND2 3.42Å; F179-N183 VanDerWaalsContact O-CG 3.3Å; F179-N183 PolarHBondContact O-N 3.16Å; F179-N183 PolarHBondContact O-ND2 2.9Å
180	N	66.6	Low	71.7	Confident	108 Å²	108	92.2 Å²	92.2	58%	0.578	46%	0.464	S	S	*	.	H	α-helix	trans	-71.3	-37.8	177.6	-70.7	-14	0	0	0	112.5	S176 I177 E178 N183 A184	S176-N180 PolarHBondContact O-N 3.36Å; I177-N180 PolarHBondContact O-N 3.49Å; E178-N180 VanDerWaalsContact C-N 3.3Å; E178-N180 PolarHBondContact O-N 3.21Å; N180-N183 PolarHBondContact O-N 3.44Å; N180-A184 PolarHBondContact O-N 3.21Å
181	S	69.8	Low	69.5	Low	56 Å²	56	97.2 Å²	97.2	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-69.6	-40.8	-179.6	-55.8	0	0	0	0	111.9	I177 E178 N183 A184 I185	I177-S181 WeakPolarHBondContact O-CB 3.48Å; I177-S181 PolarHBondContact O-N 2.92Å; I177-S181 PolarHBondContact O-OG 2.85Å; E178-S181 PolarHBondContact O-N 3.31Å; S181-N183 VanDerWaalsContact C-N 3.28Å; S181-N183 PolarHBondContact O-N 3.29Å; S181-A184 PolarHBondContact O-N 3.41Å; S181-I185 WeakPolarHBondContact O-CG1 3.28Å; S181-I185 PolarHBondContact O-N 3.36Å
182	H	65.2	Low	67.3	Low	97 Å²	97	99.7 Å²	99.7	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-65.7	-31.6	175.5	-77.5	-62.8	0	0	0	112.5	E178 K186	E178-H182 WeakPolarHBondContact O-CB 3.34Å; E178-H182 PolarHBondContact O-CD2 2.89Å; E178-H182 PolarHBondContact O-N 3.44Å; H182-K186 WeakPolarHBondContact O-CG 3.49Å; H182-K186 PolarHBondContact O-N 3.1Å
183	N	59	Low	65.1	Low	68 Å²	68	103.6 Å²	103.6	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-72.7	-39.7	173.6	-69.1	-27.6	0	0	0	111.8	F179 N180 S181 I185 K186 T187	F179-N183 VanDerWaalsContact CE1-ND2 3.35Å; F179-N183 WeakPolarHBondContact CE1-ND2 3.42Å; F179-N183 VanDerWaalsContact O-CG 3.3Å; F179-N183 PolarHBondContact O-N 3.16Å; F179-N183 PolarHBondContact O-ND2 2.9Å; N180-N183 PolarHBondContact O-N 3.44Å; S181-N183 VanDerWaalsContact C-N 3.28Å; S181-N183 PolarHBondContact O-N 3.29Å; N183-I185 VanDerWaalsContact C-N 3.34Å; N183-I185 PolarHBondContact O-N 2.84Å; N183-K186 PolarHBondContact O-N 2.95Å; N183-T187 PolarHBondContact O-N 3.32Å
184	A	58.2	Low	62.8	Low	49 Å²	49	107.4 Å²	107.4	41%	0.405	55%	0.545	S	S	.	.	H	α-helix	trans	-65.1	-34.2	175.7	0	0	0	0	0	113.2	N180 S181 T187 L188	N180-A184 PolarHBondContact O-N 3.21Å; S181-A184 PolarHBondContact O-N 3.41Å; A184-T187 PolarHBondContact O-OG1 3.39Å; A184-L188 WeakPolarHBondContact O-CG 3.26Å; A184-L188 PolarHBondContact O-N 3.33Å
185	I	58.7	Low	60.7	Low	84 Å²	84	111.8 Å²	111.8	43%	0.431	57%	0.567	S	S	.	*	H	α-helix	trans	-72.7	-32.7	177	-66.5	168	0	0	0	111.5	S181 N183 L188 K189	S181-I185 WeakPolarHBondContact O-CG1 3.28Å; S181-I185 PolarHBondContact O-N 3.36Å; N183-I185 VanDerWaalsContact C-N 3.34Å; N183-I185 PolarHBondContact O-N 2.84Å; I185-L188 PolarHBondContact O-N 2.93Å; I185-K189 HydrophobicContact CG2-CD 4.12Å; I185-K189 HydrophobicContact CG2-CG 4.46Å; I185-K189 WeakPolarHBondContact O-CG 3.33Å; I185-K189 PolarHBondContact O-N 2.79Å
186	K	55.7	Low	58.7	Low	143 Å²	143	117.8 Å²	117.8	62%	0.622	59%	0.59	S	S	*	*	H	α-helix	trans	-67.5	-35.9	177.7	-75.7	175	-176.8	177.4	0	112.2	H182 N183	H182-K186 WeakPolarHBondContact O-CG 3.49Å; H182-K186 PolarHBondContact O-N 3.1Å; N183-K186 PolarHBondContact O-N 2.95Å
187	T	54.8	Low	56.6	Low	88 Å²	88	124.3 Å²	124.3	54%	0.54	61%	0.614	S	S	.	*	H	α-helix	trans	-74.1	-26.4	178.7	52.1	0	0	0	0	113.3	N183 A184 T190	N183-T187 PolarHBondContact O-N 3.32Å; A184-T187 PolarHBondContact O-OG1 3.39Å; T187-T190 PolarHBondContact O-OG1 3.49Å
188	L	50.8	Low	54.4	Low	117 Å²	117	123.3 Å²	123.3	61%	0.613	62%	0.616	S	S	*	*	H	α-helix	trans	-86.6	-17.6	179.7	-67.1	170.1	0	0	0	114	A184 I185 N192	A184-L188 WeakPolarHBondContact O-CG 3.26Å; A184-L188 PolarHBondContact O-N 3.33Å; I185-L188 PolarHBondContact O-N 2.93Å; L188-N192 PolarHBondContact O-ND2 2.88Å
189	K	54.8	Low	52.6	Low	147 Å²	147	128.2 Å²	128.2	64%	0.639	63%	0.632	S	S	*	*	H	α-helix	trans	-81.1	-23.6	179.3	-76.1	-176.8	177.5	-174.1	0	113.3	I185 D191	I185-K189 HydrophobicContact CG2-CD 4.12Å; I185-K189 HydrophobicContact CG2-CG 4.46Å; I185-K189 WeakPolarHBondContact O-CG 3.33Å; I185-K189 PolarHBondContact O-N 2.79Å; K189-D191 VanDerWaalsContact C-N 3.34Å
190	T	52.7	Low	51.2	Low	101 Å²	101	130.3 Å²	130.3	62%	0.62	64%	0.643	S	S	*	*	S	Bend	trans	-75.9	-23	-179.1	51.5	0	0	0	0	113.5	T187	T187-T190 PolarHBondContact O-OG1 3.49Å
191	D	48	Very low	49.7	Very low	129 Å²	129	132.7 Å²	132.7	69%	0.69	65%	0.651	S	S	*	*	S	Bend	trans	-94.5	-8.6	-169.9	-62.8	-5.6	0	0	0	113.6	K189	K189-D191 VanDerWaalsContact C-N 3.34Å
192	N	48	Very low	48.3	Very low	127 Å²	127	135.5 Å²	135.5	68%	0.679	67%	0.668	S	S	*	*	S	Bend	trans	-98.4	-7.7	-176.1	-80.6	-58.5	0	0	0	115.3	L188 Y194	L188-N192 PolarHBondContact O-ND2 2.88Å; N192-Y194 VanDerWaalsContact C-N 3.27Å; N192-Y194 PolarHBondContact O-N 3.34Å
193	D	50.2	Low	47	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	2.5	-175.2	-78.5	-18.9	0	0	0	114.4
194	Y	44.5	Very low	45.9	Very low	232 Å²	232	142.9 Å²	142.9	91%	0.91	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	3.8	-177.8	-119.8	-92.3	0	0	0	116	N192	N192-Y194 VanDerWaalsContact C-N 3.27Å; N192-Y194 PolarHBondContact O-N 3.34Å
195	F	43.5	Very low	45.1	Very low	186 Å²	186	151.4 Å²	151.4	82%	0.816	73%	0.728	S	S	*	*	S	Bend	trans	-124.2	6.6	-166.8	-158.5	-101.8	0	0	0	119.5
196	K	43.2	Very low	44	Very low	189 Å²	189	154.5 Å²	154.5	82%	0.822	74%	0.744	S	S	*	*			trans	-138	83.7	169.3	-87.6	-158.5	174.3	-169.3	0	114.2
197	Q	39.3	Very low	43	Very low	199 Å²	199	154.4 Å²	154.4	93%	0.93	75%	0.747	S	S	*	*			trans	-120.1	87.7	157.1	-153.5	164.5	36.2	0	0	106.7
198	S	33.8	Very low	41.9	Very low	81 Å²	81	156.3 Å²	156.3	57%	0.566	75%	0.75	S	S	*	*			trans	175.8	153.1	163.6	40.8	0	0	0	0	109.8
199	Y	37.7	Very low	41.1	Very low	206 Å²	206	158.3 Å²	158.3	81%	0.808	76%	0.761	S	S	*	*			trans	92.6	79.8	176.5	-48.5	-69.4	0	0	0	116.7
200	H	41.7	Very low	40.2	Very low	181 Å²	181	155 Å²	155	84%	0.838	76%	0.757	S	S	*	*				38	116.8	121.4	-94.7	-74.8	0	0	0	120.2
201	E	33.4	Very low	39.6	Very low	158 Å²	158	158.4 Å²	158.4	74%	0.738	76%	0.76	S	S	*	*			trans	-60.7	137.4	145.6	-99.1	-97.8	149.8	0	0	111.5
202	P	41.2	Very low	38.9	Very low	116 Å²	116	157.7 Å²	157.7	75%	0.753	76%	0.756	S	S	*	*			trans	-135.9	116.1	147.6	22.3	-1.3	0	0	0	113.2
203	D	37.7	Very low	38.4	Very low	141 Å²	141	160.9 Å²	160.9	75%	0.754	77%	0.772	S	S	*	*			trans	-70.5	152	155.3	-84.8	-34.1	0	0	0	110.8
204	E	37.1	Very low	37.7	Very low	179 Å²	179	158.3 Å²	158.3	84%	0.836	77%	0.766	S	S	*	*			trans	66	106.2	179.4	-67.3	-173.3	149.6	0	0	116.5
205	Y	39.6	Very low	37.3	Very low	228 Å²	228	152.1 Å²	152.1	89%	0.894	76%	0.756	S	S	*	*				-172.7	138.9	118.3	-112	-90	0	0	0	110.9
206	I	37.3	Very low	36.8	Very low	148 Å²	148	151.8 Å²	151.8	76%	0.759	76%	0.761	S	S	*	*			trans	-72.2	157.3	-176.6	-73.1	161.1	0	0	0	111.5
207	M	33.1	Very low	36.6	Very low	141 Å²	141	146.2 Å²	146.2	70%	0.695	75%	0.75	S	S	*	*			trans	88.5	130.4	153.7	-82.6	-108.7	79.6	0	0	120.3
208	Q	32.1	Very low	36.4	Very low	128 Å²	128	143.3 Å²	143.3	60%	0.598	75%	0.746	S	S	*	*			trans	85.1	86.5	147	-66.4	166.6	14.2	0	0	118.6
209	N	33.5	Very low	36.6	Very low	159 Å²	159	146.1 Å²	146.1	85%	0.85	76%	0.755	S	S	*	*			trans	-148.9	62.6	132.2	-127.1	23.9	0	0	0	111.1
210	S	36	Very low	36.7	Very low	78 Å²	78	141.9 Å²	141.9	55%	0.545	75%	0.746	S	S	.	*			trans	-84.5	118	153.7	46.7	0	0	0	0	107.1
211	Y	40.7	Very low	36.6	Very low	173 Å²	173	141.4 Å²	141.4	68%	0.678	74%	0.744	S	S	*	*			trans	-158.9	103.6	140.5	-55.8	-64.7	0	0	0	109.9
212	N	33.3	Very low	36.8	Very low	113 Å²	113	138.1 Å²	138.1	60%	0.604	74%	0.739	S	S	*	*			trans	59.4	103.4	133.7	-62.9	-42.3	0	0	0	120.7
213	L	38.1	Very low	36.7	Very low	194 Å²	194	138.9 Å²	138.9	100%	1.016	74%	0.737	S	S	*	*	S	Bend	trans	-116.1	16.7	137.9	-104.2	107.1	0	0	0	113.1
214	S	34.4	Very low	37	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	73%	0.734	S	S	*	*			trans	-118.8	84	171.5	59.2	0	0	0	0	110.4
215	S	36.6	Very low	37	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	73%	0.725	S	S	*	*			trans	-148	86.9	155.2	-89.7	0	0	0	0	109.2	A217	S215-A217 PolarHBondContact O-N 2.92Å
216	I	34	Very low	36.8	Very low	180 Å²	180	135.4 Å²	135.4	92%	0.923	72%	0.717	S	S	*	*			trans	-64.1	102.8	146.9	-65.2	162.6	0	0	0	105.6
217	A	38.3	Very low	36.9	Very low	72 Å²	72	136.7 Å²	136.7	60%	0.595	72%	0.717	S	S	*	*			trans	-167.1	96.9	158.3	0	0	0	0	0	109.1	S215	S215-A217 PolarHBondContact O-N 2.92Å
218	T	34.4	Very low	37.1	Very low	138 Å²	138	136.8 Å²	136.8	85%	0.847	72%	0.716	S	S	*	*			trans	34.2	106	140	59.6	0	0	0	0	117.6
219	D	38.3	Very low	37.2	Very low	140 Å²	140	136.8 Å²	136.8	75%	0.749	72%	0.72	S	S	*	*			trans	-126.1	119.5	155.5	-103.3	-26.2	0	0	0	109.6
220	N	38.9	Very low	37.1	Very low	117 Å²	117	136.3 Å²	136.3	63%	0.626	72%	0.717	S	S	*	*			trans	76.4	104.4	137.4	-55.1	-37.7	0	0	0	120.3
221	Q	40.4	Very low	36.9	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.794	72%	0.724	S	S	*	*				72.7	106.7	124.3	-74.1	174	-20.8	0	0	118.5
222	S	37.7	Very low	36.6	Very low	90 Å²	90	136.7 Å²	136.7	63%	0.629	73%	0.732	S	S	*	*				34.3	111.1	126.2	59.6	0	0	0	0	117.5
223	D	38.6	Very low	36.5	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	73%	0.733	S	S	*	*				153.3	150.1	106.5	-81.3	-37.4	0	0	0	113.2
224	H	44.2	Very low	36.2	Very low	152 Å²	152	133.1 Å²	133.1	70%	0.704	72%	0.721	S	S	*	*			trans	72.5	106.3	162.8	-58.5	-56.3	0	0	0	117.8
225	Q	37.4	Very low	36	Very low	138 Å²	138	133.9 Å²	133.9	65%	0.645	73%	0.726	S	S	*	*				96.8	127.1	64.5	-98.3	-168.2	-12.2	0	0	113.6
226	Y	36.1	Very low	35.7	Very low	184 Å²	184	135.3 Å²	135.3	72%	0.722	73%	0.734	S	S	*	*			trans	68.3	110.6	159.5	-58.2	-67	0	0	0	118.5
227	K	38.4	Very low	35.8	Very low	176 Å²	176	134.8 Å²	134.8	77%	0.765	73%	0.732	S	S	*	*				64.6	125.5	78.6	-97.4	-174.7	177	-175.6	0	116
228	H	38.1	Very low	35.6	Very low	143 Å²	143	136.2 Å²	136.2	66%	0.662	74%	0.738	S	S	*	*			trans	99	114.2	149.8	-70.4	-61.7	0	0	0	121.5
229	N	33.5	Very low	35.8	Very low	127 Å²	127	134.5 Å²	134.5	68%	0.679	73%	0.731	S	S	*	*				68.8	124	125	-57.8	-2.8	0	0	0	122.4
230	N	32.7	Very low	35.5	Very low	150 Å²	150	136.2 Å²	136.2	80%	0.802	74%	0.739	S	S	*	*			trans	72.8	128.1	136.9	-78.8	-5.7	0	0	0	122
231	S	29.8	Very low	35.4	Very low	99 Å²	99	136.1 Å²	136.1	69%	0.692	75%	0.745	S	S	*	*			trans	62.8	113.9	148.7	-69.7	0	0	0	0	117.8
232	L	35.4	Very low	35	Very low	159 Å²	159	136 Å²	136	83%	0.832	74%	0.743	S	S	*	*				165.6	128.7	103.7	-96	121	0	0	0	110
233	S	30.7	Very low	34.9	Very low	92 Å²	92	138.5 Å²	138.5	64%	0.643	75%	0.754	S	S	*	*			trans	73.1	134	144.9	70.7	0	0	0	0	121.2
234	N	32.6	Very low	34.6	Very low	141 Å²	141	136.6 Å²	136.6	75%	0.754	76%	0.756	S	S	*	*			trans	90.1	102.8	145.4	-59.2	-17.6	0	0	0	119.8
235	S	29.2	Very low	34	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	76%	0.756	S	S	*	*				51	105.8	127.4	65.2	0	0	0	0	119.1
236	C	31.5	Very low	33.6	Very low	131 Å²	131	136.9 Å²	136.9	89%	0.885	76%	0.756	S	S	*	*			trans	-165.4	141.4	132.5	41.7	0	0	0	0	111.1
237	I	34.6	Very low	33.4	Very low	169 Å²	169	133.1 Å²	133.1	87%	0.867	76%	0.756	S	S	*	*			trans	-64.3	124.9	-176.4	-68.3	158.2	0	0	0	109.7	S239	I237-S239 PolarHBondContact O-N 2.91Å
238	S	35.7	Very low	33	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	76%	0.758	S	S	*	*			trans	-65.7	108.6	163	44.5	0	0	0	0	109
239	S	37.3	Very low	32.7	Very low	101 Å²	101	130.6 Å²	130.6	71%	0.706	76%	0.756	S	S	*	*				56.1	96.6	91.4	72.1	0	0	0	0	114.5	I237	I237-S239 PolarHBondContact O-N 2.91Å
240	L	33	Very low	32.7	Very low	176 Å²	176	131.4 Å²	131.4	92%	0.921	76%	0.755	S	S	*	*			trans	-148.2	136.1	135.6	-96.6	138.9	0	0	0	108.9
241	P	37.5	Very low	32.6	Very low	116 Å²	116	133 Å²	133	75%	0.753	76%	0.755	S	S	*	*			trans	-110.2	147	-158.1	33.5	-18	0	0	0	115.2
242	F	31.6	Very low	32.7	Very low	168 Å²	168	133.1 Å²	133.1	74%	0.737	76%	0.756	S	S	*	*			trans	42.9	114.8	132	-141.1	-97.8	0	0	0	121.2
243	T	35.7	Very low	32.4	Very low	141 Å²	141	132.7 Å²	132.7	87%	0.865	75%	0.754	S	S	*	*			trans	-136.1	116.6	141.9	55.9	0	0	0	0	111.2
244	A	31.6	Very low	32.4	Very low	92 Å²	92	136.6 Å²	136.6	76%	0.76	76%	0.76	S	S	*	*			trans	62.7	101.2	148.1	0	0	0	0	0	120
245	F	31.2	Very low	32.1	Very low	158 Å²	158	136.3 Å²	136.3	69%	0.693	76%	0.757	S	S	*	*			trans	-106.3	156.9	169.8	-120.1	-78.1	0	0	0	110.6
246	H	29.7	Very low	32.1	Very low	138 Å²	138	138.7 Å²	138.7	64%	0.639	75%	0.754	S	S	*	*			trans	80.9	111.8	150.1	-77	-63.9	0	0	0	122.5
247	S	31	Very low	31.8	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	75%	0.75	S	S	*	*				-170.8	97.8	123	58.2	0	0	0	0	107.3
248	N	29.8	Very low	31.6	Very low	151 Å²	151	139.3 Å²	139.3	81%	0.807	74%	0.743	S	S	*	*				-170.2	111.6	80.4	-90.1	-42.5	0	0	0	104.8
249	L	32.7	Very low	31.4	Very low	116 Å²	116	140.9 Å²	140.9	61%	0.607	74%	0.742	S	S	*	*				36	115.9	80.6	-85.7	86.8	0	0	0	110.9
250	E	32.9	Very low	30.9	Very low	143 Å²	143	140.7 Å²	140.7	67%	0.668	74%	0.74	S	S	*	*				-174.3	152.4	53.4	-127.5	169.9	-140.7	0	0	110.8
251	K	32	Very low	30.6	Very low	185 Å²	185	139.5 Å²	139.5	80%	0.804	74%	0.735	S	S	*	*			trans	79.6	116.5	163.7	-56.1	159.1	-169.9	173.7	0	115.3
252	S	31.5	Very low	30.4	Very low	101 Å²	101	142.2 Å²	142.2	71%	0.706	74%	0.741	S	S	*	*			cis	-167.2	129.7	6.3	45.3	0	0	0	0	108	F254	S252-F254 PolarHBondContact O-N 2.81Å
253	N	29.6	Very low	30.6	Very low	149 Å²	149	143.6 Å²	143.6	80%	0.797	75%	0.747	S	S	*	*			trans	-57.1	121.4	163.9	-65.7	-62.2	0	0	0	109.8
254	F	29.2	Very low	30.1	Very low	174 Å²	174	144.6 Å²	144.6	76%	0.763	74%	0.742	S	S	*	*			trans	-112.3	92	146.6	-103.9	-76.5	0	0	0	107.2	S252 F256	S252-F254 PolarHBondContact O-N 2.81Å; F254-F256 AromaticContact CD1-CD2 3.76Å; F254-F256 HydrophobicContact CD1-CD2 3.76Å; F254-F256 AromaticContact CD1-CE2 3.63Å; F254-F256 HydrophobicContact CD1-CE2 3.63Å; F254-F256 HydrophobicContact CE1-CD2 4.21Å; F254-F256 AromaticContact CE1-CE2 3.6Å; F254-F256 HydrophobicContact CE1-CE2 3.6Å
255	I	26.2	Very low	30	Very low	135 Å²	135	145.8 Å²	145.8	69%	0.692	74%	0.742	S	S	*	*			trans	-71.9	118.4	156.2	-68.6	172.4	0	0	0	105.7
256	F	29.2	Very low	29.8	Very low	160 Å²	160	144.8 Å²	144.8	70%	0.702	74%	0.743	S	S	*	*			trans	-131	95	148.1	-89	-66.1	0	0	0	108.3	F254 F258	F254-F256 AromaticContact CD1-CD2 3.76Å; F254-F256 HydrophobicContact CD1-CD2 3.76Å; F254-F256 AromaticContact CD1-CE2 3.63Å; F254-F256 HydrophobicContact CD1-CE2 3.63Å; F254-F256 HydrophobicContact CE1-CD2 4.21Å; F254-F256 AromaticContact CE1-CE2 3.6Å; F254-F256 HydrophobicContact CE1-CE2 3.6Å; F256-F258 HydrophobicContact CD1-CD2 4.48Å; F256-F258 PolarHBondContact O-N 2.91Å
257	N	25.6	Very low	29.9	Very low	152 Å²	152	146.1 Å²	146.1	81%	0.813	76%	0.755	S	S	*	*			trans	-66	112.7	138.4	-85.5	-26.7	0	0	0	106.3
258	F	30.9	Very low	29.8	Very low	162 Å²	162	151.9 Å²	151.9	71%	0.711	76%	0.76	S	S	*	*			trans	-138.2	95.6	156.7	-134.8	-96.2	0	0	0	109.4	F256	F256-F258 HydrophobicContact CD1-CD2 4.48Å; F256-F258 PolarHBondContact O-N 2.91Å
259	I	31.1	Very low	30.1	Very low	136 Å²	136	150.7 Å²	150.7	70%	0.697	76%	0.759	S	S	*	*			trans	59.9	117.4	130.9	-58.7	-175.6	0	0	0	117.7
260	S	26.9	Very low	30	Very low	96 Å²	96	152 Å²	152	67%	0.671	77%	0.766	S	S	*	*			trans	-50.6	158.2	160	-50.2	0	0	0	0	113.7
261	D	27.2	Very low	30.1	Very low	151 Å²	151	152.7 Å²	152.7	81%	0.807	77%	0.774	S	S	*	*			trans	80.8	105	166.4	-54.2	-29.6	0	0	0	116.7
262	I	32.8	Very low	30	Very low	174 Å²	174	152 Å²	152	89%	0.892	77%	0.774	S	S	*	*				-149.7	110.5	126.3	-88	141.1	0	0	0	106.9
263	K	34.9	Very low	30.2	Very low	197 Å²	197	155.5 Å²	155.5	86%	0.857	78%	0.784	S	S	*	*			trans	-62.5	137.8	159.3	-72.8	173.6	174	179.6	0	108.7
264	Q	26.6	Very low	30.3	Very low	161 Å²	161	155.9 Å²	155.9	75%	0.752	79%	0.785	S	S	*	*			trans	-6.3	153.9	150.4	-80.6	-162.8	39.7	0	0	118.3
265	P	29.9	Very low	30.5	Very low	117 Å²	117	154.5 Å²	154.5	76%	0.76	78%	0.784	S	S	*	*				-150.4	173.9	52.8	37.5	-14.8	0	0	0	118.4
266	L	26	Very low	30.8	Very low	138 Å²	138	153.6 Å²	153.6	72%	0.723	79%	0.787	S	S	*	*			trans	-38.2	139.2	168.5	-76.4	87.5	0	0	0	113.9
267	N	31.8	Very low	31.1	Very low	165 Å²	165	151.4 Å²	151.4	88%	0.882	79%	0.787	S	S	*	*				-152.7	137.2	126.1	-102.8	-28.3	0	0	0	112.2
268	R	28.3	Very low	31.4	Very low	227 Å²	227	150.7 Å²	150.7	86%	0.857	78%	0.782	S	S	*	*			trans	-55.2	141.1	174.4	-67.4	165	168.7	173.2	-5.1	111
269	T	36.6	Very low	31.5	Very low	126 Å²	126	149.2 Å²	149.2	77%	0.773	78%	0.781	S	S	*	*				-178	118.8	111.7	44.5	0	0	0	0	109.9
270	N	31.3	Very low	31.8	Very low	142 Å²	142	150.5 Å²	150.5	76%	0.759	78%	0.781	S	S	*	*			trans	21.8	115.6	143.6	-49.3	-18.3	0	0	0	117.4
271	N	33.8	Very low	32.1	Very low	158 Å²	158	152.4 Å²	152.4	85%	0.845	78%	0.784	S	S	*	*				-169.2	135.4	113.7	-84.4	-19	0	0	0	109.7
272	E	31.6	Very low	32.4	Very low	170 Å²	170	152.6 Å²	152.6	79%	0.794	79%	0.785	S	S	*	*			trans	-51.7	131.6	-178.3	-55.9	178.2	143.8	0	0	112.6
273	L	33.9	Very low	32.4	Very low	175 Å²	175	152.3 Å²	152.3	92%	0.916	78%	0.784	S	S	*	*			trans	-136	104.2	146.1	-77	-179.1	0	0	0	108.6
274	L	31.7	Very low	32.5	Very low	157 Å²	157	147.8 Å²	147.8	82%	0.822	78%	0.783	S	S	*	*			trans	-53.7	137.1	176.6	-77.3	154.8	0	0	0	112.4
275	I	33.6	Very low	32.8	Very low	145 Å²	145	147.8 Å²	147.8	74%	0.744	79%	0.788	S	S	*	*			trans	-73.4	126.2	165.5	-58.8	168.7	0	0	0	108.1	V277	I275-V277 HydrophobicContact CG2-CG2 4.32Å; I275-V277 PolarHBondContact O-N 3.38Å; I275-V277 VanDerWaalsContact O-N 3.15Å
276	P	33.9	Very low	33	Very low	117 Å²	117	150 Å²	150	76%	0.76	79%	0.792	S	S	*	*			trans	-77.7	99.8	169.1	-10.1	26.5	0	0	0	110
277	V	34.7	Very low	33.6	Very low	114 Å²	114	151.1 Å²	151.1	69%	0.691	80%	0.799	S	S	*	*			trans	-83.3	105.3	159.9	176.5	0	0	0	0	107.1	I275 I279	I275-V277 HydrophobicContact CG2-CG2 4.32Å; I275-V277 PolarHBondContact O-N 3.38Å; I275-V277 VanDerWaalsContact O-N 3.15Å; V277-I279 HydrophobicContact CG1-CG1 4.11Å; V277-I279 PolarHBondContact O-N 3.45Å
278	L	31.1	Very low	34.3	Very low	137 Å²	137	152.5 Å²	152.5	72%	0.717	80%	0.797	S	S	*	*			trans	-84.9	99.8	172.6	-131.1	101	0	0	0	109.2	K280	L278-K280 HydrophobicContact CD2-CD 4.46Å; L278-K280 HydrophobicContact CD2-CG 4.13Å
279	I	34.7	Very low	34.7	Very low	131 Å²	131	150.3 Å²	150.3	67%	0.672	80%	0.797	S	S	*	*			trans	-80.5	112.8	163.1	-59.6	175.2	0	0	0	106.6	V277	V277-I279 HydrophobicContact CG1-CG1 4.11Å; V277-I279 PolarHBondContact O-N 3.45Å
280	K	36.3	Very low	34.5	Very low	163 Å²	163	152.1 Å²	152.1	71%	0.709	80%	0.801	S	S	*	*			trans	-96.3	99.6	164.7	-77.7	-176.1	176.6	-178.4	0	108.9	L278 D282	L278-K280 HydrophobicContact CD2-CD 4.46Å; L278-K280 HydrophobicContact CD2-CG 4.13Å; K280-D282 PolarHBondContact O-N 3.47Å
281	N	34.3	Very low	34.9	Very low	136 Å²	136	153.9 Å²	153.9	73%	0.727	81%	0.805	S	S	*	*			trans	-79.7	102.4	158.2	-76.8	-16.1	0	0	0	107.6	L283	N281-L283 PolarHBondContact O-N 2.67Å
282	D	33.4	Very low	34.9	Very low	155 Å²	155	153.1 Å²	153.1	83%	0.829	80%	0.8	S	S	*	*			trans	-85.6	84.4	165.1	-78	-29.1	0	0	0	108.5	K280	K280-D282 PolarHBondContact O-N 3.47Å
283	L	32.4	Very low	35	Very low	168 Å²	168	152 Å²	152	88%	0.88	80%	0.799	S	S	*	*			trans	-128.9	81.5	165.1	-100.8	135.5	0	0	0	107.2	N281	N281-L283 PolarHBondContact O-N 2.67Å
284	A	35.9	Very low	35	Very low	101 Å²	101	148.7 Å²	148.7	84%	0.835	79%	0.786	S	S	*	*			trans	-163.5	82.8	167.6	0	0	0	0	0	110.1
285	N	32.9	Very low	35.3	Very low	161 Å²	161	148.7 Å²	148.7	86%	0.861	79%	0.787	S	S	*	*			trans	-159.3	62.1	153.4	-149.2	5.5	0	0	0	111.2
286	I	35.6	Very low	35.6	Very low	164 Å²	164	149.4 Å²	149.4	84%	0.841	79%	0.79	S	S	*	*			trans	-140.1	90.7	164.8	-55.2	177.7	0	0	0	106.3
287	D	37.3	Very low	35.9	Very low	161 Å²	161	148.9 Å²	148.9	86%	0.861	79%	0.787	S	S	*	*			trans	-161.3	82.9	155.4	-96.5	-23.7	0	0	0	108.2
288	K	47.2	Very low	35.9	Very low	195 Å²	195	150.1 Å²	150.1	85%	0.848	79%	0.79	S	S	*	*			trans	-137.7	98.9	153.7	-79.9	-166.9	179.3	-179.6	0	109.3
289	Q	36.8	Very low	36.3	Very low	181 Å²	181	151.6 Å²	151.6	85%	0.846	80%	0.797	S	S	*	*			trans	71.9	97	136	-57.5	-167.7	-26.9	0	0	118
290	N	32.6	Very low	36.7	Very low	163 Å²	163	151.1 Å²	151.1	87%	0.872	80%	0.8	S	S	*	*			trans	-17.5	120.7	137.3	-59.4	-32.7	0	0	0	114.3
291	E	38.2	Very low	37	Very low	180 Å²	180	147 Å²	147	84%	0.841	80%	0.796	S	S	*	*			trans	-169.3	135	139.1	-113.6	179.9	166.6	0	0	111.5
292	L	35.6	Very low	37.3	Very low	142 Å²	142	147.9 Å²	147.9	74%	0.743	80%	0.801	S	S	*	*			trans	68.6	99.2	167.5	-82.3	83.1	0	0	0	118.5
293	L	32.4	Very low	37.7	Very low	146 Å²	146	150 Å²	150	76%	0.764	80%	0.803	S	S	*	*				89	111.4	77.1	-112.2	80.2	0	0	0	113.4
294	T	34.8	Very low	38.1	Very low	105 Å²	105	147.3 Å²	147.3	64%	0.644	79%	0.793	S	S	*	*			trans	60.9	110.2	134.4	56.9	0	0	0	0	118.9
295	D	37.3	Very low	38.4	Very low	157 Å²	157	149.5 Å²	149.5	84%	0.84	79%	0.788	S	S	*	*				177.3	112.3	109.6	-82.6	-22.1	0	0	0	111.4
296	I	40.3	Very low	39.1	Very low	160 Å²	160	148.7 Å²	148.7	82%	0.821	78%	0.779	S	S	*	*			trans	-126	138.8	159.6	-55	170.6	0	0	0	106.2
297	P	39.2	Very low	39.4	Very low	107 Å²	107	148.3 Å²	148.3	70%	0.695	77%	0.773	S	S	*	*				-152.6	175.8	117.8	32	-11.8	0	0	0	111.6
298	D	34.8	Very low	39.5	Very low	139 Å²	139	146.2 Å²	146.2	74%	0.743	76%	0.762	S	S	*	*			cis	-173.7	135	-19.4	-102.7	-31.7	0	0	0	103.6
299	I	39.8	Very low	39.1	Very low	168 Å²	168	142.7 Å²	142.7	86%	0.862	75%	0.753	S	S	*	*			trans	-141.9	83.2	152.6	-52.8	-177.8	0	0	0	110.4
300	T	42.8	Very low	39.2	Very low	121 Å²	121	139.7 Å²	139.7	74%	0.742	74%	0.742	S	S	*	*				19.2	132.3	129.4	-4.1	0	0	0	0	122.9
301	A	43.3	Very low	39.6	Very low	76 Å²	76	137.6 Å²	137.6	63%	0.628	73%	0.731	S	S	*	*				89.2	109.9	129.4	0	0	0	0	0	122
302	N	40.5	Very low	39.5	Very low	156 Å²	156	134.9 Å²	134.9	83%	0.834	72%	0.723	S	S	*	*				163.4	91.6	117.3	-80.4	-28.4	0	0	0	108.6
303	K	43	Very low	39.5	Very low	198 Å²	198	135.2 Å²	135.2	86%	0.861	73%	0.725	S	S	*	*				50	108.3	77	-139.1	-176.5	-172.7	174.9	0	112.3
304	V	39.4	Very low	39.7	Very low	112 Å²	112	133 Å²	133	68%	0.679	72%	0.722	S	S	*	*				157.1	130.9	103.2	166	0	0	0	0	103.3
305	M	43.2	Very low	39.7	Very low	147 Å²	147	136 Å²	136	72%	0.724	73%	0.732	S	S	*	*				-170.6	123.7	53.6	-131.2	146.4	109.7	0	0	107.8
306	Q	46.7	Very low	39.7	Very low	145 Å²	145	131.6 Å²	131.6	68%	0.678	72%	0.724	S	S	*	*				80.1	106.9	106.3	-68.1	-171.1	36	0	0	115.9
307	H	42	Very low	39.4	Very low	155 Å²	155	131.1 Å²	131.1	72%	0.718	72%	0.723	S	S	*	*				82.7	138	108	-80.3	-56.8	0	0	0	112.9
308	N	38.6	Very low	39.3	Very low	117 Å²	117	132.2 Å²	132.2	63%	0.626	72%	0.723	S	S	*	*			cis	-167.3	140.8	15.6	-138.6	1.8	0	0	0	109.1
309	N	39	Very low	39.7	Very low	121 Å²	121	133.3 Å²	133.3	65%	0.647	73%	0.729	S	S	*	*				55.6	119.2	129.7	-81.2	1.3	0	0	0	122.9
310	N	40.6	Very low	39.7	Very low	118 Å²	118	131.6 Å²	131.6	63%	0.631	72%	0.722	S	S	*	*				120	110.7	112.7	-79.5	-4.7	0	0	0	117.3
311	N	39.2	Very low	39.7	Very low	119 Å²	119	133.5 Å²	133.5	64%	0.636	73%	0.727	S	S	*	*				85.5	110.4	120.7	-68.3	-9	0	0	0	119.6
312	N	37.5	Very low	39.6	Very low	124 Å²	124	139.8 Å²	139.8	66%	0.663	74%	0.736	S	S	*	*				82.8	113.3	119.5	-61.2	-13.7	0	0	0	118.9
313	N	34.8	Very low	39.6	Very low	149 Å²	149	142 Å²	142	80%	0.797	74%	0.739	S	S	*	*				78.6	128	125.9	-68.4	-13.6	0	0	0	119.9
314	S	36.3	Very low	39.7	Very low	100 Å²	100	139.8 Å²	139.8	70%	0.699	74%	0.735	S	S	*	*			trans	96.6	106	133.9	-138.1	0	0	0	0	117.6
315	I	35.7	Very low	39.6	Very low	166 Å²	166	142.1 Å²	142.1	85%	0.851	74%	0.74	S	S	*	*				50	122.8	118.3	-63.6	165.6	0	0	0	117
316	G	36.5	Very low	40	Very low	65 Å²	65	140.8 Å²	140.8	67%	0.67	74%	0.743	S	S	*	*			trans	149.2	88	147.4	0	0	0	0	0	116.2
317	N	35.3	Very low	39.7	Very low	150 Å²	150	139.4 Å²	139.4	80%	0.802	74%	0.744	S	S	*	*			trans	21	144.7	139.9	-64.3	-19.1	0	0	0	122.9
318	N	37.1	Very low	40.1	Very low	131 Å²	131	138.5 Å²	138.5	70%	0.701	75%	0.749	S	S	*	*			trans	79.1	114.5	153.1	-67.3	-11.7	0	0	0	116.9
319	D	42.2	Very low	40.3	Very low	161 Å²	161	140.8 Å²	140.8	86%	0.861	76%	0.756	S	S	*	*				-159.5	125.8	110.1	-86.9	-26.7	0	0	0	111.9
320	N	39.5	Very low	40.4	Very low	133 Å²	133	143 Å²	143	71%	0.711	77%	0.768	S	S	*	*			trans	-71.6	125.9	173.7	-65.6	-54.6	0	0	0	109.6
321	N	42.9	Very low	40.5	Very low	160 Å²	160	142 Å²	142	86%	0.856	77%	0.77	S	S	*	*			trans	-123.1	93.2	161.4	-90.8	-22.6	0	0	0	109.6
322	Y	40.7	Very low	41	Very low	208 Å²	208	143.7 Å²	143.7	82%	0.816	78%	0.779	S	S	*	*			trans	-74.1	126.3	161.4	-94.3	-91.6	0	0	0	109
323	F	42	Very low	41.5	Very low	203 Å²	203	144 Å²	144	89%	0.89	79%	0.785	S	S	*	*			trans	-111.2	118.6	162.6	-119	-89.2	0	0	0	108.7
324	I	43.7	Very low	42.2	Very low	152 Å²	152	146.7 Å²	146.7	78%	0.779	79%	0.79	S	S	*	*			trans	-86	138.3	-178.5	-66.5	-177.2	0	0	0	110
325	M	39	Very low	42.4	Very low	160 Å²	160	147 Å²	147	79%	0.788	79%	0.793	S	S	*	*			trans	-73.5	165.6	177.4	-60.8	-179.5	77.4	0	0	113.6
326	P	50.5	Low	43.1	Very low	119 Å²	119	145.2 Å²	145.2	77%	0.773	79%	0.79	S	S	*	*			trans	-108.4	132.4	146.3	31	-20	0	0	0	112.4
327	V	39.9	Very low	44.1	Very low	116 Å²	116	153.3 Å²	153.3	70%	0.703	82%	0.815	S	S	*	*			trans	-84.5	132.8	167.5	171.9	0	0	0	0	108.5
328	T	51.1	Low	44.5	Very low	136 Å²	136	153.5 Å²	153.5	83%	0.834	82%	0.816	S	S	*	*			trans	-107.2	121.6	163.7	48.8	0	0	0	0	109.7
329	H	42.3	Very low	44.9	Very low	166 Å²	166	154.7 Å²	154.7	77%	0.769	82%	0.822	S	S	*	*			trans	-69	141	168.3	-71.9	-96.6	0	0	0	109.7
330	N	42.7	Very low	45.1	Very low	167 Å²	167	154.3 Å²	154.3	89%	0.893	82%	0.82	S	S	*	*			trans	-140.5	102.7	146	-94.1	-13.8	0	0	0	107.8
331	S	42.5	Very low	45.4	Very low	97 Å²	97	155.6 Å²	155.6	68%	0.678	83%	0.826	S	S	*	*			trans	-65.4	135.2	158.9	46.2	0	0	0	0	109.5
332	D	48.8	Very low	45.5	Very low	155 Å²	155	155.3 Å²	155.3	83%	0.829	83%	0.825	S	S	*	*			trans	-153.5	104.9	144	-89.3	-32.5	0	0	0	109.2
333	T	48.5	Very low	45.9	Very low	129 Å²	129	151.8 Å²	151.8	79%	0.791	83%	0.825	S	S	*	*			trans	-81.9	125.6	164.4	45.7	0	0	0	0	108.7
334	F	49.5	Very low	46.1	Very low	206 Å²	206	148.1 Å²	148.1	90%	0.904	82%	0.82	S	S	*	*			trans	-134.8	136.1	153.3	-97.4	-83	0	0	0	110.4
335	S	41.1	Very low	46.3	Very low	107 Å²	107	147.8 Å²	147.8	75%	0.748	82%	0.824	S	S	*	*			trans	-90.6	174.5	-168	-172.7	0	0	0	0	111.9
336	T	49.5	Very low	46.9	Very low	129 Å²	129	146.8 Å²	146.8	79%	0.791	83%	0.827	S	S	*	*			trans	85.2	118.5	163.2	-20.7	0	0	0	0	112.9
337	I	57	Low	46.6	Very low	235 Å²	235	149.4 Å²	149.4	100%	1.205	83%	0.831	S	S	*	*			cis	-141	0	43.1	-76	166.7	0	0	0	110

Retrieved 337 of 337 residues in 573.3 ms (Link to these results)

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