A0A3Q0KQ81_SCHMA Loading...

Basic helix-loop-helix transcription factor,hes-related

AlphaFold DB , UniProt , Accession A0A3Q0KQ81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 286 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	59.9	Low	50.6	Low	238 Å²	238	155.3 Å²	155.3	100%	1.172	84%	0.835	S	S	*	*				0	107.5	0	-74.2	179.4	171.1	0	0	107.4
2	Y	46.6	Very low	49.9	Very low	229 Å²	229	154.4 Å²	154.4	90%	0.898	83%	0.828	S	S	*	*			trans	-84.2	135.9	-179.7	-74.4	-96.2	0	0	0	109.4
3	T	65.4	Low	49.4	Very low	145 Å²	145	156 Å²	156	89%	0.89	83%	0.827	S	S	*	*			trans	-110.3	103.3	169.8	57.9	0	0	0	0	109.2
4	S	43.1	Very low	48.7	Very low	113 Å²	113	157 Å²	157	79%	0.79	82%	0.824	S	S	*	*			trans	-87.6	141.1	166.7	-61	0	0	0	0	109.7
5	T	65.8	Low	48	Very low	139 Å²	139	152.1 Å²	152.1	85%	0.853	81%	0.808	S	S	*	*			trans	-131.4	149.2	155.2	49	0	0	0	0	109.9
6	P	51.7	Low	47.5	Very low	126 Å²	126	153.4 Å²	153.4	82%	0.818	81%	0.811	S	S	*	*			trans	-102.7	165.9	-150.6	36.3	-27.1	0	0	0	114.4
7	Y	34.5	Very low	47.1	Very low	188 Å²	188	154.6 Å²	154.6	74%	0.737	82%	0.815	S	S	*	*			trans	-72.2	144.5	179.4	-167	-97.4	0	0	0	112.6	N9	Y7-N9 HydrophobicContact CE1-CB 3.98Å; Y7-N9 WeakPolarHBondContact CE1-OD1 3.35Å; Y7-N9 PolarHBondContact OH-OD1 3.17Å
8	T	59.8	Low	47	Very low	136 Å²	136	151.2 Å²	151.2	83%	0.834	80%	0.804	S	S	*	*			trans	-128.7	113.4	162.5	57.3	0	0	0	0	110.4
9	N	39.5	Very low	46.5	Very low	105 Å²	105	151.1 Å²	151.1	56%	0.561	80%	0.804	S	S	*	*			trans	-88	136.1	160.9	-97.8	-7.7	0	0	0	107.5	Y7	Y7-N9 HydrophobicContact CE1-CB 3.98Å; Y7-N9 WeakPolarHBondContact CE1-OD1 3.35Å; Y7-N9 PolarHBondContact OH-OD1 3.17Å
10	N	51.1	Low	46	Very low	177 Å²	177	153.6 Å²	153.6	95%	0.947	81%	0.81	S	S	*	*			trans	-129.9	130	154.7	-101.3	-3.7	0	0	0	109.8
11	T	39	Very low	46.2	Very low	112 Å²	112	154 Å²	154	69%	0.687	81%	0.81	S	S	*	*			trans	-107.4	152.7	-169.6	-46.4	0	0	0	0	109.4
12	I	41.9	Very low	45	Very low	145 Å²	145	148.7 Å²	148.7	74%	0.744	79%	0.786	S	S	*	*			trans	75.3	113.9	157.7	-29.6	-176	0	0	0	116.6
13	Q	43.5	Very low	45.2	Very low	175 Å²	175	145.5 Å²	145.5	82%	0.818	78%	0.783	S	S	*	*				176.8	122.2	103.8	-87.7	-168.3	15.4	0	0	114.4
14	H	40.4	Very low	43.9	Very low	170 Å²	170	141.9 Å²	141.9	79%	0.787	76%	0.763	S	S	*	*			trans	62.4	114.3	135.3	-119.6	-90.2	0	0	0	122.3
15	S	37.6	Very low	43.5	Very low	84 Å²	84	143.7 Å²	143.7	59%	0.587	77%	0.765	S	S	*	*			trans	25.6	124.3	143.7	72.7	0	0	0	0	120
16	M	39.7	Very low	42.3	Very low	173 Å²	173	142.8 Å²	142.8	85%	0.852	76%	0.759	S	S	*	*				-177.1	114.5	112.2	-82.3	-129.6	159.8	0	0	108.1
17	I	42	Very low	42	Very low	173 Å²	173	143.7 Å²	143.7	89%	0.887	76%	0.755	S	S	*	*			trans	-94	121	162.2	-64.5	164.3	0	0	0	105.1
18	P	44.7	Very low	42.3	Very low	93 Å²	93	142.1 Å²	142.1	60%	0.604	76%	0.755	S	S	*	*			trans	-127.8	139.8	136.3	1.6	20.4	0	0	0	113
19	D	36.4	Very low	41.5	Very low	150 Å²	150	144.5 Å²	144.5	80%	0.802	75%	0.754	S	S	*	*			trans	86	98.4	147.2	-53.2	-21.9	0	0	0	119.4	M21	D19-M21 PolarHBondContact O-N 3.32Å; D19-M21 VanDerWaalsContact O-N 3.13Å
20	E	38.4	Very low	41.5	Very low	200 Å²	200	145.5 Å²	145.5	94%	0.935	76%	0.759	S	S	*	*			trans	-43.8	108.9	151.6	-74	-171.7	133.3	0	0	110.6	D22	E20-D22 PolarHBondContact O-N 3.33Å
21	M	49.6	Very low	41.1	Very low	163 Å²	163	142.4 Å²	142.4	80%	0.803	75%	0.751	S	S	*	*			trans	-82.4	101.1	164.4	-166.2	169	65.3	0	0	108	D19 I23	D19-M21 PolarHBondContact O-N 3.32Å; D19-M21 VanDerWaalsContact O-N 3.13Å; M21-I23 WeakPolarHBondContact O-CG1 3.45Å; M21-I23 PolarHBondContact O-N 3.24Å; M21-I23 VanDerWaalsContact O-N 3.1Å
22	D	35	Very low	41.1	Very low	127 Å²	127	143.3 Å²	143.3	68%	0.679	75%	0.752	S	S	*	*			trans	-53.2	105.9	169.4	-171.7	0.9	0	0	0	109.8	E20 S24	E20-D22 PolarHBondContact O-N 3.33Å; D22-S24 PolarHBondContact O-N 3.08Å; D22-S24 WeakPolarHBondContact OD1-CB 3.4Å; D22-S24 PolarHBondContact OD1-N 3.21Å; D22-S24 PolarHBondContact OD1-OG 3.35Å
23	I	50.4	Low	41.3	Very low	162 Å²	162	141 Å²	141	83%	0.831	74%	0.737	S	S	*	*			trans	-86.5	56.8	174.7	-48	173.3	0	0	0	108	M21	M21-I23 WeakPolarHBondContact O-CG1 3.45Å; M21-I23 PolarHBondContact O-N 3.24Å; M21-I23 VanDerWaalsContact O-N 3.1Å
24	S	37.2	Very low	41.2	Very low	68 Å²	68	140.6 Å²	140.6	48%	0.476	74%	0.74	S	S	.	*			trans	-101.5	122.3	163.1	-61.6	0	0	0	0	106.9	D22	D22-S24 PolarHBondContact O-N 3.08Å; D22-S24 WeakPolarHBondContact OD1-CB 3.4Å; D22-S24 PolarHBondContact OD1-N 3.21Å; D22-S24 PolarHBondContact OD1-OG 3.35Å
25	N	36.4	Very low	41.2	Very low	152 Å²	152	134.5 Å²	134.5	81%	0.813	72%	0.723	S	S	*	*	S	Bend	trans	74.7	82.2	163.4	-44.6	-37.1	0	0	0	117.2
26	T	40.3	Very low	41.5	Very low	119 Å²	119	134.6 Å²	134.6	73%	0.73	72%	0.72	S	S	*	*			trans	-161.2	79.4	138.2	-68	0	0	0	0	108.3	Q28	T26-Q28 VanDerWaalsContact C-N 3.25Å; T26-Q28 HydrophobicContact CG2-CB 4.31Å; T26-Q28 HydrophobicContact CG2-CG 3.71Å; T26-Q28 PolarHBondContact O-N 3.17Å; T26-Q28 VanDerWaalsContact O-N 3.1Å
27	I	45.2	Very low	42.2	Very low	146 Å²	146	131.6 Å²	131.6	75%	0.749	70%	0.704	S	S	*	*			trans	-77	84.7	162.6	-58.2	-176.7	0	0	0	106.2	F29	I27-F29 HydrophobicContact CG2-CD2 3.27Å; I27-F29 HydrophobicContact CG2-CE2 3.4Å; I27-F29 HydrophobicContact CG2-CG 4.3Å; I27-F29 PolarHBondContact O-N 2.58Å
28	Q	40.4	Very low	43	Very low	154 Å²	154	128.1 Å²	128.1	72%	0.72	69%	0.691	S	S	*	*			trans	-86.9	92.2	160	-78.7	-163.5	10.5	0	0	108.2	T26 N30	T26-Q28 VanDerWaalsContact C-N 3.25Å; T26-Q28 HydrophobicContact CG2-CB 4.31Å; T26-Q28 HydrophobicContact CG2-CG 3.71Å; T26-Q28 PolarHBondContact O-N 3.17Å; T26-Q28 VanDerWaalsContact O-N 3.1Å; Q28-N30 PolarHBondContact O-N 3.17Å
29	F	42.6	Very low	43.4	Very low	187 Å²	187	124.9 Å²	124.9	82%	0.82	67%	0.67	S	S	*	*			trans	-64.4	83.9	155.5	-85.1	-79.6	0	0	0	107.5	I27 S31	I27-F29 HydrophobicContact CG2-CD2 3.27Å; I27-F29 HydrophobicContact CG2-CE2 3.4Å; I27-F29 HydrophobicContact CG2-CG 4.3Å; I27-F29 PolarHBondContact O-N 2.58Å; F29-S31 PolarHBondContact O-N 3.27Å
30	N	40.2	Very low	44.2	Very low	125 Å²	125	119.6 Å²	119.6	67%	0.668	64%	0.639	S	S	*	*			trans	-74.6	97.8	175.8	-141.2	22	0	0	0	108.2	Q28 N32	Q28-N30 PolarHBondContact O-N 3.17Å; N30-N32 PolarHBondContact O-N 2.74Å
31	S	42.6	Very low	45.2	Very low	112 Å²	112	116.6 Å²	116.6	78%	0.783	62%	0.623	S	S	*	*			trans	-73.2	45.9	-179.9	46.8	0	0	0	0	113.2	F29	F29-S31 PolarHBondContact O-N 3.27Å
32	N	38.6	Very low	45.7	Very low	132 Å²	132	116.5 Å²	116.5	71%	0.706	62%	0.618	S	S	*	*			trans	-129.3	76.2	173.2	-92.5	-14.9	0	0	0	110.3	N30	N30-N32 PolarHBondContact O-N 2.74Å
33	F	46.2	Very low	47	Very low	97 Å²	97	117.4 Å²	117.4	43%	0.425	61%	0.612	S	S	.	*			trans	-103.1	51.2	-174.5	-148.9	-100	0	0	0	112.7	W40	F33-W40 HydrophobicContact CB-CH2 3.89Å; F33-W40 HydrophobicContact CB-CZ2 4.41Å; F33-W40 HydrophobicContact CB-CZ3 4.09Å; F33-W40 HydrophobicContact CD1-CD2 4.08Å; F33-W40 AromaticContact CD1-CE3 3.29Å; F33-W40 HydrophobicContact CD1-CE3 3.29Å; F33-W40 AromaticContact CD1-CH2 3.78Å; F33-W40 HydrophobicContact CD1-CH2 3.78Å; F33-W40 HydrophobicContact CD1-CZ2 4.49Å; F33-W40 AromaticContact CD1-CZ3 3.09Å; F33-W40 HydrophobicContact CD1-CZ3 3.09Å; F33-W40 AromaticContact CD2-CD2 3.54Å; F33-W40 HydrophobicContact CD2-CD2 3.54Å; F33-W40 AromaticContact CD2-CE2 3.51Å; F33-W40 AromaticContact CD2-CE3 3.64Å; F33-W40 HydrophobicContact CD2-CE3 3.64Å; F33-W40 HydrophobicContact CD2-CG 4.14Å; F33-W40 AromaticContact CD2-CH2 3.69Å; F33-W40 HydrophobicContact CD2-CH2 3.69Å; F33-W40 AromaticContact CD2-CZ2 3.61Å; F33-W40 HydrophobicContact CD2-CZ2 3.61Å; F33-W40 AromaticContact CD2-CZ3 3.7Å; F33-W40 HydrophobicContact CD2-CZ3 3.7Å; F33-W40 HydrophobicContact CE1-CB 4.29Å; F33-W40 AromaticContact CE1-CD2 3.68Å; F33-W40 HydrophobicContact CE1-CD2 3.68Å; F33-W40 AromaticContact CE1-CE3 2.98Å; F33-W40 HydrophobicContact CE1-CE3 2.98Å; F33-W40 HydrophobicContact CE1-CG 4.25Å; F33-W40 HydrophobicContact CE1-CH2 4.33Å; F33-W40 AromaticContact CE1-CZ3 3.38Å; F33-W40 HydrophobicContact CE1-CZ3 3.38Å; F33-W40 HydrophobicContact CE2-CB 3.68Å; F33-W40 AromaticContact CE2-CD1 3.69Å; F33-W40 AromaticContact CE2-CD2 3.08Å; F33-W40 HydrophobicContact CE2-CD2 3.08Å; F33-W40 AromaticContact CE2-CE2 3.47Å; F33-W40 VanDerWaalsContact CE2-CE2 3.47Å; F33-W40 AromaticContact CE2-CE3 3.37Å; F33-W40 HydrophobicContact CE2-CE3 3.37Å; F33-W40 AromaticContact CE2-CG 3.25Å; F33-W40 HydrophobicContact CE2-CG 3.25Å; F33-W40 HydrophobicContact CE2-CH2 4.26Å; F33-W40 HydrophobicContact CE2-CZ2 4.06Å; F33-W40 AromaticContact CE2-CZ3 3.95Å; F33-W40 HydrophobicContact CE2-CZ3 3.95Å; F33-W40 AromaticContact CE2-NE1 3.84Å; F33-W40 HydrophobicContact CG-CD2 4.04Å; F33-W40 AromaticContact CG-CE3 3.63Å; F33-W40 HydrophobicContact CG-CE3 3.63Å; F33-W40 AromaticContact CG-CH2 3.45Å; F33-W40 HydrophobicContact CG-CH2 3.45Å; F33-W40 VanDerWaalsContact CG-CH2 3.45Å; F33-W40 AromaticContact CG-CZ2 3.88Å; F33-W40 HydrophobicContact CG-CZ2 3.88Å; F33-W40 AromaticContact CG-CZ3 3.3Å; F33-W40 HydrophobicContact CG-CZ3 3.3Å; F33-W40 HydrophobicContact CZ-CB 3.31Å; F33-W40 AromaticContact CZ-CD2 3.17Å; F33-W40 HydrophobicContact CZ-CD2 3.17Å; F33-W40 AromaticContact CZ-CE3 3.05Å; F33-W40 HydrophobicContact CZ-CE3 3.05Å; F33-W40 AromaticContact CZ-CG 3.33Å; F33-W40 HydrophobicContact CZ-CG 3.33Å; F33-W40 AromaticContact CZ-CZ3 3.82Å; F33-W40 HydrophobicContact CZ-CZ3 3.82Å; F33-W40 WeakPolarHBondContact O-CZ3 3.4Å
34	N	40.8	Very low	48.1	Very low	166 Å²	166	113 Å²	113	89%	0.888	59%	0.59	S	S	*	*			trans	-111.2	10.1	179.4	-68.8	-12.1	0	0	0	117
35	G	41.1	Very low	50	Low	41 Å²	41	117 Å²	117	42%	0.423	60%	0.599	S	S	.	*	S	Bend	trans	-131.6	109	176	0	0	0	0	0	114.3	W40	G35-W40 VanDerWaalsContact N-CH2 3.26Å; G35-W40 WeakPolarHBondContact O-CH2 3.2Å; G35-W40 WeakPolarHBondContact O-CZ2 3.01Å
36	T	44.1	Very low	52.3	Low	86 Å²	86	113.6 Å²	113.6	53%	0.528	59%	0.586	S	S	.	*			trans	72	72.1	171.4	72.4	0	0	0	0	117.4	T38 S39	T36-T38 PolarHBondContact O-N 3.29Å; T36-S39 PolarHBondContact O-N 3.01Å; T36-S39 PolarHBondContact O-OG 3.4Å; T36-S39 VanDerWaalsContact O-OG 3.1Å; T36-S39 WeakPolarHBondContact OG1-CB 3.4Å; T36-S39 PolarHBondContact OG1-OG 3.4Å
37	Q	54.4	Low	54.5	Low	111 Å²	111	113.1 Å²	113.1	52%	0.519	58%	0.578	S	S	.	*	H	α-helix	trans	-41.2	-28.3	164.3	-86	-86.2	-3.9	0	0	114.9	K41	Q37-K41 WeakPolarHBondContact O-CD 3.48Å; Q37-K41 VanDerWaalsContact O-CG 3.25Å; Q37-K41 WeakPolarHBondContact O-CG 3.48Å; Q37-K41 PolarHBondContact O-N 3.24Å
38	T	58	Low	56.5	Low	99 Å²	99	111 Å²	111	61%	0.607	57%	0.571	S	S	*	*	H	α-helix	trans	-79.2	-29.3	-179.1	60.8	0	0	0	0	113.9	T36 K42	T36-T38 PolarHBondContact O-N 3.29Å; T38-K42 WeakPolarHBondContact O-CG 3.42Å
39	S	54.2	Low	58.8	Low	25 Å²	25	105.9 Å²	105.9	18%	0.175	55%	0.547	C	S	.	.	H	α-helix	trans	-83.1	-35.9	-177.6	74.8	0	0	0	0	111.6	T36 K42 R43	T36-S39 PolarHBondContact O-N 3.01Å; T36-S39 PolarHBondContact O-OG 3.4Å; T36-S39 VanDerWaalsContact O-OG 3.1Å; T36-S39 WeakPolarHBondContact OG1-CB 3.4Å; T36-S39 PolarHBondContact OG1-OG 3.4Å; S39-K42 PolarHBondContact O-N 3.43Å; S39-R43 PolarHBondContact O-N 3.34Å; S39-R43 PolarHBondContact OG-NH2 2.96Å
40	W	52.3	Low	61.1	Low	40 Å²	40	103.9 Å²	103.9	15%	0.152	54%	0.538	C	S	.	.	H	α-helix	trans	-68	-37.5	173.7	-65.3	-51.5	0	0	0	112.8	F33 G35 K42 R43 N44	F33-W40 HydrophobicContact CB-CH2 3.89Å; F33-W40 HydrophobicContact CB-CZ2 4.41Å; F33-W40 HydrophobicContact CB-CZ3 4.09Å; F33-W40 HydrophobicContact CD1-CD2 4.08Å; F33-W40 AromaticContact CD1-CE3 3.29Å; F33-W40 HydrophobicContact CD1-CE3 3.29Å; F33-W40 AromaticContact CD1-CH2 3.78Å; F33-W40 HydrophobicContact CD1-CH2 3.78Å; F33-W40 HydrophobicContact CD1-CZ2 4.49Å; F33-W40 AromaticContact CD1-CZ3 3.09Å; F33-W40 HydrophobicContact CD1-CZ3 3.09Å; F33-W40 AromaticContact CD2-CD2 3.54Å; F33-W40 HydrophobicContact CD2-CD2 3.54Å; F33-W40 AromaticContact CD2-CE2 3.51Å; F33-W40 AromaticContact CD2-CE3 3.64Å; F33-W40 HydrophobicContact CD2-CE3 3.64Å; F33-W40 HydrophobicContact CD2-CG 4.14Å; F33-W40 AromaticContact CD2-CH2 3.69Å; F33-W40 HydrophobicContact CD2-CH2 3.69Å; F33-W40 AromaticContact CD2-CZ2 3.61Å; F33-W40 HydrophobicContact CD2-CZ2 3.61Å; F33-W40 AromaticContact CD2-CZ3 3.7Å; F33-W40 HydrophobicContact CD2-CZ3 3.7Å; F33-W40 HydrophobicContact CE1-CB 4.29Å; F33-W40 AromaticContact CE1-CD2 3.68Å; F33-W40 HydrophobicContact CE1-CD2 3.68Å; F33-W40 AromaticContact CE1-CE3 2.98Å; F33-W40 HydrophobicContact CE1-CE3 2.98Å; F33-W40 HydrophobicContact CE1-CG 4.25Å; F33-W40 HydrophobicContact CE1-CH2 4.33Å; F33-W40 AromaticContact CE1-CZ3 3.38Å; F33-W40 HydrophobicContact CE1-CZ3 3.38Å; F33-W40 HydrophobicContact CE2-CB 3.68Å; F33-W40 AromaticContact CE2-CD1 3.69Å; F33-W40 AromaticContact CE2-CD2 3.08Å; F33-W40 HydrophobicContact CE2-CD2 3.08Å; F33-W40 AromaticContact CE2-CE2 3.47Å; F33-W40 VanDerWaalsContact CE2-CE2 3.47Å; F33-W40 AromaticContact CE2-CE3 3.37Å; F33-W40 HydrophobicContact CE2-CE3 3.37Å; F33-W40 AromaticContact CE2-CG 3.25Å; F33-W40 HydrophobicContact CE2-CG 3.25Å; F33-W40 HydrophobicContact CE2-CH2 4.26Å; F33-W40 HydrophobicContact CE2-CZ2 4.06Å; F33-W40 AromaticContact CE2-CZ3 3.95Å; F33-W40 HydrophobicContact CE2-CZ3 3.95Å; F33-W40 AromaticContact CE2-NE1 3.84Å; F33-W40 HydrophobicContact CG-CD2 4.04Å; F33-W40 AromaticContact CG-CE3 3.63Å; F33-W40 HydrophobicContact CG-CE3 3.63Å; F33-W40 AromaticContact CG-CH2 3.45Å; F33-W40 HydrophobicContact CG-CH2 3.45Å; F33-W40 VanDerWaalsContact CG-CH2 3.45Å; F33-W40 AromaticContact CG-CZ2 3.88Å; F33-W40 HydrophobicContact CG-CZ2 3.88Å; F33-W40 AromaticContact CG-CZ3 3.3Å; F33-W40 HydrophobicContact CG-CZ3 3.3Å; F33-W40 HydrophobicContact CZ-CB 3.31Å; F33-W40 AromaticContact CZ-CD2 3.17Å; F33-W40 HydrophobicContact CZ-CD2 3.17Å; F33-W40 AromaticContact CZ-CE3 3.05Å; F33-W40 HydrophobicContact CZ-CE3 3.05Å; F33-W40 AromaticContact CZ-CG 3.33Å; F33-W40 HydrophobicContact CZ-CG 3.33Å; F33-W40 AromaticContact CZ-CZ3 3.82Å; F33-W40 HydrophobicContact CZ-CZ3 3.82Å; F33-W40 WeakPolarHBondContact O-CZ3 3.4Å; G35-W40 VanDerWaalsContact N-CH2 3.26Å; G35-W40 WeakPolarHBondContact O-CH2 3.2Å; G35-W40 WeakPolarHBondContact O-CZ2 3.01Å; W40-K42 PolarHBondContact O-N 3.08Å; W40-R43 PolarHBondContact O-N 3.37Å; W40-N44 VanDerWaalsContact O-CB 3.26Å; W40-N44 WeakPolarHBondContact O-CB 3.28Å; W40-N44 PolarHBondContact O-N 3.02Å; W40-N44 PolarHBondContact O-ND2 3.37Å
41	K	59.7	Low	63.5	Low	136 Å²	136	106.2 Å²	106.2	59%	0.591	54%	0.538	S	S	*	.	H	α-helix	trans	-61.6	-30.8	171.7	-74	175.5	-176	-177.8	0	112.2	Q37 K45	Q37-K41 WeakPolarHBondContact O-CD 3.48Å; Q37-K41 VanDerWaalsContact O-CG 3.25Å; Q37-K41 WeakPolarHBondContact O-CG 3.48Å; Q37-K41 PolarHBondContact O-N 3.24Å; K41-K45 WeakPolarHBondContact O-CD 3.37Å; K41-K45 WeakPolarHBondContact O-CG 3.38Å
42	K	61.1	Low	66	Low	162 Å²	162	105 Å²	105	70%	0.704	52%	0.516	S	S	*	.	H	α-helix	trans	-80.3	-39.6	176.1	-70.2	175.5	-178.5	-178.1	0	112.8	T38 S39 W40 P46	T38-K42 WeakPolarHBondContact O-CG 3.42Å; S39-K42 PolarHBondContact O-N 3.43Å; W40-K42 PolarHBondContact O-N 3.08Å; K42-P46 WeakPolarHBondContact O-CD 3.33Å
43	R	60.5	Low	68.8	Low	146 Å²	146	105.4 Å²	105.4	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-78.9	-30.5	-179.1	-75.2	-170.1	-107.7	103.9	-0.5	114.5	S39 W40 P46	S39-R43 PolarHBondContact O-N 3.34Å; S39-R43 PolarHBondContact OG-NH2 2.96Å; W40-R43 PolarHBondContact O-N 3.37Å; R43-P46 VanDerWaalsContact O-CD 3.27Å; R43-P46 WeakPolarHBondContact O-CD 3.46Å; R43-P46 WeakPolarHBondContact O-CG 3.26Å
44	N	73.6	Confident	71.1	Confident	68 Å²	68	107.1 Å²	107.1	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-85.8	-20.3	-179.4	-70	-54	0	0	0	113.8	W40 L47 V48	W40-N44 VanDerWaalsContact O-CB 3.26Å; W40-N44 WeakPolarHBondContact O-CB 3.28Å; W40-N44 PolarHBondContact O-N 3.02Å; W40-N44 PolarHBondContact O-ND2 3.37Å; N44-L47 PolarHBondContact O-N 3.42Å; N44-L47 VanDerWaalsContact O-N 3.11Å; N44-V48 WeakPolarHBondContact O-CG2 3.29Å; N44-V48 PolarHBondContact O-N 2.9Å
45	K	77.3	Confident	73.7	Confident	152 Å²	152	106.4 Å²	106.4	66%	0.661	50%	0.502	S	S	*	.	H	α-helix	trans	-49.5	-49.8	173.4	-92.3	177.3	167.5	-159.2	0	114.4	K41 L47 V48 E49	K41-K45 WeakPolarHBondContact O-CD 3.37Å; K41-K45 WeakPolarHBondContact O-CG 3.38Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 3.25Å; K45-V48 PolarHBondContact O-N 3.41Å; K45-E49 WeakPolarHBondContact O-CB 3.38Å; K45-E49 PolarHBondContact O-N 3.33Å
46	P	86.2	Confident	76.2	Confident	82 Å²	82	107.7 Å²	107.7	53%	0.532	50%	0.498	S	S	.	.	H	α-helix	trans	-63.7	-33.7	177.8	23.6	-35	0	0	0	113.1	K42 R43 K50	K42-P46 WeakPolarHBondContact O-CD 3.33Å; R43-P46 VanDerWaalsContact O-CD 3.27Å; R43-P46 WeakPolarHBondContact O-CD 3.46Å; R43-P46 WeakPolarHBondContact O-CG 3.26Å; P46-K50 VanDerWaalsContact O-CB 3.32Å; P46-K50 WeakPolarHBondContact O-CB 3.14Å; P46-K50 PolarHBondContact O-N 2.86Å
47	L	85.5	Confident	78.6	Confident	109 Å²	109	107.2 Å²	107.2	57%	0.571	49%	0.492	S	S	*	.	H	α-helix	trans	-70.9	-45.1	177.9	-65.1	176.7	0	0	0	111.9	N44 K45 E49 K50 R51	N44-L47 PolarHBondContact O-N 3.42Å; N44-L47 VanDerWaalsContact O-N 3.11Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 3.25Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.02Å; L47-K50 PolarHBondContact O-N 3.5Å; L47-R51 PolarHBondContact O-N 3.25Å
48	V	86.4	Confident	80.5	Confident	100 Å²	100	107.6 Å²	107.6	61%	0.606	49%	0.494	S	S	*	.	H	α-helix	trans	-60.5	-44.6	175.9	173.7	0	0	0	0	110.4	N44 K45 R51 R52	N44-V48 WeakPolarHBondContact O-CG2 3.29Å; N44-V48 PolarHBondContact O-N 2.9Å; K45-V48 PolarHBondContact O-N 3.41Å; V48-R51 PolarHBondContact O-N 2.92Å; V48-R52 PolarHBondContact O-N 2.97Å
49	E	90.1	Very high	82.2	Confident	47 Å²	47	105.2 Å²	105.2	22%	0.22	48%	0.484	C	S	.	.	H	α-helix	trans	-66.8	-38.4	177.6	176.7	58	-166.8	0	0	112.3	K45 L47 R51 R52 R53	K45-E49 WeakPolarHBondContact O-CB 3.38Å; K45-E49 PolarHBondContact O-N 3.33Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.02Å; E49-R51 VanDerWaalsContact C-N 3.34Å; E49-R51 PolarHBondContact O-N 3.3Å; E49-R52 PolarHBondContact O-N 2.83Å; E49-R52 IonicContact OE1-CZ 2.66Å; E49-R52 IonicContact OE1-NE 3.56Å; E49-R52 PolarHBondContact OE1-NE 3.41Å; E49-R52 IonicContact OE1-NH2 2.66Å; E49-R52 PolarHBondContact OE1-NH2 3.5Å; E49-R52 IonicContact OE2-CZ 3.45Å; E49-R52 IonicContact OE2-NE 3.74Å; E49-R52 PolarHBondContact OE2-NE 2.95Å; E49-R52 IonicContact OE2-NH2 3.55Å; E49-R53 WeakPolarHBondContact O-CB 3.3Å; E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.14Å; E49-R53 PolarHBondContact O-N 2.9Å; E49-R53 IonicContact OE1-CZ 2.74Å; E49-R53 IonicContact OE1-NE 3.46Å; E49-R53 PolarHBondContact OE1-NE 2.85Å; E49-R53 IonicContact OE1-NH2 2.74Å; E49-R53 PolarHBondContact OE1-NH2 3.34Å
50	K	90.9	Very high	84	Confident	145 Å²	145	105 Å²	105	63%	0.63	48%	0.481	S	S	*	.	H	α-helix	trans	-58.8	-45.5	172.8	-174.1	177.9	-179.1	-179.1	0	111	P46 L47 R53 Q54	P46-K50 VanDerWaalsContact O-CB 3.32Å; P46-K50 WeakPolarHBondContact O-CB 3.14Å; P46-K50 PolarHBondContact O-N 2.86Å; L47-K50 PolarHBondContact O-N 3.5Å; K50-R53 PolarHBondContact O-N 3.49Å; K50-Q54 PolarHBondContact O-N 3.45Å
51	R	90.9	Very high	85.9	Confident	174 Å²	174	107.5 Å²	107.5	66%	0.657	50%	0.495	S	S	*	.	H	α-helix	trans	-64	-42	176.3	-170.7	-179.6	-71.6	171	-2.7	111.9	L47 V48 E49 R53 Q54 R55	L47-R51 PolarHBondContact O-N 3.25Å; V48-R51 PolarHBondContact O-N 2.92Å; E49-R51 VanDerWaalsContact C-N 3.34Å; E49-R51 PolarHBondContact O-N 3.3Å; R51-R53 PolarHBondContact O-N 3.28Å; R51-Q54 PolarHBondContact O-N 3.22Å; R51-R55 WeakPolarHBondContact O-CG 3.49Å; R51-R55 PolarHBondContact O-N 2.86Å
52	R	95.2	Very high	87.4	Confident	86 Å²	86	103.7 Å²	103.7	33%	0.325	48%	0.479	S	S	.	.	H	α-helix	trans	-58.9	-46.9	174.5	-169.3	-165.7	71	90.2	5.5	111.3	V48 E49 Q54 R55 I56	V48-R52 PolarHBondContact O-N 2.97Å; E49-R52 PolarHBondContact O-N 2.83Å; E49-R52 IonicContact OE1-CZ 2.66Å; E49-R52 IonicContact OE1-NE 3.56Å; E49-R52 PolarHBondContact OE1-NE 3.41Å; E49-R52 IonicContact OE1-NH2 2.66Å; E49-R52 PolarHBondContact OE1-NH2 3.5Å; E49-R52 IonicContact OE2-CZ 3.45Å; E49-R52 IonicContact OE2-NE 3.74Å; E49-R52 PolarHBondContact OE2-NE 2.95Å; E49-R52 IonicContact OE2-NH2 3.55Å; R52-Q54 VanDerWaalsContact C-N 3.35Å; R52-Q54 PolarHBondContact O-N 3.28Å; R52-R55 PolarHBondContact O-N 3.46Å; R52-I56 HydrophobicContact CG-CD1 4.22Å; R52-I56 WeakPolarHBondContact O-CG1 3.47Å; R52-I56 PolarHBondContact O-N 2.64Å
53	R	95.9	Very high	89	Confident	141 Å²	141	98.5 Å²	98.5	53%	0.532	46%	0.458	S	S	.	.	H	α-helix	trans	-61.5	-40.9	177.3	-73.5	172.6	-175.1	157.3	2.1	112.3	E49 K50 R51 I56 N57	E49-R53 WeakPolarHBondContact O-CB 3.3Å; E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.14Å; E49-R53 PolarHBondContact O-N 2.9Å; E49-R53 IonicContact OE1-CZ 2.74Å; E49-R53 IonicContact OE1-NE 3.46Å; E49-R53 PolarHBondContact OE1-NE 2.85Å; E49-R53 IonicContact OE1-NH2 2.74Å; E49-R53 PolarHBondContact OE1-NH2 3.34Å; K50-R53 PolarHBondContact O-N 3.49Å; R51-R53 PolarHBondContact O-N 3.28Å; R53-I56 PolarHBondContact O-N 3.47Å; R53-N57 WeakPolarHBondContact O-CB 3.22Å; R53-N57 PolarHBondContact O-N 3.42Å
54	Q	95	Very high	90.4	Very high	134 Å²	134	93.2 Å²	93.2	63%	0.626	44%	0.439	S	S	*	.	H	α-helix	trans	-60.8	-46.1	175.6	-174	177.4	-5.6	0	0	111.6	K50 R51 R52 I56 N57 H58	K50-Q54 PolarHBondContact O-N 3.45Å; R51-Q54 PolarHBondContact O-N 3.22Å; R52-Q54 VanDerWaalsContact C-N 3.35Å; R52-Q54 PolarHBondContact O-N 3.28Å; Q54-I56 PolarHBondContact O-N 3.43Å; Q54-N57 PolarHBondContact O-N 2.94Å; Q54-H58 WeakPolarHBondContact O-CB 3.34Å; Q54-H58 PolarHBondContact O-N 3.41Å
55	R	96.1	Very high	91.1	Very high	151 Å²	151	95.2 Å²	95.2	57%	0.57	44%	0.441	S	S	*	.	H	α-helix	trans	-60.1	-43.2	175.9	-68.4	-167.8	-56.8	-104.2	2.1	112.6	R51 R52 H58 A59	R51-R55 WeakPolarHBondContact O-CG 3.49Å; R51-R55 PolarHBondContact O-N 2.86Å; R52-R55 PolarHBondContact O-N 3.46Å; R55-H58 PolarHBondContact O-N 3.07Å; R55-A59 PolarHBondContact O-N 2.95Å
56	I	93.1	Very high	91.8	Very high	67 Å²	67	93.3 Å²	93.3	34%	0.344	44%	0.438	S	S	.	.	H	α-helix	trans	-65.2	-44.4	178.9	-70.4	169.5	0	0	0	111.4	R52 R53 Q54 H58 A59 L60	R52-I56 HydrophobicContact CG-CD1 4.22Å; R52-I56 WeakPolarHBondContact O-CG1 3.47Å; R52-I56 PolarHBondContact O-N 2.64Å; R53-I56 PolarHBondContact O-N 3.47Å; Q54-I56 PolarHBondContact O-N 3.43Å; I56-H58 VanDerWaalsContact C-N 3.34Å; I56-A59 PolarHBondContact O-N 3.03Å; I56-L60 HydrophobicContact CG2-CD1 4.2Å; I56-L60 WeakPolarHBondContact O-CG 3.46Å; I56-L60 PolarHBondContact O-N 3.05Å
57	N	94.4	Very high	91.9	Very high	76 Å²	76	90 Å²	90	41%	0.406	42%	0.415	S	S	.	.	H	α-helix	trans	-66.4	-37.8	178.4	-70.4	-18.1	0	0	0	111.6	R53 Q54 L60 E61 K80	R53-N57 WeakPolarHBondContact O-CB 3.22Å; R53-N57 PolarHBondContact O-N 3.42Å; Q54-N57 PolarHBondContact O-N 2.94Å; N57-L60 PolarHBondContact O-N 3.44Å; N57-E61 PolarHBondContact O-N 3.23Å; N57-K80 PolarHBondContact OD1-NZ 3.01Å
58	H	94	Very high	92	Very high	119 Å²	119	84.9 Å²	84.9	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-58.8	-49.2	172.4	-178.6	-80.5	0	0	0	111.1	Q54 R55 I56 L60 E61 E62	Q54-H58 WeakPolarHBondContact O-CB 3.34Å; Q54-H58 PolarHBondContact O-N 3.41Å; R55-H58 PolarHBondContact O-N 3.07Å; I56-H58 VanDerWaalsContact C-N 3.34Å; H58-L60 VanDerWaalsContact C-N 3.3Å; H58-L60 PolarHBondContact O-N 2.89Å; H58-E61 PolarHBondContact O-N 3.49Å; H58-E62 WeakPolarHBondContact O-CG 3.38Å; H58-E62 PolarHBondContact O-N 3.25Å
59	A	93.3	Very high	91.9	Very high	49 Å²	49	85 Å²	85	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-60.3	-38.1	177.1	0	0	0	0	0	112.8	R55 I56 E62 L63	R55-A59 PolarHBondContact O-N 2.95Å; I56-A59 PolarHBondContact O-N 3.03Å; A59-E62 PolarHBondContact O-N 3.21Å; A59-L63 VanDerWaalsContact O-CG 3.31Å; A59-L63 WeakPolarHBondContact O-CG 3.47Å; A59-L63 PolarHBondContact O-N 3.06Å
60	L	92.7	Very high	91.5	Very high	21 Å²	21	87.6 Å²	87.6	11%	0.11	40%	0.403	C	S	.	.	H	α-helix	trans	-66.2	-38.1	175.8	-76.3	170.2	0	0	0	112.8	I56 N57 H58 L63 R64 K80 I83 L84	I56-L60 HydrophobicContact CG2-CD1 4.2Å; I56-L60 WeakPolarHBondContact O-CG 3.46Å; I56-L60 PolarHBondContact O-N 3.05Å; N57-L60 PolarHBondContact O-N 3.44Å; H58-L60 VanDerWaalsContact C-N 3.3Å; H58-L60 PolarHBondContact O-N 2.89Å; L60-L63 HydrophobicContact CD2-CD1 4.5Å; L60-L63 PolarHBondContact O-N 3.46Å; L60-R64 PolarHBondContact O-N 3.38Å; L60-K80 HydrophobicContact CD1-CD 4Å; L60-K80 HydrophobicContact CD1-CG 4.21Å; L60-I83 HydrophobicContact CD2-CG2 4.1Å; L60-L84 HydrophobicContact CD2-CD2 3.95Å; L60-L84 HydrophobicContact CD2-CG 4.26Å
61	E	91.6	Very high	91.1	Very high	93 Å²	93	86.6 Å²	86.6	44%	0.435	40%	0.396	S	S	.	.	H	α-helix	trans	-68.3	-40.3	176.3	-166.1	58.8	-138.9	0	0	111.4	N57 H58 L63 R64 R65	N57-E61 PolarHBondContact O-N 3.23Å; H58-E61 PolarHBondContact O-N 3.49Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 2.92Å; E61-R64 PolarHBondContact O-N 3.45Å; E61-R64 IonicContact OE1-CZ 3.22Å; E61-R64 IonicContact OE1-NH1 3.12Å; E61-R64 PolarHBondContact OE1-NH1 3.12Å; E61-R65 WeakPolarHBondContact O-CB 3.36Å; E61-R65 PolarHBondContact O-N 2.91Å
62	E	92.2	Very high	90.4	Very high	56 Å²	56	81.6 Å²	81.6	26%	0.262	38%	0.381	S	S	.	.	H	α-helix	trans	-57.6	-46.1	171.8	-68.3	-68.5	115	0	0	111.3	H58 A59 R64 R65 L66	H58-E62 WeakPolarHBondContact O-CG 3.38Å; H58-E62 PolarHBondContact O-N 3.25Å; A59-E62 PolarHBondContact O-N 3.21Å; E62-R64 PolarHBondContact O-N 3.45Å; E62-R65 PolarHBondContact O-N 3.45Å; E62-R65 IonicContact OE1-CZ 3.52Å; E62-R65 VanDerWaalsContact OE1-CZ 3.22Å; E62-R65 IonicContact OE1-NH1 2.74Å; E62-R65 PolarHBondContact OE1-NH1 3.35Å; E62-R65 IonicContact OE1-NH2 3.54Å; E62-R65 PolarHBondContact OE1-NH2 3.21Å; E62-R65 VanDerWaalsContact OE1-NH2 3.12Å; E62-R65 IonicContact OE2-CZ 2.75Å; E62-R65 IonicContact OE2-NH1 3.8Å; E62-R65 IonicContact OE2-NH2 3.04Å; E62-R65 PolarHBondContact OE2-NH2 3.16Å; E62-L66 WeakPolarHBondContact O-CB 3.34Å; E62-L66 VanDerWaalsContact O-CG 3.29Å; E62-L66 WeakPolarHBondContact O-CG 3.14Å; E62-L66 PolarHBondContact O-N 2.81Å
63	L	93.6	Very high	89.2	Confident	52 Å²	52	86.9 Å²	86.9	27%	0.272	41%	0.406	S	S	.	.	H	α-helix	trans	-61.3	-44	176.2	-71.7	175.2	0	0	0	111.9	A59 L60 E61 L66 I67 I83 T87	A59-L63 VanDerWaalsContact O-CG 3.31Å; A59-L63 WeakPolarHBondContact O-CG 3.47Å; A59-L63 PolarHBondContact O-N 3.06Å; L60-L63 HydrophobicContact CD2-CD1 4.5Å; L60-L63 PolarHBondContact O-N 3.46Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 2.92Å; L63-L66 PolarHBondContact O-N 3.24Å; L63-I67 HydrophobicContact CD2-CD1 3.87Å; L63-I67 VanDerWaalsContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CB 3.46Å; L63-I67 PolarHBondContact O-N 3.24Å; L63-I83 HydrophobicContact CB-CG2 4.07Å; L63-T87 HydrophobicContact CD1-CG2 4.4Å; L63-T87 HydrophobicContact CD2-CG2 3.92Å
64	R	89.7	Confident	87.7	Confident	36 Å²	36	88.4 Å²	88.4	14%	0.136	42%	0.419	C	S	.	.	I	π-helix	trans	-59.1	-48.7	176.4	176.8	178.4	170.6	-91.2	-5.4	111.4	L60 E61 E62 I68 E69 S75 I83	L60-R64 PolarHBondContact O-N 3.38Å; E61-R64 PolarHBondContact O-N 3.45Å; E61-R64 IonicContact OE1-CZ 3.22Å; E61-R64 IonicContact OE1-NH1 3.12Å; E61-R64 PolarHBondContact OE1-NH1 3.12Å; E62-R64 PolarHBondContact O-N 3.45Å; R64-I68 HydrophobicContact CB-CD1 4.39Å; R64-I68 HydrophobicContact CG-CD1 4.43Å; R64-I68 WeakPolarHBondContact O-CA 3.34Å; R64-I68 WeakPolarHBondContact O-CB 3.49Å; R64-I68 PolarHBondContact O-N 2.87Å; R64-E69 PolarHBondContact O-N 2.92Å; R64-S75 PolarHBondContact NE-O 3.28Å; R64-S75 VanDerWaalsContact NH2-C 3.3Å; R64-S75 PolarHBondContact NH2-O 3.47Å; R64-S75 PolarHBondContact NH2-OG 2.92Å; R64-I83 HydrophobicContact CB-CD1 4.3Å
65	R	90	Very high	86.3	Confident	110 Å²	110	82.3 Å²	82.3	42%	0.415	39%	0.392	S	S	.	.	I	π-helix	trans	-62.6	-45.2	179.8	-170.8	-176.6	70.8	-132.8	-6.2	112.4	E61 E62 E69 P70	E61-R65 WeakPolarHBondContact O-CB 3.36Å; E61-R65 PolarHBondContact O-N 2.91Å; E62-R65 PolarHBondContact O-N 3.45Å; E62-R65 IonicContact OE1-CZ 3.52Å; E62-R65 VanDerWaalsContact OE1-CZ 3.22Å; E62-R65 IonicContact OE1-NH1 2.74Å; E62-R65 PolarHBondContact OE1-NH1 3.35Å; E62-R65 IonicContact OE1-NH2 3.54Å; E62-R65 PolarHBondContact OE1-NH2 3.21Å; E62-R65 VanDerWaalsContact OE1-NH2 3.12Å; E62-R65 IonicContact OE2-CZ 2.75Å; E62-R65 IonicContact OE2-NH1 3.8Å; E62-R65 IonicContact OE2-NH2 3.04Å; E62-R65 PolarHBondContact OE2-NH2 3.16Å; R65-E69 WeakPolarHBondContact CG-OE2 3.27Å; R65-P70 WeakPolarHBondContact O-CD 3.11Å
66	L	91.1	Very high	84.9	Confident	112 Å²	112	82.2 Å²	82.2	59%	0.586	40%	0.402	S	S	*	.	I	π-helix	trans	-76.2	-35	-174.9	-68.6	174.1	0	0	0	113.2	E62 L63	E62-L66 WeakPolarHBondContact O-CB 3.34Å; E62-L66 VanDerWaalsContact O-CG 3.29Å; E62-L66 WeakPolarHBondContact O-CG 3.14Å; E62-L66 PolarHBondContact O-N 2.81Å; L63-L66 PolarHBondContact O-N 3.24Å
67	I	88.5	Confident	84	Confident	11 Å²	11	88.4 Å²	88.4	6%	0.056	43%	0.427	C	S	.	.	I	π-helix	trans	-107.2	-38.8	-167.3	-58.3	174.5	0	0	0	111.9	L63 R71 T87 F90	L63-I67 HydrophobicContact CD2-CD1 3.87Å; L63-I67 VanDerWaalsContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CB 3.46Å; L63-I67 PolarHBondContact O-N 3.24Å; I67-R71 VanDerWaalsContact CG2-NH1 3.33Å; I67-T87 HydrophobicContact CD1-CG2 3.55Å; I67-T87 WeakPolarHBondContact CD1-OG1 3.17Å; I67-F90 HydrophobicContact CB-CD1 4.47Å; I67-F90 HydrophobicContact CD1-CD1 3.88Å; I67-F90 HydrophobicContact CD1-CE1 4.5Å; I67-F90 HydrophobicContact CG1-CD1 3.81Å; I67-F90 HydrophobicContact CG1-CE1 4.13Å; I67-F90 HydrophobicContact CG2-CB 3.72Å; I67-F90 HydrophobicContact CG2-CD1 3.93Å; I67-F90 HydrophobicContact CG2-CG 3.96Å
68	I	86.8	Confident	83.4	Confident	3 Å²	3	87.2 Å²	87.2	2%	0.015	42%	0.42	C	S	.	.	I	π-helix	trans	-102.8	-45.9	-165.3	-50.5	173.1	0	0	0	112.2	R64 P70 R71 I72 L78 I83 M86	R64-I68 HydrophobicContact CB-CD1 4.39Å; R64-I68 HydrophobicContact CG-CD1 4.43Å; R64-I68 WeakPolarHBondContact O-CA 3.34Å; R64-I68 WeakPolarHBondContact O-CB 3.49Å; R64-I68 PolarHBondContact O-N 2.87Å; I68-P70 VanDerWaalsContact C-CD 3.43Å; I68-P70 VanDerWaalsContact C-N 3.29Å; I68-R71 WeakPolarHBondContact O-CA 3.41Å; I68-R71 PolarHBondContact O-N 3.21Å; I68-I72 HydrophobicContact CG2-CB 4.22Å; I68-I72 HydrophobicContact CG2-CD1 3.98Å; I68-I72 HydrophobicContact CG2-CG1 4.25Å; I68-I72 PolarHBondContact O-N 3.37Å; I68-L78 HydrophobicContact CB-CD1 4.27Å; I68-L78 HydrophobicContact CD1-CD1 3.79Å; I68-L78 HydrophobicContact CG2-CD1 3.4Å; I68-I83 HydrophobicContact CD1-CB 4.05Å; I68-I83 HydrophobicContact CD1-CG1 3.84Å; I68-I83 HydrophobicContact CD1-CG2 4.06Å; I68-M86 HydrophobicContact CD1-CB 4.22Å; I68-M86 HydrophobicContact CG1-CB 4.1Å
69	E	84.6	Confident	82.9	Confident	102 Å²	102	88 Å²	88	48%	0.477	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-38	178.6	-172.1	166.6	-151.5	0	0	113.5	R64 R65 R71	R64-E69 PolarHBondContact O-N 2.92Å; R65-E69 WeakPolarHBondContact CG-OE2 3.27Å; E69-R71 PolarHBondContact O-N 3.42Å
70	P	83	Confident	82.7	Confident	101 Å²	101	91.5 Å²	91.5	66%	0.656	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.9	173.8	-22.3	35.6	0	0	0	114.4	R65 I68	R65-P70 WeakPolarHBondContact O-CD 3.11Å; I68-P70 VanDerWaalsContact C-CD 3.43Å; I68-P70 VanDerWaalsContact C-N 3.29Å
71	R	80.9	Confident	82.7	Confident	125 Å²	125	93.1 Å²	93.1	47%	0.472	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-31.3	-175	-64.5	-172.4	-170.1	128.1	23.9	113.9	I67 I68 E69 F90	I67-R71 VanDerWaalsContact CG2-NH1 3.33Å; I68-R71 WeakPolarHBondContact O-CA 3.41Å; I68-R71 PolarHBondContact O-N 3.21Å; E69-R71 PolarHBondContact O-N 3.42Å; R71-F90 VanDerWaalsContact NH2-CG 3.28Å
72	I	77.6	Confident	82.6	Confident	68 Å²	68	91.6 Å²	91.6	35%	0.349	44%	0.441	S	S	.	.			trans	-132.4	111.1	-170.8	-52.4	179.6	0	0	0	109.3	I68 H74	I68-I72 HydrophobicContact CG2-CB 4.22Å; I68-I72 HydrophobicContact CG2-CD1 3.98Å; I68-I72 HydrophobicContact CG2-CG1 4.25Å; I68-I72 PolarHBondContact O-N 3.37Å; I72-H74 PolarHBondContact O-N 2.87Å
73	K	70.2	Confident	82.5	Confident	197 Å²	197	89.5 Å²	89.5	86%	0.857	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-7	-175.8	-64.5	-177.5	178.4	-179.7	0	115.2
74	H	63.5	Low	82.6	Confident	173 Å²	173	91.1 Å²	91.1	80%	0.801	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	50.9	-174.9	-58.3	-48.9	0	0	0	112.6	I72 N76	I72-H74 PolarHBondContact O-N 2.87Å; H74-N76 VanDerWaalsContact C-N 3.31Å; H74-N76 PolarHBondContact O-N 2.86Å
75	S	64.5	Low	82.7	Confident	7 Å²	7	94.6 Å²	94.6	5%	0.049	46%	0.461	C	S	.	.			trans	-85.8	14.4	-168.2	61.6	0	0	0	0	115.3	R64 K77	R64-S75 PolarHBondContact NE-O 3.28Å; R64-S75 VanDerWaalsContact NH2-C 3.3Å; R64-S75 PolarHBondContact NH2-O 3.47Å; R64-S75 PolarHBondContact NH2-OG 2.92Å; S75-K77 PolarHBondContact O-N 3.37Å; S75-K77 VanDerWaalsContact O-N 3.1Å
76	N	66.8	Low	82.7	Confident	148 Å²	148	92.8 Å²	92.8	79%	0.791	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.6	-166.7	-64.1	-4.5	0	0	0	114.9	H74	H74-N76 VanDerWaalsContact C-N 3.31Å; H74-N76 PolarHBondContact O-N 2.86Å
77	K	75.7	Confident	82.8	Confident	197 Å²	197	88 Å²	88	86%	0.857	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.4	36.9	-173.4	-152.5	172	-178.1	-178.4	0	113.8	S75	S75-K77 PolarHBondContact O-N 3.37Å; S75-K77 VanDerWaalsContact O-N 3.1Å
78	L	80.4	Confident	83	Confident	51 Å²	51	90.7 Å²	90.7	27%	0.267	45%	0.451	S	S	.	.			trans	-71.8	134.9	174.3	-69.1	165.7	0	0	0	110.1	I68 D82 I83	I68-L78 HydrophobicContact CB-CD1 4.27Å; I68-L78 HydrophobicContact CD1-CD1 3.79Å; I68-L78 HydrophobicContact CG2-CD1 3.4Å; L78-D82 HydrophobicContact CB-CB 4.34Å; L78-D82 HydrophobicContact CD2-CB 4.05Å; L78-I83 HydrophobicContact CB-CG1 4.03Å
79	E	85.1	Confident	83.1	Confident	137 Å²	137	96.2 Å²	96.2	64%	0.64	48%	0.475	S	S	*	.			trans	-71.2	159.1	174.4	-60.3	-165.6	154.9	0	0	110.1	A81 D82 I83	E79-A81 PolarHBondContact O-N 3.35Å; E79-D82 PolarHBondContact N-OD2 3.41Å; E79-D82 PolarHBondContact O-N 2.82Å; E79-D82 VanDerWaalsContact O-N 3.11Å; E79-I83 PolarHBondContact O-N 3.22Å; E79-I83 VanDerWaalsContact O-N 3.15Å
80	K	88.7	Confident	83.4	Confident	122 Å²	122	94.2 Å²	94.2	53%	0.53	46%	0.464	S	S	.	.	H	α-helix	trans	-58.4	-33.5	178	-65.1	-169.5	-180	-164.4	0	111.9	N57 L60 L84	N57-K80 PolarHBondContact OD1-NZ 3.01Å; L60-K80 HydrophobicContact CD1-CD 4Å; L60-K80 HydrophobicContact CD1-CG 4.21Å; K80-L84 VanDerWaalsContact O-CG 3.31Å; K80-L84 WeakPolarHBondContact O-CG 3.28Å; K80-L84 PolarHBondContact O-N 2.91Å
81	A	91.6	Very high	83.7	Confident	54 Å²	54	93.7 Å²	93.7	45%	0.446	46%	0.455	S	S	.	.	H	α-helix	trans	-65.1	-47.6	175.6	0	0	0	0	0	111.3	E79 I83 L84 D85	E79-A81 PolarHBondContact O-N 3.35Å; A81-I83 VanDerWaalsContact C-N 3.31Å; A81-I83 PolarHBondContact O-N 2.82Å; A81-L84 PolarHBondContact O-N 3.32Å; A81-L84 VanDerWaalsContact O-N 3.09Å; A81-D85 PolarHBondContact O-N 3.41Å
82	D	90.7	Very high	84.1	Confident	62 Å²	62	93.6 Å²	93.6	33%	0.332	46%	0.458	S	S	.	.	H	α-helix	trans	-59	-41.1	179.5	-58.8	-34.5	0	0	0	112.6	L78 E79 L84 D85 M86	L78-D82 HydrophobicContact CB-CB 4.34Å; L78-D82 HydrophobicContact CD2-CB 4.05Å; E79-D82 PolarHBondContact N-OD2 3.41Å; E79-D82 PolarHBondContact O-N 2.82Å; E79-D82 VanDerWaalsContact O-N 3.11Å; D82-L84 VanDerWaalsContact C-N 3.31Å; D82-L84 PolarHBondContact O-N 3.38Å; D82-D85 PolarHBondContact O-N 2.93Å; D82-M86 WeakPolarHBondContact O-CB 3.39Å; D82-M86 VanDerWaalsContact O-CG 3.31Å; D82-M86 WeakPolarHBondContact O-CG 3.27Å; D82-M86 PolarHBondContact O-N 3.26Å
83	I	90.4	Very high	84.4	Confident	12 Å²	12	93.5 Å²	93.5	6%	0.062	46%	0.458	C	S	.	.	H	α-helix	trans	-60.4	-45.2	177.4	-64.2	171.1	0	0	0	110.3	L60 L63 R64 I68 L78 E79 A81 T87	L60-I83 HydrophobicContact CD2-CG2 4.1Å; L63-I83 HydrophobicContact CB-CG2 4.07Å; R64-I83 HydrophobicContact CB-CD1 4.3Å; I68-I83 HydrophobicContact CD1-CB 4.05Å; I68-I83 HydrophobicContact CD1-CG1 3.84Å; I68-I83 HydrophobicContact CD1-CG2 4.06Å; L78-I83 HydrophobicContact CB-CG1 4.03Å; E79-I83 PolarHBondContact O-N 3.22Å; E79-I83 VanDerWaalsContact O-N 3.15Å; A81-I83 VanDerWaalsContact C-N 3.31Å; A81-I83 PolarHBondContact O-N 2.82Å; I83-T87 VanDerWaalsContact O-CB 3.31Å; I83-T87 WeakPolarHBondContact O-CB 3.13Å; I83-T87 PolarHBondContact O-N 3.32Å; I83-T87 PolarHBondContact O-OG1 3.04Å
84	L	94.6	Very high	85.1	Confident	86 Å²	86	86.8 Å²	86.8	45%	0.45	43%	0.431	S	S	.	.	H	α-helix	trans	-67.6	-43.2	179.6	-66.7	173.2	0	0	0	111.3	L60 K80 A81 D82 T87 V88	L60-L84 HydrophobicContact CD2-CD2 3.95Å; L60-L84 HydrophobicContact CD2-CG 4.26Å; K80-L84 VanDerWaalsContact O-CG 3.31Å; K80-L84 WeakPolarHBondContact O-CG 3.28Å; K80-L84 PolarHBondContact O-N 2.91Å; A81-L84 PolarHBondContact O-N 3.32Å; A81-L84 VanDerWaalsContact O-N 3.09Å; D82-L84 VanDerWaalsContact C-N 3.31Å; D82-L84 PolarHBondContact O-N 3.38Å; L84-T87 WeakPolarHBondContact O-CB 3.25Å; L84-T87 PolarHBondContact O-N 2.95Å; L84-V88 VanDerWaalsContact O-CG2 3.32Å; L84-V88 WeakPolarHBondContact O-CG2 3.46Å; L84-V88 PolarHBondContact O-N 3.44Å
85	D	92.6	Very high	86	Confident	108 Å²	108	81.7 Å²	81.7	58%	0.578	41%	0.413	S	S	*	.	H	α-helix	trans	-64.4	-44.1	178.8	-79.6	-17.9	0	0	0	112.1	A81 D82 T87 V88 K89	A81-D85 PolarHBondContact O-N 3.41Å; D82-D85 PolarHBondContact O-N 2.93Å; D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.12Å; D85-V88 PolarHBondContact O-N 2.72Å; D85-K89 WeakPolarHBondContact O-CB 3.33Å; D85-K89 PolarHBondContact O-N 3.22Å
86	M	90.4	Very high	86.6	Confident	72 Å²	72	85.6 Å²	85.6	36%	0.355	43%	0.433	S	S	.	.	H	α-helix	trans	-64.3	-35.3	175.3	-71.7	-64.9	157.9	0	0	112	I68 D82 F90	I68-M86 HydrophobicContact CD1-CB 4.22Å; I68-M86 HydrophobicContact CG1-CB 4.1Å; D82-M86 WeakPolarHBondContact O-CB 3.39Å; D82-M86 VanDerWaalsContact O-CG 3.31Å; D82-M86 WeakPolarHBondContact O-CG 3.27Å; D82-M86 PolarHBondContact O-N 3.26Å; M86-F90 WeakPolarHBondContact O-CB 3.11Å; M86-F90 PolarHBondContact O-N 3.39Å
87	T	92.4	Very high	86.5	Confident	12 Å²	12	83.6 Å²	83.6	7%	0.074	42%	0.422	C	S	.	.	H	α-helix	trans	-66	-47.3	174	-61.2	0	0	0	0	111.4	L63 I67 I83 L84 D85 F90 I91	L63-T87 HydrophobicContact CD1-CG2 4.4Å; L63-T87 HydrophobicContact CD2-CG2 3.92Å; I67-T87 HydrophobicContact CD1-CG2 3.55Å; I67-T87 WeakPolarHBondContact CD1-OG1 3.17Å; I83-T87 VanDerWaalsContact O-CB 3.31Å; I83-T87 WeakPolarHBondContact O-CB 3.13Å; I83-T87 PolarHBondContact O-N 3.32Å; I83-T87 PolarHBondContact O-OG1 3.04Å; L84-T87 WeakPolarHBondContact O-CB 3.25Å; L84-T87 PolarHBondContact O-N 2.95Å; D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.12Å; T87-F90 WeakPolarHBondContact O-CB 3.31Å; T87-F90 PolarHBondContact O-N 3.35Å; T87-I91 HydrophobicContact CG2-CD1 3.89Å; T87-I91 VanDerWaalsContact O-CG1 3.3Å; T87-I91 WeakPolarHBondContact O-CG1 3.5Å; T87-I91 PolarHBondContact O-N 2.97Å
88	V	92	Very high	85.5	Confident	67 Å²	67	78 Å²	78	41%	0.406	40%	0.398	S	S	.	.	H	α-helix	trans	-64.3	-42.9	177.7	171.4	0	0	0	0	110.6	L84 D85 F90 I91 K92	L84-V88 VanDerWaalsContact O-CG2 3.32Å; L84-V88 WeakPolarHBondContact O-CG2 3.46Å; L84-V88 PolarHBondContact O-N 3.44Å; D85-V88 PolarHBondContact O-N 2.72Å; V88-F90 VanDerWaalsContact C-N 3.33Å; V88-F90 PolarHBondContact O-N 2.76Å; V88-I91 PolarHBondContact O-N 2.78Å; V88-K92 HydrophobicContact CG1-CD 4.11Å; V88-K92 HydrophobicContact CG1-CG 4.42Å; V88-K92 WeakPolarHBondContact O-CB 3.31Å; V88-K92 WeakPolarHBondContact O-CG 3.43Å; V88-K92 PolarHBondContact O-N 2.83Å
89	K	90	Very high	84.2	Confident	120 Å²	120	82.2 Å²	82.2	52%	0.522	42%	0.416	S	S	.	.	H	α-helix	trans	-60	-44.8	174.7	-175.3	177.6	178.3	-178.8	0	110.9	D85 I91 K92 D93	D85-K89 WeakPolarHBondContact O-CB 3.33Å; D85-K89 PolarHBondContact O-N 3.22Å; K89-I91 PolarHBondContact O-N 2.85Å; K89-K92 PolarHBondContact O-N 2.87Å; K89-D93 WeakPolarHBondContact O-CB 3.19Å; K89-D93 PolarHBondContact O-N 2.92Å
90	F	89.3	Confident	82.7	Confident	59 Å²	59	79.1 Å²	79.1	26%	0.259	41%	0.41	S	S	.	.	H	α-helix	trans	-58.3	-48	174.7	177	-133.8	0	0	0	112.5	I67 R71 M86 T87 V88 K92 D93 L94	I67-F90 HydrophobicContact CB-CD1 4.47Å; I67-F90 HydrophobicContact CD1-CD1 3.88Å; I67-F90 HydrophobicContact CD1-CE1 4.5Å; I67-F90 HydrophobicContact CG1-CD1 3.81Å; I67-F90 HydrophobicContact CG1-CE1 4.13Å; I67-F90 HydrophobicContact CG2-CB 3.72Å; I67-F90 HydrophobicContact CG2-CD1 3.93Å; I67-F90 HydrophobicContact CG2-CG 3.96Å; R71-F90 VanDerWaalsContact NH2-CG 3.28Å; M86-F90 WeakPolarHBondContact O-CB 3.11Å; M86-F90 PolarHBondContact O-N 3.39Å; T87-F90 WeakPolarHBondContact O-CB 3.31Å; T87-F90 PolarHBondContact O-N 3.35Å; V88-F90 VanDerWaalsContact C-N 3.33Å; V88-F90 PolarHBondContact O-N 2.76Å; F90-K92 VanDerWaalsContact C-N 3.3Å; F90-K92 PolarHBondContact O-N 2.88Å; F90-D93 PolarHBondContact O-N 3Å; F90-L94 HydrophobicContact CD1-CD1 3.91Å; F90-L94 HydrophobicContact CD2-CD1 3.97Å; F90-L94 HydrophobicContact CD2-CD2 4.36Å; F90-L94 HydrophobicContact CD2-CG 3.8Å; F90-L94 HydrophobicContact CE1-CD1 3.52Å; F90-L94 HydrophobicContact CE1-CG 4.37Å; F90-L94 HydrophobicContact CE2-CD1 3.64Å; F90-L94 HydrophobicContact CE2-CD2 3.68Å; F90-L94 HydrophobicContact CE2-CG 3.56Å; F90-L94 HydrophobicContact CG-CD1 4.17Å; F90-L94 HydrophobicContact CG-CG 4.39Å; F90-L94 HydrophobicContact CZ-CD1 3.42Å; F90-L94 VanDerWaalsContact CZ-CD1 3.42Å; F90-L94 HydrophobicContact CZ-CD2 4.01Å; F90-L94 HydrophobicContact CZ-CG 3.89Å; F90-L94 WeakPolarHBondContact O-CB 3.4Å; F90-L94 VanDerWaalsContact O-CG 3.24Å; F90-L94 WeakPolarHBondContact O-CG 3.4Å; F90-L94 PolarHBondContact O-N 3.4Å
91	I	90.5	Very high	81	Confident	90 Å²	90	80.1 Å²	80.1	46%	0.462	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-40.7	179.5	-66.6	164.5	0	0	0	110.1	T87 V88 K89 L94 T95	T87-I91 HydrophobicContact CG2-CD1 3.89Å; T87-I91 VanDerWaalsContact O-CG1 3.3Å; T87-I91 WeakPolarHBondContact O-CG1 3.5Å; T87-I91 PolarHBondContact O-N 2.97Å; V88-I91 PolarHBondContact O-N 2.78Å; K89-I91 PolarHBondContact O-N 2.85Å; I91-L94 WeakPolarHBondContact O-CB 3.36Å; I91-L94 PolarHBondContact O-N 3.25Å; I91-T95 HydrophobicContact CG2-CG2 4.37Å; I91-T95 VanDerWaalsContact O-CG2 3.25Å; I91-T95 WeakPolarHBondContact O-CG2 3.22Å; I91-T95 PolarHBondContact O-N 3.38Å; I91-T95 PolarHBondContact O-OG1 3.4Å
92	K	88.4	Confident	79.3	Confident	124 Å²	124	85.4 Å²	85.4	54%	0.539	43%	0.434	S	S	.	.	H	α-helix	trans	-64.6	-43.9	175.2	-75.4	178.3	177.3	-178.6	0	112.5	V88 K89 F90 L94 T95 N96	V88-K92 HydrophobicContact CG1-CD 4.11Å; V88-K92 HydrophobicContact CG1-CG 4.42Å; V88-K92 WeakPolarHBondContact O-CB 3.31Å; V88-K92 WeakPolarHBondContact O-CG 3.43Å; V88-K92 PolarHBondContact O-N 2.83Å; K89-K92 PolarHBondContact O-N 2.87Å; F90-K92 VanDerWaalsContact C-N 3.3Å; F90-K92 PolarHBondContact O-N 2.88Å; K92-L94 VanDerWaalsContact C-N 3.32Å; K92-T95 VanDerWaalsContact CA-OG1 3.31Å; K92-T95 WeakPolarHBondContact CA-OG1 3.46Å; K92-T95 PolarHBondContact O-N 3.31Å; K92-T95 PolarHBondContact O-OG1 3.42Å; K92-N96 VanDerWaalsContact O-CB 3.25Å; K92-N96 WeakPolarHBondContact O-CB 3.24Å; K92-N96 PolarHBondContact O-N 3.49Å; K92-N96 PolarHBondContact O-ND2 2.89Å
93	D	85.2	Confident	77.3	Confident	66 Å²	66	83.7 Å²	83.7	35%	0.353	43%	0.427	S	S	.	.	H	α-helix	trans	-63.4	-43.5	176.7	-69.3	-15.3	0	0	0	109.4	K89 F90 N96 N97	K89-D93 WeakPolarHBondContact O-CB 3.19Å; K89-D93 PolarHBondContact O-N 2.92Å; F90-D93 PolarHBondContact O-N 3Å; D93-N96 PolarHBondContact O-N 3.5Å; D93-N97 VanDerWaalsContact O-CB 3.23Å; D93-N97 WeakPolarHBondContact O-CB 3.27Å; D93-N97 PolarHBondContact O-N 2.9Å; D93-N97 PolarHBondContact O-ND2 3.33Å
94	L	84.2	Confident	75.2	Confident	55 Å²	55	88 Å²	88	29%	0.288	45%	0.447	S	S	.	.	H	α-helix	trans	-56.6	-55.6	170.8	-73.1	175.1	0	0	0	110.2	F90 I91 K92 N96 N97 F98	F90-L94 HydrophobicContact CD1-CD1 3.91Å; F90-L94 HydrophobicContact CD2-CD1 3.97Å; F90-L94 HydrophobicContact CD2-CD2 4.36Å; F90-L94 HydrophobicContact CD2-CG 3.8Å; F90-L94 HydrophobicContact CE1-CD1 3.52Å; F90-L94 HydrophobicContact CE1-CG 4.37Å; F90-L94 HydrophobicContact CE2-CD1 3.64Å; F90-L94 HydrophobicContact CE2-CD2 3.68Å; F90-L94 HydrophobicContact CE2-CG 3.56Å; F90-L94 HydrophobicContact CG-CD1 4.17Å; F90-L94 HydrophobicContact CG-CG 4.39Å; F90-L94 HydrophobicContact CZ-CD1 3.42Å; F90-L94 VanDerWaalsContact CZ-CD1 3.42Å; F90-L94 HydrophobicContact CZ-CD2 4.01Å; F90-L94 HydrophobicContact CZ-CG 3.89Å; F90-L94 WeakPolarHBondContact O-CB 3.4Å; F90-L94 VanDerWaalsContact O-CG 3.24Å; F90-L94 WeakPolarHBondContact O-CG 3.4Å; F90-L94 PolarHBondContact O-N 3.4Å; I91-L94 WeakPolarHBondContact O-CB 3.36Å; I91-L94 PolarHBondContact O-N 3.25Å; K92-L94 VanDerWaalsContact C-N 3.32Å; L94-N96 VanDerWaalsContact C-N 3.32Å; L94-N96 PolarHBondContact O-N 2.95Å; L94-N97 PolarHBondContact O-N 2.93Å; L94-F98 HydrophobicContact CB-CD2 3.88Å; L94-F98 HydrophobicContact CB-CE2 3.59Å; L94-F98 HydrophobicContact CB-CZ 4.43Å; L94-F98 HydrophobicContact CD2-CE1 4.49Å; L94-F98 HydrophobicContact CD2-CE2 3.53Å; L94-F98 HydrophobicContact CD2-CZ 3.55Å; L94-F98 HydrophobicContact CG-CE2 4.05Å; L94-F98 WeakPolarHBondContact O-CB 3.48Å; L94-F98 WeakPolarHBondContact O-CD2 2.98Å; L94-F98 WeakPolarHBondContact O-CG 3.25Å; L94-F98 PolarHBondContact O-N 3.22Å
95	T	81.8	Confident	73	Confident	66 Å²	66	87.3 Å²	87.3	41%	0.405	45%	0.446	S	S	.	.	H	α-helix	trans	-61	-37.7	-177.3	57.2	0	0	0	0	113.2	I91 K92 Q99	I91-T95 HydrophobicContact CG2-CG2 4.37Å; I91-T95 VanDerWaalsContact O-CG2 3.25Å; I91-T95 WeakPolarHBondContact O-CG2 3.22Å; I91-T95 PolarHBondContact O-N 3.38Å; I91-T95 PolarHBondContact O-OG1 3.4Å; K92-T95 VanDerWaalsContact CA-OG1 3.31Å; K92-T95 WeakPolarHBondContact CA-OG1 3.46Å; K92-T95 PolarHBondContact O-N 3.31Å; K92-T95 PolarHBondContact O-OG1 3.42Å; T95-Q99 WeakPolarHBondContact O-CB 3.22Å; T95-Q99 WeakPolarHBondContact O-CG 3.17Å; T95-Q99 PolarHBondContact O-N 2.74Å
96	N	78.1	Confident	71.1	Confident	90 Å²	90	87.1 Å²	87.1	48%	0.481	44%	0.444	S	S	.	.	H	α-helix	trans	-76.5	-44.1	-178.5	-67.2	-15.5	0	0	0	112.1	K92 D93 L94 F98 Q99 S100	K92-N96 VanDerWaalsContact O-CB 3.25Å; K92-N96 WeakPolarHBondContact O-CB 3.24Å; K92-N96 PolarHBondContact O-N 3.49Å; K92-N96 PolarHBondContact O-ND2 2.89Å; D93-N96 PolarHBondContact O-N 3.5Å; L94-N96 VanDerWaalsContact C-N 3.32Å; L94-N96 PolarHBondContact O-N 2.95Å; N96-F98 PolarHBondContact O-N 3.25Å; N96-Q99 PolarHBondContact O-N 3.47Å; N96-S100 PolarHBondContact O-N 2.94Å; N96-S100 PolarHBondContact O-OG 3.47Å
97	N	63.5	Low	69.4	Low	105 Å²	105	90.5 Å²	90.5	56%	0.561	46%	0.457	S	S	*	.	H	α-helix	trans	-68.1	-24.4	173.5	-72.6	-79.6	0	0	0	111.2	D93 L94	D93-N97 VanDerWaalsContact O-CB 3.23Å; D93-N97 WeakPolarHBondContact O-CB 3.27Å; D93-N97 PolarHBondContact O-N 2.9Å; D93-N97 PolarHBondContact O-ND2 3.33Å; L94-N97 PolarHBondContact O-N 2.93Å
98	F	55.1	Low	67.5	Low	81 Å²	81	93.7 Å²	93.7	36%	0.355	47%	0.471	S	S	.	.	I	π-helix	trans	-82.3	-21.1	173.7	-63.2	-28.1	0	0	0	113.7	L94 N96 C103 Q104	L94-F98 HydrophobicContact CB-CD2 3.88Å; L94-F98 HydrophobicContact CB-CE2 3.59Å; L94-F98 HydrophobicContact CB-CZ 4.43Å; L94-F98 HydrophobicContact CD2-CE1 4.49Å; L94-F98 HydrophobicContact CD2-CE2 3.53Å; L94-F98 HydrophobicContact CD2-CZ 3.55Å; L94-F98 HydrophobicContact CG-CE2 4.05Å; L94-F98 WeakPolarHBondContact O-CB 3.48Å; L94-F98 WeakPolarHBondContact O-CD2 2.98Å; L94-F98 WeakPolarHBondContact O-CG 3.25Å; L94-F98 PolarHBondContact O-N 3.22Å; N96-F98 PolarHBondContact O-N 3.25Å; F98-C103 HydrophobicContact CB-CB 4.17Å; F98-C103 HydrophobicContact CD1-CB 3.1Å; F98-C103 WeakPolarHBondContact CD1-SG 3.43Å; F98-C103 HydrophobicContact CE1-CB 3.38Å; F98-C103 WeakPolarHBondContact CE1-SG 3.2Å; F98-C103 HydrophobicContact CG-CB 3.72Å; F98-C103 WeakPolarHBondContact CG-SG 3.49Å; F98-C103 HydrophobicContact CZ-CB 4.26Å; F98-C103 WeakPolarHBondContact CZ-SG 3.44Å; F98-Q104 PolarHBondContact O-N 3.15Å
99	Q	53.9	Low	65.7	Low	138 Å²	138	94 Å²	94	65%	0.645	47%	0.468	S	S	*	.	I	π-helix	trans	-84.5	-16.3	171.9	-86.9	-175.7	-6.2	0	0	114.2	T95 N96	T95-Q99 WeakPolarHBondContact O-CB 3.22Å; T95-Q99 WeakPolarHBondContact O-CG 3.17Å; T95-Q99 PolarHBondContact O-N 2.74Å; N96-Q99 PolarHBondContact O-N 3.47Å
100	S	53.1	Low	64.2	Low	73 Å²	73	90.7 Å²	90.7	51%	0.51	46%	0.46	S	S	.	.	I	π-helix	trans	-111.7	58.5	-178.2	48.1	0	0	0	0	112.3	N96	N96-S100 PolarHBondContact O-N 2.94Å; N96-S100 PolarHBondContact O-OG 3.47Å
101	D	54	Low	63	Low	143 Å²	143	92.8 Å²	92.8	77%	0.765	47%	0.47	S	S	*	.	I	π-helix	trans	109.6	-5.8	158	-51.9	-36	0	0	0	119.5
102	K	54.1	Low	61.7	Low	165 Å²	165	92.8 Å²	92.8	72%	0.717	47%	0.468	S	S	*	.	I	π-helix	trans	-141.5	-7.3	-172.3	-67.8	-172.2	-177.7	175.5	0	121.3	T105	K102-T105 PolarHBondContact O-OG1 3.04Å
103	C	49.3	Very low	60.7	Low	26 Å²	26	89.6 Å²	89.6	18%	0.176	46%	0.459	C	S	.	.	S	Bend	trans	-142.2	-1.6	175.7	151.6	0	0	0	0	117.7	F98 T105 I106 F107	F98-C103 HydrophobicContact CB-CB 4.17Å; F98-C103 HydrophobicContact CD1-CB 3.1Å; F98-C103 WeakPolarHBondContact CD1-SG 3.43Å; F98-C103 HydrophobicContact CE1-CB 3.38Å; F98-C103 WeakPolarHBondContact CE1-SG 3.2Å; F98-C103 HydrophobicContact CG-CB 3.72Å; F98-C103 WeakPolarHBondContact CG-SG 3.49Å; F98-C103 HydrophobicContact CZ-CB 4.26Å; F98-C103 WeakPolarHBondContact CZ-SG 3.44Å; C103-T105 PolarHBondContact O-N 3.23Å; C103-I106 HydrophobicContact CB-CB 4.26Å; C103-I106 HydrophobicContact CB-CD1 4.06Å; C103-I106 HydrophobicContact CB-CG1 4.19Å; C103-I106 PolarHBondContact O-N 2.71Å; C103-F107 PolarHBondContact O-N 3.46Å
104	Q	47.6	Very low	60.2	Low	103 Å²	103	90 Å²	90	48%	0.481	46%	0.461	S	S	.	.	H	α-helix	trans	-58	-34.7	142	-122.9	178.7	15	0	0	111.2	F98 Q108	F98-Q104 PolarHBondContact O-N 3.15Å; Q104-Q108 WeakPolarHBondContact O-CA 3.31Å; Q104-Q108 WeakPolarHBondContact O-CB 3.46Å; Q104-Q108 WeakPolarHBondContact O-CG 3.33Å; Q104-Q108 PolarHBondContact O-N 2.87Å
105	T	47.7	Very low	59.8	Low	70 Å²	70	91.6 Å²	91.6	43%	0.429	47%	0.47	S	S	.	.	H	α-helix	trans	-60.3	-50.4	171	54.6	0	0	0	0	110.4	K102 C103 F107 Q108 E109	K102-T105 PolarHBondContact O-OG1 3.04Å; C103-T105 PolarHBondContact O-N 3.23Å; T105-F107 PolarHBondContact O-N 3.18Å; T105-Q108 CarbonylContact O-C 3.58Å; T105-Q108 PolarHBondContact O-N 3.17Å; T105-E109 VanDerWaalsContact O-CA 3.25Å; T105-E109 WeakPolarHBondContact O-CA 3.46Å; T105-E109 WeakPolarHBondContact O-CB 3.43Å; T105-E109 PolarHBondContact O-N 2.93Å
106	I	52.5	Low	59.7	Low	104 Å²	104	90.6 Å²	90.6	53%	0.533	46%	0.464	S	S	.	.	H	α-helix	trans	-64	-38.7	-179	-56.3	177.5	0	0	0	113.1	C103 S110	C103-I106 HydrophobicContact CB-CB 4.26Å; C103-I106 HydrophobicContact CB-CD1 4.06Å; C103-I106 HydrophobicContact CB-CG1 4.19Å; C103-I106 PolarHBondContact O-N 2.71Å; I106-S110 VanDerWaalsContact O-CB 3.28Å; I106-S110 WeakPolarHBondContact O-CB 3.41Å; I106-S110 PolarHBondContact O-N 2.74Å; I106-S110 PolarHBondContact O-OG 3.49Å
107	F	54.2	Low	59.7	Low	143 Å²	143	91.7 Å²	91.7	63%	0.627	46%	0.461	S	S	*	.	H	α-helix	trans	-77.5	-38.3	177.7	-172.1	-98.8	0	0	0	113	C103 T105 E109 S110 Q111	C103-F107 PolarHBondContact O-N 3.46Å; T105-F107 PolarHBondContact O-N 3.18Å; F107-E109 VanDerWaalsContact C-N 3.29Å; F107-S110 WeakPolarHBondContact CA-OG 3.37Å; F107-S110 PolarHBondContact O-OG 3.46Å; F107-Q111 WeakPolarHBondContact O-CB 3.26Å; F107-Q111 PolarHBondContact O-N 3.27Å
108	Q	53.1	Low	60.4	Low	80 Å²	80	93.3 Å²	93.3	37%	0.374	47%	0.467	S	S	.	.	H	α-helix	trans	-70.6	-29.7	171.1	-68.5	174.9	13.4	0	0	110.9	Q104 T105 Q112	Q104-Q108 WeakPolarHBondContact O-CA 3.31Å; Q104-Q108 WeakPolarHBondContact O-CB 3.46Å; Q104-Q108 WeakPolarHBondContact O-CG 3.33Å; Q104-Q108 PolarHBondContact O-N 2.87Å; T105-Q108 CarbonylContact O-C 3.58Å; T105-Q108 PolarHBondContact O-N 3.17Å; Q108-Q112 WeakPolarHBondContact O-CA 3.47Å; Q108-Q112 WeakPolarHBondContact O-CB 3.02Å; Q108-Q112 WeakPolarHBondContact O-CG 3.1Å; Q108-Q112 PolarHBondContact O-N 3.27Å; Q108-Q112 PolarHBondContact O-NE2 3.25Å
109	E	54.2	Low	61.8	Low	74 Å²	74	95.6 Å²	95.6	35%	0.346	48%	0.477	S	S	.	.	H	α-helix	trans	-77	-40.7	177.9	-176.1	169.9	-157	0	0	109.6	T105 F107 Q112 V113	T105-E109 VanDerWaalsContact O-CA 3.25Å; T105-E109 WeakPolarHBondContact O-CA 3.46Å; T105-E109 WeakPolarHBondContact O-CB 3.43Å; T105-E109 PolarHBondContact O-N 2.93Å; F107-E109 VanDerWaalsContact C-N 3.29Å; E109-Q112 CarbonylContact O-C 3.58Å; E109-Q112 PolarHBondContact O-N 3.4Å; E109-V113 HydrophobicContact CG-CG2 4.46Å; E109-V113 VanDerWaalsContact O-CB 3.25Å; E109-V113 WeakPolarHBondContact O-CB 3.37Å; E109-V113 WeakPolarHBondContact O-CG2 3.25Å; E109-V113 PolarHBondContact O-N 3.37Å
110	S	58.2	Low	63.1	Low	49 Å²	49	91.2 Å²	91.2	34%	0.343	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-46.4	169.5	67.7	0	0	0	0	110.5	I106 F107 Q112 V113 D114	I106-S110 VanDerWaalsContact O-CB 3.28Å; I106-S110 WeakPolarHBondContact O-CB 3.41Å; I106-S110 PolarHBondContact O-N 2.74Å; I106-S110 PolarHBondContact O-OG 3.49Å; F107-S110 WeakPolarHBondContact CA-OG 3.37Å; F107-S110 PolarHBondContact O-OG 3.46Å; S110-Q112 VanDerWaalsContact C-N 3.34Å; S110-Q112 PolarHBondContact O-N 2.88Å; S110-V113 PolarHBondContact O-N 2.81Å; S110-D114 WeakPolarHBondContact O-CB 3.33Å; S110-D114 PolarHBondContact O-N 3.19Å
111	Q	63.7	Low	64.5	Low	103 Å²	103	92.8 Å²	92.8	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-62.6	-40.1	175.6	-170.1	-178.5	56.7	0	0	111.6	F107 D114 N115	F107-Q111 WeakPolarHBondContact O-CB 3.26Å; F107-Q111 PolarHBondContact O-N 3.27Å; Q111-D114 PolarHBondContact O-N 2.91Å; Q111-N115 WeakPolarHBondContact O-CB 3.46Å; Q111-N115 PolarHBondContact O-N 2.84Å; Q111-N115 PolarHBondContact O-ND2 2.98Å; Q111-N115 PolarHBondContact O-OD1 2.88Å
112	Q	64.2	Low	66.1	Low	91 Å²	91	88 Å²	88	43%	0.425	43%	0.434	S	S	.	.	H	α-helix	trans	-71	-34.6	176.1	-77.9	174.9	53.3	0	0	112.1	Q108 E109 S110 D114 N115 V116	Q108-Q112 WeakPolarHBondContact O-CA 3.47Å; Q108-Q112 WeakPolarHBondContact O-CB 3.02Å; Q108-Q112 WeakPolarHBondContact O-CG 3.1Å; Q108-Q112 PolarHBondContact O-N 3.27Å; Q108-Q112 PolarHBondContact O-NE2 3.25Å; E109-Q112 CarbonylContact O-C 3.58Å; E109-Q112 PolarHBondContact O-N 3.4Å; S110-Q112 VanDerWaalsContact C-N 3.34Å; S110-Q112 PolarHBondContact O-N 2.88Å; Q112-D114 VanDerWaalsContact C-N 3.33Å; Q112-N115 PolarHBondContact O-N 3.36Å; Q112-V116 WeakPolarHBondContact O-CB 3.38Å; Q112-V116 WeakPolarHBondContact O-CG2 3.49Å; Q112-V116 PolarHBondContact O-N 2.71Å
113	V	67.8	Low	67.6	Low	57 Å²	57	82.6 Å²	82.6	35%	0.345	41%	0.41	S	S	.	.	H	α-helix	trans	-66.9	-41.1	173.8	168	0	0	0	0	109.1	E109 S110 V116 R117	E109-V113 HydrophobicContact CG-CG2 4.46Å; E109-V113 VanDerWaalsContact O-CB 3.25Å; E109-V113 WeakPolarHBondContact O-CB 3.37Å; E109-V113 WeakPolarHBondContact O-CG2 3.25Å; E109-V113 PolarHBondContact O-N 3.37Å; S110-V113 PolarHBondContact O-N 2.81Å; V113-V116 PolarHBondContact O-N 3.45Å; V113-R117 WeakPolarHBondContact O-CB 3.47Å; V113-R117 PolarHBondContact O-N 2.82Å
114	D	74.8	Confident	69.2	Low	73 Å²	73	84.1 Å²	84.1	39%	0.39	42%	0.416	S	S	.	.	H	α-helix	trans	-65.5	-40.7	174.3	-67.4	-25.9	0	0	0	111.3	S110 Q111 Q112 R117 M118	S110-D114 WeakPolarHBondContact O-CB 3.33Å; S110-D114 PolarHBondContact O-N 3.19Å; Q111-D114 PolarHBondContact O-N 2.91Å; Q112-D114 VanDerWaalsContact C-N 3.33Å; D114-R117 PolarHBondContact O-N 2.89Å; D114-R117 IonicContact OD1-CZ 2.64Å; D114-R117 IonicContact OD1-NH1 3.17Å; D114-R117 PolarHBondContact OD1-NH1 2.93Å; D114-R117 IonicContact OD1-NH2 3.54Å; D114-M118 WeakPolarHBondContact O-CB 3.35Å; D114-M118 PolarHBondContact O-N 3.36Å
115	N	76.1	Confident	70.9	Confident	89 Å²	89	83.1 Å²	83.1	48%	0.476	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-44.3	174.6	-68	-17.5	0	0	0	111.8	Q111 Q112 M118 F119	Q111-N115 WeakPolarHBondContact O-CB 3.46Å; Q111-N115 PolarHBondContact O-N 2.84Å; Q111-N115 PolarHBondContact O-ND2 2.98Å; Q111-N115 PolarHBondContact O-OD1 2.88Å; Q112-N115 PolarHBondContact O-N 3.36Å; N115-M118 PolarHBondContact O-N 3.32Å; N115-F119 VanDerWaalsContact O-CB 3.31Å; N115-F119 WeakPolarHBondContact O-CB 3.2Å; N115-F119 PolarHBondContact O-N 3.48Å
116	V	78.5	Confident	72.8	Confident	46 Å²	46	83.3 Å²	83.3	28%	0.279	42%	0.424	S	S	.	.	H	α-helix	trans	-64.3	-42.2	175.9	168.2	0	0	0	0	110.5	Q112 V113 F119 Y120 I179	Q112-V116 WeakPolarHBondContact O-CB 3.38Å; Q112-V116 WeakPolarHBondContact O-CG2 3.49Å; Q112-V116 PolarHBondContact O-N 2.71Å; V113-V116 PolarHBondContact O-N 3.45Å; V116-F119 PolarHBondContact O-N 3.32Å; V116-Y120 WeakPolarHBondContact O-CB 3.07Å; V116-Y120 PolarHBondContact O-N 3.49Å; V116-I179 HydrophobicContact CG1-CG2 3.66Å; V116-I179 HydrophobicContact CG2-CG2 4.24Å
117	R	77.7	Confident	74.1	Confident	112 Å²	112	79 Å²	79	42%	0.423	40%	0.401	S	S	.	.	H	α-helix	trans	-64	-43.7	176.2	-164.4	-169.4	-59.6	124.2	4.8	110.8	V113 D114 Y120 Y121	V113-R117 WeakPolarHBondContact O-CB 3.47Å; V113-R117 PolarHBondContact O-N 2.82Å; D114-R117 PolarHBondContact O-N 2.89Å; D114-R117 IonicContact OD1-CZ 2.64Å; D114-R117 IonicContact OD1-NH1 3.17Å; D114-R117 PolarHBondContact OD1-NH1 2.93Å; D114-R117 IonicContact OD1-NH2 3.54Å; R117-Y120 WeakPolarHBondContact O-CB 3.47Å; R117-Y120 PolarHBondContact O-N 3.23Å; R117-Y121 HydrophobicContact CG-CD2 4Å; R117-Y121 HydrophobicContact CG-CE2 3.59Å; R117-Y121 WeakPolarHBondContact O-CD2 3.15Å; R117-Y121 PolarHBondContact O-N 3.41Å
118	M	78.4	Confident	75.4	Confident	139 Å²	139	76.2 Å²	76.2	69%	0.685	40%	0.396	S	S	*	.	H	α-helix	trans	-66	-41.3	178.1	-172.2	167.9	-71.6	0	0	111.7	D114 N115 Y121 G122	D114-M118 WeakPolarHBondContact O-CB 3.35Å; D114-M118 PolarHBondContact O-N 3.36Å; N115-M118 PolarHBondContact O-N 3.32Å; M118-Y121 PolarHBondContact O-N 2.99Å; M118-G122 PolarHBondContact O-N 3.27Å
119	F	84.9	Confident	77	Confident	129 Å²	129	74.8 Å²	74.8	57%	0.566	40%	0.398	S	S	*	.	H	α-helix	trans	-60.1	-45.7	171.1	178.4	-93.7	0	0	0	111.3	N115 V116 Y121 G122 Y123 I179	N115-F119 VanDerWaalsContact O-CB 3.31Å; N115-F119 WeakPolarHBondContact O-CB 3.2Å; N115-F119 PolarHBondContact O-N 3.48Å; V116-F119 PolarHBondContact O-N 3.32Å; F119-Y121 PolarHBondContact O-N 3.44Å; F119-G122 PolarHBondContact O-N 2.86Å; F119-Y123 WeakPolarHBondContact O-CB 3.14Å; F119-Y123 PolarHBondContact O-N 2.97Å; F119-I179 HydrophobicContact CE1-CD1 4.25Å
120	Y	81.6	Confident	78.5	Confident	46 Å²	46	76.4 Å²	76.4	18%	0.18	40%	0.404	C	S	.	.	H	α-helix	trans	-61.6	-40.6	177.1	-179.3	-108.1	0	0	0	112.5	V116 R117 Y123 L124 M176	V116-Y120 WeakPolarHBondContact O-CB 3.07Å; V116-Y120 PolarHBondContact O-N 3.49Å; R117-Y120 WeakPolarHBondContact O-CB 3.47Å; R117-Y120 PolarHBondContact O-N 3.23Å; Y120-Y123 WeakPolarHBondContact O-CB 3.25Å; Y120-Y123 PolarHBondContact O-N 3.12Å; Y120-L124 WeakPolarHBondContact O-CB 3.35Å; Y120-L124 PolarHBondContact O-N 3.33Å; Y120-M176 HydrophobicContact CD2-CE 3.79Å; Y120-M176 HydrophobicContact CD2-SD 3.43Å; Y120-M176 WeakPolarHBondContact CD2-SD 3.46Å; Y120-M176 HydrophobicContact CE2-CE 3.85Å; Y120-M176 HydrophobicContact CE2-CG 4.34Å; Y120-M176 HydrophobicContact CE2-SD 3.64Å; Y120-M176 HydrophobicContact CG-CE 4.46Å; Y120-M176 HydrophobicContact CG-SD 4.47Å
121	Y	82.4	Confident	79.5	Confident	107 Å²	107	78.5 Å²	78.5	42%	0.42	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-43.2	172.9	-79.2	-58.6	0	0	0	112.4	R117 M118 F119 Y123 L124 S125	R117-Y121 HydrophobicContact CG-CD2 4Å; R117-Y121 HydrophobicContact CG-CE2 3.59Å; R117-Y121 WeakPolarHBondContact O-CD2 3.15Å; R117-Y121 PolarHBondContact O-N 3.41Å; M118-Y121 PolarHBondContact O-N 2.99Å; F119-Y121 PolarHBondContact O-N 3.44Å; Y121-Y123 VanDerWaalsContact C-N 3.32Å; Y121-Y123 PolarHBondContact O-N 3.4Å; Y121-L124 PolarHBondContact O-N 3.38Å; Y121-S125 WeakPolarHBondContact O-CB 3.2Å; Y121-S125 PolarHBondContact O-N 3.25Å
122	G	87.5	Confident	80.3	Confident	41 Å²	41	77.3 Å²	77.3	42%	0.423	41%	0.41	S	S	.	.	H	α-helix	trans	-58.5	-45.3	173.7	0	0	0	0	0	111.7	M118 F119 S125 C126	M118-G122 PolarHBondContact O-N 3.27Å; F119-G122 PolarHBondContact O-N 2.86Å; G122-S125 WeakPolarHBondContact O-CB 3.17Å; G122-S125 PolarHBondContact O-N 3.47Å; G122-C126 PolarHBondContact O-N 2.88Å; G122-C126 PolarHBondContact O-SG 3.21Å
123	Y	84.7	Confident	81.3	Confident	52 Å²	52	78.5 Å²	78.5	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-59.9	-46.7	175.3	-179.9	-90.9	0	0	0	112.6	F119 Y120 Y121 S125 C126 E127 W168 K172	F119-Y123 WeakPolarHBondContact O-CB 3.14Å; F119-Y123 PolarHBondContact O-N 2.97Å; Y120-Y123 WeakPolarHBondContact O-CB 3.25Å; Y120-Y123 PolarHBondContact O-N 3.12Å; Y121-Y123 VanDerWaalsContact C-N 3.32Å; Y121-Y123 PolarHBondContact O-N 3.4Å; Y123-S125 VanDerWaalsContact C-N 3.31Å; Y123-S125 PolarHBondContact O-N 3.24Å; Y123-C126 VanDerWaalsContact C-SG 3.56Å; Y123-C126 WeakPolarHBondContact CA-SG 3.15Å; Y123-C126 PolarHBondContact O-N 2.62Å; Y123-C126 PolarHBondContact O-SG 2.85Å; Y123-E127 WeakPolarHBondContact O-CB 3.26Å; Y123-E127 PolarHBondContact O-N 3.46Å; Y123-W168 AromaticContact CZ-NE1 3.81Å; Y123-W168 PolarHBondContact OH-NE1 3.46Å; Y123-K172 HydrophobicContact CE1-CD 4.28Å; Y123-K172 HydrophobicContact CE1-CG 4.19Å
124	L	83.4	Confident	82	Confident	59 Å²	59	78 Å²	78	31%	0.309	41%	0.413	S	S	.	.	H	α-helix	trans	-66.9	-34.6	178.9	-170.1	66.2	0	0	0	112.2	Y120 Y121 E127 T128	Y120-L124 WeakPolarHBondContact O-CB 3.35Å; Y120-L124 PolarHBondContact O-N 3.33Å; Y121-L124 PolarHBondContact O-N 3.38Å; L124-E127 HydrophobicContact CD1-CG 4.36Å; L124-E127 WeakPolarHBondContact CD1-OE2 3.3Å; L124-E127 WeakPolarHBondContact O-CB 3.2Å; L124-E127 PolarHBondContact O-N 3.37Å; L124-T128 PolarHBondContact O-N 3.02Å; L124-T128 PolarHBondContact O-OG1 3.33Å
125	S	82.9	Confident	82.1	Confident	82 Å²	82	78.2 Å²	78.2	57%	0.573	41%	0.412	S	S	*	.	H	α-helix	trans	-64.5	-49.3	175.4	-176.2	0	0	0	0	111.1	Y121 G122 Y123 E127 T128 A129	Y121-S125 WeakPolarHBondContact O-CB 3.2Å; Y121-S125 PolarHBondContact O-N 3.25Å; G122-S125 WeakPolarHBondContact O-CB 3.17Å; G122-S125 PolarHBondContact O-N 3.47Å; Y123-S125 VanDerWaalsContact C-N 3.31Å; Y123-S125 PolarHBondContact O-N 3.24Å; S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 3.45Å; S125-T128 PolarHBondContact O-N 2.82Å; S125-A129 PolarHBondContact O-N 3.43Å
126	C	88.5	Confident	82.4	Confident	73 Å²	73	80.2 Å²	80.2	49%	0.493	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-32.3	174.7	59.6	0	0	0	0	112.2	G122 Y123 T128 A129 F130	G122-C126 PolarHBondContact O-N 2.88Å; G122-C126 PolarHBondContact O-SG 3.21Å; Y123-C126 VanDerWaalsContact C-SG 3.56Å; Y123-C126 WeakPolarHBondContact CA-SG 3.15Å; Y123-C126 PolarHBondContact O-N 2.62Å; Y123-C126 PolarHBondContact O-SG 2.85Å; C126-T128 PolarHBondContact O-N 3.42Å; C126-A129 PolarHBondContact O-N 2.81Å; C126-F130 WeakPolarHBondContact O-CB 3.5Å; C126-F130 PolarHBondContact O-N 2.7Å
127	E	80.2	Confident	82.4	Confident	13 Å²	13	83.3 Å²	83.3	6%	0.061	43%	0.428	C	S	.	.	H	α-helix	trans	-59	-48.7	173.9	150.3	158	-153.7	0	0	111.7	Y123 L124 S125 F130 K131 W168 K172	Y123-E127 WeakPolarHBondContact O-CB 3.26Å; Y123-E127 PolarHBondContact O-N 3.46Å; L124-E127 HydrophobicContact CD1-CG 4.36Å; L124-E127 WeakPolarHBondContact CD1-OE2 3.3Å; L124-E127 WeakPolarHBondContact O-CB 3.2Å; L124-E127 PolarHBondContact O-N 3.37Å; S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 3.45Å; E127-F130 PolarHBondContact O-N 3.25Å; E127-K131 HydrophobicContact CG-CD 4.37Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 IonicContact OE1-NZ 2.71Å; E127-K131 PolarHBondContact OE1-NZ 3.49Å; E127-W168 HydrophobicContact CB-CH2 3.09Å; E127-W168 HydrophobicContact CB-CZ2 3.43Å; E127-W168 VanDerWaalsContact CB-CZ2 3.43Å; E127-W168 HydrophobicContact CB-CZ3 4.01Å; E127-W168 HydrophobicContact CG-CE3 4.48Å; E127-W168 HydrophobicContact CG-CH2 3.03Å; E127-W168 HydrophobicContact CG-CZ2 3.78Å; E127-W168 HydrophobicContact CG-CZ3 3.4Å; E127-W168 WeakPolarHBondContact OE1-CZ3 3.32Å; E127-K172 IonicContact OE2-NZ 2.84Å; E127-K172 PolarHBondContact OE2-NZ 3.15Å
128	T	80.8	Confident	82.2	Confident	86 Å²	86	78.6 Å²	78.6	53%	0.528	41%	0.411	S	S	.	.	H	α-helix	trans	-66.4	-42.3	-179	-55.4	0	0	0	0	111	L124 S125 C126 F130 K131 S132	L124-T128 PolarHBondContact O-N 3.02Å; L124-T128 PolarHBondContact O-OG1 3.33Å; S125-T128 PolarHBondContact O-N 2.82Å; C126-T128 PolarHBondContact O-N 3.42Å; T128-F130 PolarHBondContact O-N 2.8Å; T128-K131 PolarHBondContact O-N 2.9Å; T128-S132 WeakPolarHBondContact O-CB 3.25Å; T128-S132 PolarHBondContact O-N 2.98Å
129	A	86.6	Confident	82.1	Confident	50 Å²	50	76 Å²	76	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-61.1	-44.7	176.2	0	0	0	0	0	111.6	S125 C126 S132 I133	S125-A129 PolarHBondContact O-N 3.43Å; C126-A129 PolarHBondContact O-N 2.81Å; A129-S132 WeakPolarHBondContact O-CB 3.38Å; A129-S132 PolarHBondContact O-N 2.72Å; A129-I133 VanDerWaalsContact O-CG1 3.31Å; A129-I133 WeakPolarHBondContact O-CG1 3.28Å; A129-I133 PolarHBondContact O-N 3.42Å
130	F	84.7	Confident	81.6	Confident	108 Å²	108	73.5 Å²	73.5	47%	0.474	39%	0.389	S	S	.	.	H	α-helix	trans	-61.3	-47.6	177	-179.2	-105.7	0	0	0	112.1	C126 E127 T128 S132 I133 I134	C126-F130 WeakPolarHBondContact O-CB 3.5Å; C126-F130 PolarHBondContact O-N 2.7Å; E127-F130 PolarHBondContact O-N 3.25Å; T128-F130 PolarHBondContact O-N 2.8Å; F130-S132 VanDerWaalsContact C-N 3.29Å; F130-S132 PolarHBondContact O-N 3.4Å; F130-I133 PolarHBondContact O-N 2.76Å; F130-I134 HydrophobicContact CD1-CD1 3.83Å; F130-I134 HydrophobicContact CD2-CD1 4.36Å; F130-I134 HydrophobicContact CE1-CD1 3.25Å; F130-I134 HydrophobicContact CE1-CG1 4.42Å; F130-I134 HydrophobicContact CE2-CD1 3.85Å; F130-I134 HydrophobicContact CE2-CG1 4.45Å; F130-I134 HydrophobicContact CG-CD1 4.37Å; F130-I134 HydrophobicContact CZ-CD1 3.28Å; F130-I134 HydrophobicContact CZ-CG1 4.33Å; F130-I134 WeakPolarHBondContact O-CG1 3.25Å; F130-I134 PolarHBondContact O-N 2.77Å
131	K	79.8	Confident	81	Confident	93 Å²	93	75.3 Å²	75.3	40%	0.404	40%	0.4	S	S	.	.	H	α-helix	trans	-57	-43.2	174.2	-79.9	174.5	162	155.5	0	111.7	E127 T128 I134 Q135 W168	E127-K131 HydrophobicContact CG-CD 4.37Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 IonicContact OE1-NZ 2.71Å; E127-K131 PolarHBondContact OE1-NZ 3.49Å; T128-K131 PolarHBondContact O-N 2.9Å; K131-I134 PolarHBondContact O-N 3.33Å; K131-Q135 WeakPolarHBondContact O-CB 2.79Å; K131-Q135 PolarHBondContact O-N 3.08Å; K131-W168 HydrophobicContact CD-CZ3 4.22Å; K131-W168 HydrophobicContact CG-CZ3 4.28Å
132	S	79.9	Confident	80.3	Confident	78 Å²	78	73.9 Å²	73.9	55%	0.545	40%	0.396	S	S	.	.	H	α-helix	trans	-63.9	-42.5	178.3	-179.5	0	0	0	0	112.6	T128 A129 F130 Q135 K136	T128-S132 WeakPolarHBondContact O-CB 3.25Å; T128-S132 PolarHBondContact O-N 2.98Å; A129-S132 WeakPolarHBondContact O-CB 3.38Å; A129-S132 PolarHBondContact O-N 2.72Å; F130-S132 VanDerWaalsContact C-N 3.29Å; F130-S132 PolarHBondContact O-N 3.4Å; S132-Q135 PolarHBondContact O-N 2.87Å; S132-K136 VanDerWaalsContact O-CB 3.31Å; S132-K136 WeakPolarHBondContact O-CB 3.11Å; S132-K136 PolarHBondContact O-N 3.22Å
133	I	86.5	Confident	79.1	Confident	115 Å²	115	81.6 Å²	81.6	59%	0.59	41%	0.413	S	S	*	.	H	α-helix	trans	-63.7	-45.5	178	-68.4	163.6	0	0	0	110.9	A129 F130 K136 H137	A129-I133 VanDerWaalsContact O-CG1 3.31Å; A129-I133 WeakPolarHBondContact O-CG1 3.28Å; A129-I133 PolarHBondContact O-N 3.42Å; F130-I133 PolarHBondContact O-N 2.76Å; I133-K136 PolarHBondContact O-N 3.23Å; I133-H137 PolarHBondContact O-N 3.34Å
134	I	81.9	Confident	78	Confident	47 Å²	47	83.8 Å²	83.8	24%	0.241	43%	0.432	C	S	.	.	H	α-helix	trans	-65.2	-45.3	178.6	-71.6	-177.8	0	0	0	111.3	F130 K131 K136 H137 L138 L161	F130-I134 HydrophobicContact CD1-CD1 3.83Å; F130-I134 HydrophobicContact CD2-CD1 4.36Å; F130-I134 HydrophobicContact CE1-CD1 3.25Å; F130-I134 HydrophobicContact CE1-CG1 4.42Å; F130-I134 HydrophobicContact CE2-CD1 3.85Å; F130-I134 HydrophobicContact CE2-CG1 4.45Å; F130-I134 HydrophobicContact CG-CD1 4.37Å; F130-I134 HydrophobicContact CZ-CD1 3.28Å; F130-I134 HydrophobicContact CZ-CG1 4.33Å; F130-I134 WeakPolarHBondContact O-CG1 3.25Å; F130-I134 PolarHBondContact O-N 2.77Å; K131-I134 PolarHBondContact O-N 3.33Å; I134-K136 VanDerWaalsContact C-N 3.32Å; I134-K136 PolarHBondContact O-N 2.78Å; I134-H137 PolarHBondContact O-N 3.08Å; I134-L138 WeakPolarHBondContact O-CB 3.07Å; I134-L138 PolarHBondContact O-N 3Å; I134-L161 HydrophobicContact CG2-CD1 4.2Å; I134-L161 HydrophobicContact CG2-CD2 3.37Å; I134-L161 HydrophobicContact CG2-CG 4.43Å
135	Q	77.1	Confident	76.8	Confident	77 Å²	77	84.4 Å²	84.4	36%	0.36	44%	0.436	S	S	.	.	H	α-helix	trans	-58.9	-45.3	177.1	-179.8	66.5	22.3	0	0	110.7	K131 S132 H137 L138 E139	K131-Q135 WeakPolarHBondContact O-CB 2.79Å; K131-Q135 PolarHBondContact O-N 3.08Å; S132-Q135 PolarHBondContact O-N 2.87Å; Q135-H137 PolarHBondContact O-N 2.86Å; Q135-L138 PolarHBondContact O-N 3.19Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.48Å; Q135-E139 PolarHBondContact NE2-OE1 3.05Å; Q135-E139 WeakPolarHBondContact O-CG 3.18Å; Q135-E139 PolarHBondContact O-N 3.32Å
136	K	81.3	Confident	75.6	Confident	131 Å²	131	89 Å²	89	57%	0.57	45%	0.448	S	S	*	.	H	α-helix	trans	-60.8	-45.1	175.6	-176.3	-178.4	176.4	-177.2	0	112	S132 I133 I134 L138 E139 D140	S132-K136 VanDerWaalsContact O-CB 3.31Å; S132-K136 WeakPolarHBondContact O-CB 3.11Å; S132-K136 PolarHBondContact O-N 3.22Å; I133-K136 PolarHBondContact O-N 3.23Å; I134-K136 VanDerWaalsContact C-N 3.32Å; I134-K136 PolarHBondContact O-N 2.78Å; K136-L138 VanDerWaalsContact C-N 3.28Å; K136-L138 PolarHBondContact O-N 2.78Å; K136-E139 PolarHBondContact O-N 2.8Å; K136-D140 PolarHBondContact O-N 3.4Å
137	H	79.6	Confident	74.1	Confident	112 Å²	112	89.8 Å²	89.8	52%	0.519	45%	0.454	S	S	.	.	H	α-helix	trans	-61.3	-39.7	176.5	-173.5	72.5	0	0	0	111.6	I133 I134 Q135 D140 Q141	I133-H137 PolarHBondContact O-N 3.34Å; I134-H137 PolarHBondContact O-N 3.08Å; Q135-H137 PolarHBondContact O-N 2.86Å; H137-D140 PolarHBondContact O-N 3.24Å; H137-Q141 PolarHBondContact NE2-NE2 3.48Å; H137-Q141 WeakPolarHBondContact O-CG 3.46Å; H137-Q141 PolarHBondContact O-N 2.92Å
138	L	73.8	Confident	73	Confident	13 Å²	13	97 Å²	97	7%	0.068	49%	0.492	C	S	.	.	H	α-helix	trans	-66.2	-39.7	176.8	-177.2	59.2	0	0	0	112	I134 Q135 K136 Q141 Q142 N157 L161	I134-L138 WeakPolarHBondContact O-CB 3.07Å; I134-L138 PolarHBondContact O-N 3Å; Q135-L138 PolarHBondContact O-N 3.19Å; K136-L138 VanDerWaalsContact C-N 3.28Å; K136-L138 PolarHBondContact O-N 2.78Å; L138-Q141 PolarHBondContact O-N 3.09Å; L138-Q142 WeakPolarHBondContact O-CG 3.42Å; L138-Q142 PolarHBondContact O-N 3.22Å; L138-N157 HydrophobicContact CD1-CB 3.55Å; L138-N157 WeakPolarHBondContact CD1-ND2 2.87Å; L138-N157 HydrophobicContact CD2-CB 4.31Å; L138-L161 HydrophobicContact CD2-CD1 3.73Å
139	E	75	Confident	72	Confident	85 Å²	85	96.9 Å²	96.9	40%	0.397	49%	0.491	S	S	.	.	H	α-helix	trans	-65.9	-40.5	175.3	-73.1	170.5	-167.9	0	0	112.1	Q135 K136 Q141 Q142 R143	Q135-E139 WeakPolarHBondContact CG-OE1 3.48Å; Q135-E139 PolarHBondContact NE2-OE1 3.05Å; Q135-E139 WeakPolarHBondContact O-CG 3.18Å; Q135-E139 PolarHBondContact O-N 3.32Å; K136-E139 PolarHBondContact O-N 2.8Å; E139-Q141 VanDerWaalsContact C-N 3.32Å; E139-Q141 PolarHBondContact O-N 3.39Å; E139-Q142 WeakPolarHBondContact O-CB 3.36Å; E139-Q142 PolarHBondContact O-N 2.98Å; E139-Q142 VanDerWaalsContact O-N 3.16Å; E139-R143 PolarHBondContact O-N 3.42Å; E139-R143 VanDerWaalsContact O-N 3.12Å
140	D	75.8	Confident	70.6	Confident	76 Å²	76	95.8 Å²	95.8	41%	0.406	48%	0.48	S	S	.	.	H	α-helix	trans	-64.4	-36.9	175.3	-71.7	-24.2	0	0	0	111.5	K136 H137 Q142 R143 T144	K136-D140 PolarHBondContact O-N 3.4Å; H137-D140 PolarHBondContact O-N 3.24Å; D140-Q142 VanDerWaalsContact C-N 3.33Å; D140-R143 PolarHBondContact O-N 3.38Å; D140-T144 PolarHBondContact O-N 3.34Å; D140-T144 PolarHBondContact O-OG1 2.78Å
141	Q	69.2	Low	69.6	Low	84 Å²	84	94 Å²	94	39%	0.393	48%	0.481	S	S	.	.	H	α-helix	trans	-69	-28.6	173.6	-67.3	-73.9	4.9	0	0	113	H137 L138 E139 T144 N145	H137-Q141 PolarHBondContact NE2-NE2 3.48Å; H137-Q141 WeakPolarHBondContact O-CG 3.46Å; H137-Q141 PolarHBondContact O-N 2.92Å; L138-Q141 PolarHBondContact O-N 3.09Å; E139-Q141 VanDerWaalsContact C-N 3.32Å; E139-Q141 PolarHBondContact O-N 3.39Å; Q141-T144 PolarHBondContact O-OG1 2.89Å; Q141-T144 VanDerWaalsContact O-OG1 3.08Å; Q141-N145 PolarHBondContact O-ND2 3.38Å
142	Q	66.3	Low	68.9	Low	76 Å²	76	94 Å²	94	36%	0.355	49%	0.489	S	S	.	.	H	α-helix	trans	-72.4	-38.5	175.2	-76	176	3.3	0	0	111.9	L138 E139 D140 T144 N145 N154	L138-Q142 WeakPolarHBondContact O-CG 3.42Å; L138-Q142 PolarHBondContact O-N 3.22Å; E139-Q142 WeakPolarHBondContact O-CB 3.36Å; E139-Q142 PolarHBondContact O-N 2.98Å; E139-Q142 VanDerWaalsContact O-N 3.16Å; D140-Q142 VanDerWaalsContact C-N 3.33Å; Q142-T144 PolarHBondContact O-N 3.06Å; Q142-N145 PolarHBondContact O-N 2.96Å; Q142-N154 WeakPolarHBondContact CG-OD1 3.23Å; Q142-N154 PolarHBondContact NE2-OD1 2.82Å
143	R	63.3	Low	68.2	Low	203 Å²	203	93.7 Å²	93.7	77%	0.766	48%	0.48	S	S	*	.	H	α-helix	trans	-66.8	-25.2	178	-70.7	-173.6	-177	-173.8	3	113.5	E139 D140	E139-R143 PolarHBondContact O-N 3.42Å; E139-R143 VanDerWaalsContact O-N 3.12Å; D140-R143 PolarHBondContact O-N 3.38Å
144	T	62.5	Low	67.2	Low	99 Å²	99	90.4 Å²	90.4	61%	0.607	46%	0.464	S	S	*	.	H	α-helix	trans	-88.2	-18.4	-179.7	51.7	0	0	0	0	113.5	D140 Q141 Q142	D140-T144 PolarHBondContact O-N 3.34Å; D140-T144 PolarHBondContact O-OG1 2.78Å; Q141-T144 PolarHBondContact O-OG1 2.89Å; Q141-T144 VanDerWaalsContact O-OG1 3.08Å; Q142-T144 PolarHBondContact O-N 3.06Å
145	N	57.6	Low	66.5	Low	72 Å²	72	95.7 Å²	95.7	39%	0.385	49%	0.485	S	S	.	.			trans	-117.7	75	-175.4	-66.6	-58.5	0	0	0	111.9	Q141 Q142 S147 S150	Q141-N145 PolarHBondContact O-ND2 3.38Å; Q142-N145 PolarHBondContact O-N 2.96Å; N145-S147 VanDerWaalsContact C-N 3.31Å; N145-S147 PolarHBondContact O-N 2.96Å; N145-S150 PolarHBondContact O-OG 2.66Å
146	E	56.9	Low	66	Low	178 Å²	178	96.3 Å²	96.3	83%	0.832	49%	0.494	S	S	*	.			trans	-82.5	9.4	178.5	-71.9	-167.3	151.6	0	0	115.1
147	S	57.9	Low	65.4	Low	90 Å²	90	92.4 Å²	92.4	63%	0.629	48%	0.48	S	S	*	.	S	Bend	trans	-106.4	115.3	-180	-77	0	0	0	0	112.7	N145 T149 S150	N145-S147 VanDerWaalsContact C-N 3.31Å; N145-S147 PolarHBondContact O-N 2.96Å; S147-T149 WeakPolarHBondContact O-CA 3.39Å; S147-T149 PolarHBondContact O-N 3.32Å; S147-T149 PolarHBondContact O-OG1 3.46Å; S147-S150 PolarHBondContact O-N 2.92Å; S147-S150 PolarHBondContact O-OG 3.19Å
148	I	56.9	Low	64.8	Low	164 Å²	164	91.5 Å²	91.5	84%	0.841	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	27.2	-44.2	159.4	-58.3	175.2	0	0	0	118.8	S150	I148-S150 PolarHBondContact O-N 3.3Å
149	T	59.3	Low	64.7	Low	84 Å²	84	95.1 Å²	95.1	52%	0.515	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.9	166	61.3	0	0	0	0	114.4	S147 S151 T152 I153	S147-T149 WeakPolarHBondContact O-CA 3.39Å; S147-T149 PolarHBondContact O-N 3.32Å; S147-T149 PolarHBondContact O-OG1 3.46Å; T149-S151 VanDerWaalsContact C-N 3.26Å; T149-S151 PolarHBondContact O-N 3.41Å; T149-S151 VanDerWaalsContact O-N 3.17Å; T149-T152 PolarHBondContact O-N 3.03Å; T149-T152 VanDerWaalsContact O-N 3.17Å; T149-I153 WeakPolarHBondContact O-CG1 3.25Å; T149-I153 PolarHBondContact O-N 3.48Å; T149-I153 VanDerWaalsContact O-N 3.08Å
150	S	58.5	Low	64.4	Low	27 Å²	27	98.4 Å²	98.4	19%	0.189	51%	0.505	C	S	.	.	H	α-helix	trans	-57	-33.7	-176.4	-31.8	0	0	0	0	113.4	N145 S147 I148 N154	N145-S150 PolarHBondContact O-OG 2.66Å; S147-S150 PolarHBondContact O-N 2.92Å; S147-S150 PolarHBondContact O-OG 3.19Å; I148-S150 PolarHBondContact O-N 3.3Å; S150-N154 WeakPolarHBondContact O-CB 3.44Å; S150-N154 PolarHBondContact O-N 3.28Å; S150-N154 PolarHBondContact O-ND2 2.73Å
151	S	63.4	Low	64	Low	70 Å²	70	96.3 Å²	96.3	49%	0.49	49%	0.493	S	S	.	.	H	α-helix	trans	-70.3	-35.2	-179.1	65.7	0	0	0	0	113.5	T149 K155	T149-S151 VanDerWaalsContact C-N 3.26Å; T149-S151 PolarHBondContact O-N 3.41Å; T149-S151 VanDerWaalsContact O-N 3.17Å; S151-K155 WeakPolarHBondContact O-CG 3.21Å; S151-K155 PolarHBondContact O-N 3.28Å
152	T	65.1	Low	63.9	Low	92 Å²	92	94.6 Å²	94.6	56%	0.564	49%	0.491	S	S	*	.	H	α-helix	trans	-79.3	-42.2	178	-56.9	0	0	0	0	110	T149 N154 K155 V156	T149-T152 PolarHBondContact O-N 3.03Å; T149-T152 VanDerWaalsContact O-N 3.17Å; T152-N154 VanDerWaalsContact C-N 3.32Å; T152-N154 PolarHBondContact O-N 2.89Å; T152-K155 PolarHBondContact O-N 2.82Å; T152-V156 WeakPolarHBondContact O-CG2 3.21Å; T152-V156 PolarHBondContact O-N 2.88Å
153	I	64.4	Low	64	Low	72 Å²	72	95 Å²	95	37%	0.369	50%	0.495	S	S	.	.	H	α-helix	trans	-60.2	-42.9	174.9	-65.7	168.5	0	0	0	110.5	T149 K155 V156 N157	T149-I153 WeakPolarHBondContact O-CG1 3.25Å; T149-I153 PolarHBondContact O-N 3.48Å; T149-I153 VanDerWaalsContact O-N 3.08Å; I153-K155 PolarHBondContact O-N 3.45Å; I153-V156 PolarHBondContact O-N 3.28Å; I153-N157 WeakPolarHBondContact O-CB 3.25Å; I153-N157 VanDerWaalsContact O-CG 3.24Å; I153-N157 PolarHBondContact O-N 3.47Å; I153-N157 PolarHBondContact O-ND2 3.28Å
154	N	65.3	Low	64.3	Low	46 Å²	46	88 Å²	88	25%	0.246	47%	0.472	C	S	.	.	H	α-helix	trans	-63.1	-40.8	176.7	-75.7	-24.1	0	0	0	112.5	Q142 S150 T152 N157 Q158	Q142-N154 WeakPolarHBondContact CG-OD1 3.23Å; Q142-N154 PolarHBondContact NE2-OD1 2.82Å; S150-N154 WeakPolarHBondContact O-CB 3.44Å; S150-N154 PolarHBondContact O-N 3.28Å; S150-N154 PolarHBondContact O-ND2 2.73Å; T152-N154 VanDerWaalsContact C-N 3.32Å; T152-N154 PolarHBondContact O-N 2.89Å; N154-N157 PolarHBondContact O-N 2.81Å; N154-Q158 VanDerWaalsContact O-CB 3.3Å; N154-Q158 WeakPolarHBondContact O-CB 3.33Å; N154-Q158 WeakPolarHBondContact O-CG 3.34Å; N154-Q158 PolarHBondContact O-N 3.22Å
155	K	66.7	Low	64.6	Low	158 Å²	158	85.5 Å²	85.5	69%	0.687	46%	0.457	S	S	*	.	H	α-helix	trans	-65.6	-40.3	175.6	-75	175.1	-177.7	178.6	0	112.1	S151 T152 I153 N159	S151-K155 WeakPolarHBondContact O-CG 3.21Å; S151-K155 PolarHBondContact O-N 3.28Å; T152-K155 PolarHBondContact O-N 2.82Å; I153-K155 PolarHBondContact O-N 3.45Å; K155-N159 VanDerWaalsContact O-CB 3.28Å; K155-N159 WeakPolarHBondContact O-CB 3.06Å; K155-N159 PolarHBondContact O-N 2.76Å
156	V	68	Low	65.2	Low	90 Å²	90	86 Å²	86	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-66.3	-44.8	177.1	173.5	0	0	0	0	110.7	T152 I153 Q158 N159 Y160	T152-V156 WeakPolarHBondContact O-CG2 3.21Å; T152-V156 PolarHBondContact O-N 2.88Å; I153-V156 PolarHBondContact O-N 3.28Å; V156-Q158 PolarHBondContact O-N 2.96Å; V156-N159 PolarHBondContact O-N 2.78Å; V156-Y160 WeakPolarHBondContact O-CB 3.47Å; V156-Y160 PolarHBondContact O-N 3.45Å
157	N	68.2	Low	65.9	Low	50 Å²	50	83.7 Å²	83.7	27%	0.267	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-42.9	177.3	-71.4	-15.4	0	0	0	111.7	L138 I153 N154 N159 Y160 L161	L138-N157 HydrophobicContact CD1-CB 3.55Å; L138-N157 WeakPolarHBondContact CD1-ND2 2.87Å; L138-N157 HydrophobicContact CD2-CB 4.31Å; I153-N157 WeakPolarHBondContact O-CB 3.25Å; I153-N157 VanDerWaalsContact O-CG 3.24Å; I153-N157 PolarHBondContact O-N 3.47Å; I153-N157 PolarHBondContact O-ND2 3.28Å; N154-N157 PolarHBondContact O-N 2.81Å; N157-N159 PolarHBondContact O-N 3.3Å; N157-Y160 PolarHBondContact O-N 3.23Å; N157-L161 WeakPolarHBondContact O-CG 3.37Å; N157-L161 PolarHBondContact O-N 3.26Å
158	Q	67.7	Low	66.5	Low	93 Å²	93	81.9 Å²	81.9	44%	0.435	43%	0.429	S	S	.	.	H	α-helix	trans	-64.6	-38.6	175.3	-71.3	-68.2	-12.7	0	0	112.1	N154 V156 L161 S162	N154-Q158 VanDerWaalsContact O-CB 3.3Å; N154-Q158 WeakPolarHBondContact O-CB 3.33Å; N154-Q158 WeakPolarHBondContact O-CG 3.34Å; N154-Q158 PolarHBondContact O-N 3.22Å; V156-Q158 PolarHBondContact O-N 2.96Å; Q158-L161 PolarHBondContact O-N 3.46Å; Q158-S162 PolarHBondContact O-N 2.81Å; Q158-S162 PolarHBondContact O-OG 3.28Å
159	N	70.2	Confident	67.3	Low	88 Å²	88	77.7 Å²	77.7	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-67.2	-40.1	175.7	-167.4	-16.3	0	0	0	111.6	K155 V156 N157 S162 N163	K155-N159 VanDerWaalsContact O-CB 3.28Å; K155-N159 WeakPolarHBondContact O-CB 3.06Å; K155-N159 PolarHBondContact O-N 2.76Å; V156-N159 PolarHBondContact O-N 2.78Å; N157-N159 PolarHBondContact O-N 3.3Å; N159-S162 VanDerWaalsContact CA-OG 3.29Å; N159-S162 WeakPolarHBondContact CA-OG 2.86Å; N159-S162 PolarHBondContact O-N 2.79Å; N159-S162 PolarHBondContact O-OG 3.39Å; N159-N163 WeakPolarHBondContact O-CB 3.31Å; N159-N163 PolarHBondContact O-N 2.92Å; N159-N163 PolarHBondContact O-ND2 2.89Å; N159-N163 PolarHBondContact O-OD1 2.92Å; N159-N163 PolarHBondContact OD1-ND2 3.27Å; N159-N163 PolarHBondContact OD1-OD1 3.31Å
160	Y	69.6	Low	67.8	Low	154 Å²	154	78.4 Å²	78.4	60%	0.604	40%	0.404	S	S	*	.	H	α-helix	trans	-61.2	-45.3	173.8	-176.9	-108	0	0	0	111.6	V156 N157 N163 I164	V156-Y160 WeakPolarHBondContact O-CB 3.47Å; V156-Y160 PolarHBondContact O-N 3.45Å; N157-Y160 PolarHBondContact O-N 3.23Å; Y160-N163 PolarHBondContact O-N 2.85Å; Y160-I164 HydrophobicContact CD1-CD1 3.6Å; Y160-I164 HydrophobicContact CD2-CD1 4.48Å; Y160-I164 HydrophobicContact CE1-CD1 3.16Å; Y160-I164 HydrophobicContact CE1-CG1 4.33Å; Y160-I164 HydrophobicContact CE2-CD1 4.12Å; Y160-I164 HydrophobicContact CG-CD1 4.26Å; Y160-I164 VanDerWaalsContact CZ-CD1 3.45Å; Y160-I164 WeakPolarHBondContact O-CG1 3.36Å; Y160-I164 PolarHBondContact O-N 3.42Å
161	L	67.8	Low	68.6	Low	33 Å²	33	80 Å²	80	17%	0.173	42%	0.415	C	S	.	.	H	α-helix	trans	-63.7	-42.3	174.6	-67.3	-176.3	0	0	0	112.1	I134 L138 N157 Q158 N163 I164 T165	I134-L161 HydrophobicContact CG2-CD1 4.2Å; I134-L161 HydrophobicContact CG2-CD2 3.37Å; I134-L161 HydrophobicContact CG2-CG 4.43Å; L138-L161 HydrophobicContact CD2-CD1 3.73Å; N157-L161 WeakPolarHBondContact O-CG 3.37Å; N157-L161 PolarHBondContact O-N 3.26Å; Q158-L161 PolarHBondContact O-N 3.46Å; L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 2.75Å; L161-I164 PolarHBondContact O-N 3.03Å; L161-T165 VanDerWaalsContact O-CG2 3.27Å; L161-T165 WeakPolarHBondContact O-CG2 3.34Å; L161-T165 PolarHBondContact O-N 3.23Å; L161-T165 PolarHBondContact O-OG1 3.4Å
162	S	66.1	Low	69	Low	48 Å²	48	78.2 Å²	78.2	34%	0.336	40%	0.399	S	S	.	.	H	α-helix	trans	-62.2	-40.2	176.9	60.5	0	0	0	0	111.7	Q158 N159 T165 N166	Q158-S162 PolarHBondContact O-N 2.81Å; Q158-S162 PolarHBondContact O-OG 3.28Å; N159-S162 VanDerWaalsContact CA-OG 3.29Å; N159-S162 WeakPolarHBondContact CA-OG 2.86Å; N159-S162 PolarHBondContact O-N 2.79Å; N159-S162 PolarHBondContact O-OG 3.39Å; S162-T165 VanDerWaalsContact CA-OG1 3.28Å; S162-T165 WeakPolarHBondContact CA-OG1 3.23Å; S162-T165 PolarHBondContact O-N 3.49Å; S162-T165 PolarHBondContact O-OG1 2.85Å; S162-N166 VanDerWaalsContact O-CG 3.27Å; S162-N166 PolarHBondContact O-N 2.87Å; S162-N166 PolarHBondContact O-ND2 2.7Å; S162-N166 VanDerWaalsContact O-ND2 3.12Å
163	N	68.7	Low	69.2	Low	83 Å²	83	76.9 Å²	76.9	44%	0.444	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-44	178.5	-65.5	-15.1	0	0	0	111.3	N159 Y160 L161 T165 N166 E167	N159-N163 WeakPolarHBondContact O-CB 3.31Å; N159-N163 PolarHBondContact O-N 2.92Å; N159-N163 PolarHBondContact O-ND2 2.89Å; N159-N163 PolarHBondContact O-OD1 2.92Å; N159-N163 PolarHBondContact OD1-ND2 3.27Å; N159-N163 PolarHBondContact OD1-OD1 3.31Å; Y160-N163 PolarHBondContact O-N 2.85Å; L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 2.75Å; N163-T165 VanDerWaalsContact C-N 3.31Å; N163-T165 PolarHBondContact O-N 3.06Å; N163-N166 PolarHBondContact O-N 3.38Å; N163-E167 WeakPolarHBondContact O-CG 3.3Å; N163-E167 PolarHBondContact O-N 3.25Å
164	I	70.2	Confident	69.6	Low	56 Å²	56	78.9 Å²	78.9	29%	0.287	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-43.1	172.7	-69.5	168.3	0	0	0	110.9	Y160 L161 N166 E167 W168	Y160-I164 HydrophobicContact CD1-CD1 3.6Å; Y160-I164 HydrophobicContact CD2-CD1 4.48Å; Y160-I164 HydrophobicContact CE1-CD1 3.16Å; Y160-I164 HydrophobicContact CE1-CG1 4.33Å; Y160-I164 HydrophobicContact CE2-CD1 4.12Å; Y160-I164 HydrophobicContact CG-CD1 4.26Å; Y160-I164 VanDerWaalsContact CZ-CD1 3.45Å; Y160-I164 WeakPolarHBondContact O-CG1 3.36Å; Y160-I164 PolarHBondContact O-N 3.42Å; L161-I164 PolarHBondContact O-N 3.03Å; I164-N166 VanDerWaalsContact C-N 3.3Å; I164-N166 PolarHBondContact O-N 2.83Å; I164-E167 PolarHBondContact O-N 2.99Å; I164-W168 VanDerWaalsContact O-CB 3.26Å; I164-W168 WeakPolarHBondContact O-CB 3.25Å; I164-W168 PolarHBondContact O-N 2.86Å
165	T	69.4	Low	70	Confident	48 Å²	48	78.9 Å²	78.9	29%	0.294	39%	0.394	S	S	.	.	H	α-helix	trans	-64.3	-36.7	179.3	56.5	0	0	0	0	111.9	L161 S162 N163 W168 I169	L161-T165 VanDerWaalsContact O-CG2 3.27Å; L161-T165 WeakPolarHBondContact O-CG2 3.34Å; L161-T165 PolarHBondContact O-N 3.23Å; L161-T165 PolarHBondContact O-OG1 3.4Å; S162-T165 VanDerWaalsContact CA-OG1 3.28Å; S162-T165 WeakPolarHBondContact CA-OG1 3.23Å; S162-T165 PolarHBondContact O-N 3.49Å; S162-T165 PolarHBondContact O-OG1 2.85Å; N163-T165 VanDerWaalsContact C-N 3.31Å; N163-T165 PolarHBondContact O-N 3.06Å; T165-W168 PolarHBondContact O-N 3.29Å; T165-I169 WeakPolarHBondContact O-CB 3.24Å; T165-I169 VanDerWaalsContact O-CD1 3.27Å; T165-I169 WeakPolarHBondContact O-CD1 3.44Å; T165-I169 WeakPolarHBondContact O-CG1 3.38Å; T165-I169 PolarHBondContact O-N 2.95Å
166	N	68.4	Low	70	Confident	82 Å²	82	73.2 Å²	73.2	44%	0.439	37%	0.371	S	S	.	.	H	α-helix	trans	-67.9	-46.8	177.5	-71.5	-35.1	0	0	0	111.8	S162 N163 I164 W168 I169 H170	S162-N166 VanDerWaalsContact O-CG 3.27Å; S162-N166 PolarHBondContact O-N 2.87Å; S162-N166 PolarHBondContact O-ND2 2.7Å; S162-N166 VanDerWaalsContact O-ND2 3.12Å; N163-N166 PolarHBondContact O-N 3.38Å; I164-N166 VanDerWaalsContact C-N 3.3Å; I164-N166 PolarHBondContact O-N 2.83Å; N166-W168 PolarHBondContact O-N 2.87Å; N166-I169 PolarHBondContact O-N 2.99Å; N166-H170 PolarHBondContact O-CD2 2.66Å; N166-H170 VanDerWaalsContact O-CD2 3.24Å; N166-H170 PolarHBondContact O-N 3.49Å
167	E	73.3	Confident	69.9	Low	130 Å²	130	71.9 Å²	71.9	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-57	-40.7	173.4	-72.9	-60.5	135.4	0	0	111.3	N163 I164 H170 S171	N163-E167 WeakPolarHBondContact O-CG 3.3Å; N163-E167 PolarHBondContact O-N 3.25Å; I164-E167 PolarHBondContact O-N 2.99Å; E167-H170 PolarHBondContact O-N 3.24Å; E167-S171 WeakPolarHBondContact O-CB 3.44Å; E167-S171 PolarHBondContact O-N 3.46Å
168	W	70.1	Confident	69.8	Low	52 Å²	52	73.5 Å²	73.5	20%	0.197	37%	0.371	C	S	.	.	H	α-helix	trans	-73.6	-34.4	179.7	-168.6	38.8	0	0	0	113.5	Y123 E127 K131 I164 T165 N166 H170 S171 K172	Y123-W168 AromaticContact CZ-NE1 3.81Å; Y123-W168 PolarHBondContact OH-NE1 3.46Å; E127-W168 HydrophobicContact CB-CH2 3.09Å; E127-W168 HydrophobicContact CB-CZ2 3.43Å; E127-W168 VanDerWaalsContact CB-CZ2 3.43Å; E127-W168 HydrophobicContact CB-CZ3 4.01Å; E127-W168 HydrophobicContact CG-CE3 4.48Å; E127-W168 HydrophobicContact CG-CH2 3.03Å; E127-W168 HydrophobicContact CG-CZ2 3.78Å; E127-W168 HydrophobicContact CG-CZ3 3.4Å; E127-W168 WeakPolarHBondContact OE1-CZ3 3.32Å; K131-W168 HydrophobicContact CD-CZ3 4.22Å; K131-W168 HydrophobicContact CG-CZ3 4.28Å; I164-W168 VanDerWaalsContact O-CB 3.26Å; I164-W168 WeakPolarHBondContact O-CB 3.25Å; I164-W168 PolarHBondContact O-N 2.86Å; T165-W168 PolarHBondContact O-N 3.29Å; N166-W168 PolarHBondContact O-N 2.87Å; W168-H170 VanDerWaalsContact C-N 3.31Å; W168-S171 PolarHBondContact O-N 3.09Å; W168-K172 WeakPolarHBondContact O-CB 3.32Å; W168-K172 PolarHBondContact O-N 3.32Å
169	I	73	Confident	69.8	Low	76 Å²	76	71.7 Å²	71.7	39%	0.39	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-43.5	171.3	-73.1	157.7	0	0	0	109.5	T165 N166 K172 Q173	T165-I169 WeakPolarHBondContact O-CB 3.24Å; T165-I169 VanDerWaalsContact O-CD1 3.27Å; T165-I169 WeakPolarHBondContact O-CD1 3.44Å; T165-I169 WeakPolarHBondContact O-CG1 3.38Å; T165-I169 PolarHBondContact O-N 2.95Å; N166-I169 PolarHBondContact O-N 2.99Å; I169-K172 PolarHBondContact O-N 3.48Å; I169-Q173 HydrophobicContact CG2-CG 4.38Å; I169-Q173 WeakPolarHBondContact O-CB 3.33Å; I169-Q173 WeakPolarHBondContact O-CG 3.4Å; I169-Q173 PolarHBondContact O-N 2.95Å
170	H	71	Confident	69.6	Low	98 Å²	98	71.9 Å²	71.9	45%	0.454	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-45.6	175.3	-76.8	-60.6	0	0	0	112.5	N166 E167 W168 K172 Q173 F174	N166-H170 PolarHBondContact O-CD2 2.66Å; N166-H170 VanDerWaalsContact O-CD2 3.24Å; N166-H170 PolarHBondContact O-N 3.49Å; E167-H170 PolarHBondContact O-N 3.24Å; W168-H170 VanDerWaalsContact C-N 3.31Å; H170-K172 VanDerWaalsContact C-N 3.35Å; H170-K172 PolarHBondContact O-N 2.95Å; H170-Q173 PolarHBondContact O-N 3.37Å; H170-F174 WeakPolarHBondContact O-CB 3.31Å; H170-F174 PolarHBondContact O-N 3.11Å
171	S	74.6	Confident	69.1	Low	61 Å²	61	66.7 Å²	66.7	43%	0.427	35%	0.351	S	S	.	.	H	α-helix	trans	-63	-40	176	-177	0	0	0	0	112.3	E167 W168 F174 T175	E167-S171 WeakPolarHBondContact O-CB 3.44Å; E167-S171 PolarHBondContact O-N 3.46Å; W168-S171 PolarHBondContact O-N 3.09Å; S171-F174 PolarHBondContact O-N 3Å; S171-T175 WeakPolarHBondContact O-CB 3.41Å; S171-T175 WeakPolarHBondContact O-CG2 3.4Å; S171-T175 PolarHBondContact O-N 2.97Å; S171-T175 PolarHBondContact O-OG1 3.36Å
172	K	72.1	Confident	68.4	Low	32 Å²	32	70.3 Å²	70.3	14%	0.139	37%	0.37	C	S	.	.	H	α-helix	trans	-63.6	-44.5	173.7	-178.4	177.9	-178.6	168.5	0	111.4	Y123 E127 W168 I169 H170 F174 T175 M176	Y123-K172 HydrophobicContact CE1-CD 4.28Å; Y123-K172 HydrophobicContact CE1-CG 4.19Å; E127-K172 IonicContact OE2-NZ 2.84Å; E127-K172 PolarHBondContact OE2-NZ 3.15Å; W168-K172 WeakPolarHBondContact O-CB 3.32Å; W168-K172 PolarHBondContact O-N 3.32Å; I169-K172 PolarHBondContact O-N 3.48Å; H170-K172 VanDerWaalsContact C-N 3.35Å; H170-K172 PolarHBondContact O-N 2.95Å; K172-F174 VanDerWaalsContact C-N 3.33Å; K172-T175 WeakPolarHBondContact CA-OG1 3.29Å; K172-T175 PolarHBondContact O-OG1 3.43Å; K172-M176 HydrophobicContact CG-CG 4.44Å; K172-M176 VanDerWaalsContact O-CB 3.22Å; K172-M176 WeakPolarHBondContact O-CB 3.41Å; K172-M176 WeakPolarHBondContact O-CG 3.47Å; K172-M176 PolarHBondContact O-N 2.74Å
173	Q	69.1	Low	67.8	Low	64 Å²	64	70.4 Å²	70.4	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-42.6	176.2	-76	171.3	-2.3	0	0	111.2	I169 H170 S177 L243	I169-Q173 HydrophobicContact CG2-CG 4.38Å; I169-Q173 WeakPolarHBondContact O-CB 3.33Å; I169-Q173 WeakPolarHBondContact O-CG 3.4Å; I169-Q173 PolarHBondContact O-N 2.95Å; H170-Q173 PolarHBondContact O-N 3.37Å; Q173-S177 VanDerWaalsContact O-CB 3.22Å; Q173-S177 WeakPolarHBondContact O-CB 3.46Å; Q173-S177 PolarHBondContact O-N 3.17Å; Q173-L243 HydrophobicContact CG-CD1 4.33Å
174	F	72.9	Confident	66.5	Low	114 Å²	114	71.5 Å²	71.5	50%	0.5	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-53.1	177.1	-177.7	-99.3	0	0	0	111.7	H170 S171 K172 M176 S177 H178	H170-F174 WeakPolarHBondContact O-CB 3.31Å; H170-F174 PolarHBondContact O-N 3.11Å; S171-F174 PolarHBondContact O-N 3Å; K172-F174 VanDerWaalsContact C-N 3.33Å; F174-M176 PolarHBondContact O-N 3.37Å; F174-S177 WeakPolarHBondContact O-CB 3.48Å; F174-S177 PolarHBondContact O-N 3.46Å; F174-H178 AromaticContact CD1-CD2 3.77Å; F174-H178 AromaticContact CD2-CD2 3.88Å; F174-H178 AromaticContact CD2-NE2 3.85Å; F174-H178 AromaticContact CE1-CD2 3.48Å; F174-H178 VanDerWaalsContact CE1-CD2 3.48Å; F174-H178 WeakPolarHBondContact CE1-CD2 3.39Å; F174-H178 AromaticContact CE1-NE2 3.62Å; F174-H178 AromaticContact CE2-CD2 3.61Å; F174-H178 AromaticContact CE2-NE2 3.14Å; F174-H178 WeakPolarHBondContact CE2-NE2 3.45Å; F174-H178 AromaticContact CG-CD2 3.97Å; F174-H178 AromaticContact CZ-CD2 3.4Å; F174-H178 VanDerWaalsContact CZ-CD2 3.4Å; F174-H178 WeakPolarHBondContact CZ-CD2 3.31Å; F174-H178 AromaticContact CZ-NE2 3.01Å; F174-H178 WeakPolarHBondContact CZ-NE2 3.38Å; F174-H178 PolarHBondContact O-CD2 3.45Å; F174-H178 VanDerWaalsContact O-CD2 3.24Å; F174-H178 PolarHBondContact O-N 3.29Å
175	T	72	Confident	65.1	Low	47 Å²	47	74.1 Å²	74.1	29%	0.288	39%	0.385	S	S	.	.	H	α-helix	trans	-61	-43.2	179	50	0	0	0	0	112	S171 K172 H178 I179	S171-T175 WeakPolarHBondContact O-CB 3.41Å; S171-T175 WeakPolarHBondContact O-CG2 3.4Å; S171-T175 PolarHBondContact O-N 2.97Å; S171-T175 PolarHBondContact O-OG1 3.36Å; K172-T175 WeakPolarHBondContact CA-OG1 3.29Å; K172-T175 PolarHBondContact O-OG1 3.43Å; T175-H178 PolarHBondContact O-N 2.86Å; T175-I179 VanDerWaalsContact O-CG1 3.25Å; T175-I179 WeakPolarHBondContact O-CG1 3.37Å; T175-I179 PolarHBondContact O-N 3.01Å
176	M	67.8	Low	63.9	Low	39 Å²	39	77 Å²	77	19%	0.192	40%	0.402	C	S	.	.	H	α-helix	trans	-64.6	-41.2	175.5	-73.5	-60.5	-66.1	0	0	112.2	Y120 K172 F174 H178 I179 L180	Y120-M176 HydrophobicContact CD2-CE 3.79Å; Y120-M176 HydrophobicContact CD2-SD 3.43Å; Y120-M176 WeakPolarHBondContact CD2-SD 3.46Å; Y120-M176 HydrophobicContact CE2-CE 3.85Å; Y120-M176 HydrophobicContact CE2-CG 4.34Å; Y120-M176 HydrophobicContact CE2-SD 3.64Å; Y120-M176 HydrophobicContact CG-CE 4.46Å; Y120-M176 HydrophobicContact CG-SD 4.47Å; K172-M176 HydrophobicContact CG-CG 4.44Å; K172-M176 VanDerWaalsContact O-CB 3.22Å; K172-M176 WeakPolarHBondContact O-CB 3.41Å; K172-M176 WeakPolarHBondContact O-CG 3.47Å; K172-M176 PolarHBondContact O-N 2.74Å; F174-M176 PolarHBondContact O-N 3.37Å; M176-H178 VanDerWaalsContact C-N 3.32Å; M176-H178 PolarHBondContact O-N 3.03Å; M176-I179 PolarHBondContact O-N 2.74Å; M176-L180 HydrophobicContact CE-CD1 4.06Å; M176-L180 VanDerWaalsContact O-CB 3.27Å; M176-L180 WeakPolarHBondContact O-CB 3.29Å; M176-L180 WeakPolarHBondContact O-CD1 3.31Å; M176-L180 VanDerWaalsContact O-CG 3.24Å; M176-L180 WeakPolarHBondContact O-CG 3.31Å; M176-L180 PolarHBondContact O-N 3.46Å
177	S	66.5	Low	62.7	Low	61 Å²	61	77.2 Å²	77.2	43%	0.427	40%	0.402	S	S	.	.	H	α-helix	trans	-60	-42.9	174.1	-176.5	0	0	0	0	111.1	Q173 F174 S181	Q173-S177 VanDerWaalsContact O-CB 3.22Å; Q173-S177 WeakPolarHBondContact O-CB 3.46Å; Q173-S177 PolarHBondContact O-N 3.17Å; F174-S177 WeakPolarHBondContact O-CB 3.48Å; F174-S177 PolarHBondContact O-N 3.46Å; S177-S181 WeakPolarHBondContact O-CA 3.25Å; S177-S181 WeakPolarHBondContact O-CB 3.42Å; S177-S181 PolarHBondContact O-N 3.12Å; S177-S181 PolarHBondContact O-OG 3.2Å
178	H	64.7	Low	61.1	Low	84 Å²	84	78 Å²	78	39%	0.389	41%	0.406	S	S	.	.	H	α-helix	trans	-67.1	-42.4	177.6	-84.2	-76.6	0	0	0	113.2	F174 T175 M176 L180 N182	F174-H178 AromaticContact CD1-CD2 3.77Å; F174-H178 AromaticContact CD2-CD2 3.88Å; F174-H178 AromaticContact CD2-NE2 3.85Å; F174-H178 AromaticContact CE1-CD2 3.48Å; F174-H178 VanDerWaalsContact CE1-CD2 3.48Å; F174-H178 WeakPolarHBondContact CE1-CD2 3.39Å; F174-H178 AromaticContact CE1-NE2 3.62Å; F174-H178 AromaticContact CE2-CD2 3.61Å; F174-H178 AromaticContact CE2-NE2 3.14Å; F174-H178 WeakPolarHBondContact CE2-NE2 3.45Å; F174-H178 AromaticContact CG-CD2 3.97Å; F174-H178 AromaticContact CZ-CD2 3.4Å; F174-H178 VanDerWaalsContact CZ-CD2 3.4Å; F174-H178 WeakPolarHBondContact CZ-CD2 3.31Å; F174-H178 AromaticContact CZ-NE2 3.01Å; F174-H178 WeakPolarHBondContact CZ-NE2 3.38Å; F174-H178 PolarHBondContact O-CD2 3.45Å; F174-H178 VanDerWaalsContact O-CD2 3.24Å; F174-H178 PolarHBondContact O-N 3.29Å; T175-H178 PolarHBondContact O-N 2.86Å; M176-H178 VanDerWaalsContact C-N 3.32Å; M176-H178 PolarHBondContact O-N 3.03Å; H178-L180 VanDerWaalsContact C-N 3.34Å; H178-L180 PolarHBondContact O-N 2.91Å; H178-N182 VanDerWaalsContact O-CB 3.25Å; H178-N182 WeakPolarHBondContact O-CB 3.48Å; H178-N182 VanDerWaalsContact O-CG 3.29Å; H178-N182 PolarHBondContact O-N 3Å
179	I	68.6	Low	59.6	Low	56 Å²	56	80.4 Å²	80.4	29%	0.287	43%	0.43	S	S	.	.	H	α-helix	trans	-65.8	-38.6	178.7	-66.2	165.2	0	0	0	111	V116 F119 T175 M176	V116-I179 HydrophobicContact CG1-CG2 3.66Å; V116-I179 HydrophobicContact CG2-CG2 4.24Å; F119-I179 HydrophobicContact CE1-CD1 4.25Å; T175-I179 VanDerWaalsContact O-CG1 3.25Å; T175-I179 WeakPolarHBondContact O-CG1 3.37Å; T175-I179 PolarHBondContact O-N 3.01Å; M176-I179 PolarHBondContact O-N 2.74Å
180	L	66.3	Low	58	Low	91 Å²	91	81.9 Å²	81.9	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-80.9	-39.7	179.6	-67.3	167.2	0	0	0	112.5	M176 H178 K183 L184	M176-L180 HydrophobicContact CE-CD1 4.06Å; M176-L180 VanDerWaalsContact O-CB 3.27Å; M176-L180 WeakPolarHBondContact O-CB 3.29Å; M176-L180 WeakPolarHBondContact O-CD1 3.31Å; M176-L180 VanDerWaalsContact O-CG 3.24Å; M176-L180 WeakPolarHBondContact O-CG 3.31Å; M176-L180 PolarHBondContact O-N 3.46Å; H178-L180 VanDerWaalsContact C-N 3.34Å; H178-L180 PolarHBondContact O-N 2.91Å; L180-K183 PolarHBondContact O-N 3.19Å; L180-L184 PolarHBondContact O-N 3.35Å
181	S	59	Low	56.4	Low	46 Å²	46	81.3 Å²	81.3	32%	0.322	45%	0.454	S	S	.	.	H	α-helix	trans	-74.9	-34.2	-177.1	-59.5	0	0	0	0	112.9	S177 K183 L184 N185	S177-S181 WeakPolarHBondContact O-CA 3.25Å; S177-S181 WeakPolarHBondContact O-CB 3.42Å; S177-S181 PolarHBondContact O-N 3.12Å; S177-S181 PolarHBondContact O-OG 3.2Å; S181-K183 PolarHBondContact O-N 3.01Å; S181-K183 VanDerWaalsContact O-N 3.15Å; S181-L184 PolarHBondContact O-N 2.64Å; S181-N185 PolarHBondContact O-N 3.05Å
182	N	52	Low	54.5	Low	109 Å²	109	85.5 Å²	85.5	58%	0.583	48%	0.478	S	S	*	.	H	α-helix	trans	-61.1	-22.9	171.8	-78.8	0.8	0	0	0	111.8	H178 T186	H178-N182 VanDerWaalsContact O-CB 3.25Å; H178-N182 WeakPolarHBondContact O-CB 3.48Å; H178-N182 VanDerWaalsContact O-CG 3.29Å; H178-N182 PolarHBondContact O-N 3Å; N182-T186 PolarHBondContact O-OG1 3.37Å
183	K	53.2	Low	52.9	Low	50 Å²	50	89.4 Å²	89.4	22%	0.217	51%	0.509	C	S	.	.	H	α-helix	trans	-85.1	-35.4	173.8	-98	180	169.4	-172.2	0	113.9	L180 S181 T186 I187	L180-K183 PolarHBondContact O-N 3.19Å; S181-K183 PolarHBondContact O-N 3.01Å; S181-K183 VanDerWaalsContact O-N 3.15Å; K183-T186 PolarHBondContact O-N 2.93Å; K183-I187 WeakPolarHBondContact O-CG1 3.35Å
184	L	43.3	Very low	51.4	Low	106 Å²	106	92 Å²	92	56%	0.555	53%	0.534	S	S	*	.	H	α-helix	trans	-71.5	-33.8	179.1	-72.4	171.8	0	0	0	113.3	L180 S181 T186 I187	L180-L184 PolarHBondContact O-N 3.35Å; S181-L184 PolarHBondContact O-N 2.64Å; L184-T186 VanDerWaalsContact C-N 3.32Å; L184-T186 PolarHBondContact O-N 2.93Å; L184-I187 PolarHBondContact O-N 3.32Å
185	N	40.2	Very low	50.1	Low	111 Å²	111	92.8 Å²	92.8	59%	0.594	55%	0.551	S	S	*	*	H	α-helix	trans	-74.9	-21.2	177.1	-75.1	-21	0	0	0	113.7	S181 I187 S189	S181-N185 PolarHBondContact O-N 3.05Å; N185-I187 VanDerWaalsContact C-N 3.3Å; N185-S189 PolarHBondContact O-OG 3.44Å
186	T	43.8	Very low	48.4	Very low	108 Å²	108	96 Å²	96	66%	0.663	58%	0.575	S	S	*	*	H	α-helix	trans	-74	-24.5	174.1	-56.7	0	0	0	0	111.7	N182 K183 L184	N182-T186 PolarHBondContact O-OG1 3.37Å; K183-T186 PolarHBondContact O-N 2.93Å; L184-T186 VanDerWaalsContact C-N 3.32Å; L184-T186 PolarHBondContact O-N 2.93Å
187	I	42.9	Very low	47.1	Very low	87 Å²	87	99.9 Å²	99.9	45%	0.446	61%	0.606	S	S	.	*	H	α-helix	trans	-86.9	-25.8	-176.8	-64.1	169.5	0	0	0	112.5	K183 L184 N185	K183-I187 WeakPolarHBondContact O-CG1 3.35Å; L184-I187 PolarHBondContact O-N 3.32Å; N185-I187 VanDerWaalsContact C-N 3.3Å
188	H	40.3	Very low	45.9	Very low	147 Å²	147	102 Å²	102	68%	0.681	62%	0.621	S	S	*	*	H	α-helix	trans	-101	-9	-175	-78.3	-87.7	0	0	0	115.7
189	S	38.4	Very low	44.7	Very low	101 Å²	101	102.9 Å²	102.9	71%	0.706	64%	0.637	S	S	*	*	S	Bend	trans	-95.8	0.8	-170.1	-51.3	0	0	0	0	115.8	N185	N185-S189 PolarHBondContact O-OG 3.44Å
190	S	39.9	Very low	43.4	Very low	108 Å²	108	105.3 Å²	105.3	76%	0.755	66%	0.658	S	S	*	*	S	Bend	trans	-116.5	12.7	-172.1	55	0	0	0	0	115.4
191	S	37.3	Very low	42.2	Very low	85 Å²	85	106.1 Å²	106.1	59%	0.594	67%	0.672	S	S	*	*	S	Bend	trans	-133.6	99	174.8	56.6	0	0	0	0	110.9
192	T	34.6	Very low	41.1	Very low	149 Å²	149	109 Å²	109	91%	0.914	69%	0.692	S	S	*	*			trans	158.1	88.2	146.5	40.2	0	0	0	0	110.3
193	S	37.3	Very low	40.6	Very low	115 Å²	115	113.9 Å²	113.9	80%	0.804	71%	0.708	S	S	*	*			trans	-151.5	90.1	150.1	47.3	0	0	0	0	109.5
194	S	38.8	Very low	39.9	Very low	117 Å²	117	116.6 Å²	116.6	82%	0.818	73%	0.731	S	S	*	*			trans	-141.4	101.4	159	-62.7	0	0	0	0	105.6	S196	S194-S196 PolarHBondContact O-N 3.03Å
195	P	44.7	Very low	39.6	Very low	132 Å²	132	117.9 Å²	117.9	86%	0.857	75%	0.749	S	S	*	*			trans	-82.5	119.2	-179.1	30.2	-27.6	0	0	0	109.1
196	S	36.2	Very low	39.4	Very low	115 Å²	115	116 Å²	116	80%	0.804	76%	0.755	S	S	*	*			trans	-91.2	116.3	163.8	45.2	0	0	0	0	109	S194	S194-S196 PolarHBondContact O-N 3.03Å
197	S	41.4	Very low	39.2	Very low	119 Å²	119	120.4 Å²	120.4	83%	0.832	77%	0.769	S	S	*	*			trans	-167.9	129.5	143.1	26.3	0	0	0	0	110.4
198	S	41.8	Very low	38.8	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	79%	0.786	S	S	*	*			trans	-67	155.9	176.9	42.6	0	0	0	0	113.4
199	S	39.6	Very low	38.8	Very low	102 Å²	102	120.6 Å²	120.6	71%	0.713	79%	0.786	S	S	*	*			trans	73.7	114	146.7	55	0	0	0	0	120.3
200	S	40.8	Very low	38.8	Very low	106 Å²	106	121.8 Å²	121.8	74%	0.741	79%	0.789	S	S	*	*			trans	82.3	111.1	131.4	62	0	0	0	0	120.3
201	S	40.4	Very low	38.6	Very low	109 Å²	109	123.6 Å²	123.6	76%	0.762	79%	0.79	S	S	*	*				111.3	123.9	127.9	77.5	0	0	0	0	117.2
202	S	37.1	Very low	38.2	Very low	107 Å²	107	125.5 Å²	125.5	75%	0.748	79%	0.794	S	S	*	*			trans	93.2	84.1	145.1	-43.7	0	0	0	0	118.3
203	F	39.9	Very low	38.2	Very low	210 Å²	210	126.7 Å²	126.7	92%	0.921	79%	0.786	S	S	*	*			trans	12	155.4	144.6	-76.2	-89.2	0	0	0	124.4
204	P	39.1	Very low	37.8	Very low	108 Å²	108	125.9 Å²	125.9	70%	0.701	78%	0.781	S	S	*	*			trans	-121.8	174.5	-149.8	43.8	-30.2	0	0	0	114.9
205	S	38	Very low	37.3	Very low	133 Å²	133	129.4 Å²	129.4	93%	0.93	79%	0.785	S	S	*	*			trans	178.2	134.2	155.1	-75.2	0	0	0	0	107.9
206	G	35.8	Very low	36.7	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	78%	0.779	S	S	*	*			cis	-177.8	177.3	1.6	0	0	0	0	0	109.7
207	Q	38	Very low	36.6	Very low	202 Å²	202	128.9 Å²	128.9	94%	0.944	78%	0.778	S	S	*	*			trans	88.3	101.5	162.3	-56.2	-176.1	57.2	0	0	119
208	T	35.7	Very low	36.1	Very low	133 Å²	133	130.9 Å²	130.9	82%	0.816	78%	0.78	S	S	*	*			trans	-80.3	-164.9	157.2	48.6	0	0	0	0	110.5
209	P	40.9	Very low	35.7	Very low	105 Å²	105	135.1 Å²	135.1	68%	0.682	79%	0.785	S	S	*	*				-131.5	-177.1	-58.7	34.8	-17.1	0	0	0	110.9
210	V	37.2	Very low	35.2	Very low	125 Å²	125	137.1 Å²	137.1	76%	0.758	79%	0.786	S	S	*	*			trans	178.7	132.9	134.9	-89.3	0	0	0	0	114.3
211	N	35.3	Very low	35.2	Very low	147 Å²	147	137 Å²	137	79%	0.786	78%	0.783	S	S	*	*			trans	64.7	123.4	141.4	-54.1	-1.4	0	0	0	120.1
212	D	29.5	Very low	34.7	Very low	125 Å²	125	139.1 Å²	139.1	67%	0.668	79%	0.786	S	S	*	*			cis	92.5	141.4	40.6	-155.2	15.9	0	0	0	114.5
213	F	33.7	Very low	34.5	Very low	173 Å²	173	143.7 Å²	143.7	76%	0.759	79%	0.788	S	S	*	*			trans	81.3	111.8	178.3	-57.2	-80.2	0	0	0	117.9
214	S	29.4	Very low	34.1	Very low	98 Å²	98	139 Å²	139	69%	0.685	78%	0.781	S	S	*	*				97.7	128.5	58.6	-70.7	0	0	0	0	113.3
215	E	28.5	Very low	33.8	Very low	192 Å²	192	142.1 Å²	142.1	90%	0.897	79%	0.786	S	S	*	*			trans	58.2	116	156.2	-71.1	179.7	144.7	0	0	121.1
216	S	31.9	Very low	33.4	Very low	107 Å²	107	140.4 Å²	140.4	75%	0.748	77%	0.774	S	S	*	*			trans	-162.9	105.1	131.6	62.8	0	0	0	0	112.7
217	V	34.3	Very low	33.3	Very low	129 Å²	129	145.1 Å²	145.1	78%	0.782	78%	0.777	S	S	*	*			trans	33.1	124.6	131.5	-163.3	0	0	0	0	119.2	F219	V217-F219 PolarHBondContact O-N 3.34Å
218	N	31.9	Very low	33	Very low	161 Å²	161	145.2 Å²	145.2	86%	0.861	77%	0.77	S	S	*	*			trans	-31.3	112.1	164.8	-64.3	-63.2	0	0	0	114.4
219	F	31.9	Very low	32.8	Very low	195 Å²	195	145.1 Å²	145.1	86%	0.855	77%	0.769	S	S	*	*			trans	-93.3	113.9	164.2	-107.9	-93.6	0	0	0	109.4	V217 P221	V217-F219 PolarHBondContact O-N 3.34Å; F219-P221 WeakPolarHBondContact O-CD 3.49Å
220	I	30.7	Very low	32.5	Very low	144 Å²	144	145 Å²	145	74%	0.738	77%	0.771	S	S	*	*			trans	-68.3	122.3	161.2	-62.7	168	0	0	0	106.3	D222	I220-D222 PolarHBondContact O-N 3.07Å
221	P	39.6	Very low	32.5	Very low	104 Å²	104	145 Å²	145	68%	0.675	77%	0.766	S	S	*	*			trans	-78.7	112.8	175	-8.4	25.2	0	0	0	109.8	F219 Y223	F219-P221 WeakPolarHBondContact O-CD 3.49Å; P221-Y223 PolarHBondContact O-N 3.29Å
222	D	29.3	Very low	32.5	Very low	154 Å²	154	143.7 Å²	143.7	82%	0.824	76%	0.755	S	S	*	*			trans	-59	120.4	165.9	-89.1	-32.8	0	0	0	110.1	I220 S224	I220-D222 PolarHBondContact O-N 3.07Å; D222-S224 PolarHBondContact O-N 3.06Å; D222-S224 VanDerWaalsContact O-N 3.17Å
223	Y	34	Very low	32.9	Very low	203 Å²	203	146.6 Å²	146.6	80%	0.796	76%	0.758	S	S	*	*			trans	-77	96.7	172.2	-91.5	-95.4	0	0	0	109.7	P221	P221-Y223 PolarHBondContact O-N 3.29Å
224	S	30.8	Very low	32.9	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	76%	0.764	S	S	*	*			trans	-108	116.9	159	52.6	0	0	0	0	109.2	D222	D222-S224 PolarHBondContact O-N 3.06Å; D222-S224 VanDerWaalsContact O-N 3.17Å
225	H	33.3	Very low	33.3	Very low	173 Å²	173	148.8 Å²	148.8	80%	0.801	76%	0.759	S	S	*	*			trans	-95.9	106.9	-171.7	-154.2	83.9	0	0	0	108.6
226	S	30	Very low	33.8	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	74%	0.735	S	S	*	*			trans	-173.4	137.8	155.4	50.4	0	0	0	0	111.4
227	H	33.8	Very low	34.1	Very low	169 Å²	169	143.5 Å²	143.5	78%	0.782	73%	0.729	S	S	*	*	S	Bend	trans	75.9	69.4	167.4	-59.6	-77.2	0	0	0	119
228	Y	31.6	Very low	34.3	Very low	205 Å²	205	143.1 Å²	143.1	80%	0.804	72%	0.723	S	S	*	*			trans	-156	48.6	139.6	-135	-93.8	0	0	0	113	I231	Y228-I231 HydrophobicContact CE1-CD1 4.48Å
229	T	30.6	Very low	34.7	Very low	130 Å²	130	139.8 Å²	139.8	80%	0.798	70%	0.704	S	S	*	*			trans	-100.5	100.1	170.3	40.2	0	0	0	0	108.8
230	S	35.9	Very low	34.9	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	68%	0.68	S	S	*	*	S	Bend	trans	-177.4	-15.7	155.7	-85.4	0	0	0	0	116.2
231	I	35.6	Very low	35.6	Very low	124 Å²	124	132.3 Å²	132.3	64%	0.636	67%	0.673	S	S	*	*	S	Bend	trans	-108.8	0.9	-163.2	-56.9	178.4	0	0	0	115.3	Y228	Y228-I231 HydrophobicContact CE1-CD1 4.48Å
232	Q	35.4	Very low	35.6	Very low	120 Å²	120	133.3 Å²	133.3	56%	0.561	67%	0.669	S	S	*	*			trans	-120.5	15.1	-173.3	-74.5	-85.2	-53.1	0	0	115.2	E234 S236	Q232-E234 VanDerWaalsContact C-N 3.27Å; Q232-E234 PolarHBondContact O-N 3.48Å; Q232-S236 PolarHBondContact O-OG 3.49Å
233	Y	38.4	Very low	36.2	Very low	185 Å²	185	129 Å²	129	73%	0.725	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-17.6	-176.6	-102.9	-86.3	0	0	0	115.4
234	E	35	Very low	36.7	Very low	189 Å²	189	126 Å²	126	88%	0.883	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-32.6	178.7	-91.3	-174.4	147	0	0	114.6	Q232 S236	Q232-E234 VanDerWaalsContact C-N 3.27Å; Q232-E234 PolarHBondContact O-N 3.48Å; E234-S236 PolarHBondContact O-N 3.32Å
235	Q	37.2	Very low	37.7	Very low	128 Å²	128	128.4 Å²	128.4	60%	0.598	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-11.1	178.4	-162.9	158.8	8.2	0	0	112.8
236	S	38.4	Very low	38.2	Very low	55 Å²	55	123.3 Å²	123.3	39%	0.385	61%	0.614	S	S	.	*	H	α-helix	trans	-78.4	-19.6	-175.1	-61.5	0	0	0	0	113.8	Q232 E234 L240	Q232-S236 PolarHBondContact O-OG 3.49Å; E234-S236 PolarHBondContact O-N 3.32Å; S236-L240 WeakPolarHBondContact O-CB 3.43Å; S236-L240 PolarHBondContact O-N 2.94Å
237	Q	38.6	Very low	39.2	Very low	133 Å²	133	124.9 Å²	124.9	62%	0.621	61%	0.611	S	S	*	*	H	α-helix	trans	-75.2	-41.3	-178.2	-69	-89.8	18.3	0	0	112.6	L240 I241	Q237-L240 WeakPolarHBondContact O-CB 3.5Å; Q237-L240 PolarHBondContact O-N 3.04Å; Q237-I241 PolarHBondContact O-N 2.92Å
238	D	38.3	Very low	40.1	Very low	121 Å²	121	123.7 Å²	123.7	65%	0.647	60%	0.603	S	S	*	*	H	α-helix	trans	-68.4	-36.4	178.1	-84.8	-27.4	0	0	0	112.2	L240 I241 Q242	D238-L240 VanDerWaalsContact C-N 3.32Å; D238-L240 PolarHBondContact O-N 3.28Å; D238-I241 PolarHBondContact O-N 2.75Å; D238-Q242 PolarHBondContact O-N 2.89Å; D238-Q242 VanDerWaalsContact O-N 3.12Å
239	L	40.2	Very low	40.7	Very low	91 Å²	91	120.4 Å²	120.4	48%	0.476	59%	0.594	S	S	.	*	H	α-helix	trans	-66.2	-33.9	173	-77.2	170.1	0	0	0	112	I241 Q242 L243	L239-I241 VanDerWaalsContact C-N 3.34Å; L239-I241 PolarHBondContact O-N 3.3Å; L239-Q242 PolarHBondContact O-N 3.33Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 VanDerWaalsContact O-CG 3.25Å; L239-L243 WeakPolarHBondContact O-CG 3.36Å; L239-L243 PolarHBondContact O-N 2.99Å
240	L	37.3	Very low	41.3	Very low	67 Å²	67	117.9 Å²	117.9	35%	0.351	57%	0.574	S	S	.	*	H	α-helix	trans	-65.8	-35	176.1	-130.2	155.4	0	0	0	112.2	S236 Q237 D238 L243 K244	S236-L240 WeakPolarHBondContact O-CB 3.43Å; S236-L240 PolarHBondContact O-N 2.94Å; Q237-L240 WeakPolarHBondContact O-CB 3.5Å; Q237-L240 PolarHBondContact O-N 3.04Å; D238-L240 VanDerWaalsContact C-N 3.32Å; D238-L240 PolarHBondContact O-N 3.28Å; L240-L243 PolarHBondContact O-N 3.44Å; L240-K244 PolarHBondContact O-N 3.47Å
241	I	43.4	Very low	41.7	Very low	116 Å²	116	116 Å²	116	60%	0.595	56%	0.56	S	S	*	*	H	α-helix	trans	-71.2	-44	175.3	-65.2	169.1	0	0	0	110.7	Q237 D238 L239 L243 K245	Q237-I241 PolarHBondContact O-N 2.92Å; D238-I241 PolarHBondContact O-N 2.75Å; L239-I241 VanDerWaalsContact C-N 3.34Å; L239-I241 PolarHBondContact O-N 3.3Å; I241-L243 VanDerWaalsContact C-N 3.25Å; I241-L243 PolarHBondContact O-N 2.93Å; I241-K245 PolarHBondContact O-N 2.99Å
242	Q	41.6	Very low	41.9	Very low	124 Å²	124	115.6 Å²	115.6	58%	0.579	56%	0.56	S	S	*	*	H	α-helix	trans	-60.2	-37.8	173	-83.9	-174	-27.3	0	0	111.5	D238 L239 K245 T246	D238-Q242 PolarHBondContact O-N 2.89Å; D238-Q242 VanDerWaalsContact O-N 3.12Å; L239-Q242 PolarHBondContact O-N 3.33Å; Q242-K245 WeakPolarHBondContact O-CA 3.36Å; Q242-K245 VanDerWaalsContact O-CB 3.25Å; Q242-K245 WeakPolarHBondContact O-CB 3.15Å; Q242-K245 PolarHBondContact O-N 3.28Å; Q242-T246 PolarHBondContact O-N 2.91Å
243	L	40.8	Very low	42.1	Very low	64 Å²	64	115.4 Å²	115.4	34%	0.335	56%	0.562	S	S	.	*	H	α-helix	trans	-76.4	-34.3	-177.4	-74.9	169.1	0	0	0	113.8	Q173 L239 L240 I241 K245 T246 E247	Q173-L243 HydrophobicContact CG-CD1 4.33Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 VanDerWaalsContact O-CG 3.25Å; L239-L243 WeakPolarHBondContact O-CG 3.36Å; L239-L243 PolarHBondContact O-N 2.99Å; L240-L243 PolarHBondContact O-N 3.44Å; I241-L243 VanDerWaalsContact C-N 3.25Å; I241-L243 PolarHBondContact O-N 2.93Å; L243-K245 PolarHBondContact O-N 3.39Å; L243-T246 VanDerWaalsContact CA-OG1 3.26Å; L243-T246 WeakPolarHBondContact CA-OG1 3.31Å; L243-T246 WeakPolarHBondContact CD2-OG1 3.32Å; L243-T246 CarbonylContact O-C 3.55Å; L243-T246 PolarHBondContact O-N 2.97Å; L243-T246 VanDerWaalsContact O-N 3.08Å; L243-T246 PolarHBondContact O-OG1 3.32Å; L243-E247 PolarHBondContact O-N 3.19Å
244	K	45.2	Very low	42.3	Very low	139 Å²	139	110.6 Å²	110.6	60%	0.604	55%	0.548	S	S	*	.	H	α-helix	trans	-60.6	-33.8	167.2	-78.2	-176.4	178.9	-177	0	111.7	L240 K248	L240-K244 PolarHBondContact O-N 3.47Å; K244-K248 VanDerWaalsContact O-CB 3.3Å; K244-K248 WeakPolarHBondContact O-CB 3.36Å; K244-K248 PolarHBondContact O-N 2.97Å
245	K	50.6	Low	42.2	Very low	164 Å²	164	106.1 Å²	106.1	71%	0.713	54%	0.537	S	S	*	.	H	α-helix	trans	-68.1	-38.9	173.3	-161.1	177.2	-178.5	-179.6	0	111.1	I241 Q242 L243 F249	I241-K245 PolarHBondContact O-N 2.99Å; Q242-K245 WeakPolarHBondContact O-CA 3.36Å; Q242-K245 VanDerWaalsContact O-CB 3.25Å; Q242-K245 WeakPolarHBondContact O-CB 3.15Å; Q242-K245 PolarHBondContact O-N 3.28Å; L243-K245 PolarHBondContact O-N 3.39Å; K245-F249 WeakPolarHBondContact O-CB 3.26Å; K245-F249 PolarHBondContact O-N 3.11Å
246	T	45.3	Very low	42.2	Very low	65 Å²	65	105.3 Å²	105.3	40%	0.399	54%	0.543	S	S	.	.	H	α-helix	trans	-74	-35.7	176	59.9	0	0	0	0	113.6	Q242 L243 K248 F249 M250	Q242-T246 PolarHBondContact O-N 2.91Å; L243-T246 VanDerWaalsContact CA-OG1 3.26Å; L243-T246 WeakPolarHBondContact CA-OG1 3.31Å; L243-T246 WeakPolarHBondContact CD2-OG1 3.32Å; L243-T246 CarbonylContact O-C 3.55Å; L243-T246 PolarHBondContact O-N 2.97Å; L243-T246 VanDerWaalsContact O-N 3.08Å; L243-T246 PolarHBondContact O-OG1 3.32Å; T246-K248 VanDerWaalsContact C-N 3.34Å; T246-F249 PolarHBondContact O-N 2.89Å; T246-M250 VanDerWaalsContact O-CB 3.26Å; T246-M250 WeakPolarHBondContact O-CB 3.45Å; T246-M250 WeakPolarHBondContact O-CG 3.48Å; T246-M250 PolarHBondContact O-N 3.36Å
247	E	50.7	Low	42.1	Very low	129 Å²	129	110.8 Å²	110.8	60%	0.603	57%	0.568	S	S	*	*	H	α-helix	trans	-63.5	-43.1	172.4	-87.1	-172.2	146.8	0	0	110.4	L243 M250 S251	L243-E247 PolarHBondContact O-N 3.19Å; E247-M250 PolarHBondContact O-N 3.1Å; E247-S251 WeakPolarHBondContact O-CB 3.27Å; E247-S251 PolarHBondContact O-N 2.8Å; E247-S251 PolarHBondContact O-OG 3.47Å; E247-S251 VanDerWaalsContact O-OG 3.08Å
248	K	52.4	Low	41.7	Very low	144 Å²	144	110.8 Å²	110.8	63%	0.626	57%	0.572	S	S	*	*	H	α-helix	trans	-67.1	-36.2	175.6	-160	171.9	-172.3	179.3	0	112.5	K244 T246 S251 N252	K244-K248 VanDerWaalsContact O-CB 3.3Å; K244-K248 WeakPolarHBondContact O-CB 3.36Å; K244-K248 PolarHBondContact O-N 2.97Å; T246-K248 VanDerWaalsContact C-N 3.34Å; K248-S251 VanDerWaalsContact CA-OG 3.25Å; K248-S251 WeakPolarHBondContact CA-OG 3.5Å; K248-S251 PolarHBondContact O-OG 3.1Å; K248-N252 WeakPolarHBondContact O-CB 3.37Å; K248-N252 PolarHBondContact O-N 2.98Å; K248-N252 PolarHBondContact O-ND2 2.9Å; K248-N252 PolarHBondContact O-OD1 3.47Å
249	F	43.4	Very low	41.3	Very low	137 Å²	137	111.1 Å²	111.1	60%	0.601	58%	0.583	S	S	*	*	H	α-helix	trans	-68.4	-42.7	175.1	-173.8	-108	0	0	0	111.4	K245 T246 N252 L253	K245-F249 WeakPolarHBondContact O-CB 3.26Å; K245-F249 PolarHBondContact O-N 3.11Å; T246-F249 PolarHBondContact O-N 2.89Å; F249-N252 PolarHBondContact O-N 2.95Å; F249-L253 HydrophobicContact CD1-CD1 3.53Å; F249-L253 HydrophobicContact CE1-CD1 3.37Å; F249-L253 HydrophobicContact CE1-CG 4.42Å; F249-L253 HydrophobicContact CG-CD1 4.25Å; F249-L253 HydrophobicContact CZ-CD1 3.95Å; F249-L253 WeakPolarHBondContact O-CD1 3.5Å; F249-L253 WeakPolarHBondContact O-CG 3.19Å; F249-L253 PolarHBondContact O-N 3.01Å
250	M	44	Very low	40.7	Very low	77 Å²	77	112.3 Å²	112.3	38%	0.379	59%	0.59	S	S	.	*	H	α-helix	trans	-68.5	-40.4	176.1	-71.1	-76.1	-79.9	0	0	111.3	T246 E247 N252 L253 I254	T246-M250 VanDerWaalsContact O-CB 3.26Å; T246-M250 WeakPolarHBondContact O-CB 3.45Å; T246-M250 WeakPolarHBondContact O-CG 3.48Å; T246-M250 PolarHBondContact O-N 3.36Å; E247-M250 PolarHBondContact O-N 3.1Å; M250-N252 VanDerWaalsContact C-N 3.29Å; M250-N252 PolarHBondContact O-N 2.74Å; M250-L253 PolarHBondContact O-N 2.94Å; M250-L253 HydrophobicContact SD-CD1 4.44Å; M250-I254 WeakPolarHBondContact O-CB 3.21Å; M250-I254 WeakPolarHBondContact O-CD1 3.48Å; M250-I254 WeakPolarHBondContact O-CG1 3.35Å; M250-I254 PolarHBondContact O-N 3.29Å; M250-I254 VanDerWaalsContact O-N 3.09Å
251	S	44	Very low	40.6	Very low	64 Å²	64	116.3 Å²	116.3	45%	0.448	61%	0.611	S	S	.	*	H	α-helix	trans	-64.3	-33.8	173.8	60.5	0	0	0	0	112.3	E247 K248 I254 S255	E247-S251 WeakPolarHBondContact O-CB 3.27Å; E247-S251 PolarHBondContact O-N 2.8Å; E247-S251 PolarHBondContact O-OG 3.47Å; E247-S251 VanDerWaalsContact O-OG 3.08Å; K248-S251 VanDerWaalsContact CA-OG 3.25Å; K248-S251 WeakPolarHBondContact CA-OG 3.5Å; K248-S251 PolarHBondContact O-OG 3.1Å; S251-I254 PolarHBondContact O-N 2.92Å; S251-S255 PolarHBondContact O-N 2.89Å
252	N	40.2	Very low	40.1	Very low	116 Å²	116	118.8 Å²	118.8	62%	0.62	62%	0.62	S	S	*	*	H	α-helix	trans	-73.8	-28.5	174.5	-72	-11.4	0	0	0	113.1	K248 F249 M250	K248-N252 WeakPolarHBondContact O-CB 3.37Å; K248-N252 PolarHBondContact O-N 2.98Å; K248-N252 PolarHBondContact O-ND2 2.9Å; K248-N252 PolarHBondContact O-OD1 3.47Å; F249-N252 PolarHBondContact O-N 2.95Å; M250-N252 VanDerWaalsContact C-N 3.29Å; M250-N252 PolarHBondContact O-N 2.74Å
253	L	38.9	Very low	39.7	Very low	116 Å²	116	118.3 Å²	118.3	61%	0.607	63%	0.626	S	S	*	*	H	α-helix	trans	-76	-13.8	171.3	-74.6	160	0	0	0	112.7	F249 M250	F249-L253 HydrophobicContact CD1-CD1 3.53Å; F249-L253 HydrophobicContact CE1-CD1 3.37Å; F249-L253 HydrophobicContact CE1-CG 4.42Å; F249-L253 HydrophobicContact CG-CD1 4.25Å; F249-L253 HydrophobicContact CZ-CD1 3.95Å; F249-L253 WeakPolarHBondContact O-CD1 3.5Å; F249-L253 WeakPolarHBondContact O-CG 3.19Å; F249-L253 PolarHBondContact O-N 3.01Å; M250-L253 PolarHBondContact O-N 2.94Å; M250-L253 HydrophobicContact SD-CD1 4.44Å
254	I	42.5	Very low	39.3	Very low	84 Å²	84	120 Å²	120	43%	0.431	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.3	2.4	-176.1	-69.4	165.2	0	0	0	112.1	M250 S251 P256	M250-I254 WeakPolarHBondContact O-CB 3.21Å; M250-I254 WeakPolarHBondContact O-CD1 3.48Å; M250-I254 WeakPolarHBondContact O-CG1 3.35Å; M250-I254 PolarHBondContact O-N 3.29Å; M250-I254 VanDerWaalsContact O-N 3.09Å; S251-I254 PolarHBondContact O-N 2.92Å; I254-P256 VanDerWaalsContact O-CD 3.23Å; I254-P256 WeakPolarHBondContact O-CD 3.13Å
255	S	33.4	Very low	38.6	Very low	94 Å²	94	121 Å²	121	66%	0.657	65%	0.654	S	S	*	*			trans	-80.1	114.2	176.8	-138.7	0	0	0	0	110.9	S251	S251-S255 PolarHBondContact O-N 2.89Å
256	P	37.9	Very low	37.6	Very low	111 Å²	111	118.7 Å²	118.7	72%	0.721	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-69.9	142	165	-0.1	19	0	0	0	107.7	I254 N258	I254-P256 VanDerWaalsContact O-CD 3.23Å; I254-P256 WeakPolarHBondContact O-CD 3.13Å; P256-N258 PolarHBondContact O-N 2.69Å
257	N	35.2	Very low	36.8	Very low	170 Å²	170	122 Å²	122	91%	0.909	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-50.5	127.7	173.3	-76.2	-37.3	0	0	0	110.8
258	N	30.5	Very low	35.6	Very low	133 Å²	133	120.9 Å²	120.9	71%	0.711	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-64	123	-175.8	-161	12.4	0	0	0	111.4	P256 N260	P256-N258 PolarHBondContact O-N 2.69Å; N258-N260 PolarHBondContact OD1-OD1 3.1Å
259	C	29.3	Very low	34.5	Very low	129 Å²	129	118.4 Å²	118.4	87%	0.872	69%	0.687	S	S	*	*			trans	-143.6	110	152.1	-123.1	0	0	0	0	107.5
260	N	29	Very low	33.8	Very low	116 Å²	116	121.7 Å²	121.7	62%	0.62	70%	0.696	S	S	*	*			trans	-65.3	143	179.4	-52.5	-56.4	0	0	0	110.6	N258	N258-N260 PolarHBondContact OD1-OD1 3.1Å
261	D	33.9	Very low	33.2	Very low	150 Å²	150	125 Å²	125	80%	0.802	72%	0.716	S	S	*	*				176.4	104.2	114.4	-84.3	-19.5	0	0	0	110.1
262	E	33.2	Very low	32.4	Very low	168 Å²	168	127 Å²	127	79%	0.785	73%	0.729	S	S	*	*			trans	36.1	136.9	135	-66.7	-81.8	125	0	0	121.6
263	T	34	Very low	31.9	Very low	115 Å²	115	128.9 Å²	128.9	71%	0.706	74%	0.739	S	S	*	*			trans	86.4	101.4	142.9	44.5	0	0	0	0	121.3
264	S	32.2	Very low	31.4	Very low	99 Å²	99	128.4 Å²	128.4	69%	0.692	75%	0.745	S	S	*	*				99.7	115.8	120.2	74.3	0	0	0	0	119.8
265	L	29.3	Very low	31	Very low	159 Å²	159	131.2 Å²	131.2	83%	0.832	76%	0.76	S	S	*	*			trans	58.1	111.8	134.9	-68.3	156.3	0	0	0	118.3
266	S	31.2	Very low	31	Very low	116 Å²	116	131.8 Å²	131.8	81%	0.811	77%	0.765	S	S	*	*				146.3	135.2	111.8	-59.3	0	0	0	0	112.8
267	T	27.6	Very low	30.8	Very low	134 Å²	134	136 Å²	136	82%	0.822	77%	0.774	S	S	*	*			trans	-67.7	156.5	176.5	48.8	0	0	0	0	114.4
268	S	26.3	Very low	31	Very low	107 Å²	107	136 Å²	136	75%	0.748	77%	0.769	S	S	*	*			trans	104.3	120.5	152.8	103.6	0	0	0	0	117.7
269	S	28.1	Very low	31.3	Very low	92 Å²	92	137.7 Å²	137.7	64%	0.643	78%	0.778	S	S	*	*			trans	65.8	125	132.9	-66.3	0	0	0	0	120
270	Y	28.5	Very low	31.8	Very low	205 Å²	205	138.7 Å²	138.7	80%	0.804	78%	0.775	S	S	*	*			trans	64.5	112.3	165	-53.4	-77.3	0	0	0	115.3
271	N	30.9	Very low	32.8	Very low	147 Å²	147	136.4 Å²	136.4	79%	0.786	78%	0.779	S	S	*	*				179.6	133.2	103	-91.8	-45.8	0	0	0	110.5	L273	N271-L273 PolarHBondContact O-N 3.39Å
272	S	28.5	Very low	33.4	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	78%	0.778	S	S	*	*			trans	7.5	109.6	139	-161.1	0	0	0	0	113.8	S274	S272-S274 PolarHBondContact O-N 2.89Å
273	L	29.9	Very low	34.4	Very low	156 Å²	156	138.9 Å²	138.9	82%	0.817	78%	0.78	S	S	*	*			trans	-58.5	92.9	160.9	-95.9	87.9	0	0	0	107.2	N271 L275	N271-L273 PolarHBondContact O-N 3.39Å; L273-L275 HydrophobicContact CB-CD1 4.41Å; L273-L275 HydrophobicContact CD2-CD1 3.99Å; L273-L275 PolarHBondContact O-N 3.38Å
274	S	28.9	Very low	35.3	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	78%	0.784	S	S	*	*			trans	-65.1	87.9	150.9	57.8	0	0	0	0	105.7	S272 S276	S272-S274 PolarHBondContact O-N 2.89Å; S274-S276 PolarHBondContact O-N 3.1Å
275	L	32.6	Very low	36.3	Very low	142 Å²	142	144 Å²	144	74%	0.743	79%	0.786	S	S	*	*			trans	-55.5	112.8	159.5	-117.3	83.4	0	0	0	106	L273 E277	L273-L275 HydrophobicContact CB-CD1 4.41Å; L273-L275 HydrophobicContact CD2-CD1 3.99Å; L273-L275 PolarHBondContact O-N 3.38Å; L275-E277 PolarHBondContact O-N 3.06Å
276	S	34.8	Very low	37.6	Very low	107 Å²	107	150.8 Å²	150.8	75%	0.748	80%	0.801	S	S	*	*			trans	-39.4	131.2	165.1	-29.3	0	0	0	0	109.3	S274 E278	S274-S276 PolarHBondContact O-N 3.1Å; S276-E278 PolarHBondContact O-N 2.71Å
277	E	32.5	Very low	37.9	Very low	198 Å²	198	152.5 Å²	152.5	93%	0.925	80%	0.801	S	S	*	*			trans	-61.2	76.9	175.7	-64.9	173.8	135.4	0	0	111	L275	L275-E277 PolarHBondContact O-N 3.06Å
278	E	40.2	Very low	38.4	Very low	172 Å²	172	153.5 Å²	153.5	80%	0.804	80%	0.799	S	S	*	*			trans	-105.6	88.5	155.3	-76	-163.6	158.7	0	0	108	S276 D280	S276-E278 PolarHBondContact O-N 2.71Å; E278-D280 PolarHBondContact O-N 2.89Å
279	N	36.3	Very low	39.1	Very low	167 Å²	167	156.1 Å²	156.1	89%	0.893	80%	0.802	S	S	*	*			trans	-71	61.5	175.6	-158.5	6.6	0	0	0	109.8
280	D	39.4	Very low	39.8	Very low	151 Å²	151	159.8 Å²	159.8	81%	0.807	81%	0.812	S	S	*	*			trans	-120.3	110.3	178.9	-101	-23.4	0	0	0	111.3	E278	E278-D280 PolarHBondContact O-N 2.89Å
281	G	49.7	Very low	40.5	Very low	68 Å²	68	157 Å²	157	70%	0.701	81%	0.812	S	S	*	*			trans	95.9	7.2	150.9	0	0	0	0	0	118.4	W283	G281-W283 PolarHBondContact O-N 3.3Å
282	L	47	Very low	41.1	Very low	152 Å²	152	157.7 Å²	157.7	80%	0.796	81%	0.814	S	S	*	*			trans	-64.3	100.9	169.4	-147.6	82.1	0	0	0	108.7	R284	L282-R284 PolarHBondContact O-N 3.13Å
283	W	53.6	Low	42	Very low	218 Å²	218	161.4 Å²	161.4	83%	0.826	82%	0.82	S	S	*	*			trans	-48	112.2	176.3	-103.6	86.3	0	0	0	109.5	G281	G281-W283 PolarHBondContact O-N 3.3Å
284	R	53.9	Low	42.9	Very low	205 Å²	205	161.8 Å²	161.8	77%	0.774	82%	0.82	S	S	*	*			trans	-101.1	125.6	167.4	-71.3	-174	176.7	-87.7	-0.9	107.8	L282	L282-R284 PolarHBondContact O-N 3.13Å
285	P	52.7	Low	44.1	Very low	115 Å²	115	166.4 Å²	166.4	75%	0.747	83%	0.826	S	S	*	*			trans	-55.2	144.3	165	-15.1	28.2	0	0	0	108.5
286	W	56.7	Low	45.2	Very low	302 Å²	302	168.6 Å²	168.6	100%	1.144	83%	0.833	S	S	*	*			trans	-60	0	174.3	54.8	67.9	0	0	0	112.1

Retrieved 286 of 286 residues in 118.2 ms (Link to these results)

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