A0A096NSA6_PAPAN Loading...

AarF domain-containing protein kinase 1

Appears to be essential for maintaining mitochondrial cristae formation and mitochondrial function by acting via YME1L1 in a kinase-independent manner to regulate essential mitochondrial structural proteins OPA1 and IMMT. The action of this enzyme is not yet clear. It is not known if it has protein kinase activity and what type of substrate it would phosphorylate (Ser, Thr or Tyr).

AlphaFold DB , UniProt , Accession A0A096NSA6, Species PAPAN (Papio anubis, Olive baboon), Gene ADCK1, Length 523 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.7	Very low	40.5	Very low	216 Å²	216	131.9 Å²	131.9	100%	1.064	67%	0.669	S	S	*	*				0	-41.2	0	-71.9	-164	-83.6	0	0	113.5	R3 K4 A5	M1-R3 PolarHBondContact O-N 3.44Å; M1-K4 PolarHBondContact O-N 3.5Å; M1-K4 VanDerWaalsContact O-N 3.12Å; M1-A5 PolarHBondContact O-N 3.46Å
2	A	39.2	Very low	41	Very low	82 Å²	82	127 Å²	127	68%	0.678	65%	0.65	S	S	*	*	H	α-helix	trans	-54.8	-40.2	-179.6	0	0	0	0	0	115.8	K4 A5 L6	A2-K4 VanDerWaalsContact C-N 3.34Å; A2-K4 PolarHBondContact O-N 2.66Å; A2-A5 PolarHBondContact O-N 2.85Å; A2-L6 PolarHBondContact O-N 3.48Å
3	R	39.7	Very low	41.1	Very low	227 Å²	227	122.8 Å²	122.8	86%	0.857	64%	0.639	S	S	*	*	H	α-helix	trans	-66.3	-27.6	177.2	-84.3	-177.6	175.1	171.4	-1.3	114.6	M1 K7	M1-R3 PolarHBondContact O-N 3.44Å; R3-K7 PolarHBondContact O-N 3.23Å
4	K	38.4	Very low	41.5	Very low	176 Å²	176	122 Å²	122	77%	0.765	63%	0.633	S	S	*	*	H	α-helix	trans	-77.7	-38.3	176.1	-78.2	-173.5	176.6	-177.6	0	111.1	M1 A2 K7 L8	M1-K4 PolarHBondContact O-N 3.5Å; M1-K4 VanDerWaalsContact O-N 3.12Å; A2-K4 VanDerWaalsContact C-N 3.34Å; A2-K4 PolarHBondContact O-N 2.66Å; K4-K7 PolarHBondContact O-N 2.84Å; K4-L8 PolarHBondContact O-N 2.84Å
5	A	34.7	Very low	42.1	Very low	65 Å²	65	117.5 Å²	117.5	54%	0.537	62%	0.62	S	S	.	*	H	α-helix	trans	-64.2	-41.7	173.7	0	0	0	0	0	112	M1 A2 K7 L8 A9	M1-A5 PolarHBondContact O-N 3.46Å; A2-A5 PolarHBondContact O-N 2.85Å; A5-K7 PolarHBondContact O-N 3.44Å; A5-L8 PolarHBondContact O-N 2.84Å; A5-A9 WeakPolarHBondContact O-CB 3.26Å; A5-A9 PolarHBondContact O-N 2.92Å
6	L	37.1	Very low	42.5	Very low	136 Å²	136	118.1 Å²	118.1	71%	0.712	62%	0.623	S	S	*	*	H	α-helix	trans	-64.7	-38.6	177.2	-139.2	96	0	0	0	112.6	A2 S10	A2-L6 PolarHBondContact O-N 3.48Å; L6-S10 PolarHBondContact O-N 3.37Å
7	K	39.8	Very low	42.9	Very low	143 Å²	143	114.2 Å²	114.2	62%	0.622	61%	0.612	S	S	*	*	H	α-helix	trans	-63.1	-50.4	173.1	-79.8	-174.8	175.2	-172.4	0	110.4	R3 K4 A5 A9 S10 W11	R3-K7 PolarHBondContact O-N 3.23Å; K4-K7 PolarHBondContact O-N 2.84Å; A5-K7 PolarHBondContact O-N 3.44Å; K7-A9 VanDerWaalsContact C-N 3.28Å; K7-A9 PolarHBondContact O-N 3.46Å; K7-S10 PolarHBondContact O-N 2.76Å; K7-S10 PolarHBondContact O-OG 2.72Å; K7-W11 PolarHBondContact O-N 2.66Å
8	L	38.4	Very low	43.3	Very low	125 Å²	125	111.2 Å²	111.2	65%	0.654	61%	0.605	S	S	*	*	H	α-helix	trans	-57.8	-40.4	178.8	-130	97.6	0	0	0	112.5	K4 A5 W11 T12	K4-L8 PolarHBondContact O-N 2.84Å; A5-L8 PolarHBondContact O-N 2.84Å; L8-W11 PolarHBondContact O-N 3.14Å; L8-T12 WeakPolarHBondContact O-CB 3.26Å; L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 3.06Å; L8-T12 PolarHBondContact O-OG1 2.94Å
9	A	38.9	Very low	43.5	Very low	48 Å²	48	108.5 Å²	108.5	40%	0.397	60%	0.596	S	S	.	*	H	α-helix	trans	-63.5	-38.1	174	0	0	0	0	0	112.2	A5 K7 T12 S13	A5-A9 WeakPolarHBondContact O-CB 3.26Å; A5-A9 PolarHBondContact O-N 2.92Å; K7-A9 VanDerWaalsContact C-N 3.28Å; K7-A9 PolarHBondContact O-N 3.46Å; A9-T12 VanDerWaalsContact CA-OG1 3.25Å; A9-T12 WeakPolarHBondContact CA-OG1 3.25Å; A9-T12 PolarHBondContact O-OG1 3.28Å; A9-S13 VanDerWaalsContact O-CB 3.26Å; A9-S13 WeakPolarHBondContact O-CB 3.33Å; A9-S13 PolarHBondContact O-N 3.36Å; A9-S13 PolarHBondContact O-OG 3.3Å
10	S	47.6	Very low	43.5	Very low	58 Å²	58	104.9 Å²	104.9	41%	0.406	58%	0.584	S	S	.	*	H	α-helix	trans	-69.9	-39.1	176	79.2	0	0	0	0	112.7	L6 K7 S13 M14	L6-S10 PolarHBondContact O-N 3.37Å; K7-S10 PolarHBondContact O-N 2.76Å; K7-S10 PolarHBondContact O-OG 2.72Å; S10-S13 PolarHBondContact O-N 3.38Å; S10-M14 WeakPolarHBondContact O-CB 3.47Å; S10-M14 PolarHBondContact O-N 3.29Å
11	W	45.6	Very low	43.8	Very low	175 Å²	175	105.6 Å²	105.6	66%	0.663	59%	0.586	S	S	*	*	H	α-helix	trans	-67.1	-41.1	176.8	-74.9	99.4	0	0	0	111.6	K7 L8 M14 A15	K7-W11 PolarHBondContact O-N 2.66Å; L8-W11 PolarHBondContact O-N 3.14Å; W11-M14 HydrophobicContact CD2-CE 4.29Å; W11-M14 HydrophobicContact CE3-CE 4.08Å; W11-M14 HydrophobicContact CZ3-CE 4.47Å; W11-M14 PolarHBondContact O-N 2.91Å; W11-A15 VanDerWaalsContact O-CB 3.28Å; W11-A15 WeakPolarHBondContact O-CB 3.29Å; W11-A15 PolarHBondContact O-N 3.22Å
12	T	46.3	Very low	44	Very low	73 Å²	73	102.3 Å²	102.3	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-67.7	-41.1	175.4	44.3	0	0	0	0	112	L8 A9 M14 A15 L16	L8-T12 WeakPolarHBondContact O-CB 3.26Å; L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 3.06Å; L8-T12 PolarHBondContact O-OG1 2.94Å; A9-T12 VanDerWaalsContact CA-OG1 3.25Å; A9-T12 WeakPolarHBondContact CA-OG1 3.25Å; A9-T12 PolarHBondContact O-OG1 3.28Å; T12-M14 VanDerWaalsContact C-N 3.35Å; T12-M14 PolarHBondContact O-N 3.47Å; T12-A15 PolarHBondContact O-N 3.37Å; T12-L16 WeakPolarHBondContact O-CB 3.41Å; T12-L16 VanDerWaalsContact O-CG 3.26Å; T12-L16 WeakPolarHBondContact O-CG 3.25Å; T12-L16 PolarHBondContact O-N 2.93Å
13	S	42.4	Very low	44.3	Very low	73 Å²	73	102.1 Å²	102.1	51%	0.51	55%	0.55	S	S	.	.	H	α-helix	trans	-64.6	-39	175.5	-57.5	0	0	0	0	112.2	A9 S10 L16 A17	A9-S13 VanDerWaalsContact O-CB 3.26Å; A9-S13 WeakPolarHBondContact O-CB 3.33Å; A9-S13 PolarHBondContact O-N 3.36Å; A9-S13 PolarHBondContact O-OG 3.3Å; S10-S13 PolarHBondContact O-N 3.38Å; S13-L16 PolarHBondContact O-N 3.02Å; S13-A17 VanDerWaalsContact O-CB 3.29Å; S13-A17 WeakPolarHBondContact O-CB 3.48Å; S13-A17 PolarHBondContact O-N 3.33Å
14	M	45.9	Very low	44.6	Very low	111 Å²	111	100.1 Å²	100.1	55%	0.547	54%	0.543	S	S	.	.	H	α-helix	trans	-73.4	-35.4	178.3	-166.1	166.2	43.6	0	0	111.9	S10 W11 T12 A17 A18	S10-M14 WeakPolarHBondContact O-CB 3.47Å; S10-M14 PolarHBondContact O-N 3.29Å; W11-M14 HydrophobicContact CD2-CE 4.29Å; W11-M14 HydrophobicContact CE3-CE 4.08Å; W11-M14 HydrophobicContact CZ3-CE 4.47Å; W11-M14 PolarHBondContact O-N 2.91Å; T12-M14 VanDerWaalsContact C-N 3.35Å; T12-M14 PolarHBondContact O-N 3.47Å; M14-A17 PolarHBondContact O-N 2.76Å; M14-A18 VanDerWaalsContact O-CB 3.29Å; M14-A18 WeakPolarHBondContact O-CB 3.3Å; M14-A18 PolarHBondContact O-N 3.45Å
15	A	51	Low	45	Very low	54 Å²	54	96.2 Å²	96.2	45%	0.446	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-39.6	170.8	0	0	0	0	0	111.9	W11 T12 S19	W11-A15 VanDerWaalsContact O-CB 3.28Å; W11-A15 WeakPolarHBondContact O-CB 3.29Å; W11-A15 PolarHBondContact O-N 3.22Å; T12-A15 PolarHBondContact O-N 3.37Å; A15-S19 VanDerWaalsContact O-CB 3.25Å; A15-S19 WeakPolarHBondContact O-CB 3.4Å; A15-S19 PolarHBondContact O-N 2.96Å; A15-S19 PolarHBondContact O-OG 3Å
16	L	48.7	Very low	45.6	Very low	127 Å²	127	96.4 Å²	96.4	67%	0.665	53%	0.53	S	S	*	.	H	α-helix	trans	-67.8	-38.9	174.5	-76.2	165.8	0	0	0	111.9	T12 S13 S19 G20	T12-L16 WeakPolarHBondContact O-CB 3.41Å; T12-L16 VanDerWaalsContact O-CG 3.26Å; T12-L16 WeakPolarHBondContact O-CG 3.25Å; T12-L16 PolarHBondContact O-N 2.93Å; S13-L16 PolarHBondContact O-N 3.02Å; L16-S19 PolarHBondContact O-N 2.95Å; L16-G20 PolarHBondContact O-N 2.98Å
17	A	49.2	Very low	45.9	Very low	52 Å²	52	97.9 Å²	97.9	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-68.6	-43	175.4	0	0	0	0	0	112	S13 M14 S19 G20 I21	S13-A17 VanDerWaalsContact O-CB 3.29Å; S13-A17 WeakPolarHBondContact O-CB 3.48Å; S13-A17 PolarHBondContact O-N 3.33Å; M14-A17 PolarHBondContact O-N 2.76Å; A17-S19 VanDerWaalsContact C-N 3.34Å; A17-S19 PolarHBondContact O-N 3.42Å; A17-G20 PolarHBondContact O-N 3Å; A17-I21 WeakPolarHBondContact O-CB 3.18Å; A17-I21 VanDerWaalsContact O-CG1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.28Å; A17-I21 PolarHBondContact O-N 2.93Å
18	A	49.2	Very low	46.5	Very low	60 Å²	60	99 Å²	99	50%	0.496	53%	0.532	S	S	.	.	H	α-helix	trans	-63.8	-40.1	174.1	0	0	0	0	0	111.7	M14 I21 Y22	M14-A18 VanDerWaalsContact O-CB 3.29Å; M14-A18 WeakPolarHBondContact O-CB 3.3Å; M14-A18 PolarHBondContact O-N 3.45Å; A18-I21 PolarHBondContact O-N 2.91Å; A18-Y22 VanDerWaalsContact O-CB 3.31Å; A18-Y22 WeakPolarHBondContact O-CB 3.26Å; A18-Y22 PolarHBondContact O-N 3.49Å
19	S	48.1	Very low	47.4	Very low	61 Å²	61	95.6 Å²	95.6	43%	0.427	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-40.5	173	-57.9	0	0	0	0	111.3	A15 L16 A17 Y22 L23	A15-S19 VanDerWaalsContact O-CB 3.25Å; A15-S19 WeakPolarHBondContact O-CB 3.4Å; A15-S19 PolarHBondContact O-N 2.96Å; A15-S19 PolarHBondContact O-OG 3Å; L16-S19 PolarHBondContact O-N 2.95Å; A17-S19 VanDerWaalsContact C-N 3.34Å; A17-S19 PolarHBondContact O-N 3.42Å; S19-Y22 PolarHBondContact O-N 2.88Å; S19-L23 VanDerWaalsContact O-CB 3.27Å; S19-L23 WeakPolarHBondContact O-CB 3.29Å; S19-L23 WeakPolarHBondContact O-CD1 3.33Å; S19-L23 WeakPolarHBondContact O-CG 3.31Å; S19-L23 PolarHBondContact O-N 2.75Å
20	G	44	Very low	48.5	Very low	35 Å²	35	95.4 Å²	95.4	36%	0.361	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-39.6	176.2	0	0	0	0	0	113.3	L16 A17 L23 Y24	L16-G20 PolarHBondContact O-N 2.98Å; A17-G20 PolarHBondContact O-N 3Å; G20-L23 PolarHBondContact O-N 3.42Å; G20-Y24 VanDerWaalsContact O-CB 3.25Å; G20-Y24 WeakPolarHBondContact O-CB 3.34Å; G20-Y24 PolarHBondContact O-N 3.48Å
21	I	49.6	Very low	49.3	Very low	121 Å²	121	96.6 Å²	96.6	62%	0.621	51%	0.513	S	S	*	.	H	α-helix	trans	-70.8	-39.4	175.6	-66.7	163.2	0	0	0	110.6	A17 A18 Y24 S25	A17-I21 WeakPolarHBondContact O-CB 3.18Å; A17-I21 VanDerWaalsContact O-CG1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.28Å; A17-I21 PolarHBondContact O-N 2.93Å; A18-I21 PolarHBondContact O-N 2.91Å; I21-Y24 PolarHBondContact O-N 3.4Å; I21-S25 WeakPolarHBondContact O-CB 3.25Å; I21-S25 PolarHBondContact O-N 2.87Å
22	Y	49.3	Very low	50.2	Low	147 Å²	147	91.4 Å²	91.4	58%	0.576	50%	0.499	S	S	*	.	H	α-helix	trans	-62.1	-42.8	171.6	-177.3	-96.7	0	0	0	112.1	A18 S19 N26 L29	A18-Y22 VanDerWaalsContact O-CB 3.31Å; A18-Y22 WeakPolarHBondContact O-CB 3.26Å; A18-Y22 PolarHBondContact O-N 3.49Å; S19-Y22 PolarHBondContact O-N 2.88Å; Y22-N26 PolarHBondContact O-N 2.87Å; Y22-N26 VanDerWaalsContact O-N 3.15Å; Y22-L29 HydrophobicContact CE1-CD1 4.2Å
23	L	47.4	Very low	51.3	Low	78 Å²	78	88.9 Å²	88.9	41%	0.408	48%	0.483	S	S	.	.	H	α-helix	trans	-66.6	-38.4	175.6	-73.7	164.1	0	0	0	112.3	S19 G20 N26 L29 F34	S19-L23 VanDerWaalsContact O-CB 3.27Å; S19-L23 WeakPolarHBondContact O-CB 3.29Å; S19-L23 WeakPolarHBondContact O-CD1 3.33Å; S19-L23 WeakPolarHBondContact O-CG 3.31Å; S19-L23 PolarHBondContact O-N 2.75Å; G20-L23 PolarHBondContact O-N 3.42Å; L23-N26 CarbonylContact O-C 3.48Å; L23-N26 PolarHBondContact O-N 2.68Å; L23-L29 HydrophobicContact CD2-CD1 3.73Å; L23-F34 HydrophobicContact CD2-CE1 4.06Å; L23-F34 HydrophobicContact CD2-CZ 3.83Å
24	Y	45.3	Very low	53	Low	184 Å²	184	89.6 Å²	89.6	72%	0.722	48%	0.477	S	S	*	.	H	α-helix	trans	-72.2	-34.3	178.4	-174.2	-100.9	0	0	0	112.4	G20 I21	G20-Y24 VanDerWaalsContact O-CB 3.25Å; G20-Y24 WeakPolarHBondContact O-CB 3.34Å; G20-Y24 PolarHBondContact O-N 3.48Å; I21-Y24 PolarHBondContact O-N 3.4Å
25	S	47	Very low	54.7	Low	95 Å²	95	86.6 Å²	86.6	66%	0.664	47%	0.474	S	S	*	.	H	α-helix	trans	-71	-28.5	174.4	-175.7	0	0	0	0	112.9	I21	I21-S25 WeakPolarHBondContact O-CB 3.25Å; I21-S25 PolarHBondContact O-N 2.87Å
26	N	47	Very low	56.3	Low	68 Å²	68	87.9 Å²	87.9	36%	0.364	49%	0.485	S	S	.	.			trans	-110.7	80.7	179.9	-90.3	-10.6	0	0	0	111.2	Y22 L23 Y28 L29	Y22-N26 PolarHBondContact O-N 2.87Å; Y22-N26 VanDerWaalsContact O-N 3.15Å; L23-N26 CarbonylContact O-C 3.48Å; L23-N26 PolarHBondContact O-N 2.68Å; N26-Y28 PolarHBondContact O-N 2.89Å; N26-L29 HydrophobicContact CB-CD1 3.95Å; N26-L29 HydrophobicContact CB-CG 4.19Å
27	K	44.1	Very low	58.2	Low	168 Å²	168	84.8 Å²	84.8	73%	0.73	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	9.6	177.8	-89.9	-175.6	174.6	179.9	0	116.4
28	Y	52.5	Low	60.1	Low	165 Å²	165	82.5 Å²	82.5	65%	0.647	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.5	34.4	-171.3	-64.9	-80.5	0	0	0	114.2	N26 D30	N26-Y28 PolarHBondContact O-N 2.89Å; Y28-D30 PolarHBondContact O-N 2.78Å
29	L	55.7	Low	62.1	Low	55 Å²	55	82.8 Å²	82.8	29%	0.288	45%	0.446	S	S	.	.			trans	-85.5	106.8	171.8	-73	162.9	0	0	0	109.8	Y22 L23 N26 P31	Y22-L29 HydrophobicContact CE1-CD1 4.2Å; L23-L29 HydrophobicContact CD2-CD1 3.73Å; N26-L29 HydrophobicContact CB-CD1 3.95Å; N26-L29 HydrophobicContact CB-CG 4.19Å; L29-P31 WeakPolarHBondContact O-CD 3.09Å
30	D	62.8	Low	64.3	Low	43 Å²	43	81.7 Å²	81.7	23%	0.23	45%	0.445	C	S	.	.			trans	-59.7	124.2	166.9	-178.7	-11.9	0	0	0	107.7	Y28 N32 D33 R90	Y28-D30 PolarHBondContact O-N 2.78Å; D30-N32 PolarHBondContact O-N 3.42Å; D30-N32 VanDerWaalsContact OD1-CB 3.27Å; D30-N32 WeakPolarHBondContact OD1-CB 3.27Å; D30-N32 PolarHBondContact OD1-N 2.83Å; D30-N32 PolarHBondContact OD1-ND2 3.48Å; D30-D33 WeakPolarHBondContact O-CB 3.21Å; D30-D33 PolarHBondContact O-N 3.15Å; D30-R90 IonicContact OD2-CZ 3.1Å; D30-R90 IonicContact OD2-NH1 2.66Å; D30-R90 PolarHBondContact OD2-NH1 2.95Å; D30-R90 IonicContact OD2-NH2 2.72Å
31	P	63.9	Low	66.6	Low	83 Å²	83	82.4 Å²	82.4	54%	0.539	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-55.3	-23.1	177.6	-25.7	34.3	0	0	0	113.5	L29 D33 F34	L29-P31 WeakPolarHBondContact O-CD 3.09Å; P31-D33 PolarHBondContact O-N 2.92Å; P31-F34 HydrophobicContact CB-CD2 4.23Å; P31-F34 HydrophobicContact CB-CE2 4.24Å; P31-F34 WeakPolarHBondContact O-CD2 3.3Å; P31-F34 PolarHBondContact O-N 2.77Å
32	N	65.8	Low	68.8	Low	67 Å²	67	76.7 Å²	76.7	36%	0.358	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-68.9	-14.3	173.6	-63	-58.2	0	0	0	113.6	D30 R38 R41	D30-N32 PolarHBondContact O-N 3.42Å; D30-N32 VanDerWaalsContact OD1-CB 3.27Å; D30-N32 WeakPolarHBondContact OD1-CB 3.27Å; D30-N32 PolarHBondContact OD1-N 2.83Å; D30-N32 PolarHBondContact OD1-ND2 3.48Å; N32-R38 WeakPolarHBondContact O-CG 3.37Å; N32-R41 PolarHBondContact O-NH2 3.47Å
33	D	67.6	Low	71	Confident	20 Å²	20	73 Å²	73	11%	0.107	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-88.6	-6.5	178.9	-65.7	-31.4	0	0	0	112.8	D30 P31 G35 K181	D30-D33 WeakPolarHBondContact O-CB 3.21Å; D30-D33 PolarHBondContact O-N 3.15Å; P31-D33 PolarHBondContact O-N 2.92Å; D33-G35 PolarHBondContact O-N 2.96Å; D33-K181 WeakPolarHBondContact OD2-CD 3.46Å; D33-K181 VanDerWaalsContact OD2-CE 3.3Å; D33-K181 WeakPolarHBondContact OD2-CE 3.4Å; D33-K181 IonicContact OD2-NZ 2.76Å; D33-K181 PolarHBondContact OD2-NZ 3.17Å
34	F	79.4	Confident	73.4	Confident	88 Å²	88	71.8 Å²	71.8	39%	0.386	40%	0.401	S	S	.	.			trans	-66	126.9	176.1	-72.8	-62.1	0	0	0	111.4	L23 P31 A36 V37 R38	L23-F34 HydrophobicContact CD2-CE1 4.06Å; L23-F34 HydrophobicContact CD2-CZ 3.83Å; P31-F34 HydrophobicContact CB-CD2 4.23Å; P31-F34 HydrophobicContact CB-CE2 4.24Å; P31-F34 WeakPolarHBondContact O-CD2 3.3Å; P31-F34 PolarHBondContact O-N 2.77Å; F34-A36 VanDerWaalsContact C-N 3.27Å; F34-A36 PolarHBondContact O-N 3.35Å; F34-V37 HydrophobicContact CB-CB 4.3Å; F34-V37 HydrophobicContact CB-CG2 3.96Å; F34-V37 WeakPolarHBondContact O-CB 3.32Å; F34-V37 PolarHBondContact O-N 3.35Å; F34-R38 WeakPolarHBondContact O-CG 3.47Å; F34-R38 PolarHBondContact O-N 3.28Å
35	G	81.1	Confident	75.8	Confident	47 Å²	47	64.4 Å²	64.4	49%	0.485	38%	0.375	S	S	.	.	H	α-helix	trans	-52.6	-42.2	-177.7	0	0	0	0	0	113.6	D33 V37 R38 V39	D33-G35 PolarHBondContact O-N 2.96Å; G35-V37 VanDerWaalsContact C-N 3.35Å; G35-V37 PolarHBondContact O-N 2.96Å; G35-R38 PolarHBondContact O-N 3.16Å; G35-V39 WeakPolarHBondContact O-CB 3.44Å; G35-V39 WeakPolarHBondContact O-CG2 3.42Å; G35-V39 PolarHBondContact O-N 3.44Å
36	A	84.5	Confident	78.1	Confident	82 Å²	82	61.3 Å²	61.3	68%	0.678	35%	0.353	S	S	*	.	H	α-helix	trans	-62.7	-38.9	177.2	0	0	0	0	0	112.9	F34 G40	F34-A36 VanDerWaalsContact C-N 3.27Å; F34-A36 PolarHBondContact O-N 3.35Å; A36-G40 PolarHBondContact O-N 2.94Å
37	V	87.6	Confident	80.4	Confident	62 Å²	62	60.8 Å²	60.8	38%	0.376	36%	0.358	S	S	.	.	H	α-helix	trans	-71.1	-39.4	179	179.6	0	0	0	0	110.9	F34 G35 R41	F34-V37 HydrophobicContact CB-CB 4.3Å; F34-V37 HydrophobicContact CB-CG2 3.96Å; F34-V37 WeakPolarHBondContact O-CB 3.32Å; F34-V37 PolarHBondContact O-N 3.35Å; G35-V37 VanDerWaalsContact C-N 3.35Å; G35-V37 PolarHBondContact O-N 2.96Å; V37-R41 WeakPolarHBondContact O-CB 3.41Å; V37-R41 WeakPolarHBondContact O-CG 3.46Å; V37-R41 PolarHBondContact O-N 3.42Å; V37-R41 PolarHBondContact O-NE 3.29Å
38	R	89.9	Confident	82.9	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-47.3	174.1	-62.5	172.9	71	77.3	2.9	111.9	N32 F34 G35 A42 N89 D189	N32-R38 WeakPolarHBondContact O-CG 3.37Å; F34-R38 WeakPolarHBondContact O-CG 3.47Å; F34-R38 PolarHBondContact O-N 3.28Å; G35-R38 PolarHBondContact O-N 3.16Å; R38-A42 PolarHBondContact O-N 2.77Å; R38-A42 VanDerWaalsContact O-N 3.08Å; R38-N89 PolarHBondContact NH1-O 3.29Å; R38-N89 PolarHBondContact NH2-O 3.08Å; R38-N89 PolarHBondContact O-ND2 2.72Å; R38-D189 IonicContact CZ-OD1 3.69Å; R38-D189 IonicContact CZ-OD2 2.72Å; R38-D189 IonicContact NE-OD1 2.73Å; R38-D189 PolarHBondContact NE-OD1 3.35Å; R38-D189 IonicContact NE-OD2 3.77Å; R38-D189 IonicContact NH2-OD1 2.75Å; R38-D189 PolarHBondContact NH2-OD1 3.22Å; R38-D189 IonicContact NH2-OD2 3.24Å; R38-D189 PolarHBondContact NH2-OD2 3.04Å
39	V	92.1	Very high	84.9	Confident	65 Å²	65	49.4 Å²	49.4	39%	0.394	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-49.3	176.8	171.4	0	0	0	0	110.5	G35 R41 A42 V43 L192	G35-V39 WeakPolarHBondContact O-CB 3.44Å; G35-V39 WeakPolarHBondContact O-CG2 3.42Å; G35-V39 PolarHBondContact O-N 3.44Å; V39-R41 PolarHBondContact O-N 3.05Å; V39-A42 PolarHBondContact O-N 3.09Å; V39-V43 HydrophobicContact CG1-CG2 4.2Å; V39-V43 WeakPolarHBondContact O-CG2 3.46Å; V39-V43 PolarHBondContact O-N 3.14Å; V39-L192 HydrophobicContact CB-CD2 4.38Å; V39-L192 HydrophobicContact CG1-CD1 4.11Å; V39-L192 HydrophobicContact CG2-CD1 4.34Å; V39-L192 HydrophobicContact CG2-CD2 3.95Å
40	G	92.7	Very high	86.7	Confident	39 Å²	39	47.2 Å²	47.2	40%	0.402	31%	0.308	S	S	.	.	H	α-helix	trans	-57.9	-45.6	179.4	0	0	0	0	0	112.7	A36 A44	A36-G40 PolarHBondContact O-N 2.94Å; G40-A44 VanDerWaalsContact O-CB 3.23Å; G40-A44 WeakPolarHBondContact O-CB 3.48Å; G40-A44 PolarHBondContact O-N 3.38Å
41	R	94.1	Very high	88.2	Confident	50 Å²	50	52.8 Å²	52.8	19%	0.189	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-47.7	174.8	-80	179.3	-71	168.3	1.8	112.1	N32 V37 V39 A44 T45 L85 A88 N89	N32-R41 PolarHBondContact O-NH2 3.47Å; V37-R41 WeakPolarHBondContact O-CB 3.41Å; V37-R41 WeakPolarHBondContact O-CG 3.46Å; V37-R41 PolarHBondContact O-N 3.42Å; V37-R41 PolarHBondContact O-NE 3.29Å; V39-R41 PolarHBondContact O-N 3.05Å; R41-A44 PolarHBondContact O-N 2.92Å; R41-T45 WeakPolarHBondContact O-CB 3.46Å; R41-T45 PolarHBondContact O-N 3.44Å; R41-T45 PolarHBondContact O-OG1 3.43Å; R41-T45 VanDerWaalsContact O-OG1 3.06Å; R41-L85 HydrophobicContact CB-CD1 4.07Å; R41-A88 VanDerWaalsContact NH1-C 3.29Å; R41-A88 PolarHBondContact NH1-O 3.1Å; R41-N89 PolarHBondContact NE-OD1 3.19Å; R41-N89 PolarHBondContact NH2-OD1 2.93Å
42	A	94.8	Very high	89.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-47.5	-179.2	0	0	0	0	0	112	R38 V39 A44 T45 T46 L85 F93 L192 L196	R38-A42 PolarHBondContact O-N 2.77Å; R38-A42 VanDerWaalsContact O-N 3.08Å; V39-A42 PolarHBondContact O-N 3.09Å; A42-A44 PolarHBondContact O-N 3.26Å; A42-T45 PolarHBondContact O-N 3.43Å; A42-T46 WeakPolarHBondContact O-CB 3.38Å; A42-T46 PolarHBondContact O-N 2.87Å; A42-T46 PolarHBondContact O-OG1 3.12Å; A42-L85 HydrophobicContact CB-CD1 4.13Å; A42-L85 HydrophobicContact CB-CD2 4.27Å; A42-F93 HydrophobicContact CB-CE1 4.25Å; A42-F93 HydrophobicContact CB-CZ 4.12Å; A42-L192 HydrophobicContact CB-CD2 3.79Å; A42-L192 HydrophobicContact CB-CG 4.34Å; A42-L196 HydrophobicContact CB-CD1 3.7Å
43	V	96	Very high	90.9	Very high	69 Å²	69	48.2 Å²	48.2	42%	0.418	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-47.3	177.4	172.6	0	0	0	0	111.1	V39 T46 A47 L196	V39-V43 HydrophobicContact CG1-CG2 4.2Å; V39-V43 WeakPolarHBondContact O-CG2 3.46Å; V39-V43 PolarHBondContact O-N 3.14Å; V43-T46 PolarHBondContact O-N 2.84Å; V43-A47 WeakPolarHBondContact O-CB 3.4Å; V43-A47 PolarHBondContact O-N 3.04Å; V43-L196 HydrophobicContact CG2-CD2 3.95Å
44	A	96.6	Very high	91.9	Very high	53 Å²	53	51.3 Å²	51.3	44%	0.438	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-47.2	179.8	0	0	0	0	0	111.7	G40 R41 A42 T46 A47 V48	G40-A44 VanDerWaalsContact O-CB 3.23Å; G40-A44 WeakPolarHBondContact O-CB 3.48Å; G40-A44 PolarHBondContact O-N 3.38Å; R41-A44 PolarHBondContact O-N 2.92Å; A42-A44 PolarHBondContact O-N 3.26Å; A44-T46 PolarHBondContact O-N 2.87Å; A44-A47 PolarHBondContact O-N 3.37Å; A44-V48 VanDerWaalsContact O-CG2 3.32Å; A44-V48 WeakPolarHBondContact O-CG2 3.4Å; A44-V48 PolarHBondContact O-N 2.97Å
45	T	96.7	Very high	92.5	Very high	29 Å²	29	49.8 Å²	49.8	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-46.1	177.5	-65.7	0	0	0	0	111.4	R41 A42 A47 V48 I49 R81 L85	R41-T45 WeakPolarHBondContact O-CB 3.46Å; R41-T45 PolarHBondContact O-N 3.44Å; R41-T45 PolarHBondContact O-OG1 3.43Å; R41-T45 VanDerWaalsContact O-OG1 3.06Å; A42-T45 PolarHBondContact O-N 3.43Å; T45-A47 PolarHBondContact O-N 2.86Å; T45-V48 PolarHBondContact O-N 3.01Å; T45-I49 HydrophobicContact CG2-CD1 3.79Å; T45-I49 HydrophobicContact CG2-CG1 4.45Å; T45-I49 WeakPolarHBondContact O-CB 3.49Å; T45-I49 VanDerWaalsContact O-CG1 3.3Å; T45-I49 WeakPolarHBondContact O-CG1 3.29Å; T45-I49 PolarHBondContact O-N 3.45Å; T45-R81 HydrophobicContact CG2-CB 4.14Å; T45-L85 HydrophobicContact CG2-CB 4.1Å; T45-L85 HydrophobicContact CG2-CD2 4.05Å
46	T	94.9	Very high	93	Very high	30 Å²	30	48.9 Å²	48.9	18%	0.184	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-47.2	176.6	-63.8	0	0	0	0	111.2	A42 V43 A44 V48 I49 S50 L196 V200	A42-T46 WeakPolarHBondContact O-CB 3.38Å; A42-T46 PolarHBondContact O-N 2.87Å; A42-T46 PolarHBondContact O-OG1 3.12Å; V43-T46 PolarHBondContact O-N 2.84Å; A44-T46 PolarHBondContact O-N 2.87Å; T46-V48 PolarHBondContact O-N 3.31Å; T46-I49 PolarHBondContact O-N 3.37Å; T46-S50 WeakPolarHBondContact O-CB 3.38Å; T46-S50 PolarHBondContact O-N 3.33Å; T46-S50 PolarHBondContact O-OG 2.83Å; T46-S50 VanDerWaalsContact O-OG 3.08Å; T46-L196 HydrophobicContact CG2-CD2 4.31Å; T46-V200 HydrophobicContact CG2-CG2 3.45Å; T46-V200 VanDerWaalsContact CG2-CG2 3.45Å
47	A	95.3	Very high	93.1	Very high	58 Å²	58	46.1 Å²	46.1	48%	0.479	27%	0.269	S	S	.	.	H	α-helix	trans	-61.2	-43.5	179.1	0	0	0	0	0	112.4	V43 A44 T45 S50 Y51	V43-A47 WeakPolarHBondContact O-CB 3.4Å; V43-A47 PolarHBondContact O-N 3.04Å; A44-A47 PolarHBondContact O-N 3.37Å; T45-A47 PolarHBondContact O-N 2.86Å; A47-S50 PolarHBondContact O-N 3.03Å; A47-Y51 VanDerWaalsContact O-CB 3.29Å; A47-Y51 WeakPolarHBondContact O-CB 3.25Å; A47-Y51 PolarHBondContact O-N 2.72Å
48	V	96.9	Very high	93.1	Very high	71 Å²	71	51.9 Å²	51.9	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-44.8	176.8	169.5	0	0	0	0	111	A44 T45 T46 Y51 D52	A44-V48 VanDerWaalsContact O-CG2 3.32Å; A44-V48 WeakPolarHBondContact O-CG2 3.4Å; A44-V48 PolarHBondContact O-N 2.97Å; T45-V48 PolarHBondContact O-N 3.01Å; T46-V48 PolarHBondContact O-N 3.31Å; V48-Y51 PolarHBondContact O-N 3.24Å; V48-D52 WeakPolarHBondContact O-CB 3.42Å; V48-D52 PolarHBondContact O-N 3.36Å
49	I	95.1	Very high	92.7	Very high	23 Å²	23	56.7 Å²	56.7	12%	0.118	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-50.4	176.9	-70.7	170.8	0	0	0	110.3	T45 T46 Y51 D52 Y53 R81 L82	T45-I49 HydrophobicContact CG2-CD1 3.79Å; T45-I49 HydrophobicContact CG2-CG1 4.45Å; T45-I49 WeakPolarHBondContact O-CB 3.49Å; T45-I49 VanDerWaalsContact O-CG1 3.3Å; T45-I49 WeakPolarHBondContact O-CG1 3.29Å; T45-I49 PolarHBondContact O-N 3.45Å; T46-I49 PolarHBondContact O-N 3.37Å; I49-Y51 PolarHBondContact O-N 3Å; I49-D52 WeakPolarHBondContact O-CB 3.22Å; I49-D52 PolarHBondContact O-N 2.91Å; I49-Y53 HydrophobicContact CG2-CD2 3.91Å; I49-Y53 HydrophobicContact CG2-CE2 3.75Å; I49-Y53 VanDerWaalsContact O-CD2 3.31Å; I49-Y53 WeakPolarHBondContact O-CD2 3.32Å; I49-Y53 PolarHBondContact O-N 2.9Å; I49-Y53 VanDerWaalsContact O-N 3.14Å; I49-R81 HydrophobicContact CD1-CB 4.17Å; I49-R81 HydrophobicContact CG1-CB 4.27Å; I49-L82 HydrophobicContact CD1-CB 4.44Å
50	S	93.2	Very high	92.5	Very high	8 Å²	8	54.2 Å²	54.2	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-44.7	179.5	-63	0	0	0	0	112.2	T46 A47 D52 Y53 L54	T46-S50 WeakPolarHBondContact O-CB 3.38Å; T46-S50 PolarHBondContact O-N 3.33Å; T46-S50 PolarHBondContact O-OG 2.83Å; T46-S50 VanDerWaalsContact O-OG 3.08Å; A47-S50 PolarHBondContact O-N 3.03Å; S50-D52 VanDerWaalsContact C-N 3.3Å; S50-D52 PolarHBondContact O-N 3.44Å; S50-Y53 PolarHBondContact O-N 2.83Å; S50-L54 WeakPolarHBondContact O-CG 3.26Å; S50-L54 PolarHBondContact O-N 2.82Å
51	Y	95	Very high	92.1	Very high	160 Å²	160	56.7 Å²	56.7	63%	0.627	32%	0.317	S	S	*	.	H	α-helix	trans	-60.3	-41	176.5	178.3	-97.4	0	0	0	112.1	A47 V48 I49 L54 T55	A47-Y51 VanDerWaalsContact O-CB 3.29Å; A47-Y51 WeakPolarHBondContact O-CB 3.25Å; A47-Y51 PolarHBondContact O-N 2.72Å; V48-Y51 PolarHBondContact O-N 3.24Å; I49-Y51 PolarHBondContact O-N 3Å; Y51-L54 PolarHBondContact O-N 3.24Å; Y51-T55 HydrophobicContact CD1-CG2 4.35Å; Y51-T55 HydrophobicContact CD2-CG2 4.03Å; Y51-T55 HydrophobicContact CE1-CG2 3.94Å; Y51-T55 HydrophobicContact CE2-CG2 3.59Å; Y51-T55 HydrophobicContact CG-CG2 4.4Å; Y51-T55 WeakPolarHBondContact O-CB 3.41Å; Y51-T55 WeakPolarHBondContact O-CG2 3.27Å; Y51-T55 PolarHBondContact O-N 3.01Å; Y51-T55 PolarHBondContact O-OG1 3.39Å
52	D	93.9	Very high	91.4	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.08	34%	0.34	C	S	.	.	H	α-helix	trans	-63.6	-42.9	-179.6	-159.2	-10.9	0	0	0	112.1	V48 I49 S50 S56 R77 R81	V48-D52 WeakPolarHBondContact O-CB 3.42Å; V48-D52 PolarHBondContact O-N 3.36Å; I49-D52 WeakPolarHBondContact O-CB 3.22Å; I49-D52 PolarHBondContact O-N 2.91Å; S50-D52 VanDerWaalsContact C-N 3.3Å; S50-D52 PolarHBondContact O-N 3.44Å; D52-S56 WeakPolarHBondContact O-CB 3.18Å; D52-S56 PolarHBondContact O-N 3Å; D52-S56 PolarHBondContact O-OG 2.88Å; D52-S56 VanDerWaalsContact O-OG 3.06Å; D52-S56 PolarHBondContact OD1-OG 2.78Å; D52-R77 IonicContact OD1-CZ 3.86Å; D52-R77 VanDerWaalsContact OD1-CZ 3.3Å; D52-R77 IonicContact OD1-NE 2.93Å; D52-R77 PolarHBondContact OD1-NE 2.96Å; D52-R77 VanDerWaalsContact OD1-NE 3.08Å; D52-R77 IonicContact OD1-NH2 3.35Å; D52-R77 PolarHBondContact OD1-NH2 2.99Å; D52-R77 VanDerWaalsContact OD2-CD 3.3Å; D52-R77 WeakPolarHBondContact OD2-CD 3.45Å; D52-R77 IonicContact OD2-CZ 3.46Å; D52-R77 IonicContact OD2-NE 2.77Å; D52-R77 PolarHBondContact OD2-NE 2.93Å; D52-R77 IonicContact OD2-NH2 3.22Å; D52-R81 IonicContact OD2-CZ 2.96Å; D52-R81 IonicContact OD2-NH1 2.61Å; D52-R81 PolarHBondContact OD2-NH1 3.25Å; D52-R81 IonicContact OD2-NH2 3.09Å; D52-R81 PolarHBondContact OD2-NH2 2.93Å
53	Y	90.8	Very high	90.5	Very high	39 Å²	39	64.8 Å²	64.8	15%	0.153	36%	0.364	C	S	.	.	H	α-helix	trans	-63.3	-44.3	172.6	-82.3	-79.3	0	0	0	112.5	I49 S50 T55 L57 V74 H75 Y111	I49-Y53 HydrophobicContact CG2-CD2 3.91Å; I49-Y53 HydrophobicContact CG2-CE2 3.75Å; I49-Y53 VanDerWaalsContact O-CD2 3.31Å; I49-Y53 WeakPolarHBondContact O-CD2 3.32Å; I49-Y53 PolarHBondContact O-N 2.9Å; I49-Y53 VanDerWaalsContact O-N 3.14Å; S50-Y53 PolarHBondContact O-N 2.83Å; Y53-T55 VanDerWaalsContact C-N 3.31Å; Y53-T55 PolarHBondContact O-N 3.41Å; Y53-L57 HydrophobicContact CD1-CD1 3.99Å; Y53-V74 HydrophobicContact CD1-CG1 3.62Å; Y53-V74 HydrophobicContact CD2-CG1 4.02Å; Y53-V74 HydrophobicContact CE1-CB 4.26Å; Y53-V74 HydrophobicContact CE1-CG1 3.59Å; Y53-V74 HydrophobicContact CE2-CG1 4Å; Y53-V74 HydrophobicContact CG-CG1 3.83Å; Y53-H75 AromaticContact CE1-CE1 3.86Å; Y53-H75 AromaticContact CE1-ND1 3.64Å; Y53-H75 AromaticContact CZ-ND1 3.6Å; Y53-H75 PolarHBondContact OH-CE1 3.34Å; Y53-H75 PolarHBondContact OH-ND1 3.35Å; Y53-Y111 PolarHBondContact OH-OH 2.97Å
54	L	89.1	Confident	90	Very high	85 Å²	85	63.2 Å²	63.2	45%	0.445	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-30.8	-177.9	-73.4	172	0	0	0	113.3	S50 Y51 F204	S50-L54 WeakPolarHBondContact O-CG 3.26Å; S50-L54 PolarHBondContact O-N 2.82Å; Y51-L54 PolarHBondContact O-N 3.24Å; L54-F204 HydrophobicContact CD2-CE1 3.92Å; L54-F204 HydrophobicContact CD2-CZ 4.01Å; L54-F204 HydrophobicContact CG-CE1 4.17Å; L54-F204 HydrophobicContact CG-CZ 3.78Å
55	T	92.7	Very high	89.4	Confident	56 Å²	56	67.7 Å²	67.7	34%	0.344	37%	0.368	S	S	.	.	H	α-helix	trans	-97	-45.7	-174.3	52.2	0	0	0	0	112.7	Y51 Y53 L57 K58	Y51-T55 HydrophobicContact CD1-CG2 4.35Å; Y51-T55 HydrophobicContact CD2-CG2 4.03Å; Y51-T55 HydrophobicContact CE1-CG2 3.94Å; Y51-T55 HydrophobicContact CE2-CG2 3.59Å; Y51-T55 HydrophobicContact CG-CG2 4.4Å; Y51-T55 WeakPolarHBondContact O-CB 3.41Å; Y51-T55 WeakPolarHBondContact O-CG2 3.27Å; Y51-T55 PolarHBondContact O-N 3.01Å; Y51-T55 PolarHBondContact O-OG1 3.39Å; Y53-T55 VanDerWaalsContact C-N 3.31Å; Y53-T55 PolarHBondContact O-N 3.41Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 3.43Å; T55-K58 PolarHBondContact O-N 2.85Å
56	S	91	Very high	89	Confident	28 Å²	28	72.2 Å²	72.2	20%	0.196	39%	0.387	C	S	.	.	H	α-helix	trans	-69.3	-31.5	-173.6	-63.6	0	0	0	0	113	D52 L70 R77	D52-S56 WeakPolarHBondContact O-CB 3.18Å; D52-S56 PolarHBondContact O-N 3Å; D52-S56 PolarHBondContact O-OG 2.88Å; D52-S56 VanDerWaalsContact O-OG 3.06Å; D52-S56 PolarHBondContact OD1-OG 2.78Å; S56-L70 WeakPolarHBondContact O-CD2 3.38Å; S56-R77 VanDerWaalsContact CB-NH2 3.29Å; S56-R77 PolarHBondContact OG-NH2 2.82Å
57	L	87.4	Confident	88.6	Confident	24 Å²	24	72.2 Å²	72.2	13%	0.126	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-5.6	-177.6	-61.3	179.1	0	0	0	113.4	Y53 T55 S59 Y67 L70 R71 V74	Y53-L57 HydrophobicContact CD1-CD1 3.99Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 3.43Å; L57-S59 PolarHBondContact O-N 2.61Å; L57-Y67 HydrophobicContact CB-CE2 4.02Å; L57-Y67 HydrophobicContact CD1-CE2 4.29Å; L57-Y67 HydrophobicContact CD2-CD2 4.37Å; L57-Y67 HydrophobicContact CD2-CE2 4.15Å; L57-Y67 HydrophobicContact CG-CE2 4.38Å; L57-L70 HydrophobicContact CD2-CB 4.37Å; L57-L70 HydrophobicContact CD2-CD2 4.47Å; L57-L70 HydrophobicContact CD2-CG 4.15Å; L57-R71 HydrophobicContact CD1-CG 4.43Å; L57-R71 HydrophobicContact CD2-CB 4.1Å; L57-V74 HydrophobicContact CD2-CG2 4.12Å; L57-V74 HydrophobicContact CG-CG2 4.33Å
58	K	86.3	Confident	88	Confident	184 Å²	184	72.3 Å²	72.3	80%	0.8	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-33.8	-171	-170.6	176.9	179.6	-178.7	0	113.8	T55	T55-K58 PolarHBondContact O-N 2.85Å
59	S	82.6	Confident	87.5	Confident	105 Å²	105	74 Å²	74	73%	0.734	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	0.3	-173.9	55.4	0	0	0	0	113.9	L57	L57-S59 PolarHBondContact O-N 2.61Å
60	V	86.7	Confident	87.3	Confident	12 Å²	12	74.9 Å²	74.9	7%	0.073	38%	0.384	C	S	.	.	S	Bend	trans	-117.9	131.4	-174.4	-169.4	0	0	0	0	109.9	Y62 S64 E66 Y67 L70	V60-Y62 PolarHBondContact O-N 2.84Å; V60-S64 WeakPolarHBondContact CG1-OG 3.3Å; V60-E66 HydrophobicContact CG1-CB 3.89Å; V60-E66 HydrophobicContact CG1-CG 3.8Å; V60-E66 HydrophobicContact CG2-CG 4.5Å; V60-Y67 HydrophobicContact CB-CD2 4.5Å; V60-L70 HydrophobicContact CG2-CD2 3.66Å
61	P	84.5	Confident	87.1	Confident	91 Å²	91	75.9 Å²	75.9	59%	0.591	39%	0.386	S	S	*	.			trans	-58.6	131.6	178.6	-24.2	33.4	0	0	0	112.4	G63 S64 Y67	P61-G63 PolarHBondContact O-N 3.44Å; P61-S64 PolarHBondContact O-N 2.84Å; P61-S64 PolarHBondContact O-OG 2.87Å; P61-S64 VanDerWaalsContact O-OG 3.11Å; P61-Y67 VanDerWaalsContact O-CB 3.28Å; P61-Y67 WeakPolarHBondContact O-CB 3.19Å
62	Y	80.2	Confident	86.8	Confident	173 Å²	173	70.6 Å²	70.6	68%	0.678	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	131.3	178.8	-176.3	-93	0	0	0	111.5	V60 S64 Y67	V60-Y62 PolarHBondContact O-N 2.84Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 3.37Å; Y62-Y67 AromaticContact CD2-CE1 3.86Å; Y62-Y67 HydrophobicContact CD2-CE1 3.86Å; Y62-Y67 HydrophobicContact CD2-CE2 4.04Å; Y62-Y67 AromaticContact CD2-CZ 3.54Å; Y62-Y67 WeakPolarHBondContact CD2-OH 3.31Å; Y62-Y67 AromaticContact CE2-CE1 3.99Å; Y62-Y67 HydrophobicContact CE2-CE1 3.99Å; Y62-Y67 AromaticContact CE2-CZ 3.89Å
63	G	76.5	Confident	86.8	Confident	48 Å²	48	76 Å²	76	50%	0.495	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-0.1	177	0	0	0	0	0	115.5	P61	P61-G63 PolarHBondContact O-N 3.44Å
64	S	84.5	Confident	86.9	Confident	35 Å²	35	74.2 Å²	74.2	25%	0.245	39%	0.388	C	S	.	.	S	Bend	trans	-69.1	158.4	170.2	74.5	0	0	0	0	111.5	V60 P61 Y62 E66 Y67 L68	V60-S64 WeakPolarHBondContact CG1-OG 3.3Å; P61-S64 PolarHBondContact O-N 2.84Å; P61-S64 PolarHBondContact O-OG 2.87Å; P61-S64 VanDerWaalsContact O-OG 3.11Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 3.37Å; S64-E66 PolarHBondContact O-N 2.94Å; S64-Y67 WeakPolarHBondContact O-CB 3.48Å; S64-Y67 PolarHBondContact O-N 3.09Å; S64-Y67 VanDerWaalsContact O-N 3.09Å; S64-Y67 WeakPolarHBondContact OG-CB 3.26Å; S64-Y67 PolarHBondContact OG-N 3.01Å; S64-L68 WeakPolarHBondContact O-CG 3.4Å; S64-L68 PolarHBondContact O-N 3.17Å
65	E	84.7	Confident	87	Confident	148 Å²	148	70.7 Å²	70.7	69%	0.692	37%	0.37	S	S	*	.	H	α-helix	trans	-59	-39.5	174	-170.7	178.1	176.1	0	0	111.4	Y67 L68 Q69	E65-Y67 VanDerWaalsContact C-N 3.32Å; E65-Y67 PolarHBondContact O-N 3.15Å; E65-L68 PolarHBondContact O-N 3.36Å; E65-Q69 WeakPolarHBondContact O-CG 3.48Å; E65-Q69 PolarHBondContact O-N 3.01Å
66	E	87.8	Confident	87.1	Confident	123 Å²	123	70.7 Å²	70.7	58%	0.575	37%	0.367	S	S	*	.	H	α-helix	trans	-59.7	-41.5	173.8	-172.7	-178.2	-169.9	0	0	111.9	V60 S64 Q69 L70	V60-E66 HydrophobicContact CG1-CB 3.89Å; V60-E66 HydrophobicContact CG1-CG 3.8Å; V60-E66 HydrophobicContact CG2-CG 4.5Å; S64-E66 PolarHBondContact O-N 2.94Å; E66-Q69 PolarHBondContact O-N 2.88Å; E66-L70 VanDerWaalsContact O-CB 3.31Å; E66-L70 WeakPolarHBondContact O-CB 3.43Å; E66-L70 PolarHBondContact O-N 3.43Å
67	Y	86.3	Confident	87.4	Confident	30 Å²	30	72.4 Å²	72.4	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-62.5	-44.8	176.7	177.7	-89.7	0	0	0	111.2	L57 V60 P61 Y62 S64 E65 L70 R71	L57-Y67 HydrophobicContact CB-CE2 4.02Å; L57-Y67 HydrophobicContact CD1-CE2 4.29Å; L57-Y67 HydrophobicContact CD2-CD2 4.37Å; L57-Y67 HydrophobicContact CD2-CE2 4.15Å; L57-Y67 HydrophobicContact CG-CE2 4.38Å; V60-Y67 HydrophobicContact CB-CD2 4.5Å; P61-Y67 VanDerWaalsContact O-CB 3.28Å; P61-Y67 WeakPolarHBondContact O-CB 3.19Å; Y62-Y67 AromaticContact CD2-CE1 3.86Å; Y62-Y67 HydrophobicContact CD2-CE1 3.86Å; Y62-Y67 HydrophobicContact CD2-CE2 4.04Å; Y62-Y67 AromaticContact CD2-CZ 3.54Å; Y62-Y67 WeakPolarHBondContact CD2-OH 3.31Å; Y62-Y67 AromaticContact CE2-CE1 3.99Å; Y62-Y67 HydrophobicContact CE2-CE1 3.99Å; Y62-Y67 AromaticContact CE2-CZ 3.89Å; S64-Y67 WeakPolarHBondContact O-CB 3.48Å; S64-Y67 PolarHBondContact O-N 3.09Å; S64-Y67 VanDerWaalsContact O-N 3.09Å; S64-Y67 WeakPolarHBondContact OG-CB 3.26Å; S64-Y67 PolarHBondContact OG-N 3.01Å; E65-Y67 VanDerWaalsContact C-N 3.32Å; E65-Y67 PolarHBondContact O-N 3.15Å; Y67-L70 PolarHBondContact O-N 2.94Å; Y67-R71 WeakPolarHBondContact O-CB 3.4Å; Y67-R71 PolarHBondContact O-N 2.95Å
68	L	83	Confident	87.7	Confident	60 Å²	60	71.2 Å²	71.2	31%	0.314	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-44.8	178.9	-65.5	174.6	0	0	0	111.6	S64 E65 R71 S72 N412	S64-L68 WeakPolarHBondContact O-CG 3.4Å; S64-L68 PolarHBondContact O-N 3.17Å; E65-L68 PolarHBondContact O-N 3.36Å; L68-R71 PolarHBondContact O-N 3.35Å; L68-S72 PolarHBondContact O-N 2.84Å; L68-N412 WeakPolarHBondContact CD2-OD1 3.41Å
69	Q	87.1	Confident	88.1	Confident	106 Å²	106	62.5 Å²	62.5	50%	0.495	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-43.9	177.2	-69.6	178.4	8.4	0	0	112	E65 E66 S72 K73	E65-Q69 WeakPolarHBondContact O-CG 3.48Å; E65-Q69 PolarHBondContact O-N 3.01Å; E66-Q69 PolarHBondContact O-N 2.88Å; Q69-S72 PolarHBondContact O-N 3.2Å; Q69-K73 PolarHBondContact O-N 3.01Å
70	L	89.8	Confident	88.8	Confident	43 Å²	43	64 Å²	64	23%	0.225	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-38.8	178.8	-172.2	55.1	0	0	0	111.6	S56 L57 V60 E66 Y67 K73 V74	S56-L70 WeakPolarHBondContact O-CD2 3.38Å; L57-L70 HydrophobicContact CD2-CB 4.37Å; L57-L70 HydrophobicContact CD2-CD2 4.47Å; L57-L70 HydrophobicContact CD2-CG 4.15Å; V60-L70 HydrophobicContact CG2-CD2 3.66Å; E66-L70 VanDerWaalsContact O-CB 3.31Å; E66-L70 WeakPolarHBondContact O-CB 3.43Å; E66-L70 PolarHBondContact O-N 3.43Å; Y67-L70 PolarHBondContact O-N 2.94Å; L70-K73 WeakPolarHBondContact O-CB 3.29Å; L70-K73 PolarHBondContact O-N 2.87Å; L70-V74 WeakPolarHBondContact O-CG2 3.31Å; L70-V74 PolarHBondContact O-N 3.12Å
71	R	88.4	Confident	89.2	Confident	29 Å²	29	66.7 Å²	66.7	11%	0.109	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-45.8	174.5	-173.5	179.7	71.2	179.4	-1.5	111.8	L57 Y67 L68 K73 V74 H75 A411 N412	L57-R71 HydrophobicContact CD1-CG 4.43Å; L57-R71 HydrophobicContact CD2-CB 4.1Å; Y67-R71 WeakPolarHBondContact O-CB 3.4Å; Y67-R71 PolarHBondContact O-N 2.95Å; L68-R71 PolarHBondContact O-N 3.35Å; R71-K73 VanDerWaalsContact C-N 3.31Å; R71-K73 PolarHBondContact O-N 2.67Å; R71-V74 CarbonylContact O-C 3.55Å; R71-V74 WeakPolarHBondContact O-CA 3.47Å; R71-V74 WeakPolarHBondContact O-CB 3.44Å; R71-V74 PolarHBondContact O-N 3.01Å; R71-H75 PolarHBondContact O-N 3.23Å; R71-A411 PolarHBondContact NH1-O 2.78Å; R71-A411 PolarHBondContact NH2-O 3.18Å; R71-A411 VanDerWaalsContact NH2-O 3.12Å; R71-N412 PolarHBondContact NH2-OD1 2.65Å; R71-N412 VanDerWaalsContact NH2-OD1 3.14Å
72	S	89.1	Confident	89.7	Confident	48 Å²	48	64.2 Å²	64.2	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-55.9	-44.9	173.6	171.9	0	0	0	0	111.7	L68 Q69 V74 H75 L76 E110	L68-S72 PolarHBondContact O-N 2.84Å; Q69-S72 PolarHBondContact O-N 3.2Å; S72-V74 VanDerWaalsContact C-N 3.3Å; S72-V74 PolarHBondContact O-N 3.44Å; S72-H75 WeakPolarHBondContact O-CB 3.23Å; S72-H75 PolarHBondContact O-N 3.38Å; S72-L76 PolarHBondContact O-N 3.29Å; S72-E110 WeakPolarHBondContact CA-OE1 3.47Å; S72-E110 WeakPolarHBondContact CB-OE1 3.42Å; S72-E110 PolarHBondContact OG-OE1 3.48Å
73	K	93.2	Very high	90.3	Very high	130 Å²	130	56.7 Å²	56.7	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-61.7	-35.3	174.1	-68.6	172.2	-179.4	171.6	0	112.8	Q69 L70 R71 R77	Q69-K73 PolarHBondContact O-N 3.01Å; L70-K73 WeakPolarHBondContact O-CB 3.29Å; L70-K73 PolarHBondContact O-N 2.87Å; R71-K73 VanDerWaalsContact C-N 3.31Å; R71-K73 PolarHBondContact O-N 2.67Å; K73-R77 WeakPolarHBondContact O-CG 3.49Å; K73-R77 PolarHBondContact O-N 3.47Å; K73-R77 PolarHBondContact O-NH1 2.89Å
74	V	93.5	Very high	91.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-69.9	-43.8	176.3	-175.9	0	0	0	0	110.4	Y53 L57 L70 R71 S72 L76 R77 S78	Y53-V74 HydrophobicContact CD1-CG1 3.62Å; Y53-V74 HydrophobicContact CD2-CG1 4.02Å; Y53-V74 HydrophobicContact CE1-CB 4.26Å; Y53-V74 HydrophobicContact CE1-CG1 3.59Å; Y53-V74 HydrophobicContact CE2-CG1 4Å; Y53-V74 HydrophobicContact CG-CG1 3.83Å; L57-V74 HydrophobicContact CD2-CG2 4.12Å; L57-V74 HydrophobicContact CG-CG2 4.33Å; L70-V74 WeakPolarHBondContact O-CG2 3.31Å; L70-V74 PolarHBondContact O-N 3.12Å; R71-V74 CarbonylContact O-C 3.55Å; R71-V74 WeakPolarHBondContact O-CA 3.47Å; R71-V74 WeakPolarHBondContact O-CB 3.44Å; R71-V74 PolarHBondContact O-N 3.01Å; S72-V74 VanDerWaalsContact C-N 3.3Å; S72-V74 PolarHBondContact O-N 3.44Å; V74-L76 PolarHBondContact O-N 3.18Å; V74-R77 VanDerWaalsContact CA-CZ 3.47Å; V74-R77 VanDerWaalsContact N-NH1 3.19Å; V74-R77 WeakPolarHBondContact O-CG 3.21Å; V74-S78 WeakPolarHBondContact O-CB 3.47Å; V74-S78 PolarHBondContact O-N 2.78Å; V74-S78 PolarHBondContact O-OG 3.36Å
75	H	92.1	Very high	91.5	Very high	12 Å²	12	59.3 Å²	59.3	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-55.9	-50.7	174.8	-68.6	-23.2	0	0	0	110.7	Y53 R71 S72 R77 S78 A79 E110 Y111	Y53-H75 AromaticContact CE1-CE1 3.86Å; Y53-H75 AromaticContact CE1-ND1 3.64Å; Y53-H75 AromaticContact CZ-ND1 3.6Å; Y53-H75 PolarHBondContact OH-CE1 3.34Å; Y53-H75 PolarHBondContact OH-ND1 3.35Å; R71-H75 PolarHBondContact O-N 3.23Å; S72-H75 WeakPolarHBondContact O-CB 3.23Å; S72-H75 PolarHBondContact O-N 3.38Å; H75-R77 PolarHBondContact O-N 3.5Å; H75-S78 PolarHBondContact O-N 2.85Å; H75-A79 VanDerWaalsContact O-CB 3.24Å; H75-A79 WeakPolarHBondContact O-CB 3.28Å; H75-A79 PolarHBondContact O-N 3.21Å; H75-E110 HydrophobicContact CB-CB 3.87Å; H75-E110 HydrophobicContact CB-CG 4.07Å; H75-E110 IonicContact CD2-OE2 3.39Å; H75-Y111 HydrophobicContact CB-CD2 4.22Å; H75-Y111 HydrophobicContact CB-CE2 3.94Å; H75-Y111 AromaticContact ND1-CE2 3.86Å
76	L	94.7	Very high	91.8	Very high	56 Å²	56	52.4 Å²	52.4	29%	0.293	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-48.5	-177.5	-174.8	60	0	0	0	113.7	S72 V74 S78 A79 R80 E110	S72-L76 PolarHBondContact O-N 3.29Å; V74-L76 PolarHBondContact O-N 3.18Å; L76-S78 VanDerWaalsContact C-N 3.34Å; L76-A79 PolarHBondContact O-N 2.94Å; L76-R80 WeakPolarHBondContact O-CG 3.45Å; L76-R80 PolarHBondContact O-N 2.84Å; L76-E110 HydrophobicContact CB-CB 4.04Å; L76-E110 HydrophobicContact CB-CG 3.99Å; L76-E110 HydrophobicContact CD1-CB 4.19Å; L76-E110 HydrophobicContact CD1-CG 4.5Å
77	R	96.3	Very high	91.8	Very high	63 Å²	63	49.1 Å²	49.1	24%	0.238	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-33	179	66.6	-170.2	177	-107.8	11.5	112.4	D52 S56 K73 V74 H75 R80 R81	D52-R77 IonicContact OD1-CZ 3.86Å; D52-R77 VanDerWaalsContact OD1-CZ 3.3Å; D52-R77 IonicContact OD1-NE 2.93Å; D52-R77 PolarHBondContact OD1-NE 2.96Å; D52-R77 VanDerWaalsContact OD1-NE 3.08Å; D52-R77 IonicContact OD1-NH2 3.35Å; D52-R77 PolarHBondContact OD1-NH2 2.99Å; D52-R77 VanDerWaalsContact OD2-CD 3.3Å; D52-R77 WeakPolarHBondContact OD2-CD 3.45Å; D52-R77 IonicContact OD2-CZ 3.46Å; D52-R77 IonicContact OD2-NE 2.77Å; D52-R77 PolarHBondContact OD2-NE 2.93Å; D52-R77 IonicContact OD2-NH2 3.22Å; S56-R77 VanDerWaalsContact CB-NH2 3.29Å; S56-R77 PolarHBondContact OG-NH2 2.82Å; K73-R77 WeakPolarHBondContact O-CG 3.49Å; K73-R77 PolarHBondContact O-N 3.47Å; K73-R77 PolarHBondContact O-NH1 2.89Å; V74-R77 VanDerWaalsContact CA-CZ 3.47Å; V74-R77 VanDerWaalsContact N-NH1 3.19Å; V74-R77 WeakPolarHBondContact O-CG 3.21Å; H75-R77 PolarHBondContact O-N 3.5Å; R77-R80 PolarHBondContact O-N 2.87Å; R77-R81 WeakPolarHBondContact O-CG 3.43Å; R77-R81 PolarHBondContact O-N 2.76Å; R77-R81 VanDerWaalsContact O-N 3.14Å
78	S	95.3	Very high	91.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.5	-40.3	175.4	-59.9	0	0	0	0	111.9	V74 H75 L76 R80 R81 L82 Y111	V74-S78 WeakPolarHBondContact O-CB 3.47Å; V74-S78 PolarHBondContact O-N 2.78Å; V74-S78 PolarHBondContact O-OG 3.36Å; H75-S78 PolarHBondContact O-N 2.85Å; L76-S78 VanDerWaalsContact C-N 3.34Å; S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact O-N 2.79Å; S78-R81 PolarHBondContact O-N 2.82Å; S78-L82 WeakPolarHBondContact O-CB 3.45Å; S78-L82 PolarHBondContact O-N 3.21Å; S78-Y111 VanDerWaalsContact CB-OH 3.24Å; S78-Y111 WeakPolarHBondContact CB-OH 3.31Å
79	A	94.8	Very high	92	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-41.7	174.2	0	0	0	0	0	111.7	H75 L76 L82 C83 E110 Y111 T114	H75-A79 VanDerWaalsContact O-CB 3.24Å; H75-A79 WeakPolarHBondContact O-CB 3.28Å; H75-A79 PolarHBondContact O-N 3.21Å; L76-A79 PolarHBondContact O-N 2.94Å; A79-L82 PolarHBondContact O-N 2.92Å; A79-C83 WeakPolarHBondContact O-CB 3.29Å; A79-C83 PolarHBondContact O-N 3.35Å; A79-E110 VanDerWaalsContact CB-O 3.29Å; A79-E110 WeakPolarHBondContact CB-O 3.32Å; A79-Y111 HydrophobicContact CB-CD1 3.71Å; A79-Y111 HydrophobicContact CB-CD2 4.44Å; A79-Y111 HydrophobicContact CB-CE1 4.04Å; A79-Y111 HydrophobicContact CB-CG 3.94Å; A79-T114 HydrophobicContact CB-CG2 4.22Å
80	R	96	Very high	91.9	Very high	138 Å²	138	45.8 Å²	45.8	52%	0.521	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-48.9	175.2	-72.7	172.8	-178.4	174.3	-0.1	112.1	L76 R77 S78 L82 C83 E84 T114	L76-R80 WeakPolarHBondContact O-CG 3.45Å; L76-R80 PolarHBondContact O-N 2.84Å; R77-R80 PolarHBondContact O-N 2.87Å; S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact O-N 2.79Å; R80-L82 VanDerWaalsContact C-N 3.28Å; R80-L82 PolarHBondContact O-N 3.42Å; R80-C83 WeakPolarHBondContact O-CB 3.42Å; R80-C83 PolarHBondContact O-N 2.98Å; R80-C83 VanDerWaalsContact O-N 3.14Å; R80-E84 WeakPolarHBondContact O-CG 3.41Å; R80-E84 PolarHBondContact O-N 3.05Å; R80-T114 HydrophobicContact CG-CG2 3.98Å
81	R	96.3	Very high	91.6	Very high	67 Å²	67	44.1 Å²	44.1	25%	0.253	21%	0.211	S	C	.	.	H	α-helix	trans	-59.6	-39.3	176	-68	178.4	-166.2	128.4	-4.3	112.3	T45 I49 D52 R77 S78 L85	T45-R81 HydrophobicContact CG2-CB 4.14Å; I49-R81 HydrophobicContact CD1-CB 4.17Å; I49-R81 HydrophobicContact CG1-CB 4.27Å; D52-R81 IonicContact OD2-CZ 2.96Å; D52-R81 IonicContact OD2-NH1 2.61Å; D52-R81 PolarHBondContact OD2-NH1 3.25Å; D52-R81 IonicContact OD2-NH2 3.09Å; D52-R81 PolarHBondContact OD2-NH2 2.93Å; R77-R81 WeakPolarHBondContact O-CG 3.43Å; R77-R81 PolarHBondContact O-N 2.76Å; R77-R81 VanDerWaalsContact O-N 3.14Å; S78-R81 PolarHBondContact O-N 2.82Å; R81-L85 WeakPolarHBondContact O-CB 3.32Å; R81-L85 PolarHBondContact O-N 3.32Å
82	L	94.6	Very high	91.5	Very high	40 Å²	40	42.8 Å²	42.8	21%	0.209	21%	0.206	C	C	.	.	H	α-helix	trans	-66.4	-42.9	175.6	-178.4	59.8	0	0	0	111.4	I49 S78 A79 R80 L85 C86 L100 Y111 L115	I49-L82 HydrophobicContact CD1-CB 4.44Å; S78-L82 WeakPolarHBondContact O-CB 3.45Å; S78-L82 PolarHBondContact O-N 3.21Å; A79-L82 PolarHBondContact O-N 2.92Å; R80-L82 VanDerWaalsContact C-N 3.28Å; R80-L82 PolarHBondContact O-N 3.42Å; L82-L85 HydrophobicContact CD1-CD2 4.39Å; L82-L85 WeakPolarHBondContact O-CB 3.18Å; L82-L85 PolarHBondContact O-N 3.37Å; L82-C86 PolarHBondContact O-N 2.77Å; L82-C86 PolarHBondContact O-SG 3.46Å; L82-L100 HydrophobicContact CD2-CD1 4.15Å; L82-Y111 HydrophobicContact CD2-CD1 4.24Å; L82-Y111 HydrophobicContact CD2-CE1 4.09Å; L82-L115 HydrophobicContact CD2-CD1 4.13Å; L82-L115 HydrophobicContact CG-CD2 4.35Å
83	C	93.2	Very high	91.5	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.095	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-45.2	175.4	-172.8	0	0	0	0	111.6	A79 R80 L85 C86 C87 T114 L115	A79-C83 WeakPolarHBondContact O-CB 3.29Å; A79-C83 PolarHBondContact O-N 3.35Å; R80-C83 WeakPolarHBondContact O-CB 3.42Å; R80-C83 PolarHBondContact O-N 2.98Å; R80-C83 VanDerWaalsContact O-N 3.14Å; C83-L85 PolarHBondContact O-N 3.37Å; C83-C86 WeakPolarHBondContact O-CB 3.22Å; C83-C86 PolarHBondContact O-N 2.74Å; C83-C86 VanDerWaalsContact O-N 3.14Å; C83-C87 PolarHBondContact O-N 2.98Å; C83-C87 PolarHBondContact O-SG 2.94Å; C83-C87 VanDerWaalsContact O-SG 3.38Å; C83-T114 HydrophobicContact CB-CG2 3.9Å; C83-L115 HydrophobicContact CB-CD2 3.85Å
84	E	92.8	Very high	91.3	Very high	129 Å²	129	34.8 Å²	34.8	60%	0.603	17%	0.165	S	C	*	.	H	α-helix	trans	-59.3	-44.9	175.1	-73.1	167.9	-168.9	0	0	111.7	R80 C86 C87 A88	R80-E84 WeakPolarHBondContact O-CG 3.41Å; R80-E84 PolarHBondContact O-N 3.05Å; E84-C86 VanDerWaalsContact C-N 3.31Å; E84-C86 PolarHBondContact O-N 2.91Å; E84-C87 PolarHBondContact O-N 3.27Å; E84-A88 WeakPolarHBondContact O-CB 3.12Å; E84-A88 PolarHBondContact O-N 3.44Å
85	L	92.7	Very high	90.9	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-44.3	173.3	174.1	65.4	0	0	0	111.3	R41 A42 T45 R81 L82 C83 A88 N89 F93	R41-L85 HydrophobicContact CB-CD1 4.07Å; A42-L85 HydrophobicContact CB-CD1 4.13Å; A42-L85 HydrophobicContact CB-CD2 4.27Å; T45-L85 HydrophobicContact CG2-CB 4.1Å; T45-L85 HydrophobicContact CG2-CD2 4.05Å; R81-L85 WeakPolarHBondContact O-CB 3.32Å; R81-L85 PolarHBondContact O-N 3.32Å; L82-L85 HydrophobicContact CD1-CD2 4.39Å; L82-L85 WeakPolarHBondContact O-CB 3.18Å; L82-L85 PolarHBondContact O-N 3.37Å; C83-L85 PolarHBondContact O-N 3.37Å; L85-A88 PolarHBondContact O-N 3.06Å; L85-N89 WeakPolarHBondContact O-CB 3.19Å; L85-N89 PolarHBondContact O-N 3.16Å; L85-F93 HydrophobicContact CD1-CE1 4.43Å; L85-F93 HydrophobicContact CD2-CD1 4.23Å; L85-F93 HydrophobicContact CD2-CE1 3.95Å; L85-F93 HydrophobicContact CG-CD1 4.06Å; L85-F93 HydrophobicContact CG-CE1 4.09Å
86	C	90.9	Very high	90.8	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.027	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-46.2	178.5	-68.9	0	0	0	0	112.2	L82 C83 E84 A88 R90 F93 I94 L118	L82-C86 PolarHBondContact O-N 2.77Å; L82-C86 PolarHBondContact O-SG 3.46Å; C83-C86 WeakPolarHBondContact O-CB 3.22Å; C83-C86 PolarHBondContact O-N 2.74Å; C83-C86 VanDerWaalsContact O-N 3.14Å; E84-C86 VanDerWaalsContact C-N 3.31Å; E84-C86 PolarHBondContact O-N 2.91Å; C86-A88 VanDerWaalsContact C-N 3.35Å; C86-A88 PolarHBondContact O-N 3.32Å; C86-R90 WeakPolarHBondContact O-CA 3.27Å; C86-R90 PolarHBondContact O-N 2.7Å; C86-F93 HydrophobicContact CB-CB 4.32Å; C86-F93 PolarHBondContact SG-O 3.02Å; C86-I94 VanDerWaalsContact O-CG1 3.28Å; C86-I94 WeakPolarHBondContact O-CG1 3.47Å; C86-L118 HydrophobicContact CB-CD1 3.69Å; C86-L118 HydrophobicContact CB-CD2 4.08Å
87	C	87.2	Confident	90.5	Very high	53 Å²	53	33 Å²	33	36%	0.358	16%	0.157	S	C	.	.	H	α-helix	trans	-62.9	-41.6	175.3	-67.9	0	0	0	0	112	C83 E84 R90 L118	C83-C87 PolarHBondContact O-N 2.98Å; C83-C87 PolarHBondContact O-SG 2.94Å; C83-C87 VanDerWaalsContact O-SG 3.38Å; E84-C87 PolarHBondContact O-N 3.27Å; C87-R90 WeakPolarHBondContact O-CG 3.25Å; C87-L118 WeakPolarHBondContact SG-CD2 3.37Å
88	A	87	Confident	90.1	Very high	37 Å²	37	30.7 Å²	30.7	31%	0.306	15%	0.149	S	C	.	.	H	α-helix	trans	-72.5	-36.5	-175.7	0	0	0	0	0	112.7	R41 E84 L85 C86	R41-A88 VanDerWaalsContact NH1-C 3.29Å; R41-A88 PolarHBondContact NH1-O 3.1Å; E84-A88 WeakPolarHBondContact O-CB 3.12Å; E84-A88 PolarHBondContact O-N 3.44Å; L85-A88 PolarHBondContact O-N 3.06Å; C86-A88 VanDerWaalsContact C-N 3.35Å; C86-A88 PolarHBondContact O-N 3.32Å
89	N	86.9	Confident	89.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-88.4	-19.8	176.3	-78.7	3.4	0	0	0	112.6	R38 R41 L85 F93	R38-N89 PolarHBondContact NH1-O 3.29Å; R38-N89 PolarHBondContact NH2-O 3.08Å; R38-N89 PolarHBondContact O-ND2 2.72Å; R41-N89 PolarHBondContact NE-OD1 3.19Å; R41-N89 PolarHBondContact NH2-OD1 2.93Å; L85-N89 WeakPolarHBondContact O-CB 3.19Å; L85-N89 PolarHBondContact O-N 3.16Å; N89-F93 HydrophobicContact CB-CB 4.08Å; N89-F93 HydrophobicContact CB-CD1 4.28Å; N89-F93 HydrophobicContact CB-CD2 3.46Å; N89-F93 VanDerWaalsContact CB-CD2 3.46Å; N89-F93 HydrophobicContact CB-CE2 3.9Å; N89-F93 HydrophobicContact CB-CG 3.68Å; N89-F93 HydrophobicContact CB-CZ 4.49Å; N89-F93 VanDerWaalsContact ND2-CE2 3.31Å; N89-F93 WeakPolarHBondContact ND2-CE2 3.38Å; N89-F93 VanDerWaalsContact ND2-CZ 3.3Å; N89-F93 WeakPolarHBondContact ND2-CZ 3.4Å
90	R	84.6	Confident	89.2	Confident	89 Å²	89	32.3 Å²	32.3	34%	0.336	16%	0.157	S	C	.	.			trans	57.7	-172.2	177	-50.7	-179	176.7	134.6	-2	113	D30 C86 C87 T92 F93 I94 P123	D30-R90 IonicContact OD2-CZ 3.1Å; D30-R90 IonicContact OD2-NH1 2.66Å; D30-R90 PolarHBondContact OD2-NH1 2.95Å; D30-R90 IonicContact OD2-NH2 2.72Å; C86-R90 WeakPolarHBondContact O-CA 3.27Å; C86-R90 PolarHBondContact O-N 2.7Å; C87-R90 WeakPolarHBondContact O-CG 3.25Å; R90-T92 PolarHBondContact O-N 3.05Å; R90-F93 PolarHBondContact O-N 3.2Å; R90-F93 VanDerWaalsContact O-N 3.09Å; R90-I94 HydrophobicContact CB-CD1 4.28Å; R90-P123 HydrophobicContact CB-CG 3.96Å; R90-P123 HydrophobicContact CG-CB 4.28Å; R90-P123 HydrophobicContact CG-CG 3.79Å
91	G	84	Confident	88.7	Confident	8 Å²	8	25.8 Å²	25.8	8%	0.082	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-119.8	170.3	0	0	0	0	0	113.6	F93 I94 K95	G91-F93 PolarHBondContact O-N 3.3Å; G91-I94 PolarHBondContact O-N 3Å; G91-I94 VanDerWaalsContact O-N 3.07Å; G91-K95 PolarHBondContact O-N 2.77Å
92	T	86.6	Confident	88	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-54.4	-37.4	-179.3	-61.3	0	0	0	0	113.4	R90 K95 V96 S186 D189 I190 M193 L220	R90-T92 PolarHBondContact O-N 3.05Å; T92-K95 PolarHBondContact O-N 3.49Å; T92-V96 HydrophobicContact CG2-CG2 4.48Å; T92-V96 WeakPolarHBondContact O-CG2 3.39Å; T92-V96 PolarHBondContact O-N 2.88Å; T92-S186 WeakPolarHBondContact OG1-CA 3.28Å; T92-D189 HydrophobicContact CG2-CB 3.91Å; T92-I190 HydrophobicContact CG2-CG1 4Å; T92-M193 HydrophobicContact CG2-CE 3.98Å; T92-M193 HydrophobicContact CG2-SD 4.45Å; T92-L220 HydrophobicContact CG2-CD2 3.77Å; T92-L220 VanDerWaalsContact OG1-CD2 3.3Å; T92-L220 WeakPolarHBondContact OG1-CD2 3.44Å
93	F	89.4	Confident	87.2	Confident	9 Å²	9	21.3 Å²	21.3	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-67.9	-41.3	177.8	-76.4	-102.3	0	0	0	112.3	A42 L85 C86 N89 R90 G91 K95 V96 G97 D189 L192 M193	A42-F93 HydrophobicContact CB-CE1 4.25Å; A42-F93 HydrophobicContact CB-CZ 4.12Å; L85-F93 HydrophobicContact CD1-CE1 4.43Å; L85-F93 HydrophobicContact CD2-CD1 4.23Å; L85-F93 HydrophobicContact CD2-CE1 3.95Å; L85-F93 HydrophobicContact CG-CD1 4.06Å; L85-F93 HydrophobicContact CG-CE1 4.09Å; C86-F93 HydrophobicContact CB-CB 4.32Å; C86-F93 PolarHBondContact SG-O 3.02Å; N89-F93 HydrophobicContact CB-CB 4.08Å; N89-F93 HydrophobicContact CB-CD1 4.28Å; N89-F93 HydrophobicContact CB-CD2 3.46Å; N89-F93 VanDerWaalsContact CB-CD2 3.46Å; N89-F93 HydrophobicContact CB-CE2 3.9Å; N89-F93 HydrophobicContact CB-CG 3.68Å; N89-F93 HydrophobicContact CB-CZ 4.49Å; N89-F93 VanDerWaalsContact ND2-CE2 3.31Å; N89-F93 WeakPolarHBondContact ND2-CE2 3.38Å; N89-F93 VanDerWaalsContact ND2-CZ 3.3Å; N89-F93 WeakPolarHBondContact ND2-CZ 3.4Å; R90-F93 PolarHBondContact O-N 3.2Å; R90-F93 VanDerWaalsContact O-N 3.09Å; G91-F93 PolarHBondContact O-N 3.3Å; F93-K95 VanDerWaalsContact C-N 3.32Å; F93-K95 PolarHBondContact O-N 3.3Å; F93-V96 PolarHBondContact O-N 2.85Å; F93-G97 PolarHBondContact O-N 2.84Å; F93-D189 HydrophobicContact CD2-CB 4.27Å; F93-D189 HydrophobicContact CE2-CB 3.87Å; F93-L192 HydrophobicContact CZ-CD2 4.08Å; F93-M193 HydrophobicContact CB-CE 4.06Å; F93-M193 HydrophobicContact CD1-CE 3.51Å; F93-M193 HydrophobicContact CD2-CE 3.65Å; F93-M193 HydrophobicContact CE1-CE 3.74Å; F93-M193 HydrophobicContact CE1-CG 4.45Å; F93-M193 HydrophobicContact CE2-CE 3.89Å; F93-M193 HydrophobicContact CG-CE 3.45Å; F93-M193 VanDerWaalsContact CG-CE 3.45Å; F93-M193 HydrophobicContact CZ-CE 3.92Å; F93-M193 HydrophobicContact CZ-CG 4.43Å
94	I	87.9	Confident	86.2	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-44.8	173.3	-67.1	-179.8	0	0	0	109.7	C86 R90 G91 V96 G97 Q98 L118 P123	C86-I94 VanDerWaalsContact O-CG1 3.28Å; C86-I94 WeakPolarHBondContact O-CG1 3.47Å; R90-I94 HydrophobicContact CB-CD1 4.28Å; G91-I94 PolarHBondContact O-N 3Å; G91-I94 VanDerWaalsContact O-N 3.07Å; I94-V96 PolarHBondContact O-N 3.3Å; I94-G97 CarbonylContact O-C 3.57Å; I94-G97 PolarHBondContact O-N 2.97Å; I94-Q98 HydrophobicContact CG2-CG 4.26Å; I94-Q98 WeakPolarHBondContact O-CB 3.33Å; I94-Q98 VanDerWaalsContact O-CG 3.27Å; I94-Q98 WeakPolarHBondContact O-CG 3.33Å; I94-Q98 PolarHBondContact O-N 3.21Å; I94-L118 HydrophobicContact CG1-CD2 4.47Å; I94-L118 HydrophobicContact CG2-CB 4.28Å; I94-P123 HydrophobicContact CD1-CG 3.81Å
95	K	86.6	Confident	84.9	Confident	13 Å²	13	16 Å²	16	6%	0.057	9%	0.089	C	C	.	.	H	α-helix	trans	-60.2	-48.4	179.5	-172.6	72.7	-164.7	-172.3	0	111.8	G91 T92 F93 G97 Q98 H99 S158 L159 L220 E223 D308	G91-K95 PolarHBondContact O-N 2.77Å; T92-K95 PolarHBondContact O-N 3.49Å; F93-K95 VanDerWaalsContact C-N 3.32Å; F93-K95 PolarHBondContact O-N 3.3Å; K95-G97 VanDerWaalsContact C-N 3.33Å; K95-G97 PolarHBondContact O-N 3.07Å; K95-Q98 WeakPolarHBondContact O-CB 3.48Å; K95-Q98 PolarHBondContact O-N 3.44Å; K95-H99 WeakPolarHBondContact CE-NE2 3.49Å; K95-H99 PolarHBondContact O-CD2 3.36Å; K95-H99 PolarHBondContact O-N 2.9Å; K95-S158 WeakPolarHBondContact CD-OG 3.43Å; K95-L159 HydrophobicContact CB-CD2 4.43Å; K95-L220 HydrophobicContact CG-CD1 4.37Å; K95-E223 VanDerWaalsContact CE-OE1 3.27Å; K95-E223 WeakPolarHBondContact CE-OE1 3.42Å; K95-E223 WeakPolarHBondContact CE-OE2 3.38Å; K95-E223 IonicContact NZ-OE1 3.8Å; K95-E223 IonicContact NZ-OE2 3.09Å; K95-E223 PolarHBondContact NZ-OE2 3.42Å; K95-D308 IonicContact NZ-OD2 2.84Å; K95-D308 PolarHBondContact NZ-OD2 3.14Å
96	V	88.4	Confident	83.7	Confident	18 Å²	18	15.7 Å²	15.7	11%	0.109	9%	0.087	C	C	.	.	H	α-helix	trans	-64.6	-39.1	176.9	174.1	0	0	0	0	111.4	T92 F93 I94 Q98 H99 L100 M193 L212 A216	T92-V96 HydrophobicContact CG2-CG2 4.48Å; T92-V96 WeakPolarHBondContact O-CG2 3.39Å; T92-V96 PolarHBondContact O-N 2.88Å; F93-V96 PolarHBondContact O-N 2.85Å; I94-V96 PolarHBondContact O-N 3.3Å; V96-Q98 VanDerWaalsContact C-N 3.35Å; V96-Q98 PolarHBondContact O-N 3.48Å; V96-H99 WeakPolarHBondContact O-CB 3.44Å; V96-H99 PolarHBondContact O-N 2.99Å; V96-L100 PolarHBondContact O-N 3.35Å; V96-M193 HydrophobicContact CB-CE 4.21Å; V96-M193 HydrophobicContact CB-SD 4.23Å; V96-M193 HydrophobicContact CG1-SD 4.28Å; V96-M193 HydrophobicContact CG2-CE 4.1Å; V96-M193 HydrophobicContact CG2-SD 3.79Å; V96-L212 HydrophobicContact CG1-CD2 3.82Å; V96-L212 HydrophobicContact CG1-CG 4.16Å; V96-A216 HydrophobicContact CG2-CB 3.93Å
97	G	89.6	Confident	83.2	Confident	1 Å²	1	16 Å²	16	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-38.6	173.4	0	0	0	0	0	113.4	F93 I94 K95 L100 G101	F93-G97 PolarHBondContact O-N 2.84Å; I94-G97 CarbonylContact O-C 3.57Å; I94-G97 PolarHBondContact O-N 2.97Å; K95-G97 VanDerWaalsContact C-N 3.33Å; K95-G97 PolarHBondContact O-N 3.07Å; G97-L100 PolarHBondContact O-N 2.88Å; G97-G101 PolarHBondContact O-N 2.87Å
98	Q	87.3	Confident	83.1	Confident	14 Å²	14	13.9 Å²	13.9	7%	0.065	7%	0.074	C	C	.	.	H	α-helix	trans	-63.2	-41.2	172	-75.1	172.8	-12.5	0	0	111.4	I94 K95 V96 L100 G101 A102 L118 H119 S158	I94-Q98 HydrophobicContact CG2-CG 4.26Å; I94-Q98 WeakPolarHBondContact O-CB 3.33Å; I94-Q98 VanDerWaalsContact O-CG 3.27Å; I94-Q98 WeakPolarHBondContact O-CG 3.33Å; I94-Q98 PolarHBondContact O-N 3.21Å; K95-Q98 WeakPolarHBondContact O-CB 3.48Å; K95-Q98 PolarHBondContact O-N 3.44Å; V96-Q98 VanDerWaalsContact C-N 3.35Å; V96-Q98 PolarHBondContact O-N 3.48Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.38Å; Q98-G101 PolarHBondContact O-N 2.81Å; Q98-A102 WeakPolarHBondContact O-CB 3.23Å; Q98-A102 PolarHBondContact O-N 3.09Å; Q98-L118 HydrophobicContact CG-CB 4.05Å; Q98-L118 PolarHBondContact NE2-O 2.78Å; Q98-H119 VanDerWaalsContact CB-CE1 3.43Å; Q98-H119 WeakPolarHBondContact CB-CE1 3.46Å; Q98-H119 PolarHBondContact O-CE1 3.28Å; Q98-H119 PolarHBondContact O-NE2 3.11Å; Q98-S158 VanDerWaalsContact OE1-CB 3.28Å; Q98-S158 PolarHBondContact OE1-OG 2.7Å
99	H	85.6	Confident	83	Confident	13 Å²	13	17 Å²	17	6%	0.06	8%	0.082	C	C	.	.	H	α-helix	trans	-59.9	-41.7	173.6	-78.9	-81.3	0	0	0	112	K95 V96 L103 L212	K95-H99 WeakPolarHBondContact CE-NE2 3.49Å; K95-H99 PolarHBondContact O-CD2 3.36Å; K95-H99 PolarHBondContact O-N 2.9Å; V96-H99 WeakPolarHBondContact O-CB 3.44Å; V96-H99 PolarHBondContact O-N 2.99Å; H99-L103 WeakPolarHBondContact O-CG 3.34Å; H99-L212 HydrophobicContact CB-CD1 3.96Å
100	L	85.9	Confident	83.2	Confident	21 Å²	21	18.6 Å²	18.6	11%	0.11	9%	0.09	C	C	.	.	H	α-helix	trans	-67.1	-44	175.3	-69.9	170.6	0	0	0	112.3	L82 V96 G97 Q98 A102 L103 L107 L115 L212	L82-L100 HydrophobicContact CD2-CD1 4.15Å; V96-L100 PolarHBondContact O-N 3.35Å; G97-L100 PolarHBondContact O-N 2.88Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.38Å; L100-A102 PolarHBondContact O-N 2.89Å; L100-L103 PolarHBondContact O-N 2.78Å; L100-L107 HydrophobicContact CB-CD1 4.26Å; L100-L107 HydrophobicContact CD2-CD1 3.48Å; L100-L107 VanDerWaalsContact CD2-CD1 3.48Å; L100-L107 HydrophobicContact CG-CD1 4.5Å; L100-L115 HydrophobicContact CB-CD1 3.63Å; L100-L115 HydrophobicContact CD1-CD1 3.96Å; L100-L115 HydrophobicContact CG-CD1 4.46Å; L100-L212 HydrophobicContact CD1-CD2 4.2Å; L100-L212 HydrophobicContact CD2-CD2 3.48Å; L100-L212 VanDerWaalsContact CD2-CD2 3.48Å; L100-L212 HydrophobicContact CG-CD2 3.74Å
101	G	84.9	Confident	83.4	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-21.6	179.1	0	0	0	0	0	114.1	G97 Q98	G97-G101 PolarHBondContact O-N 2.87Å; Q98-G101 PolarHBondContact O-N 2.81Å
102	A	81.1	Confident	83.6	Confident	5 Å²	5	16 Å²	16	4%	0.041	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-8.4	178.6	0	0	0	0	0	114.6	Q98 L100 D104 K433 L437	Q98-A102 WeakPolarHBondContact O-CB 3.23Å; Q98-A102 PolarHBondContact O-N 3.09Å; L100-A102 PolarHBondContact O-N 2.89Å; A102-D104 PolarHBondContact O-N 3.01Å; A102-K433 HydrophobicContact CB-CG 4.42Å; A102-L437 HydrophobicContact CB-CD2 3.79Å; A102-L437 HydrophobicContact CB-CG 4.2Å
103	L	78.9	Confident	83.7	Confident	8 Å²	8	18.9 Å²	18.9	4%	0.042	10%	0.098	C	C	.	.			trans	-98.1	50.1	-172.9	-60.9	175.4	0	0	0	112.5	H99 L100 Y105 L106 L107 T112 W211 K433	H99-L103 WeakPolarHBondContact O-CG 3.34Å; L100-L103 PolarHBondContact O-N 2.78Å; L103-Y105 PolarHBondContact O-N 3.13Å; L103-L106 HydrophobicContact CB-CB 4.18Å; L103-L106 HydrophobicContact CB-CG 4.48Å; L103-L106 HydrophobicContact CD2-CD1 3.93Å; L103-L106 PolarHBondContact O-N 3.16Å; L103-L107 HydrophobicContact CB-CD1 4.07Å; L103-L107 HydrophobicContact CB-CG 4.01Å; L103-L107 HydrophobicContact CD1-CD1 4.03Å; L103-L107 HydrophobicContact CD1-CG 4.35Å; L103-L107 PolarHBondContact O-N 3Å; L103-L107 VanDerWaalsContact O-N 3.09Å; L103-T112 WeakPolarHBondContact O-CG2 3.43Å; L103-W211 HydrophobicContact CD1-CH2 3.77Å; L103-K433 HydrophobicContact CD2-CB 4.08Å; L103-K433 HydrophobicContact CD2-CG 4.24Å
104	D	71.4	Confident	83.9	Confident	23 Å²	23	19.7 Å²	19.7	12%	0.123	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-25.5	-173.3	-82.4	-20.7	0	0	0	114.5	A102 T112 K116	A102-D104 PolarHBondContact O-N 3.01Å; D104-T112 WeakPolarHBondContact OD1-CB 3.45Å; D104-T112 PolarHBondContact OD1-OG1 2.82Å; D104-K116 IonicContact OD1-NZ 3.87Å; D104-K116 IonicContact OD2-NZ 2.7Å; D104-K116 PolarHBondContact OD2-NZ 3.38Å
105	Y	64.9	Low	84	Confident	8 Å²	8	19.6 Å²	19.6	3%	0.031	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-3.6	-179.2	-63.4	-85.2	0	0	0	114.1	L103 I406 R407 D436 R439 R448	L103-Y105 PolarHBondContact O-N 3.13Å; Y105-I406 HydrophobicContact CD1-CG2 4.39Å; Y105-R407 HydrophobicContact CD1-CG 4.18Å; Y105-R407 HydrophobicContact CE1-CG 4.24Å; Y105-R407 PolarHBondContact OH-NH2 3.32Å; Y105-D436 HydrophobicContact CD2-CB 4.46Å; Y105-D436 WeakPolarHBondContact CD2-OD1 3.49Å; Y105-D436 PolarHBondContact N-OD2 3.32Å; Y105-R439 HydrophobicContact CE2-CB 4.2Å; Y105-R448 PolarHBondContact OH-NH1 3.01Å
106	L	69.3	Low	84	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.016	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-27.1	-177.4	-48.6	-173.3	0	0	0	112.9	L103 M380 I417 L421 L432	L103-L106 HydrophobicContact CB-CB 4.18Å; L103-L106 HydrophobicContact CB-CG 4.48Å; L103-L106 HydrophobicContact CD2-CD1 3.93Å; L103-L106 PolarHBondContact O-N 3.16Å; L106-M380 HydrophobicContact CD1-CE 4.37Å; L106-M380 HydrophobicContact CD2-CB 4.22Å; L106-M380 HydrophobicContact CD2-CE 3.43Å; L106-M380 VanDerWaalsContact CD2-CE 3.43Å; L106-M380 HydrophobicContact CD2-CG 3.87Å; L106-M380 HydrophobicContact CD2-SD 4.29Å; L106-M380 HydrophobicContact CG-CE 4.48Å; L106-I417 HydrophobicContact CB-CG2 4.31Å; L106-L421 HydrophobicContact CB-CD1 4.5Å; L106-L421 HydrophobicContact CD1-CD1 4.18Å; L106-L421 HydrophobicContact CD1-CD2 4.08Å; L106-L432 HydrophobicContact CD1-CB 4.34Å
107	L	80.4	Confident	83.8	Confident	11 Å²	11	25 Å²	25	6%	0.058	13%	0.13	C	C	.	.	S	Bend	trans	-114.7	159.9	-177.3	-61	-176.3	0	0	0	111.6	L100 L103 E109 T112 F209 L414	L100-L107 HydrophobicContact CB-CD1 4.26Å; L100-L107 HydrophobicContact CD2-CD1 3.48Å; L100-L107 VanDerWaalsContact CD2-CD1 3.48Å; L100-L107 HydrophobicContact CG-CD1 4.5Å; L103-L107 HydrophobicContact CB-CD1 4.07Å; L103-L107 HydrophobicContact CB-CG 4.01Å; L103-L107 HydrophobicContact CD1-CD1 4.03Å; L103-L107 HydrophobicContact CD1-CG 4.35Å; L103-L107 PolarHBondContact O-N 3Å; L103-L107 VanDerWaalsContact O-N 3.09Å; L107-E109 PolarHBondContact O-N 3.47Å; L107-T112 HydrophobicContact CB-CG2 3.71Å; L107-F209 HydrophobicContact CD2-CE1 3.62Å; L107-F209 HydrophobicContact CD2-CZ 3.8Å; L107-L414 HydrophobicContact CD2-CD1 4.44Å
108	P	83.8	Confident	83.6	Confident	8 Å²	8	25 Å²	25	5%	0.052	13%	0.129	C	C	.	.			trans	-57.7	138.7	177.2	-21.8	32.8	0	0	0	111.5	E110 Y111 T112 L414	P108-E110 WeakPolarHBondContact CB-OE2 3.3Å; P108-E110 PolarHBondContact O-N 3.31Å; P108-E110 VanDerWaalsContact O-N 3.12Å; P108-Y111 HydrophobicContact CB-CD2 4.23Å; P108-Y111 HydrophobicContact CG-CD2 4.28Å; P108-Y111 PolarHBondContact O-N 2.74Å; P108-T112 PolarHBondContact O-N 2.91Å; P108-L414 HydrophobicContact CG-CD1 4.35Å; P108-L414 HydrophobicContact CG-CD2 4Å
109	E	84.5	Confident	83.2	Confident	102 Å²	102	25.6 Å²	25.6	48%	0.477	13%	0.132	S	C	.	.	H	α-helix	trans	-55	-35.1	-176.1	177.7	172.2	-158.9	0	0	111.9	L107 Y111 T112 S113	L107-E109 PolarHBondContact O-N 3.47Å; E109-Y111 VanDerWaalsContact C-N 3.26Å; E109-Y111 PolarHBondContact O-N 2.76Å; E109-T112 PolarHBondContact O-N 3.04Å; E109-T112 PolarHBondContact O-OG1 3.32Å; E109-S113 WeakPolarHBondContact O-CB 3.47Å; E109-S113 PolarHBondContact O-N 2.94Å; E109-S113 PolarHBondContact O-OG 3.41Å
110	E	91.1	Very high	82.3	Confident	33 Å²	33	29.4 Å²	29.4	15%	0.154	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-33.9	179.9	-55.6	85.6	169.8	0	0	112.2	S72 H75 L76 A79 P108 T114	S72-E110 WeakPolarHBondContact CA-OE1 3.47Å; S72-E110 WeakPolarHBondContact CB-OE1 3.42Å; S72-E110 PolarHBondContact OG-OE1 3.48Å; H75-E110 HydrophobicContact CB-CB 3.87Å; H75-E110 HydrophobicContact CB-CG 4.07Å; H75-E110 IonicContact CD2-OE2 3.39Å; L76-E110 HydrophobicContact CB-CB 4.04Å; L76-E110 HydrophobicContact CB-CG 3.99Å; L76-E110 HydrophobicContact CD1-CB 4.19Å; L76-E110 HydrophobicContact CD1-CG 4.5Å; A79-E110 VanDerWaalsContact CB-O 3.29Å; A79-E110 WeakPolarHBondContact CB-O 3.32Å; P108-E110 WeakPolarHBondContact CB-OE2 3.3Å; P108-E110 PolarHBondContact O-N 3.31Å; P108-E110 VanDerWaalsContact O-N 3.12Å; E110-T114 WeakPolarHBondContact O-CB 3.5Å; E110-T114 PolarHBondContact O-N 3.38Å; E110-T114 PolarHBondContact O-OG1 3.36Å
111	Y	89.9	Confident	81.2	Confident	39 Å²	39	34.6 Å²	34.6	15%	0.153	18%	0.184	C	C	.	.	H	α-helix	trans	-75.3	-49.1	175	-82	-85.9	0	0	0	111.6	Y53 H75 S78 A79 L82 P108 E109 T114 L115	Y53-Y111 PolarHBondContact OH-OH 2.97Å; H75-Y111 HydrophobicContact CB-CD2 4.22Å; H75-Y111 HydrophobicContact CB-CE2 3.94Å; H75-Y111 AromaticContact ND1-CE2 3.86Å; S78-Y111 VanDerWaalsContact CB-OH 3.24Å; S78-Y111 WeakPolarHBondContact CB-OH 3.31Å; A79-Y111 HydrophobicContact CB-CD1 3.71Å; A79-Y111 HydrophobicContact CB-CD2 4.44Å; A79-Y111 HydrophobicContact CB-CE1 4.04Å; A79-Y111 HydrophobicContact CB-CG 3.94Å; L82-Y111 HydrophobicContact CD2-CD1 4.24Å; L82-Y111 HydrophobicContact CD2-CE1 4.09Å; P108-Y111 HydrophobicContact CB-CD2 4.23Å; P108-Y111 HydrophobicContact CG-CD2 4.28Å; P108-Y111 PolarHBondContact O-N 2.74Å; E109-Y111 VanDerWaalsContact C-N 3.26Å; E109-Y111 PolarHBondContact O-N 2.76Å; Y111-T114 PolarHBondContact O-N 3.12Å; Y111-L115 HydrophobicContact CD1-CD1 4.49Å; Y111-L115 WeakPolarHBondContact O-CB 3.28Å; Y111-L115 VanDerWaalsContact O-CG 3.29Å; Y111-L115 WeakPolarHBondContact O-CG 3.39Å; Y111-L115 PolarHBondContact O-N 3.4Å
112	T	88.6	Confident	80.4	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-47.7	-175	62.4	0	0	0	0	110.9	L103 D104 L107 P108 E109 T114 L115 K116	L103-T112 WeakPolarHBondContact O-CG2 3.43Å; D104-T112 WeakPolarHBondContact OD1-CB 3.45Å; D104-T112 PolarHBondContact OD1-OG1 2.82Å; L107-T112 HydrophobicContact CB-CG2 3.71Å; P108-T112 PolarHBondContact O-N 2.91Å; E109-T112 PolarHBondContact O-N 3.04Å; E109-T112 PolarHBondContact O-OG1 3.32Å; T112-T114 PolarHBondContact O-N 2.94Å; T112-L115 PolarHBondContact O-N 2.94Å; T112-K116 WeakPolarHBondContact O-CB 3.47Å; T112-K116 PolarHBondContact O-N 3.45Å
113	S	88.9	Confident	79.9	Confident	61 Å²	61	36.9 Å²	36.9	43%	0.427	20%	0.199	S	C	.	.	H	α-helix	trans	-61.4	-41.4	178.6	63	0	0	0	0	112.8	E109	E109-S113 WeakPolarHBondContact O-CB 3.47Å; E109-S113 PolarHBondContact O-N 2.94Å; E109-S113 PolarHBondContact O-OG 3.41Å
114	T	92.1	Very high	80	Confident	26 Å²	26	42.8 Å²	42.8	16%	0.16	23%	0.226	C	C	.	.	H	α-helix	trans	-69.1	-44.7	178.7	-56.4	0	0	0	0	111.4	A79 R80 C83 E110 Y111 T112 K116 V117	A79-T114 HydrophobicContact CB-CG2 4.22Å; R80-T114 HydrophobicContact CG-CG2 3.98Å; C83-T114 HydrophobicContact CB-CG2 3.9Å; E110-T114 WeakPolarHBondContact O-CB 3.5Å; E110-T114 PolarHBondContact O-N 3.38Å; E110-T114 PolarHBondContact O-OG1 3.36Å; Y111-T114 PolarHBondContact O-N 3.12Å; T112-T114 PolarHBondContact O-N 2.94Å; T114-K116 VanDerWaalsContact C-N 3.3Å; T114-K116 PolarHBondContact O-N 2.94Å; T114-V117 VanDerWaalsContact O-CG1 3.32Å; T114-V117 WeakPolarHBondContact O-CG1 3.46Å
115	L	90.8	Very high	80.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-77.9	-15.4	-176.9	-65.9	170.8	0	0	0	113.1	L82 C83 L100 Y111 T112 V117 L118	L82-L115 HydrophobicContact CD2-CD1 4.13Å; L82-L115 HydrophobicContact CG-CD2 4.35Å; C83-L115 HydrophobicContact CB-CD2 3.85Å; L100-L115 HydrophobicContact CB-CD1 3.63Å; L100-L115 HydrophobicContact CD1-CD1 3.96Å; L100-L115 HydrophobicContact CG-CD1 4.46Å; Y111-L115 HydrophobicContact CD1-CD1 4.49Å; Y111-L115 WeakPolarHBondContact O-CB 3.28Å; Y111-L115 VanDerWaalsContact O-CG 3.29Å; Y111-L115 WeakPolarHBondContact O-CG 3.39Å; Y111-L115 PolarHBondContact O-N 3.4Å; T112-L115 PolarHBondContact O-N 2.94Å; L115-V117 PolarHBondContact O-N 3.32Å; L115-V117 VanDerWaalsContact O-N 3.13Å; L115-L118 HydrophobicContact CB-CD1 4.29Å; L115-L118 HydrophobicContact CD2-CD1 3.64Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 WeakPolarHBondContact O-CG 3.48Å; L115-L118 PolarHBondContact O-N 3.42Å
116	K	86.1	Confident	81.9	Confident	100 Å²	100	44.8 Å²	44.8	44%	0.435	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-55.3	-31.3	177.8	-156.8	160.5	-169.5	153.9	0	113	D104 T112 T114 L118 H119	D104-K116 IonicContact OD1-NZ 3.87Å; D104-K116 IonicContact OD2-NZ 2.7Å; D104-K116 PolarHBondContact OD2-NZ 3.38Å; T112-K116 WeakPolarHBondContact O-CB 3.47Å; T112-K116 PolarHBondContact O-N 3.45Å; T114-K116 VanDerWaalsContact C-N 3.3Å; T114-K116 PolarHBondContact O-N 2.94Å; K116-L118 PolarHBondContact O-N 2.93Å; K116-H119 WeakPolarHBondContact O-CB 3.48Å; K116-H119 PolarHBondContact O-CD2 3.5Å; K116-H119 PolarHBondContact O-N 3.44Å; K116-H119 VanDerWaalsContact O-N 3.13Å
117	V	85.1	Confident	83	Confident	45 Å²	45	46.2 Å²	46.2	27%	0.273	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-60.8	-26	176.7	74.9	0	0	0	0	113	T114 L115 H119 S120 Q121	T114-V117 VanDerWaalsContact O-CG1 3.32Å; T114-V117 WeakPolarHBondContact O-CG1 3.46Å; L115-V117 PolarHBondContact O-N 3.32Å; L115-V117 VanDerWaalsContact O-N 3.13Å; V117-H119 PolarHBondContact O-N 3.49Å; V117-H119 VanDerWaalsContact O-N 3.13Å; V117-S120 PolarHBondContact O-N 2.91Å; V117-S120 PolarHBondContact O-OG 3.49Å; V117-Q121 HydrophobicContact CG2-CB 4.41Å; V117-Q121 VanDerWaalsContact CG2-CD 3.45Å; V117-Q121 HydrophobicContact CG2-CG 3.9Å; V117-Q121 PolarHBondContact O-N 3.03Å
118	L	85.4	Confident	83.5	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.5	-16.8	178.6	-62.3	176.6	0	0	0	112.5	C86 C87 I94 Q98 L115 K116	C86-L118 HydrophobicContact CB-CD1 3.69Å; C86-L118 HydrophobicContact CB-CD2 4.08Å; C87-L118 WeakPolarHBondContact SG-CD2 3.37Å; I94-L118 HydrophobicContact CG1-CD2 4.47Å; I94-L118 HydrophobicContact CG2-CB 4.28Å; Q98-L118 HydrophobicContact CG-CB 4.05Å; Q98-L118 PolarHBondContact NE2-O 2.78Å; L115-L118 HydrophobicContact CB-CD1 4.29Å; L115-L118 HydrophobicContact CD2-CD1 3.64Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 WeakPolarHBondContact O-CG 3.48Å; L115-L118 PolarHBondContact O-N 3.42Å; K116-L118 PolarHBondContact O-N 2.93Å
119	H	77.9	Confident	83.9	Confident	26 Å²	26	52.1 Å²	52.1	12%	0.12	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-78.8	-22.9	173.2	-70.3	-82.6	0	0	0	114	Q98 K116 V117 H310	Q98-H119 VanDerWaalsContact CB-CE1 3.43Å; Q98-H119 WeakPolarHBondContact CB-CE1 3.46Å; Q98-H119 PolarHBondContact O-CE1 3.28Å; Q98-H119 PolarHBondContact O-NE2 3.11Å; K116-H119 WeakPolarHBondContact O-CB 3.48Å; K116-H119 PolarHBondContact O-CD2 3.5Å; K116-H119 PolarHBondContact O-N 3.44Å; K116-H119 VanDerWaalsContact O-N 3.13Å; V117-H119 PolarHBondContact O-N 3.49Å; V117-H119 VanDerWaalsContact O-N 3.13Å; H119-H310 WeakPolarHBondContact CB-NE2 3.4Å; H119-H310 AromaticContact CE1-CD2 3.62Å; H119-H310 AromaticContact CG-CD2 3.54Å; H119-H310 AromaticContact CG-CE1 3.98Å; H119-H310 AromaticContact CG-NE2 3.31Å; H119-H310 VanDerWaalsContact CG-NE2 3.31Å; H119-H310 AromaticContact ND1-CD2 3.16Å; H119-H310 PolarHBondContact ND1-CD2 3.42Å; H119-H310 AromaticContact ND1-CE1 3.99Å; H119-H310 AromaticContact ND1-CG 3.68Å; H119-H310 AromaticContact ND1-NE2 3.43Å; H119-H310 PolarHBondContact ND1-NE2 2.97Å
120	S	67.6	Low	84.3	Confident	93 Å²	93	47.3 Å²	47.3	65%	0.65	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-20.2	-176.8	57.9	0	0	0	0	113.8	V117	V117-S120 PolarHBondContact O-N 2.91Å; V117-S120 PolarHBondContact O-OG 3.49Å
121	Q	63.1	Low	84.4	Confident	130 Å²	130	50.2 Å²	50.2	61%	0.607	26%	0.264	S	S	*	.			trans	-116	61.5	-176.5	-63.9	-175	9	0	0	112.3	V117	V117-Q121 HydrophobicContact CG2-CB 4.41Å; V117-Q121 VanDerWaalsContact CG2-CD 3.45Å; V117-Q121 HydrophobicContact CG2-CG 3.9Å; V117-Q121 PolarHBondContact O-N 3.03Å
122	A	68.2	Low	84.6	Confident	14 Å²	14	52.4 Å²	52.4	12%	0.116	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-79.6	139	172.7	0	0	0	0	0	111.1	T156 A157	A122-T156 HydrophobicContact CB-CG2 3.75Å; A122-A157 WeakPolarHBondContact CB-O 3.23Å
123	P	69	Low	84.9	Confident	39 Å²	39	52.2 Å²	52.2	25%	0.253	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-66.8	136	178.4	27.9	-34.9	0	0	0	111	R90 I94 T156 H179	R90-P123 HydrophobicContact CB-CG 3.96Å; R90-P123 HydrophobicContact CG-CB 4.28Å; R90-P123 HydrophobicContact CG-CG 3.79Å; I94-P123 HydrophobicContact CD1-CG 3.81Å; P123-T156 VanDerWaalsContact O-CG2 3.25Å; P123-T156 WeakPolarHBondContact O-CG2 3.39Å; P123-H179 PolarHBondContact O-CE1 3.35Å; P123-H179 PolarHBondContact O-NE2 3.18Å
124	Q	82.8	Confident	85.3	Confident	133 Å²	133	49.3 Å²	49.3	62%	0.621	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-86.6	134.7	177.7	-72.2	176.5	-12	0	0	110.9	P153 T156	Q124-P153 HydrophobicContact CG-CG 4.39Å; Q124-T156 HydrophobicContact CG-CG2 3.95Å; Q124-T156 VanDerWaalsContact CG-OG1 3.23Å; Q124-T156 WeakPolarHBondContact CG-OG1 3.24Å; Q124-T156 PolarHBondContact NE2-OG1 3.3Å
125	S	86.3	Confident	85.4	Confident	19 Å²	19	53.3 Å²	53.3	13%	0.133	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-76.5	149	165.3	-77.2	0	0	0	0	110.2	E129 Q161 H179	S125-E129 WeakPolarHBondContact CA-OE2 3.26Å; S125-E129 WeakPolarHBondContact CB-OE2 3.41Å; S125-Q161 PolarHBondContact O-NE2 2.92Å; S125-Q161 PolarHBondContact O-OE1 2.95Å; S125-H179 PolarHBondContact OG-ND1 3.34Å
126	S	89.9	Confident	85.6	Confident	54 Å²	54	58.1 Å²	58.1	38%	0.378	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-64.7	151.6	175.4	65.9	0	0	0	0	110.9	Q128 E129 I130	S126-Q128 PolarHBondContact O-N 3.38Å; S126-Q128 VanDerWaalsContact O-N 3.14Å; S126-E129 PolarHBondContact N-OE2 3.09Å; S126-E129 WeakPolarHBondContact O-CB 3.34Å; S126-E129 PolarHBondContact O-N 3.3Å; S126-E129 VanDerWaalsContact OG-CG 3.3Å; S126-E129 WeakPolarHBondContact OG-CG 3.28Å; S126-E129 PolarHBondContact OG-N 3.49Å; S126-E129 PolarHBondContact OG-OE2 2.94Å; S126-E129 VanDerWaalsContact OG-OE2 3.05Å; S126-I130 PolarHBondContact O-N 3.25Å; S126-I130 VanDerWaalsContact O-N 3.09Å
127	M	92	Very high	86.1	Confident	33 Å²	33	55.5 Å²	55.5	16%	0.163	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-26.4	177.9	-165.9	60.1	-138.2	0	0	112.7	I130 R131 I142 F149 D151	M127-I130 HydrophobicContact CE-CB 4.02Å; M127-I130 HydrophobicContact CE-CG2 3.73Å; M127-I130 PolarHBondContact O-N 3.24Å; M127-I130 HydrophobicContact SD-CB 4.29Å; M127-I130 HydrophobicContact SD-CG2 4.36Å; M127-R131 HydrophobicContact CE-CG 3.87Å; M127-R131 WeakPolarHBondContact O-CB 3.33Å; M127-R131 WeakPolarHBondContact O-CG 3.41Å; M127-R131 PolarHBondContact O-N 3.01Å; M127-I142 HydrophobicContact CE-CD1 3.4Å; M127-I142 VanDerWaalsContact CE-CD1 3.4Å; M127-F149 HydrophobicContact CE-CD1 3.99Å; M127-F149 HydrophobicContact CE-CE1 3.4Å; M127-F149 HydrophobicContact CE-CZ 4.1Å; M127-F149 HydrophobicContact SD-CE1 4.11Å; M127-D151 HydrophobicContact CG-CB 4.25Å; M127-D151 WeakPolarHBondContact CG-OD1 3.37Å; M127-D151 HydrophobicContact SD-CB 4.18Å
128	Q	91.2	Very high	86.6	Confident	108 Å²	108	54.9 Å²	54.9	51%	0.505	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-46	173.3	-68.1	179.7	-13.6	0	0	111.7	S126 I130 R131 Q132	S126-Q128 PolarHBondContact O-N 3.38Å; S126-Q128 VanDerWaalsContact O-N 3.14Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.12Å; Q128-R131 PolarHBondContact O-N 3.39Å; Q128-Q132 WeakPolarHBondContact O-CB 3.48Å; Q128-Q132 PolarHBondContact O-N 3.24Å
129	E	90.8	Very high	87.1	Confident	35 Å²	35	57.9 Å²	57.9	16%	0.164	31%	0.306	C	S	.	.	H	α-helix	trans	-60.8	-39.7	174.6	-76.6	169.3	140.3	0	0	111.3	S125 S126 Q132 V133 P180 K181	S125-E129 WeakPolarHBondContact CA-OE2 3.26Å; S125-E129 WeakPolarHBondContact CB-OE2 3.41Å; S126-E129 PolarHBondContact N-OE2 3.09Å; S126-E129 WeakPolarHBondContact O-CB 3.34Å; S126-E129 PolarHBondContact O-N 3.3Å; S126-E129 VanDerWaalsContact OG-CG 3.3Å; S126-E129 WeakPolarHBondContact OG-CG 3.28Å; S126-E129 PolarHBondContact OG-N 3.49Å; S126-E129 PolarHBondContact OG-OE2 2.94Å; S126-E129 VanDerWaalsContact OG-OE2 3.05Å; E129-Q132 WeakPolarHBondContact O-CB 3.25Å; E129-Q132 PolarHBondContact O-N 2.86Å; E129-V133 VanDerWaalsContact O-CG2 3.26Å; E129-V133 WeakPolarHBondContact O-CG2 3.32Å; E129-V133 PolarHBondContact O-N 3.31Å; E129-P180 HydrophobicContact CB-CG 3.71Å; E129-P180 HydrophobicContact CG-CG 4.11Å; E129-K181 WeakPolarHBondContact OE1-CE 3.21Å; E129-K181 IonicContact OE1-NZ 3.52Å; E129-K181 PolarHBondContact OE1-NZ 3.47Å
130	I	93.6	Very high	87.8	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-46.1	177.1	-61.8	-56.7	0	0	0	112.2	S126 M127 Q128 Q132 V133 I134 F149 Q161 V177	S126-I130 PolarHBondContact O-N 3.25Å; S126-I130 VanDerWaalsContact O-N 3.09Å; M127-I130 HydrophobicContact CE-CB 4.02Å; M127-I130 HydrophobicContact CE-CG2 3.73Å; M127-I130 PolarHBondContact O-N 3.24Å; M127-I130 HydrophobicContact SD-CB 4.29Å; M127-I130 HydrophobicContact SD-CG2 4.36Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.12Å; I130-Q132 PolarHBondContact O-N 3.47Å; I130-V133 PolarHBondContact O-N 3.48Å; I130-I134 HydrophobicContact CG2-CD1 3.97Å; I130-I134 WeakPolarHBondContact O-CG1 3.36Å; I130-I134 PolarHBondContact O-N 3.5Å; I130-F149 HydrophobicContact CG2-CZ 4.43Å; I130-Q161 HydrophobicContact CD1-CG 3.54Å; I130-Q161 HydrophobicContact CG1-CG 4.2Å; I130-Q161 VanDerWaalsContact CG1-NE2 3.29Å; I130-V177 HydrophobicContact CD1-CB 4.04Å; I130-V177 HydrophobicContact CD1-CG1 3.85Å; I130-V177 HydrophobicContact CG2-CB 4.34Å; I130-V177 HydrophobicContact CG2-CG1 4.22Å; I130-V177 HydrophobicContact CG2-CG2 4.14Å
131	R	94.3	Very high	89.1	Confident	95 Å²	95	60.4 Å²	60.4	36%	0.358	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-40.1	173.6	-78.2	172.1	-169.5	156.7	9.9	111.4	M127 Q128 R135 I142 D151	M127-R131 HydrophobicContact CE-CG 3.87Å; M127-R131 WeakPolarHBondContact O-CB 3.33Å; M127-R131 WeakPolarHBondContact O-CG 3.41Å; M127-R131 PolarHBondContact O-N 3.01Å; Q128-R131 PolarHBondContact O-N 3.39Å; R131-R135 VanDerWaalsContact O-CB 3.32Å; R131-R135 WeakPolarHBondContact O-CB 3.32Å; R131-R135 PolarHBondContact O-N 3.49Å; R131-I142 HydrophobicContact CG-CD1 3.49Å; R131-I142 VanDerWaalsContact CG-CD1 3.49Å; R131-I142 HydrophobicContact CG-CG1 4.24Å; R131-D151 VanDerWaalsContact NH2-CG 3.33Å; R131-D151 IonicContact NH2-OD1 3.49Å; R131-D151 PolarHBondContact NH2-OD1 2.96Å; R131-D151 IonicContact NH2-OD2 2.7Å; R131-D151 PolarHBondContact NH2-OD2 2.8Å
132	Q	93.6	Very high	90.6	Very high	84 Å²	84	55.1 Å²	55.1	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-50.2	176.5	177.7	178.5	-2.8	0	0	111.5	Q128 E129 I130 I134 R135 E136	Q128-Q132 WeakPolarHBondContact O-CB 3.48Å; Q128-Q132 PolarHBondContact O-N 3.24Å; E129-Q132 WeakPolarHBondContact O-CB 3.25Å; E129-Q132 PolarHBondContact O-N 2.86Å; I130-Q132 PolarHBondContact O-N 3.47Å; Q132-I134 PolarHBondContact O-N 2.93Å; Q132-R135 PolarHBondContact O-N 3.33Å; Q132-E136 HydrophobicContact CG-CG 4.26Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.32Å; Q132-E136 PolarHBondContact NE2-OE1 3.24Å; Q132-E136 WeakPolarHBondContact O-CB 3.33Å; Q132-E136 VanDerWaalsContact O-CG 3.26Å; Q132-E136 WeakPolarHBondContact O-CG 3.36Å; Q132-E136 PolarHBondContact O-N 3.42Å
133	V	94.6	Very high	91.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-47.5	178.3	177.8	0	0	0	0	111.1	E129 I130 R135 E136 D137 V177 P180 R259 V260	E129-V133 VanDerWaalsContact O-CG2 3.26Å; E129-V133 WeakPolarHBondContact O-CG2 3.32Å; E129-V133 PolarHBondContact O-N 3.31Å; I130-V133 PolarHBondContact O-N 3.48Å; V133-R135 VanDerWaalsContact C-N 3.34Å; V133-R135 PolarHBondContact O-N 2.61Å; V133-E136 PolarHBondContact O-N 3.36Å; V133-D137 WeakPolarHBondContact O-CB 3.41Å; V133-D137 PolarHBondContact O-N 3.27Å; V133-V177 HydrophobicContact CB-CG1 3.71Å; V133-V177 HydrophobicContact CG1-CG1 3.56Å; V133-V177 HydrophobicContact CG2-CG1 4.29Å; V133-P180 HydrophobicContact CG2-CB 3.97Å; V133-P180 HydrophobicContact CG2-CG 3.68Å; V133-R259 HydrophobicContact CG1-CB 4.04Å; V133-V260 HydrophobicContact CG1-CG2 4.04Å
134	I	96	Very high	93.1	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-45.6	179.4	-70.8	173.2	0	0	0	110.9	I130 Q132 L138 I142 L145 F149 V177	I130-I134 HydrophobicContact CG2-CD1 3.97Å; I130-I134 WeakPolarHBondContact O-CG1 3.36Å; I130-I134 PolarHBondContact O-N 3.5Å; Q132-I134 PolarHBondContact O-N 2.93Å; I134-L138 HydrophobicContact CG2-CD1 4.3Å; I134-L138 VanDerWaalsContact O-CB 3.31Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 PolarHBondContact O-N 2.97Å; I134-I142 HydrophobicContact CD1-CD1 3.9Å; I134-I142 HydrophobicContact CD1-CG1 3.93Å; I134-I142 HydrophobicContact CG2-CG1 4.13Å; I134-L145 HydrophobicContact CG2-CD1 3.66Å; I134-F149 HydrophobicContact CD1-CE2 4.09Å; I134-F149 HydrophobicContact CD1-CZ 4.18Å; I134-V177 HydrophobicContact CD1-CG2 4.15Å; I134-V177 HydrophobicContact CG1-CG2 4.16Å
135	R	96	Very high	93.7	Very high	110 Å²	110	56.9 Å²	56.9	42%	0.415	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-45.9	178.9	-177.6	-168	-65.5	117.6	4.9	112.2	R131 Q132 V133 G139 E141	R131-R135 VanDerWaalsContact O-CB 3.32Å; R131-R135 WeakPolarHBondContact O-CB 3.32Å; R131-R135 PolarHBondContact O-N 3.49Å; Q132-R135 PolarHBondContact O-N 3.33Å; V133-R135 VanDerWaalsContact C-N 3.34Å; V133-R135 PolarHBondContact O-N 2.61Å; R135-G139 WeakPolarHBondContact O-CA 3.3Å; R135-G139 PolarHBondContact O-N 2.71Å; R135-E141 IonicContact CZ-OE1 2.69Å; R135-E141 IonicContact CZ-OE2 3.6Å; R135-E141 IonicContact NE-OE1 3.08Å; R135-E141 PolarHBondContact NE-OE1 2.99Å; R135-E141 IonicContact NE-OE2 3.7Å; R135-E141 IonicContact NH2-OE1 3.84Å; R135-E141 PolarHBondContact NH2-OE1 3.46Å; R135-E141 IonicContact NH2-OE2 3.3Å; R135-E141 PolarHBondContact NH2-OE2 2.75Å
136	E	94.9	Very high	94.2	Very high	101 Å²	101	56.3 Å²	56.3	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-43.6	-179.6	-75.5	171.5	178.1	0	0	111.9	Q132 V133 R259	Q132-E136 HydrophobicContact CG-CG 4.26Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.32Å; Q132-E136 PolarHBondContact NE2-OE1 3.24Å; Q132-E136 WeakPolarHBondContact O-CB 3.33Å; Q132-E136 VanDerWaalsContact O-CG 3.26Å; Q132-E136 WeakPolarHBondContact O-CG 3.36Å; Q132-E136 PolarHBondContact O-N 3.42Å; V133-E136 PolarHBondContact O-N 3.36Å; E136-R259 IonicContact OE2-CZ 2.73Å; E136-R259 IonicContact OE2-NH1 3.87Å; E136-R259 PolarHBondContact OE2-NH1 3.25Å; E136-R259 IonicContact OE2-NH2 2.87Å; E136-R259 PolarHBondContact OE2-NH2 3.48Å
137	D	95.8	Very high	94.6	Very high	44 Å²	44	59.9 Å²	59.9	24%	0.235	29%	0.292	C	S	.	.	H	α-helix	trans	-89.2	-36.9	-171.7	-85.5	-118.8	0	0	0	113.4	V133 T257 R259 V260	V133-D137 WeakPolarHBondContact O-CB 3.41Å; V133-D137 PolarHBondContact O-N 3.27Å; D137-T257 HydrophobicContact CB-CG2 4.12Å; D137-T257 PolarHBondContact OD1-OG1 3.11Å; D137-R259 VanDerWaalsContact OD1-CB 3.32Å; D137-R259 WeakPolarHBondContact OD1-CB 3.43Å; D137-R259 VanDerWaalsContact OD2-CD 3.29Å; D137-R259 WeakPolarHBondContact OD2-CD 3.45Å; D137-R259 IonicContact OD2-CZ 2.94Å; D137-R259 VanDerWaalsContact OD2-CZ 3.27Å; D137-R259 IonicContact OD2-NE 2.86Å; D137-R259 PolarHBondContact OD2-NE 2.99Å; D137-R259 IonicContact OD2-NH1 2.93Å; D137-R259 PolarHBondContact OD2-NH1 3.02Å; D137-V260 HydrophobicContact CB-CG2 4.21Å
138	L	95.6	Very high	94.9	Very high	33 Å²	33	61.2 Å²	61.2	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-101.3	-6.9	-178	-61.4	178.6	0	0	0	113.5	I134 K140 L145 T257 V260	I134-L138 HydrophobicContact CG2-CD1 4.3Å; I134-L138 VanDerWaalsContact O-CB 3.31Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 PolarHBondContact O-N 2.97Å; L138-K140 PolarHBondContact O-N 3.48Å; L138-K140 VanDerWaalsContact O-N 3.16Å; L138-L145 HydrophobicContact CB-CD1 4.13Å; L138-L145 HydrophobicContact CD1-CD1 3.68Å; L138-T257 HydrophobicContact CD2-CG2 3.61Å; L138-V260 HydrophobicContact CD1-CG1 4.18Å
139	G	95	Very high	95.2	Very high	64 Å²	64	57.5 Å²	57.5	66%	0.66	29%	0.287	S	S	*	.	S	Bend	trans	66.7	12.5	177.3	0	0	0	0	0	114.9	R135	R135-G139 WeakPolarHBondContact O-CA 3.3Å; R135-G139 PolarHBondContact O-N 2.71Å
140	K	94.1	Very high	95.4	Very high	113 Å²	113	59.2 Å²	59.2	49%	0.491	30%	0.297	S	S	.	.	S	Bend	trans	-137.6	156.9	-174.4	-69.2	-177.7	179	179.8	0	111	L138 D144 L145	L138-K140 PolarHBondContact O-N 3.48Å; L138-K140 VanDerWaalsContact O-N 3.16Å; K140-D144 HydrophobicContact CB-CB 4.21Å; K140-L145 HydrophobicContact CB-CD1 4.19Å; K140-L145 HydrophobicContact CB-CD2 3.9Å; K140-L145 HydrophobicContact CB-CG 3.85Å; K140-L145 HydrophobicContact CD-CD2 3.66Å; K140-L145 HydrophobicContact CD-CG 4.4Å; K140-L145 HydrophobicContact CG-CD2 4.38Å
141	E	94.3	Very high	95.4	Very high	58 Å²	58	63.1 Å²	63.1	27%	0.271	32%	0.318	S	S	.	.			trans	-79.6	159.5	172.7	-63.5	-69.5	172.1	0	0	111.1	R135 H143 D144 L145	R135-E141 IonicContact CZ-OE1 2.69Å; R135-E141 IonicContact CZ-OE2 3.6Å; R135-E141 IonicContact NE-OE1 3.08Å; R135-E141 PolarHBondContact NE-OE1 2.99Å; R135-E141 IonicContact NE-OE2 3.7Å; R135-E141 IonicContact NH2-OE1 3.84Å; R135-E141 PolarHBondContact NH2-OE1 3.46Å; R135-E141 IonicContact NH2-OE2 3.3Å; R135-E141 PolarHBondContact NH2-OE2 2.75Å; E141-H143 WeakPolarHBondContact CB-CE1 3.41Å; E141-H143 WeakPolarHBondContact CB-ND1 3.46Å; E141-H143 PolarHBondContact O-N 2.7Å; E141-D144 WeakPolarHBondContact CB-OD2 3.3Å; E141-D144 PolarHBondContact N-OD2 3.14Å; E141-D144 VanDerWaalsContact N-OD2 3.14Å; E141-D144 WeakPolarHBondContact O-CB 3.08Å; E141-D144 PolarHBondContact O-N 3.35Å; E141-L145 WeakPolarHBondContact O-CG 3.49Å; E141-L145 PolarHBondContact O-N 3.18Å
142	I	94.6	Very high	95.3	Very high	20 Å²	20	63.1 Å²	63.1	10%	0.103	33%	0.329	C	S	.	.	H	α-helix	trans	-54.2	-41.3	178.2	-68.4	-175.3	0	0	0	111.6	M127 R131 I134 D144 L145 F146 F149	M127-I142 HydrophobicContact CE-CD1 3.4Å; M127-I142 VanDerWaalsContact CE-CD1 3.4Å; R131-I142 HydrophobicContact CG-CD1 3.49Å; R131-I142 VanDerWaalsContact CG-CD1 3.49Å; R131-I142 HydrophobicContact CG-CG1 4.24Å; I134-I142 HydrophobicContact CD1-CD1 3.9Å; I134-I142 HydrophobicContact CD1-CG1 3.93Å; I134-I142 HydrophobicContact CG2-CG1 4.13Å; I142-D144 VanDerWaalsContact C-N 3.28Å; I142-D144 PolarHBondContact O-N 2.94Å; I142-L145 PolarHBondContact O-N 3.14Å; I142-F146 HydrophobicContact CG2-CD2 3.94Å; I142-F146 WeakPolarHBondContact O-CD2 3.2Å; I142-F146 PolarHBondContact O-N 3.03Å; I142-F149 HydrophobicContact CD1-CD1 4.17Å; I142-F149 HydrophobicContact CD1-CD2 4.48Å; I142-F149 HydrophobicContact CD1-CE1 4.19Å; I142-F149 HydrophobicContact CD1-CE2 4.47Å; I142-F149 HydrophobicContact CD1-CG 4.32Å; I142-F149 HydrophobicContact CD1-CZ 4.32Å; I142-F149 HydrophobicContact CG2-CB 3.41Å; I142-F149 VanDerWaalsContact CG2-CB 3.41Å; I142-F149 HydrophobicContact CG2-CD1 4.27Å; I142-F149 HydrophobicContact CG2-CD2 3.87Å; I142-F149 HydrophobicContact CG2-CG 3.6Å
143	H	94.3	Very high	95.3	Very high	130 Å²	130	60.3 Å²	60.3	60%	0.602	32%	0.318	S	S	*	.	H	α-helix	trans	-69.6	-23.7	-178.2	64.2	-93.1	0	0	0	113.5	E141	E141-H143 WeakPolarHBondContact CB-CE1 3.41Å; E141-H143 WeakPolarHBondContact CB-ND1 3.46Å; E141-H143 PolarHBondContact O-N 2.7Å
144	D	95.1	Very high	95	Very high	81 Å²	81	64.5 Å²	64.5	43%	0.433	34%	0.34	S	S	.	.	H	α-helix	trans	-76.6	-31.1	174.2	-59.6	-45.1	0	0	0	111.4	K140 E141 I142 H168	K140-D144 HydrophobicContact CB-CB 4.21Å; E141-D144 WeakPolarHBondContact CB-OD2 3.3Å; E141-D144 PolarHBondContact N-OD2 3.14Å; E141-D144 VanDerWaalsContact N-OD2 3.14Å; E141-D144 WeakPolarHBondContact O-CB 3.08Å; E141-D144 PolarHBondContact O-N 3.35Å; I142-D144 VanDerWaalsContact C-N 3.28Å; I142-D144 PolarHBondContact O-N 2.94Å; D144-H168 PolarHBondContact O-CD2 3.34Å; D144-H168 PolarHBondContact O-NE2 3.37Å; D144-H168 VanDerWaalsContact O-NE2 3.1Å
145	L	95.3	Very high	94.3	Very high	12 Å²	12	66 Å²	66	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-87.8	-36.2	-175	-66.2	171.4	0	0	0	112.8	I134 L138 K140 E141 I142 L255	I134-L145 HydrophobicContact CG2-CD1 3.66Å; L138-L145 HydrophobicContact CB-CD1 4.13Å; L138-L145 HydrophobicContact CD1-CD1 3.68Å; K140-L145 HydrophobicContact CB-CD1 4.19Å; K140-L145 HydrophobicContact CB-CD2 3.9Å; K140-L145 HydrophobicContact CB-CG 3.85Å; K140-L145 HydrophobicContact CD-CD2 3.66Å; K140-L145 HydrophobicContact CD-CG 4.4Å; K140-L145 HydrophobicContact CG-CD2 4.38Å; E141-L145 WeakPolarHBondContact O-CG 3.49Å; E141-L145 PolarHBondContact O-N 3.18Å; I142-L145 PolarHBondContact O-N 3.14Å; L145-L255 HydrophobicContact CD2-CD2 3.92Å
146	F	97.4	Very high	93.5	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.6	-168.4	-54.2	-75.4	0	0	0	111.6	I142 S148 F149 A165 V166 L167 V173 V175 L262	I142-F146 HydrophobicContact CG2-CD2 3.94Å; I142-F146 WeakPolarHBondContact O-CD2 3.2Å; I142-F146 PolarHBondContact O-N 3.03Å; F146-S148 VanDerWaalsContact C-N 3.32Å; F146-F149 AromaticContact CD2-CD2 3.83Å; F146-F149 HydrophobicContact CD2-CD2 3.83Å; F146-F149 AromaticContact CE2-CD2 3.99Å; F146-F149 HydrophobicContact CE2-CD2 3.99Å; F146-F149 HydrophobicContact CE2-CE2 4.29Å; F146-F149 HydrophobicContact CG-CD2 4.32Å; F146-A165 HydrophobicContact CB-CB 4.41Å; F146-A165 HydrophobicContact CD1-CB 3.49Å; F146-A165 VanDerWaalsContact CD1-CB 3.49Å; F146-A165 HydrophobicContact CE1-CB 3.83Å; F146-A165 HydrophobicContact CG-CB 3.93Å; F146-V166 CarbonylContact C-O 3.52Å; F146-V166 WeakPolarHBondContact CA-O 3.33Å; F146-L167 HydrophobicContact CD1-CD2 3.8Å; F146-L167 HydrophobicContact CE1-CD2 3.81Å; F146-V173 HydrophobicContact CD1-CG2 4.46Å; F146-V173 HydrophobicContact CE1-CG2 4.05Å; F146-V175 HydrophobicContact CE1-CG2 3.8Å; F146-V175 HydrophobicContact CZ-CG1 4.37Å; F146-V175 HydrophobicContact CZ-CG2 3.7Å; F146-L262 HydrophobicContact CE1-CD2 3.7Å; F146-L262 HydrophobicContact CZ-CD1 4.43Å; F146-L262 HydrophobicContact CZ-CD2 3.89Å
147	Q	97.8	Very high	92.7	Very high	130 Å²	130	59 Å²	59	61%	0.607	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	-39.6	167.4	-176.1	-178.2	35.5	0	0	110.7	V166	Q147-V166 HydrophobicContact CB-CG1 4.44Å; Q147-V166 PolarHBondContact N-O 3.49Å
148	S	97.8	Very high	91.7	Very high	60 Å²	60	57.2 Å²	57.2	42%	0.42	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.6	173.1	66.9	0	0	0	0	110.7	F146 A165 V166	F146-S148 VanDerWaalsContact C-N 3.32Å; S148-A165 CarbonylContact O-C 3.46Å; S148-A165 VanDerWaalsContact O-CA 3.25Å; S148-A165 WeakPolarHBondContact O-CA 3.28Å; S148-A165 WeakPolarHBondContact O-CB 3.3Å; S148-V166 PolarHBondContact N-O 3.48Å; S148-V166 PolarHBondContact O-N 3.07Å; S148-V166 WeakPolarHBondContact OG-CB 3.5Å; S148-V166 WeakPolarHBondContact OG-CG2 3.46Å
149	F	97.6	Very high	91.3	Very high	30 Å²	30	56.1 Å²	56.1	13%	0.132	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.1	178.8	-172.8	-80.5	0	0	0	108	M127 I130 I134 I142 F146 D151 H163 A165 V175	M127-F149 HydrophobicContact CE-CD1 3.99Å; M127-F149 HydrophobicContact CE-CE1 3.4Å; M127-F149 HydrophobicContact CE-CZ 4.1Å; M127-F149 HydrophobicContact SD-CE1 4.11Å; I130-F149 HydrophobicContact CG2-CZ 4.43Å; I134-F149 HydrophobicContact CD1-CE2 4.09Å; I134-F149 HydrophobicContact CD1-CZ 4.18Å; I142-F149 HydrophobicContact CD1-CD1 4.17Å; I142-F149 HydrophobicContact CD1-CD2 4.48Å; I142-F149 HydrophobicContact CD1-CE1 4.19Å; I142-F149 HydrophobicContact CD1-CE2 4.47Å; I142-F149 HydrophobicContact CD1-CG 4.32Å; I142-F149 HydrophobicContact CD1-CZ 4.32Å; I142-F149 HydrophobicContact CG2-CB 3.41Å; I142-F149 VanDerWaalsContact CG2-CB 3.41Å; I142-F149 HydrophobicContact CG2-CD1 4.27Å; I142-F149 HydrophobicContact CG2-CD2 3.87Å; I142-F149 HydrophobicContact CG2-CG 3.6Å; F146-F149 AromaticContact CD2-CD2 3.83Å; F146-F149 HydrophobicContact CD2-CD2 3.83Å; F146-F149 AromaticContact CE2-CD2 3.99Å; F146-F149 HydrophobicContact CE2-CD2 3.99Å; F146-F149 HydrophobicContact CE2-CE2 4.29Å; F146-F149 HydrophobicContact CG-CD2 4.32Å; F149-D151 PolarHBondContact O-N 2.8Å; F149-H163 HydrophobicContact CE1-CB 3.71Å; F149-H163 AromaticContact CE1-CG 3.57Å; F149-H163 AromaticContact CE1-ND1 3.47Å; F149-H163 WeakPolarHBondContact CE1-ND1 3.44Å; F149-H163 HydrophobicContact CE2-CB 3.9Å; F149-H163 HydrophobicContact CZ-CB 3.3Å; F149-H163 AromaticContact CZ-CD2 3.94Å; F149-H163 AromaticContact CZ-CG 3.41Å; F149-H163 VanDerWaalsContact CZ-CG 3.41Å; F149-H163 AromaticContact CZ-ND1 3.83Å; F149-A165 HydrophobicContact CB-CB 4.49Å; F149-A165 HydrophobicContact CD2-CB 3.76Å; F149-A165 HydrophobicContact CE2-CB 4.45Å; F149-A165 HydrophobicContact CG-CB 4.44Å; F149-V175 HydrophobicContact CE2-CB 4.11Å; F149-V175 HydrophobicContact CE2-CG1 4.11Å; F149-V175 HydrophobicContact CE2-CG2 4.12Å
150	D	96.2	Very high	91	Very high	72 Å²	72	53.1 Å²	53.1	39%	0.385	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.7	177.4	-164.2	-19.6	0	0	0	109.4	T152 H163 K164	D150-T152 PolarHBondContact O-N 3.46Å; D150-T152 WeakPolarHBondContact OD1-CA 3.42Å; D150-T152 VanDerWaalsContact OD1-CB 3.29Å; D150-T152 WeakPolarHBondContact OD1-CB 3.34Å; D150-T152 PolarHBondContact OD1-N 2.77Å; D150-T152 PolarHBondContact OD1-OG1 2.81Å; D150-H163 PolarHBondContact O-ND1 2.93Å; D150-K164 HydrophobicContact CB-CB 4.22Å; D150-K164 WeakPolarHBondContact CB-O 3.37Å; D150-K164 PolarHBondContact N-O 2.85Å
151	D	93.4	Very high	90.9	Very high	81 Å²	81	47.9 Å²	47.9	43%	0.433	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	-21.7	175.5	-80.4	-9.2	0	0	0	111.2	M127 R131 F149 H163	M127-D151 HydrophobicContact CG-CB 4.25Å; M127-D151 WeakPolarHBondContact CG-OD1 3.37Å; M127-D151 HydrophobicContact SD-CB 4.18Å; R131-D151 VanDerWaalsContact NH2-CG 3.33Å; R131-D151 IonicContact NH2-OD1 3.49Å; R131-D151 PolarHBondContact NH2-OD1 2.96Å; R131-D151 IonicContact NH2-OD2 2.7Å; R131-D151 PolarHBondContact NH2-OD2 2.8Å; F149-D151 PolarHBondContact O-N 2.8Å; D151-H163 PolarHBondContact O-CE1 3.36Å
152	T	92.8	Very high	90.9	Very high	95 Å²	95	46.8 Å²	46.8	58%	0.583	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.1	172.9	-48.1	0	0	0	0	109.6	D150	D150-T152 PolarHBondContact O-N 3.46Å; D150-T152 WeakPolarHBondContact OD1-CA 3.42Å; D150-T152 VanDerWaalsContact OD1-CB 3.29Å; D150-T152 WeakPolarHBondContact OD1-CB 3.34Å; D150-T152 PolarHBondContact OD1-N 2.77Å; D150-T152 PolarHBondContact OD1-OG1 2.81Å
153	P	92.4	Very high	91	Very high	25 Å²	25	45.8 Å²	45.8	16%	0.162	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.7	177.1	28.7	-34	0	0	0	110.8	Q124 G155 Q161 V162	Q124-P153 HydrophobicContact CG-CG 4.39Å; P153-G155 PolarHBondContact O-N 2.93Å; P153-Q161 HydrophobicContact CB-CB 4.34Å; P153-V162 CarbonylContact C-O 3.47Å; P153-V162 VanDerWaalsContact CA-O 3.29Å; P153-V162 WeakPolarHBondContact CA-O 2.98Å
154	L	87.8	Confident	91.1	Very high	88 Å²	88	43.3 Å²	43.3	46%	0.461	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	-33.3	168.5	-70.3	171.4	0	0	0	111.6	V162 K164 F265	L154-V162 HydrophobicContact CD1-CG1 4.29Å; L154-V162 PolarHBondContact N-O 3.13Å; L154-K164 HydrophobicContact CD1-CB 3.82Å; L154-K164 HydrophobicContact CD1-CG 4.47Å; L154-K164 HydrophobicContact CD2-CB 4.07Å; L154-K164 HydrophobicContact CG-CB 3.95Å; L154-F265 HydrophobicContact CD1-CD2 4Å; L154-F265 HydrophobicContact CD1-CE2 3.62Å; L154-F265 HydrophobicContact CD2-CE2 4.29Å
155	G	83.3	Confident	91.3	Very high	32 Å²	32	39.5 Å²	39.5	33%	0.33	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	158.7	-178.1	0	0	0	0	0	111.4	P153 V162	P153-G155 PolarHBondContact O-N 2.93Å; G155-V162 PolarHBondContact O-N 3.22Å
156	T	78.8	Confident	91.4	Very high	30 Å²	30	40.2 Å²	40.2	18%	0.184	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.1	178.4	-46.3	0	0	0	0	108	A122 P123 Q124 Q161	A122-T156 HydrophobicContact CB-CG2 3.75Å; P123-T156 VanDerWaalsContact O-CG2 3.25Å; P123-T156 WeakPolarHBondContact O-CG2 3.39Å; Q124-T156 HydrophobicContact CG-CG2 3.95Å; Q124-T156 VanDerWaalsContact CG-OG1 3.23Å; Q124-T156 WeakPolarHBondContact CG-OG1 3.24Å; Q124-T156 PolarHBondContact NE2-OG1 3.3Å; T156-Q161 HydrophobicContact CG2-CB 4.32Å
157	A	77.1	Confident	91.4	Very high	35 Å²	35	40.3 Å²	40.3	29%	0.289	23%	0.232	S	C	.	.			trans	-114.5	175.7	177.4	0	0	0	0	0	109.6	A122 L159 A160 H179	A122-A157 WeakPolarHBondContact CB-O 3.23Å; A157-L159 VanDerWaalsContact C-N 3.27Å; A157-L159 PolarHBondContact O-N 3.34Å; A157-A160 CarbonylContact C-O 3.44Å; A157-A160 WeakPolarHBondContact CA-O 3.41Å; A157-A160 WeakPolarHBondContact CB-O 3.45Å; A157-A160 PolarHBondContact N-O 3.46Å; A157-H179 PolarHBondContact O-NE2 2.83Å
158	S	76.1	Confident	91.3	Very high	7 Å²	7	39.8 Å²	39.8	5%	0.049	23%	0.229	C	C	.	.	S	Bend	trans	-64.8	-27.6	-175.6	41.4	0	0	0	0	114.5	K95 Q98	K95-S158 WeakPolarHBondContact CD-OG 3.43Å; Q98-S158 VanDerWaalsContact OE1-CB 3.28Å; Q98-S158 PolarHBondContact OE1-OG 2.7Å
159	L	86.1	Confident	91.2	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.052	23%	0.232	C	C	.	.	S	Bend	trans	-114.4	-15.1	-175.7	-51.6	178.8	0	0	0	113.4	K95 A157 Q178 H179 V182 L220 E223 L224	K95-L159 HydrophobicContact CB-CD2 4.43Å; A157-L159 VanDerWaalsContact C-N 3.27Å; A157-L159 PolarHBondContact O-N 3.34Å; L159-Q178 WeakPolarHBondContact O-CA 3.43Å; L159-Q178 WeakPolarHBondContact O-CG 3.44Å; L159-H179 PolarHBondContact O-CD2 3.26Å; L159-H179 PolarHBondContact O-N 3.37Å; L159-V182 HydrophobicContact CD2-CG1 3.63Å; L159-L220 HydrophobicContact CD1-CD1 3.87Å; L159-L220 HydrophobicContact CD2-CD1 3.73Å; L159-L220 HydrophobicContact CG-CD1 4.48Å; L159-E223 HydrophobicContact CD1-CB 3.69Å; L159-L224 HydrophobicContact CB-CD2 4.43Å; L159-L224 HydrophobicContact CD1-CD2 4.22Å; L159-L224 HydrophobicContact CD2-CD2 4.31Å
160	A	89.8	Confident	91.1	Very high	1 Å²	1	42 Å²	42	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	166.5	-172.9	0	0	0	0	0	112.9	A157 K176 V177 H179 F226	A157-A160 CarbonylContact C-O 3.44Å; A157-A160 WeakPolarHBondContact CA-O 3.41Å; A157-A160 WeakPolarHBondContact CB-O 3.45Å; A157-A160 PolarHBondContact N-O 3.46Å; A160-K176 HydrophobicContact CB-CG 3.84Å; A160-V177 CarbonylContact C-O 3.5Å; A160-V177 WeakPolarHBondContact CA-O 3.32Å; A160-V177 WeakPolarHBondContact CB-O 3.22Å; A160-H179 PolarHBondContact N-CD2 3.08Å; A160-H179 VanDerWaalsContact N-CD2 3.29Å; A160-F226 HydrophobicContact CB-CE2 4.08Å; A160-F226 HydrophobicContact CB-CZ 3.62Å
161	Q	91.5	Very high	91.1	Very high	3 Å²	3	45 Å²	45	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	153	165.3	62.6	-165.7	67.9	0	0	111.2	S125 I130 P153 T156 H163 K176 V177 H179	S125-Q161 PolarHBondContact O-NE2 2.92Å; S125-Q161 PolarHBondContact O-OE1 2.95Å; I130-Q161 HydrophobicContact CD1-CG 3.54Å; I130-Q161 HydrophobicContact CG1-CG 4.2Å; I130-Q161 VanDerWaalsContact CG1-NE2 3.29Å; P153-Q161 HydrophobicContact CB-CB 4.34Å; T156-Q161 HydrophobicContact CG2-CB 4.32Å; Q161-H163 PolarHBondContact NE2-NE2 2.97Å; Q161-K176 CarbonylContact O-C 3.47Å; Q161-K176 WeakPolarHBondContact O-CA 3.41Å; Q161-V177 PolarHBondContact N-O 2.72Å; Q161-V177 PolarHBondContact O-N 3Å; Q161-H179 PolarHBondContact OE1-CE1 3.23Å
162	V	93.9	Very high	91.3	Very high	34 Å²	34	43.8 Å²	43.8	21%	0.206	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.5	-177.3	-174.2	0	0	0	0	108.9	P153 L154 G155 A174 V175 K176	P153-V162 CarbonylContact C-O 3.47Å; P153-V162 VanDerWaalsContact CA-O 3.29Å; P153-V162 WeakPolarHBondContact CA-O 2.98Å; L154-V162 HydrophobicContact CD1-CG1 4.29Å; L154-V162 PolarHBondContact N-O 3.13Å; G155-V162 PolarHBondContact O-N 3.22Å; V162-A174 HydrophobicContact CG1-CB 3.89Å; V162-V175 CarbonylContact C-O 3.52Å; V162-V175 WeakPolarHBondContact CA-O 3.38Å; V162-K176 HydrophobicContact CG2-CB 4.09Å; V162-K176 HydrophobicContact CG2-CG 4Å
163	H	96.1	Very high	91.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151.7	175.8	-69.9	-97.9	0	0	0	111	F149 D150 D151 Q161 A174 V175	F149-H163 HydrophobicContact CE1-CB 3.71Å; F149-H163 AromaticContact CE1-CG 3.57Å; F149-H163 AromaticContact CE1-ND1 3.47Å; F149-H163 WeakPolarHBondContact CE1-ND1 3.44Å; F149-H163 HydrophobicContact CE2-CB 3.9Å; F149-H163 HydrophobicContact CZ-CB 3.3Å; F149-H163 AromaticContact CZ-CD2 3.94Å; F149-H163 AromaticContact CZ-CG 3.41Å; F149-H163 VanDerWaalsContact CZ-CG 3.41Å; F149-H163 AromaticContact CZ-ND1 3.83Å; D150-H163 PolarHBondContact O-ND1 2.93Å; D151-H163 PolarHBondContact O-CE1 3.36Å; Q161-H163 PolarHBondContact NE2-NE2 2.97Å; H163-A174 CarbonylContact O-C 3.59Å; H163-A174 WeakPolarHBondContact O-CA 3.41Å; H163-V175 HydrophobicContact CB-CB 4.46Å; H163-V175 PolarHBondContact N-O 2.92Å; H163-V175 PolarHBondContact O-N 3.43Å
164	K	97.5	Very high	91.8	Very high	77 Å²	77	38.5 Å²	38.5	34%	0.335	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.1	169.1	-166.1	176.6	177.6	-177.9	0	109	D150 L154 T172 F265	D150-K164 HydrophobicContact CB-CB 4.22Å; D150-K164 WeakPolarHBondContact CB-O 3.37Å; D150-K164 PolarHBondContact N-O 2.85Å; L154-K164 HydrophobicContact CD1-CB 3.82Å; L154-K164 HydrophobicContact CD1-CG 4.47Å; L154-K164 HydrophobicContact CD2-CB 4.07Å; L154-K164 HydrophobicContact CG-CB 3.95Å; K164-T172 HydrophobicContact CD-CG2 4.43Å; K164-T172 VanDerWaalsContact CE-CG2 3.47Å; K164-T172 HydrophobicContact CG-CG2 4.08Å; K164-F265 HydrophobicContact CD-CE2 4.2Å; K164-F265 HydrophobicContact CD-CZ 4.25Å; K164-F265 HydrophobicContact CG-CD2 4.25Å; K164-F265 HydrophobicContact CG-CE2 4.3Å
165	A	97.8	Very high	92.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.7	172.9	0	0	0	0	0	111.5	F146 S148 F149 T172 V173 V175	F146-A165 HydrophobicContact CB-CB 4.41Å; F146-A165 HydrophobicContact CD1-CB 3.49Å; F146-A165 VanDerWaalsContact CD1-CB 3.49Å; F146-A165 HydrophobicContact CE1-CB 3.83Å; F146-A165 HydrophobicContact CG-CB 3.93Å; S148-A165 CarbonylContact O-C 3.46Å; S148-A165 VanDerWaalsContact O-CA 3.25Å; S148-A165 WeakPolarHBondContact O-CA 3.28Å; S148-A165 WeakPolarHBondContact O-CB 3.3Å; F149-A165 HydrophobicContact CB-CB 4.49Å; F149-A165 HydrophobicContact CD2-CB 3.76Å; F149-A165 HydrophobicContact CE2-CB 4.45Å; F149-A165 HydrophobicContact CG-CB 4.44Å; A165-T172 WeakPolarHBondContact O-CA 3.36Å; A165-V173 HydrophobicContact CB-CG2 4.01Å; A165-V173 PolarHBondContact N-O 3.16Å; A165-V173 PolarHBondContact O-N 3.43Å; A165-V175 HydrophobicContact CB-CG2 3.73Å
166	V	98.2	Very high	92.9	Very high	27 Å²	27	33.5 Å²	33.5	16%	0.164	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125	173	-176.7	0	0	0	0	108	F146 Q147 S148 R171	F146-V166 CarbonylContact C-O 3.52Å; F146-V166 WeakPolarHBondContact CA-O 3.33Å; Q147-V166 HydrophobicContact CB-CG1 4.44Å; Q147-V166 PolarHBondContact N-O 3.49Å; S148-V166 PolarHBondContact N-O 3.48Å; S148-V166 PolarHBondContact O-N 3.07Å; S148-V166 WeakPolarHBondContact OG-CB 3.5Å; S148-V166 WeakPolarHBondContact OG-CG2 3.46Å; V166-R171 WeakPolarHBondContact CA-O 3.43Å
167	L	97.3	Very high	93.7	Very high	9 Å²	9	32 Å²	32	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	160	174.7	-64.7	178.2	0	0	0	110.7	F146 D169 G170 R171 V173 L255 L262	F146-L167 HydrophobicContact CD1-CD2 3.8Å; F146-L167 HydrophobicContact CE1-CD2 3.81Å; L167-D169 WeakPolarHBondContact CB-OD1 3.21Å; L167-D169 PolarHBondContact O-N 3.48Å; L167-D169 VanDerWaalsContact O-N 3.09Å; L167-G170 PolarHBondContact O-N 3.13Å; L167-R171 HydrophobicContact CD1-CB 4.31Å; L167-R171 PolarHBondContact N-O 2.93Å; L167-V173 HydrophobicContact CD1-CG1 3.79Å; L167-V173 HydrophobicContact CD2-CG2 4.29Å; L167-V173 HydrophobicContact CG-CG1 3.96Å; L167-V173 HydrophobicContact CG-CG2 4.16Å; L167-L255 HydrophobicContact CD2-CD1 3.68Å; L167-L262 HydrophobicContact CD2-CD2 4.35Å
168	H	95.8	Very high	94.5	Very high	118 Å²	118	30.4 Å²	30.4	55%	0.546	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.2	178.4	-70.8	-63	0	0	0	114.5	D144 G170	D144-H168 PolarHBondContact O-CD2 3.34Å; D144-H168 PolarHBondContact O-NE2 3.37Å; D144-H168 VanDerWaalsContact O-NE2 3.1Å; H168-G170 VanDerWaalsContact C-N 3.32Å
169	D	95.5	Very high	95.1	Very high	91 Å²	91	30.6 Å²	30.6	49%	0.487	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.1	172.5	63.1	25.4	0	0	0	114.1	L167 R171	L167-D169 WeakPolarHBondContact CB-OD1 3.21Å; L167-D169 PolarHBondContact O-N 3.48Å; L167-D169 VanDerWaalsContact O-N 3.09Å; D169-R171 VanDerWaalsContact CG-NE 3.28Å; D169-R171 VanDerWaalsContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CB 3.27Å; D169-R171 VanDerWaalsContact OD1-CG 3.31Å; D169-R171 WeakPolarHBondContact OD1-CG 3.47Å; D169-R171 PolarHBondContact OD1-N 3.38Å; D169-R171 IonicContact OD1-NE 3.35Å; D169-R171 PolarHBondContact OD1-NE 3.16Å; D169-R171 VanDerWaalsContact OD1-NE 3.15Å; D169-R171 IonicContact OD2-CZ 3.83Å; D169-R171 IonicContact OD2-NE 3.66Å; D169-R171 PolarHBondContact OD2-NE 3.23Å; D169-R171 IonicContact OD2-NH2 3.48Å; D169-R171 PolarHBondContact OD2-NH2 2.81Å
170	G	96	Very high	94.9	Very high	45 Å²	45	31.7 Å²	31.7	46%	0.464	17%	0.168	S	C	.	.	S	Bend	trans	86.5	-5	177.7	0	0	0	0	0	115.2	L167 H168	L167-G170 PolarHBondContact O-N 3.13Å; H168-G170 VanDerWaalsContact C-N 3.32Å
171	R	96.3	Very high	94.3	Very high	137 Å²	137	34.3 Å²	34.3	52%	0.517	18%	0.18	S	C	.	.			trans	-70.4	132.4	177.2	-67.5	-178.9	-73.3	178.2	-4.5	110.9	V166 L167 D169	V166-R171 WeakPolarHBondContact CA-O 3.43Å; L167-R171 HydrophobicContact CD1-CB 4.31Å; L167-R171 PolarHBondContact N-O 2.93Å; D169-R171 VanDerWaalsContact CG-NE 3.28Å; D169-R171 VanDerWaalsContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CB 3.27Å; D169-R171 VanDerWaalsContact OD1-CG 3.31Å; D169-R171 WeakPolarHBondContact OD1-CG 3.47Å; D169-R171 PolarHBondContact OD1-N 3.38Å; D169-R171 IonicContact OD1-NE 3.35Å; D169-R171 PolarHBondContact OD1-NE 3.16Å; D169-R171 VanDerWaalsContact OD1-NE 3.15Å; D169-R171 IonicContact OD2-CZ 3.83Å; D169-R171 IonicContact OD2-NE 3.66Å; D169-R171 PolarHBondContact OD2-NE 3.23Å; D169-R171 IonicContact OD2-NH2 3.48Å; D169-R171 PolarHBondContact OD2-NH2 2.81Å
172	T	97.9	Very high	93.7	Very high	54 Å²	54	34.7 Å²	34.7	33%	0.331	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133	172.9	-52.4	0	0	0	0	110.2	K164 A165 F265	K164-T172 HydrophobicContact CD-CG2 4.43Å; K164-T172 VanDerWaalsContact CE-CG2 3.47Å; K164-T172 HydrophobicContact CG-CG2 4.08Å; A165-T172 WeakPolarHBondContact O-CA 3.36Å; T172-F265 HydrophobicContact CG2-CB 3.65Å; T172-F265 HydrophobicContact CG2-CD1 3.8Å; T172-F265 HydrophobicContact CG2-CG 3.77Å; T172-F265 WeakPolarHBondContact O-CB 3.44Å; T172-F265 PolarHBondContact O-N 3.42Å
173	V	97.9	Very high	92.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.3	-176.8	-63.3	0	0	0	0	111.5	F146 A165 L167 V175 L262 M263	F146-V173 HydrophobicContact CD1-CG2 4.46Å; F146-V173 HydrophobicContact CE1-CG2 4.05Å; A165-V173 HydrophobicContact CB-CG2 4.01Å; A165-V173 PolarHBondContact N-O 3.16Å; A165-V173 PolarHBondContact O-N 3.43Å; L167-V173 HydrophobicContact CD1-CG1 3.79Å; L167-V173 HydrophobicContact CD2-CG2 4.29Å; L167-V173 HydrophobicContact CG-CG1 3.96Å; L167-V173 HydrophobicContact CG-CG2 4.16Å; V173-V175 HydrophobicContact CG2-CG2 4.06Å; V173-L262 HydrophobicContact CG2-CD2 4.24Å; V173-M263 CarbonylContact C-O 3.5Å; V173-M263 WeakPolarHBondContact CA-O 3.46Å; V173-M263 WeakPolarHBondContact CB-O 3.36Å
174	A	97.7	Very high	91.9	Very high	9 Å²	9	42 Å²	42	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.9	164.8	0	0	0	0	0	108.8	V162 H163 L262 M263 F265	V162-A174 HydrophobicContact CG1-CB 3.89Å; H163-A174 CarbonylContact O-C 3.59Å; H163-A174 WeakPolarHBondContact O-CA 3.41Å; A174-L262 WeakPolarHBondContact O-CA 3.48Å; A174-M263 HydrophobicContact CB-CG 3.81Å; A174-M263 PolarHBondContact N-O 3.47Å; A174-M263 PolarHBondContact O-N 2.97Å; A174-F265 HydrophobicContact CB-CD2 4.45Å
175	V	97.6	Very high	91.1	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	99	-177.7	-174.8	0	0	0	0	108.1	F146 F149 V162 H163 A165 V173 V177 V260 L262	F146-V175 HydrophobicContact CE1-CG2 3.8Å; F146-V175 HydrophobicContact CZ-CG1 4.37Å; F146-V175 HydrophobicContact CZ-CG2 3.7Å; F149-V175 HydrophobicContact CE2-CB 4.11Å; F149-V175 HydrophobicContact CE2-CG1 4.11Å; F149-V175 HydrophobicContact CE2-CG2 4.12Å; V162-V175 CarbonylContact C-O 3.52Å; V162-V175 WeakPolarHBondContact CA-O 3.38Å; H163-V175 HydrophobicContact CB-CB 4.46Å; H163-V175 PolarHBondContact N-O 2.92Å; H163-V175 PolarHBondContact O-N 3.43Å; A165-V175 HydrophobicContact CB-CG2 3.73Å; V173-V175 HydrophobicContact CG2-CG2 4.06Å; V175-V177 HydrophobicContact CG1-CG2 3.78Å; V175-V260 HydrophobicContact CG1-CG1 4.23Å; V175-L262 HydrophobicContact CB-CD1 4.3Å; V175-L262 HydrophobicContact CG1-CD1 3.71Å; V175-L262 HydrophobicContact CG1-CG 4.45Å; V175-L262 HydrophobicContact CG2-CD1 4.18Å; V175-L262 HydrophobicContact CG2-CD2 4.48Å; V175-L262 HydrophobicContact CG2-CG 4.04Å
176	K	96.3	Very high	90.4	Very high	14 Å²	14	40.3 Å²	40.3	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.2	175.9	-174	-178	-166.1	-178.2	0	108.7	A160 Q161 V162 F226 E229 V260 L261 M263 D331	A160-K176 HydrophobicContact CB-CG 3.84Å; Q161-K176 CarbonylContact O-C 3.47Å; Q161-K176 WeakPolarHBondContact O-CA 3.41Å; V162-K176 HydrophobicContact CG2-CB 4.09Å; V162-K176 HydrophobicContact CG2-CG 4Å; K176-F226 HydrophobicContact CD-CE1 4.38Å; K176-F226 HydrophobicContact CD-CE2 4.2Å; K176-F226 HydrophobicContact CD-CZ 4.07Å; K176-F226 HydrophobicContact CG-CE2 3.9Å; K176-F226 HydrophobicContact CG-CZ 4.08Å; K176-E229 IonicContact NZ-OE1 3.15Å; K176-E229 PolarHBondContact NZ-OE1 2.79Å; K176-E229 IonicContact NZ-OE2 3.69Å; K176-E229 PolarHBondContact NZ-OE2 3.35Å; K176-V260 CarbonylContact O-C 3.58Å; K176-V260 WeakPolarHBondContact O-CA 3.41Å; K176-L261 HydrophobicContact CB-CB 4.15Å; K176-L261 PolarHBondContact N-O 2.93Å; K176-L261 PolarHBondContact O-N 3.06Å; K176-M263 HydrophobicContact CB-CE 4.35Å; K176-M263 HydrophobicContact CD-CE 4.4Å; K176-D331 IonicContact NZ-OD2 2.71Å; K176-D331 PolarHBondContact NZ-OD2 3.5Å
177	V	95.4	Very high	89.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125	-176.4	-173.9	0	0	0	0	109.5	I130 V133 I134 A160 Q161 V175 V260	I130-V177 HydrophobicContact CD1-CB 4.04Å; I130-V177 HydrophobicContact CD1-CG1 3.85Å; I130-V177 HydrophobicContact CG2-CB 4.34Å; I130-V177 HydrophobicContact CG2-CG1 4.22Å; I130-V177 HydrophobicContact CG2-CG2 4.14Å; V133-V177 HydrophobicContact CB-CG1 3.71Å; V133-V177 HydrophobicContact CG1-CG1 3.56Å; V133-V177 HydrophobicContact CG2-CG1 4.29Å; I134-V177 HydrophobicContact CD1-CG2 4.15Å; I134-V177 HydrophobicContact CG1-CG2 4.16Å; A160-V177 CarbonylContact C-O 3.5Å; A160-V177 WeakPolarHBondContact CA-O 3.32Å; A160-V177 WeakPolarHBondContact CB-O 3.22Å; Q161-V177 PolarHBondContact N-O 2.72Å; Q161-V177 PolarHBondContact O-N 3Å; V175-V177 HydrophobicContact CG1-CG2 3.78Å; V177-V260 HydrophobicContact CG1-CG2 4.49Å
178	Q	93.3	Very high	89.4	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	138	178.5	-172	176.3	87.1	0	0	111.2	L159 P180 L224 F226 R259	L159-Q178 WeakPolarHBondContact O-CA 3.43Å; L159-Q178 WeakPolarHBondContact O-CG 3.44Å; Q178-P180 WeakPolarHBondContact O-CD 3Å; Q178-L224 HydrophobicContact CG-CD2 4.41Å; Q178-L224 PolarHBondContact NE2-O 2.77Å; Q178-F226 HydrophobicContact CB-CE2 3.93Å; Q178-F226 HydrophobicContact CB-CZ 4.15Å; Q178-R259 HydrophobicContact CB-CB 4.05Å; Q178-R259 WeakPolarHBondContact CB-O 3.19Å; Q178-R259 PolarHBondContact N-O 2.82Å
179	H	88.6	Confident	89.2	Confident	12 Å²	12	44.7 Å²	44.7	6%	0.056	24%	0.242	C	C	.	.			trans	-62.4	123.6	172	-66.9	-57.9	0	0	0	109.7	P123 S125 A157 L159 A160 Q161 K181 V182	P123-H179 PolarHBondContact O-CE1 3.35Å; P123-H179 PolarHBondContact O-NE2 3.18Å; S125-H179 PolarHBondContact OG-ND1 3.34Å; A157-H179 PolarHBondContact O-NE2 2.83Å; L159-H179 PolarHBondContact O-CD2 3.26Å; L159-H179 PolarHBondContact O-N 3.37Å; A160-H179 PolarHBondContact N-CD2 3.08Å; A160-H179 VanDerWaalsContact N-CD2 3.29Å; Q161-H179 PolarHBondContact OE1-CE1 3.23Å; H179-K181 PolarHBondContact O-N 3.22Å; H179-V182 HydrophobicContact CB-CB 4.47Å; H179-V182 HydrophobicContact CB-CG2 3.61Å; H179-V182 PolarHBondContact O-N 3.49Å; H179-V182 VanDerWaalsContact O-N 3.12Å
180	P	82.4	Confident	88.9	Confident	33 Å²	33	41 Å²	41	21%	0.214	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.4	-168.7	-7.8	2.4	0	0	0	114.4	E129 V133 Q178	E129-P180 HydrophobicContact CB-CG 3.71Å; E129-P180 HydrophobicContact CG-CG 4.11Å; V133-P180 HydrophobicContact CG2-CB 3.97Å; V133-P180 HydrophobicContact CG2-CG 3.68Å; Q178-P180 WeakPolarHBondContact O-CD 3Å
181	K	77.1	Confident	88.7	Confident	56 Å²	56	43.7 Å²	43.7	24%	0.243	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-16.4	-172.8	-62.1	173.5	-177.4	165.2	0	113.8	D33 E129 H179 Q185	D33-K181 WeakPolarHBondContact OD2-CD 3.46Å; D33-K181 VanDerWaalsContact OD2-CE 3.3Å; D33-K181 WeakPolarHBondContact OD2-CE 3.4Å; D33-K181 IonicContact OD2-NZ 2.76Å; D33-K181 PolarHBondContact OD2-NZ 3.17Å; E129-K181 WeakPolarHBondContact OE1-CE 3.21Å; E129-K181 IonicContact OE1-NZ 3.52Å; E129-K181 PolarHBondContact OE1-NZ 3.47Å; H179-K181 PolarHBondContact O-N 3.22Å; K181-Q185 WeakPolarHBondContact O-CB 3.32Å; K181-Q185 WeakPolarHBondContact O-CG 3.47Å; K181-Q185 PolarHBondContact O-N 2.84Å
182	V	78.7	Confident	88.5	Confident	10 Å²	10	38.1 Å²	38.1	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-45.4	-171.2	174.8	0	0	0	0	111.5	L159 H179 A184 Q185 S186 L224	L159-V182 HydrophobicContact CD2-CG1 3.63Å; H179-V182 HydrophobicContact CB-CB 4.47Å; H179-V182 HydrophobicContact CB-CG2 3.61Å; H179-V182 PolarHBondContact O-N 3.49Å; H179-V182 VanDerWaalsContact O-N 3.12Å; V182-A184 VanDerWaalsContact C-N 3.34Å; V182-A184 PolarHBondContact O-N 3.11Å; V182-Q185 PolarHBondContact O-N 3.4Å; V182-S186 WeakPolarHBondContact O-CB 3.37Å; V182-S186 PolarHBondContact O-N 2.99Å; V182-L224 HydrophobicContact CB-CD2 4.49Å; V182-L224 HydrophobicContact CG1-CD2 3.64Å
183	R	76.8	Confident	88.2	Confident	116 Å²	116	36.4 Å²	36.4	44%	0.438	19%	0.194	S	C	.	.	H	α-helix	trans	-62.1	-39.4	-178	-172.8	174.7	-178.3	160.3	2.1	112.9	S186 E258	R183-S186 PolarHBondContact O-OG 2.87Å; R183-E258 IonicContact CZ-OE2 3.45Å; R183-E258 IonicContact NH1-OE2 3.79Å; R183-E258 PolarHBondContact NH1-OE2 3.3Å; R183-E258 IonicContact NH2-OE2 3.03Å; R183-E258 PolarHBondContact NH2-OE2 3.15Å
184	A	76.1	Confident	87.9	Confident	71 Å²	71	38.5 Å²	38.5	59%	0.587	20%	0.203	S	C	*	.	H	α-helix	trans	-76.2	-23.7	-177.7	0	0	0	0	0	113.9	V182	V182-A184 VanDerWaalsContact C-N 3.34Å; V182-A184 PolarHBondContact O-N 3.11Å
185	Q	79.8	Confident	87.7	Confident	35 Å²	35	42 Å²	42	16%	0.164	22%	0.224	C	C	.	.	H	α-helix	trans	-98.2	-25.2	-176.7	-66.3	178	4.9	0	0	112.8	K181 V182 S187 K188 D189	K181-Q185 WeakPolarHBondContact O-CB 3.32Å; K181-Q185 WeakPolarHBondContact O-CG 3.47Å; K181-Q185 PolarHBondContact O-N 2.84Å; V182-Q185 PolarHBondContact O-N 3.4Å; Q185-S187 PolarHBondContact O-N 3.08Å; Q185-K188 PolarHBondContact O-N 3.44Å; Q185-D189 PolarHBondContact O-N 2.92Å
186	S	84.4	Confident	87.5	Confident	8 Å²	8	43 Å²	43	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-53.4	-48.7	-170.4	61.8	0	0	0	0	114.8	T92 V182 R183 K188 D189 I190	T92-S186 WeakPolarHBondContact OG1-CA 3.28Å; V182-S186 WeakPolarHBondContact O-CB 3.37Å; V182-S186 PolarHBondContact O-N 2.99Å; R183-S186 PolarHBondContact O-OG 2.87Å; S186-K188 VanDerWaalsContact C-N 3.32Å; S186-K188 PolarHBondContact O-N 2.98Å; S186-D189 PolarHBondContact O-N 3.11Å; S186-I190 WeakPolarHBondContact O-CG1 3.28Å; S186-I190 PolarHBondContact O-N 2.87Å
187	S	85.7	Confident	87.2	Confident	88 Å²	88	43.6 Å²	43.6	62%	0.615	23%	0.233	S	C	*	.	H	α-helix	trans	-65.5	-35.3	-179.4	-49.4	0	0	0	0	112.7	Q185 L191	Q185-S187 PolarHBondContact O-N 3.08Å; S187-L191 WeakPolarHBondContact O-CB 3.45Å; S187-L191 PolarHBondContact O-N 2.85Å; S187-L191 VanDerWaalsContact O-N 3.12Å
188	K	88.7	Confident	87	Confident	152 Å²	152	47.4 Å²	47.4	66%	0.661	25%	0.252	S	S	*	.	H	α-helix	trans	-72	-41.4	178.1	-65.4	170.4	-174.6	162.4	0	110.9	Q185 S186 L191 L192	Q185-K188 PolarHBondContact O-N 3.44Å; S186-K188 VanDerWaalsContact C-N 3.32Å; S186-K188 PolarHBondContact O-N 2.98Å; K188-L191 PolarHBondContact O-N 2.91Å; K188-L192 WeakPolarHBondContact O-CB 3.48Å; K188-L192 PolarHBondContact O-N 3.28Å
189	D	90.1	Very high	86.8	Confident	7 Å²	7	50 Å²	50	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-41.8	177.4	-71.9	-15.1	0	0	0	111.4	R38 T92 F93 Q185 S186 L192 M193	R38-D189 IonicContact CZ-OD1 3.69Å; R38-D189 IonicContact CZ-OD2 2.72Å; R38-D189 IonicContact NE-OD1 2.73Å; R38-D189 PolarHBondContact NE-OD1 3.35Å; R38-D189 IonicContact NE-OD2 3.77Å; R38-D189 IonicContact NH2-OD1 2.75Å; R38-D189 PolarHBondContact NH2-OD1 3.22Å; R38-D189 IonicContact NH2-OD2 3.24Å; R38-D189 PolarHBondContact NH2-OD2 3.04Å; T92-D189 HydrophobicContact CG2-CB 3.91Å; F93-D189 HydrophobicContact CD2-CB 4.27Å; F93-D189 HydrophobicContact CE2-CB 3.87Å; Q185-D189 PolarHBondContact O-N 2.92Å; S186-D189 PolarHBondContact O-N 3.11Å; D189-L192 PolarHBondContact O-N 2.9Å; D189-M193 VanDerWaalsContact O-CG 3.32Å; D189-M193 WeakPolarHBondContact O-CG 3.39Å; D189-M193 PolarHBondContact O-N 3.31Å
190	I	90.3	Very high	86.9	Confident	12 Å²	12	50.2 Å²	50.2	6%	0.062	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-47.2	174	-72.3	162.6	0	0	0	110.8	T92 S186 L192 M193 E194 V213 K217 L220	T92-I190 HydrophobicContact CG2-CG1 4Å; S186-I190 WeakPolarHBondContact O-CG1 3.28Å; S186-I190 PolarHBondContact O-N 2.87Å; I190-L192 VanDerWaalsContact C-N 3.3Å; I190-L192 PolarHBondContact O-N 3.43Å; I190-M193 PolarHBondContact O-N 2.95Å; I190-E194 WeakPolarHBondContact O-CB 3.39Å; I190-E194 PolarHBondContact O-N 3.48Å; I190-V213 HydrophobicContact CG2-CG1 4.12Å; I190-K217 HydrophobicContact CG2-CB 3.98Å; I190-K217 HydrophobicContact CG2-CD 4.31Å; I190-K217 HydrophobicContact CG2-CG 4.1Å; I190-L220 HydrophobicContact CD1-CB 4.27Å; I190-L220 HydrophobicContact CD1-CD2 3.74Å; I190-L220 HydrophobicContact CG1-CD2 4.37Å
191	L	91.3	Very high	87.1	Confident	102 Å²	102	51.9 Å²	51.9	53%	0.534	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-41.3	178.4	178.4	63.8	0	0	0	111.7	S187 K188 E194 V195	S187-L191 WeakPolarHBondContact O-CB 3.45Å; S187-L191 PolarHBondContact O-N 2.85Å; S187-L191 VanDerWaalsContact O-N 3.12Å; K188-L191 PolarHBondContact O-N 2.91Å; L191-E194 WeakPolarHBondContact O-CB 3.42Å; L191-E194 PolarHBondContact O-N 3.4Å; L191-V195 WeakPolarHBondContact O-CG2 3.05Å; L191-V195 PolarHBondContact O-N 3.04Å
192	L	92.2	Very high	87.6	Confident	21 Å²	21	56.8 Å²	56.8	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-46	175.6	174.2	62.1	0	0	0	111.4	V39 A42 F93 K188 D189 I190 E194 V195 L196	V39-L192 HydrophobicContact CB-CD2 4.38Å; V39-L192 HydrophobicContact CG1-CD1 4.11Å; V39-L192 HydrophobicContact CG2-CD1 4.34Å; V39-L192 HydrophobicContact CG2-CD2 3.95Å; A42-L192 HydrophobicContact CB-CD2 3.79Å; A42-L192 HydrophobicContact CB-CG 4.34Å; F93-L192 HydrophobicContact CZ-CD2 4.08Å; K188-L192 WeakPolarHBondContact O-CB 3.48Å; K188-L192 PolarHBondContact O-N 3.28Å; D189-L192 PolarHBondContact O-N 2.9Å; I190-L192 VanDerWaalsContact C-N 3.3Å; I190-L192 PolarHBondContact O-N 3.43Å; L192-E194 VanDerWaalsContact C-N 3.33Å; L192-E194 PolarHBondContact O-N 3.34Å; L192-V195 PolarHBondContact O-N 3.47Å; L192-L196 HydrophobicContact CD1-CD1 3.92Å; L192-L196 HydrophobicContact CD1-CG 4.09Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.4Å; L192-L196 VanDerWaalsContact O-CG 3.25Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 3.22Å
193	M	91.6	Very high	88	Confident	18 Å²	18	60.8 Å²	60.8	9%	0.089	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-41.8	175.7	-69.3	176.3	-173.6	0	0	112	T92 F93 V96 D189 I190 L196 I197 V213	T92-M193 HydrophobicContact CG2-CE 3.98Å; T92-M193 HydrophobicContact CG2-SD 4.45Å; F93-M193 HydrophobicContact CB-CE 4.06Å; F93-M193 HydrophobicContact CD1-CE 3.51Å; F93-M193 HydrophobicContact CD2-CE 3.65Å; F93-M193 HydrophobicContact CE1-CE 3.74Å; F93-M193 HydrophobicContact CE1-CG 4.45Å; F93-M193 HydrophobicContact CE2-CE 3.89Å; F93-M193 HydrophobicContact CG-CE 3.45Å; F93-M193 VanDerWaalsContact CG-CE 3.45Å; F93-M193 HydrophobicContact CZ-CE 3.92Å; F93-M193 HydrophobicContact CZ-CG 4.43Å; V96-M193 HydrophobicContact CB-CE 4.21Å; V96-M193 HydrophobicContact CB-SD 4.23Å; V96-M193 HydrophobicContact CG1-SD 4.28Å; V96-M193 HydrophobicContact CG2-CE 4.1Å; V96-M193 HydrophobicContact CG2-SD 3.79Å; D189-M193 VanDerWaalsContact O-CG 3.32Å; D189-M193 WeakPolarHBondContact O-CG 3.39Å; D189-M193 PolarHBondContact O-N 3.31Å; I190-M193 PolarHBondContact O-N 2.95Å; M193-L196 PolarHBondContact O-N 2.88Å; M193-I197 WeakPolarHBondContact O-CB 3.42Å; M193-I197 WeakPolarHBondContact O-CG1 3.37Å; M193-I197 PolarHBondContact O-N 3.42Å; M193-V213 HydrophobicContact CB-CG2 4.38Å
194	E	92.3	Very high	88.4	Confident	44 Å²	44	57.7 Å²	57.7	21%	0.206	31%	0.314	C	S	.	.	H	α-helix	trans	-56	-51.7	175.9	-164.9	170.8	174.1	0	0	110.7	I190 L191 L192 L196 I197 L198 M210 V213 K217	I190-E194 WeakPolarHBondContact O-CB 3.39Å; I190-E194 PolarHBondContact O-N 3.48Å; L191-E194 WeakPolarHBondContact O-CB 3.42Å; L191-E194 PolarHBondContact O-N 3.4Å; L192-E194 VanDerWaalsContact C-N 3.33Å; L192-E194 PolarHBondContact O-N 3.34Å; E194-L196 PolarHBondContact O-N 3.42Å; E194-I197 PolarHBondContact O-N 2.88Å; E194-L198 VanDerWaalsContact O-CG 3.29Å; E194-L198 WeakPolarHBondContact O-CG 3.43Å; E194-L198 PolarHBondContact O-N 3.28Å; E194-M210 HydrophobicContact CG-CE 3.8Å; E194-V213 HydrophobicContact CB-CG1 3.87Å; E194-V213 HydrophobicContact CG-CG1 4.24Å; E194-K217 IonicContact OE1-NZ 2.96Å; E194-K217 PolarHBondContact OE1-NZ 2.98Å; E194-K217 IonicContact OE2-NZ 2.68Å; E194-K217 PolarHBondContact OE2-NZ 3.36Å
195	V	93.6	Very high	88.7	Confident	83 Å²	83	58.8 Å²	58.8	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-44.1	178.6	172.4	0	0	0	0	111.9	L191 L192 L198 A199	L191-V195 WeakPolarHBondContact O-CG2 3.05Å; L191-V195 PolarHBondContact O-N 3.04Å; L192-V195 PolarHBondContact O-N 3.47Å; V195-L198 PolarHBondContact O-N 3.33Å; V195-A199 PolarHBondContact O-N 2.9Å
196	L	92.7	Very high	88.5	Confident	20 Å²	20	63.7 Å²	63.7	11%	0.105	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-41.7	-179.5	-71.1	173.4	0	0	0	111.8	A42 V43 T46 L192 M193 E194 A199 V200	A42-L196 HydrophobicContact CB-CD1 3.7Å; V43-L196 HydrophobicContact CG2-CD2 3.95Å; T46-L196 HydrophobicContact CG2-CD2 4.31Å; L192-L196 HydrophobicContact CD1-CD1 3.92Å; L192-L196 HydrophobicContact CD1-CG 4.09Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.4Å; L192-L196 VanDerWaalsContact O-CG 3.25Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 3.22Å; M193-L196 PolarHBondContact O-N 2.88Å; E194-L196 PolarHBondContact O-N 3.42Å; L196-A199 PolarHBondContact O-N 3.49Å; L196-V200 VanDerWaalsContact O-CG2 3.31Å; L196-V200 WeakPolarHBondContact O-CG2 3.31Å; L196-V200 PolarHBondContact O-N 3.08Å
197	I	89.9	Confident	88.1	Confident	28 Å²	28	66.5 Å²	66.5	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-67.9	-39.1	178.4	-72.8	167.1	0	0	0	110.7	M193 E194 A199 V200 K201 F207 M210 V213	M193-I197 WeakPolarHBondContact O-CB 3.42Å; M193-I197 WeakPolarHBondContact O-CG1 3.37Å; M193-I197 PolarHBondContact O-N 3.42Å; E194-I197 PolarHBondContact O-N 2.88Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 3.44Å; I197-V200 PolarHBondContact O-N 3.44Å; I197-K201 WeakPolarHBondContact O-CB 3.4Å; I197-K201 PolarHBondContact O-N 2.9Å; I197-F207 HydrophobicContact CG1-CE1 4.44Å; I197-F207 HydrophobicContact CG2-CE1 4.2Å; I197-M210 HydrophobicContact CB-SD 4.01Å; I197-M210 HydrophobicContact CG2-CG 3.97Å; I197-M210 HydrophobicContact CG2-SD 3.45Å; I197-M210 WeakPolarHBondContact CG2-SD 3.47Å; I197-V213 HydrophobicContact CD1-CG2 3.24Å; I197-V213 HydrophobicContact CG1-CG2 4.44Å
198	L	90.6	Very high	87.7	Confident	79 Å²	79	64.2 Å²	64.2	41%	0.414	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-41.1	172.7	-71.6	172.7	0	0	0	112	E194 V195 K201 Q202 M210	E194-L198 VanDerWaalsContact O-CG 3.29Å; E194-L198 WeakPolarHBondContact O-CG 3.43Å; E194-L198 PolarHBondContact O-N 3.28Å; V195-L198 PolarHBondContact O-N 3.33Å; L198-K201 PolarHBondContact O-N 2.73Å; L198-Q202 WeakPolarHBondContact O-CG 3.25Å; L198-Q202 PolarHBondContact O-N 2.8Å; L198-M210 HydrophobicContact CD2-CE 4.31Å; L198-M210 HydrophobicContact CD2-CG 4.47Å; L198-M210 HydrophobicContact CD2-SD 3.92Å; L198-M210 HydrophobicContact CG-CE 4.38Å; L198-M210 HydrophobicContact CG-SD 3.99Å
199	A	90.8	Very high	87.4	Confident	54 Å²	54	58.3 Å²	58.3	45%	0.446	30%	0.303	S	S	.	.	H	α-helix	trans	-65.5	-42.8	175.8	0	0	0	0	0	112.3	V195 L196 I197 K201 Q202 L203	V195-A199 PolarHBondContact O-N 2.9Å; L196-A199 PolarHBondContact O-N 3.49Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 3.44Å; A199-K201 VanDerWaalsContact C-N 3.32Å; A199-K201 PolarHBondContact O-N 2.95Å; A199-Q202 WeakPolarHBondContact O-CB 3.49Å; A199-Q202 PolarHBondContact O-N 2.89Å; A199-L203 PolarHBondContact O-N 3.18Å
200	V	89.1	Confident	87.2	Confident	18 Å²	18	59.4 Å²	59.4	11%	0.109	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-40.4	174.8	172.1	0	0	0	0	110.8	T46 L196 I197 Q202 L203 F204 F207	T46-V200 HydrophobicContact CG2-CG2 3.45Å; T46-V200 VanDerWaalsContact CG2-CG2 3.45Å; L196-V200 VanDerWaalsContact O-CG2 3.31Å; L196-V200 WeakPolarHBondContact O-CG2 3.31Å; L196-V200 PolarHBondContact O-N 3.08Å; I197-V200 PolarHBondContact O-N 3.44Å; V200-Q202 VanDerWaalsContact C-N 3.25Å; V200-Q202 PolarHBondContact O-N 3.41Å; V200-L203 CarbonylContact O-C 3.6Å; V200-L203 PolarHBondContact O-N 3.02Å; V200-F204 HydrophobicContact CG1-CD2 3.87Å; V200-F204 PolarHBondContact O-N 2.93Å; V200-F207 HydrophobicContact CB-CD1 4.28Å; V200-F207 HydrophobicContact CB-CE1 4.43Å; V200-F207 HydrophobicContact CG1-CB 4.41Å; V200-F207 HydrophobicContact CG1-CD1 3.54Å; V200-F207 HydrophobicContact CG1-CD2 4.47Å; V200-F207 HydrophobicContact CG1-CE1 3.83Å; V200-F207 HydrophobicContact CG1-CG 3.89Å; V200-F207 HydrophobicContact CG1-CZ 4.42Å
201	K	87.7	Confident	86.9	Confident	68 Å²	68	60 Å²	60	30%	0.296	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-33.1	177	-173.2	173	-175.5	166.6	0	112.8	I197 L198 A199 L203 F204 P205 E208	I197-K201 WeakPolarHBondContact O-CB 3.4Å; I197-K201 PolarHBondContact O-N 2.9Å; L198-K201 PolarHBondContact O-N 2.73Å; A199-K201 VanDerWaalsContact C-N 3.32Å; A199-K201 PolarHBondContact O-N 2.95Å; K201-L203 VanDerWaalsContact C-N 3.29Å; K201-L203 PolarHBondContact O-N 2.99Å; K201-F204 CarbonylContact O-C 3.58Å; K201-F204 VanDerWaalsContact O-C 3.26Å; K201-P205 WeakPolarHBondContact O-CA 3.41Å; K201-E208 IonicContact NZ-OE1 2.77Å; K201-E208 PolarHBondContact NZ-OE1 3.06Å
202	Q	88.4	Confident	86.5	Confident	159 Å²	159	55.6 Å²	55.6	74%	0.743	29%	0.287	S	S	*	.	H	α-helix	trans	-65.7	-32.7	174.1	-62.8	-61.3	-35.6	0	0	112.4	L198 A199 V200	L198-Q202 WeakPolarHBondContact O-CG 3.25Å; L198-Q202 PolarHBondContact O-N 2.8Å; A199-Q202 WeakPolarHBondContact O-CB 3.49Å; A199-Q202 PolarHBondContact O-N 2.89Å; V200-Q202 VanDerWaalsContact C-N 3.25Å; V200-Q202 PolarHBondContact O-N 3.41Å
203	L	86.9	Confident	86.2	Confident	93 Å²	93	54.8 Å²	54.8	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-84.7	-33.7	178	-62.3	176.2	0	0	0	112.5	A199 V200 K201	A199-L203 PolarHBondContact O-N 3.18Å; V200-L203 CarbonylContact O-C 3.6Å; V200-L203 PolarHBondContact O-N 3.02Å; K201-L203 VanDerWaalsContact C-N 3.29Å; K201-L203 PolarHBondContact O-N 2.99Å
204	F	85.2	Confident	86	Confident	51 Å²	51	57.2 Å²	57.2	22%	0.224	30%	0.296	C	S	.	.			trans	-130	87	-177.9	-54.8	-82.4	0	0	0	109	L54 V200 K201 E206 F207	L54-F204 HydrophobicContact CD2-CE1 3.92Å; L54-F204 HydrophobicContact CD2-CZ 4.01Å; L54-F204 HydrophobicContact CG-CE1 4.17Å; L54-F204 HydrophobicContact CG-CZ 3.78Å; V200-F204 HydrophobicContact CG1-CD2 3.87Å; V200-F204 PolarHBondContact O-N 2.93Å; K201-F204 CarbonylContact O-C 3.58Å; K201-F204 VanDerWaalsContact O-C 3.26Å; F204-E206 PolarHBondContact O-N 3.28Å; F204-E206 VanDerWaalsContact O-N 3.13Å; F204-F207 HydrophobicContact CB-CB 3.95Å; F204-F207 WeakPolarHBondContact O-CB 3.37Å; F204-F207 PolarHBondContact O-N 3.39Å
205	P	82.3	Confident	85.6	Confident	94 Å²	94	55.5 Å²	55.5	61%	0.61	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.4	-176.3	-28.7	36.7	0	0	0	114.4	K201 F207	K201-P205 WeakPolarHBondContact O-CA 3.41Å; P205-F207 PolarHBondContact O-N 3.14Å
206	E	75.2	Confident	85.3	Confident	139 Å²	139	51.9 Å²	51.9	65%	0.65	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-10.7	176.4	-57.3	-72.6	178.3	0	0	113.4	F204 E208	F204-E206 PolarHBondContact O-N 3.28Å; F204-E206 VanDerWaalsContact O-N 3.13Å; E206-E208 PolarHBondContact O-N 3.07Å; E206-E208 VanDerWaalsContact O-N 3.15Å
207	F	76.7	Confident	85.1	Confident	67 Å²	67	55.5 Å²	55.5	29%	0.294	28%	0.282	S	S	.	.			trans	-82.8	89.3	-177.4	-170.2	-98.7	0	0	0	111	I197 V200 F204 P205 F209	I197-F207 HydrophobicContact CG1-CE1 4.44Å; I197-F207 HydrophobicContact CG2-CE1 4.2Å; V200-F207 HydrophobicContact CB-CD1 4.28Å; V200-F207 HydrophobicContact CB-CE1 4.43Å; V200-F207 HydrophobicContact CG1-CB 4.41Å; V200-F207 HydrophobicContact CG1-CD1 3.54Å; V200-F207 HydrophobicContact CG1-CD2 4.47Å; V200-F207 HydrophobicContact CG1-CE1 3.83Å; V200-F207 HydrophobicContact CG1-CG 3.89Å; V200-F207 HydrophobicContact CG1-CZ 4.42Å; F204-F207 HydrophobicContact CB-CB 3.95Å; F204-F207 WeakPolarHBondContact O-CB 3.37Å; F204-F207 PolarHBondContact O-N 3.39Å; P205-F207 PolarHBondContact O-N 3.14Å; F207-F209 HydrophobicContact CD1-CB 4.34Å; F207-F209 AromaticContact CD1-CD2 3.92Å; F207-F209 HydrophobicContact CD1-CD2 3.92Å; F207-F209 AromaticContact CD2-CD2 3.43Å; F207-F209 HydrophobicContact CD2-CD2 3.43Å; F207-F209 VanDerWaalsContact CD2-CD2 3.43Å; F207-F209 AromaticContact CD2-CE2 3.6Å; F207-F209 HydrophobicContact CD2-CE2 3.6Å; F207-F209 HydrophobicContact CE1-CB 3.75Å; F207-F209 AromaticContact CE1-CD2 3.69Å; F207-F209 HydrophobicContact CE1-CD2 3.69Å; F207-F209 HydrophobicContact CE1-CG 4.02Å; F207-F209 AromaticContact CE2-CD2 3.17Å; F207-F209 HydrophobicContact CE2-CD2 3.17Å; F207-F209 AromaticContact CE2-CE2 3.35Å; F207-F209 HydrophobicContact CE2-CE2 3.35Å; F207-F209 HydrophobicContact CE2-CG 4.01Å; F207-F209 HydrophobicContact CE2-CZ 4.31Å; F207-F209 AromaticContact CG-CD2 3.8Å; F207-F209 HydrophobicContact CG-CD2 3.8Å; F207-F209 HydrophobicContact CG-CE2 4.36Å; F207-F209 HydrophobicContact CZ-CB 3.91Å; F207-F209 AromaticContact CZ-CD2 3.3Å; F207-F209 HydrophobicContact CZ-CD2 3.3Å; F207-F209 AromaticContact CZ-CE2 3.95Å; F207-F209 HydrophobicContact CZ-CE2 3.95Å; F207-F209 AromaticContact CZ-CG 3.71Å; F207-F209 HydrophobicContact CZ-CG 3.71Å
208	E	76.6	Confident	85	Confident	40 Å²	40	59.7 Å²	59.7	19%	0.187	30%	0.299	C	S	.	.			trans	-103.6	69.8	-178	-54.1	-147.6	123.5	0	0	112.9	K201 E206 W211 S418 N422	K201-E208 IonicContact NZ-OE1 2.77Å; K201-E208 PolarHBondContact NZ-OE1 3.06Å; E206-E208 PolarHBondContact O-N 3.07Å; E206-E208 VanDerWaalsContact O-N 3.15Å; E208-W211 PolarHBondContact O-NE1 3.18Å; E208-S418 WeakPolarHBondContact CA-OG 3.29Å; E208-S418 WeakPolarHBondContact CB-OG 3.46Å; E208-S418 PolarHBondContact N-OG 3.06Å; E208-S418 PolarHBondContact O-OG 3.47Å; E208-S418 VanDerWaalsContact O-OG 3.06Å; E208-N422 HydrophobicContact CB-CB 4.31Å; E208-N422 VanDerWaalsContact CD-ND2 3.29Å; E208-N422 PolarHBondContact OE1-ND2 3.15Å; E208-N422 PolarHBondContact OE2-ND2 3.04Å
209	F	82.3	Confident	84.9	Confident	27 Å²	27	56.1 Å²	56.1	12%	0.118	28%	0.28	C	S	.	.			trans	-106.3	8.5	-180	-76.5	-93.9	0	0	0	114.9	L107 F207 W211 L212	L107-F209 HydrophobicContact CD2-CE1 3.62Å; L107-F209 HydrophobicContact CD2-CZ 3.8Å; F207-F209 HydrophobicContact CD1-CB 4.34Å; F207-F209 AromaticContact CD1-CD2 3.92Å; F207-F209 HydrophobicContact CD1-CD2 3.92Å; F207-F209 AromaticContact CD2-CD2 3.43Å; F207-F209 HydrophobicContact CD2-CD2 3.43Å; F207-F209 VanDerWaalsContact CD2-CD2 3.43Å; F207-F209 AromaticContact CD2-CE2 3.6Å; F207-F209 HydrophobicContact CD2-CE2 3.6Å; F207-F209 HydrophobicContact CE1-CB 3.75Å; F207-F209 AromaticContact CE1-CD2 3.69Å; F207-F209 HydrophobicContact CE1-CD2 3.69Å; F207-F209 HydrophobicContact CE1-CG 4.02Å; F207-F209 AromaticContact CE2-CD2 3.17Å; F207-F209 HydrophobicContact CE2-CD2 3.17Å; F207-F209 AromaticContact CE2-CE2 3.35Å; F207-F209 HydrophobicContact CE2-CE2 3.35Å; F207-F209 HydrophobicContact CE2-CG 4.01Å; F207-F209 HydrophobicContact CE2-CZ 4.31Å; F207-F209 AromaticContact CG-CD2 3.8Å; F207-F209 HydrophobicContact CG-CD2 3.8Å; F207-F209 HydrophobicContact CG-CE2 4.36Å; F207-F209 HydrophobicContact CZ-CB 3.91Å; F207-F209 AromaticContact CZ-CD2 3.3Å; F207-F209 HydrophobicContact CZ-CD2 3.3Å; F207-F209 AromaticContact CZ-CE2 3.95Å; F207-F209 HydrophobicContact CZ-CE2 3.95Å; F207-F209 AromaticContact CZ-CG 3.71Å; F207-F209 HydrophobicContact CZ-CG 3.71Å; F209-W211 HydrophobicContact CD1-CZ2 4.39Å; F209-W211 PolarHBondContact O-N 3.25Å; F209-L212 WeakPolarHBondContact O-CB 3.47Å; F209-L212 PolarHBondContact O-N 3.12Å
210	M	84.6	Confident	84.8	Confident	30 Å²	30	53.7 Å²	53.7	15%	0.148	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-33	178.9	-77.1	-59.8	-58.4	0	0	112.9	E194 I197 L198 L212 V213 D214	E194-M210 HydrophobicContact CG-CE 3.8Å; I197-M210 HydrophobicContact CB-SD 4.01Å; I197-M210 HydrophobicContact CG2-CG 3.97Å; I197-M210 HydrophobicContact CG2-SD 3.45Å; I197-M210 WeakPolarHBondContact CG2-SD 3.47Å; L198-M210 HydrophobicContact CD2-CE 4.31Å; L198-M210 HydrophobicContact CD2-CG 4.47Å; L198-M210 HydrophobicContact CD2-SD 3.92Å; L198-M210 HydrophobicContact CG-CE 4.38Å; L198-M210 HydrophobicContact CG-SD 3.99Å; M210-L212 PolarHBondContact O-N 3.22Å; M210-L212 VanDerWaalsContact O-N 3.11Å; M210-V213 WeakPolarHBondContact O-CB 3.34Å; M210-V213 PolarHBondContact O-N 3Å; M210-D214 PolarHBondContact O-N 3.04Å
211	W	83.9	Confident	84.9	Confident	24 Å²	24	56.4 Å²	56.4	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-54.6	-31.7	176.2	65.5	-99.1	0	0	0	112.7	L103 E208 F209 D214 E215 L421 L429	L103-W211 HydrophobicContact CD1-CH2 3.77Å; E208-W211 PolarHBondContact O-NE1 3.18Å; F209-W211 HydrophobicContact CD1-CZ2 4.39Å; F209-W211 PolarHBondContact O-N 3.25Å; W211-D214 PolarHBondContact O-N 2.82Å; W211-E215 WeakPolarHBondContact O-CB 3.42Å; W211-E215 PolarHBondContact O-N 2.69Å; W211-L421 HydrophobicContact CZ2-CD1 3.89Å; W211-L429 HydrophobicContact CB-CD1 4.15Å; W211-L429 HydrophobicContact CD2-CD1 4.24Å; W211-L429 HydrophobicContact CE3-CD1 3.79Å; W211-L429 HydrophobicContact CE3-CD2 4.42Å; W211-L429 HydrophobicContact CG-CD1 4.42Å
212	L	83.6	Confident	85.1	Confident	10 Å²	10	57 Å²	57	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-39.1	179.3	-179.2	64.7	0	0	0	111.5	V96 H99 L100 F209 M210 E215 A216	V96-L212 HydrophobicContact CG1-CD2 3.82Å; V96-L212 HydrophobicContact CG1-CG 4.16Å; H99-L212 HydrophobicContact CB-CD1 3.96Å; L100-L212 HydrophobicContact CD1-CD2 4.2Å; L100-L212 HydrophobicContact CD2-CD2 3.48Å; L100-L212 VanDerWaalsContact CD2-CD2 3.48Å; L100-L212 HydrophobicContact CG-CD2 3.74Å; F209-L212 WeakPolarHBondContact O-CB 3.47Å; F209-L212 PolarHBondContact O-N 3.12Å; M210-L212 PolarHBondContact O-N 3.22Å; M210-L212 VanDerWaalsContact O-N 3.11Å; L212-E215 PolarHBondContact O-N 2.84Å; L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 3.48Å
213	V	85.8	Confident	85.2	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.03	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-45	174.8	-177.4	0	0	0	0	109.8	I190 M193 E194 I197 M210 E215 A216 K217	I190-V213 HydrophobicContact CG2-CG1 4.12Å; M193-V213 HydrophobicContact CB-CG2 4.38Å; E194-V213 HydrophobicContact CB-CG1 3.87Å; E194-V213 HydrophobicContact CG-CG1 4.24Å; I197-V213 HydrophobicContact CD1-CG2 3.24Å; I197-V213 HydrophobicContact CG1-CG2 4.44Å; M210-V213 WeakPolarHBondContact O-CB 3.34Å; M210-V213 PolarHBondContact O-N 3Å; V213-E215 PolarHBondContact O-N 3.08Å; V213-A216 PolarHBondContact O-N 2.98Å; V213-K217 VanDerWaalsContact O-CB 3.25Å; V213-K217 WeakPolarHBondContact O-CB 3.31Å; V213-K217 PolarHBondContact O-N 2.86Å
214	D	87.2	Confident	85.4	Confident	68 Å²	68	46 Å²	46	36%	0.364	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-37.1	177	-72	-30.1	0	0	0	111.8	M210 W211 K218	M210-D214 PolarHBondContact O-N 3.04Å; W211-D214 PolarHBondContact O-N 2.82Å; D214-K218 WeakPolarHBondContact O-CG 3.43Å; D214-K218 PolarHBondContact O-N 3.45Å
215	E	85.7	Confident	85.8	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-49	175.1	-165.2	57.7	-144.6	0	0	111.6	W211 L212 V213 K217 K218 N219 R426 L430	W211-E215 WeakPolarHBondContact O-CB 3.42Å; W211-E215 PolarHBondContact O-N 2.69Å; L212-E215 PolarHBondContact O-N 2.84Å; V213-E215 PolarHBondContact O-N 3.08Å; E215-K217 VanDerWaalsContact C-N 3.33Å; E215-K217 PolarHBondContact O-N 2.78Å; E215-K218 PolarHBondContact O-N 3.25Å; E215-N219 WeakPolarHBondContact CG-ND2 3.27Å; E215-N219 WeakPolarHBondContact O-CB 3.38Å; E215-N219 PolarHBondContact O-N 2.84Å; E215-N219 PolarHBondContact O-ND2 2.77Å; E215-N219 PolarHBondContact OE1-ND2 3.27Å; E215-R426 VanDerWaalsContact CD-NE 3.29Å; E215-R426 IonicContact OE1-CZ 2.76Å; E215-R426 IonicContact OE1-NE 3.34Å; E215-R426 PolarHBondContact OE1-NE 3.48Å; E215-R426 VanDerWaalsContact OE1-NE 3.09Å; E215-R426 IonicContact OE1-NH2 2.61Å; E215-R426 PolarHBondContact OE1-NH2 2.85Å; E215-R426 WeakPolarHBondContact OE2-CD 3.42Å; E215-R426 WeakPolarHBondContact OE2-CG 3.13Å; E215-R426 IonicContact OE2-CZ 2.74Å; E215-R426 IonicContact OE2-NE 3.83Å; E215-R426 PolarHBondContact OE2-NE 2.7Å; E215-R426 IonicContact OE2-NH2 2.91Å; E215-L430 HydrophobicContact CG-CD2 4.23Å; E215-L430 VanDerWaalsContact OE1-CD1 3.32Å; E215-L430 WeakPolarHBondContact OE1-CD1 3.46Å; E215-L430 WeakPolarHBondContact OE1-CD2 3.33Å; E215-L430 WeakPolarHBondContact OE1-CG 3.45Å
216	A	86.4	Confident	86.5	Confident	8 Å²	8	41 Å²	41	7%	0.066	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-41.7	176.8	0	0	0	0	0	111.7	V96 L212 V213 K218 N219 L220	V96-A216 HydrophobicContact CG2-CB 3.93Å; L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 3.48Å; V213-A216 PolarHBondContact O-N 2.98Å; A216-K218 VanDerWaalsContact C-N 3.25Å; A216-K218 PolarHBondContact O-N 3.45Å; A216-N219 PolarHBondContact O-N 3.32Å; A216-L220 WeakPolarHBondContact O-CB 3.44Å; A216-L220 PolarHBondContact O-N 3.41Å
217	K	88.6	Confident	87.6	Confident	95 Å²	95	36 Å²	36	41%	0.413	18%	0.178	S	C	.	.	H	α-helix	trans	-60.3	-34.1	179	-167.7	169.5	-172.6	166.5	0	112.6	I190 E194 V213 E215 P221	I190-K217 HydrophobicContact CG2-CB 3.98Å; I190-K217 HydrophobicContact CG2-CD 4.31Å; I190-K217 HydrophobicContact CG2-CG 4.1Å; E194-K217 IonicContact OE1-NZ 2.96Å; E194-K217 PolarHBondContact OE1-NZ 2.98Å; E194-K217 IonicContact OE2-NZ 2.68Å; E194-K217 PolarHBondContact OE2-NZ 3.36Å; V213-K217 VanDerWaalsContact O-CB 3.25Å; V213-K217 WeakPolarHBondContact O-CB 3.31Å; V213-K217 PolarHBondContact O-N 2.86Å; E215-K217 VanDerWaalsContact C-N 3.33Å; E215-K217 PolarHBondContact O-N 2.78Å; K217-P221 WeakPolarHBondContact O-CD 3.48Å
218	K	88.3	Confident	88.6	Confident	117 Å²	117	34.4 Å²	34.4	51%	0.509	17%	0.173	S	C	.	.	H	α-helix	trans	-87.2	-39.2	179.2	-70.6	176.6	-175.2	170.5	0	113.3	D214 E215 A216	D214-K218 WeakPolarHBondContact O-CG 3.43Å; D214-K218 PolarHBondContact O-N 3.45Å; E215-K218 PolarHBondContact O-N 3.25Å; A216-K218 VanDerWaalsContact C-N 3.25Å; A216-K218 PolarHBondContact O-N 3.45Å
219	N	88.4	Confident	89.6	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-85.5	-38.6	-175.5	-71.1	-29.8	0	0	0	113.9	E215 A216 P221 L222 E223 L334 R426	E215-N219 WeakPolarHBondContact CG-ND2 3.27Å; E215-N219 WeakPolarHBondContact O-CB 3.38Å; E215-N219 PolarHBondContact O-N 2.84Å; E215-N219 PolarHBondContact O-ND2 2.77Å; E215-N219 PolarHBondContact OE1-ND2 3.27Å; A216-N219 PolarHBondContact O-N 3.32Å; N219-P221 VanDerWaalsContact C-CD 3.5Å; N219-P221 VanDerWaalsContact C-N 3.33Å; N219-L222 WeakPolarHBondContact O-CA 3.29Å; N219-L222 WeakPolarHBondContact O-CB 3.3Å; N219-L222 PolarHBondContact O-N 3.07Å; N219-E223 PolarHBondContact O-N 3.12Å; N219-L334 HydrophobicContact CB-CD1 3.81Å; N219-L334 VanDerWaalsContact ND2-CD1 3.32Å; N219-L334 WeakPolarHBondContact ND2-CD1 3.46Å; N219-L334 WeakPolarHBondContact OD1-CD1 3.38Å; N219-R426 PolarHBondContact ND2-NH2 3.42Å; N219-R426 PolarHBondContact OD1-NH2 3.31Å
220	L	88.4	Confident	90.3	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-40	-172.1	-171.8	63	0	0	0	112.7	T92 K95 L159 I190 A216 L222 E223 L224	T92-L220 HydrophobicContact CG2-CD2 3.77Å; T92-L220 VanDerWaalsContact OG1-CD2 3.3Å; T92-L220 WeakPolarHBondContact OG1-CD2 3.44Å; K95-L220 HydrophobicContact CG-CD1 4.37Å; L159-L220 HydrophobicContact CD1-CD1 3.87Å; L159-L220 HydrophobicContact CD2-CD1 3.73Å; L159-L220 HydrophobicContact CG-CD1 4.48Å; I190-L220 HydrophobicContact CD1-CB 4.27Å; I190-L220 HydrophobicContact CD1-CD2 3.74Å; I190-L220 HydrophobicContact CG1-CD2 4.37Å; A216-L220 WeakPolarHBondContact O-CB 3.44Å; A216-L220 PolarHBondContact O-N 3.41Å; L220-L222 VanDerWaalsContact C-N 3.29Å; L220-L222 PolarHBondContact O-N 3.04Å; L220-E223 PolarHBondContact O-N 3.39Å; L220-L224 HydrophobicContact CD1-CG 4.37Å; L220-L224 HydrophobicContact CG-CD1 4.07Å; L220-L224 HydrophobicContact CG-CG 4.39Å; L220-L224 WeakPolarHBondContact O-CB 3.21Å; L220-L224 WeakPolarHBondContact O-CG 3.46Å; L220-L224 PolarHBondContact O-N 3.19Å
221	P	90.2	Very high	91	Very high	75 Å²	75	36.3 Å²	36.3	49%	0.487	18%	0.176	S	C	.	.	H	α-helix	trans	-60.3	-36.9	172.6	-24.4	35.6	0	0	0	113.6	K217 N219 L224 D225	K217-P221 WeakPolarHBondContact O-CD 3.48Å; N219-P221 VanDerWaalsContact C-CD 3.5Å; N219-P221 VanDerWaalsContact C-N 3.33Å; P221-L224 PolarHBondContact O-N 3.31Å; P221-D225 PolarHBondContact O-N 3.38Å
222	L	91.9	Very high	91.7	Very high	81 Å²	81	36 Å²	36	42%	0.424	18%	0.176	S	C	.	.	H	α-helix	trans	-71.5	-33.9	178.7	-60.5	174.8	0	0	0	112.2	N219 L220 D225 N228	N219-L222 WeakPolarHBondContact O-CA 3.29Å; N219-L222 WeakPolarHBondContact O-CB 3.3Å; N219-L222 PolarHBondContact O-N 3.07Å; L220-L222 VanDerWaalsContact C-N 3.29Å; L220-L222 PolarHBondContact O-N 3.04Å; L222-D225 PolarHBondContact O-N 3.14Å; L222-N228 PolarHBondContact O-ND2 2.73Å; L222-N228 VanDerWaalsContact O-ND2 3.09Å
223	E	90.3	Very high	92.4	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-76.9	-22.7	175.6	-68.1	-170.5	-124.5	0	0	113	K95 L159 N219 L220 D225 F226	K95-E223 VanDerWaalsContact CE-OE1 3.27Å; K95-E223 WeakPolarHBondContact CE-OE1 3.42Å; K95-E223 WeakPolarHBondContact CE-OE2 3.38Å; K95-E223 IonicContact NZ-OE1 3.8Å; K95-E223 IonicContact NZ-OE2 3.09Å; K95-E223 PolarHBondContact NZ-OE2 3.42Å; L159-E223 HydrophobicContact CD1-CB 3.69Å; N219-E223 PolarHBondContact O-N 3.12Å; L220-E223 PolarHBondContact O-N 3.39Å; E223-D225 VanDerWaalsContact C-N 3.32Å; E223-F226 WeakPolarHBondContact O-CE1 3.43Å
224	L	91.3	Very high	93	Very high	11 Å²	11	39.8 Å²	39.8	6%	0.058	19%	0.194	C	C	.	.	S	Bend	trans	-83.7	-8.8	173.6	-68.6	172.5	0	0	0	113.2	L159 Q178 V182 L220 P221 E258	L159-L224 HydrophobicContact CB-CD2 4.43Å; L159-L224 HydrophobicContact CD1-CD2 4.22Å; L159-L224 HydrophobicContact CD2-CD2 4.31Å; Q178-L224 HydrophobicContact CG-CD2 4.41Å; Q178-L224 PolarHBondContact NE2-O 2.77Å; V182-L224 HydrophobicContact CB-CD2 4.49Å; V182-L224 HydrophobicContact CG1-CD2 3.64Å; L220-L224 HydrophobicContact CD1-CG 4.37Å; L220-L224 HydrophobicContact CG-CD1 4.07Å; L220-L224 HydrophobicContact CG-CG 4.39Å; L220-L224 WeakPolarHBondContact O-CB 3.21Å; L220-L224 WeakPolarHBondContact O-CG 3.46Å; L220-L224 PolarHBondContact O-N 3.19Å; P221-L224 PolarHBondContact O-N 3.31Å; L224-E258 VanDerWaalsContact O-O 3.06Å
225	D	95.1	Very high	93.5	Very high	39 Å²	39	41.4 Å²	41.4	21%	0.209	20%	0.198	C	C	.	.			trans	-99	96.9	170.8	175.9	8.5	0	0	0	109.7	P221 L222 E223 L227 N228 E229	P221-D225 PolarHBondContact O-N 3.38Å; L222-D225 PolarHBondContact O-N 3.14Å; E223-D225 VanDerWaalsContact C-N 3.32Å; D225-L227 PolarHBondContact O-N 3.4Å; D225-L227 WeakPolarHBondContact OD1-CA 3.24Å; D225-L227 VanDerWaalsContact OD1-CB 3.3Å; D225-L227 WeakPolarHBondContact OD1-CB 3.29Å; D225-L227 PolarHBondContact OD1-N 3.41Å; D225-N228 HydrophobicContact CB-CB 4.06Å; D225-N228 WeakPolarHBondContact O-CB 3.24Å; D225-N228 PolarHBondContact O-N 3.27Å; D225-N228 VanDerWaalsContact O-N 3.12Å; D225-N228 PolarHBondContact OD1-N 2.96Å; D225-N228 WeakPolarHBondContact OD2-CB 3.32Å; D225-E229 PolarHBondContact O-N 2.87Å
226	F	97.1	Very high	94.1	Very high	2 Å²	2	41 Å²	41	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-69.7	-16.4	178.7	-74.4	-7.1	0	0	0	114.7	A160 K176 Q178 E223 E229 G230 E258 L261	A160-F226 HydrophobicContact CB-CE2 4.08Å; A160-F226 HydrophobicContact CB-CZ 3.62Å; K176-F226 HydrophobicContact CD-CE1 4.38Å; K176-F226 HydrophobicContact CD-CE2 4.2Å; K176-F226 HydrophobicContact CD-CZ 4.07Å; K176-F226 HydrophobicContact CG-CE2 3.9Å; K176-F226 HydrophobicContact CG-CZ 4.08Å; Q178-F226 HydrophobicContact CB-CE2 3.93Å; Q178-F226 HydrophobicContact CB-CZ 4.15Å; E223-F226 WeakPolarHBondContact O-CE1 3.43Å; F226-E229 PolarHBondContact O-N 2.94Å; F226-G230 PolarHBondContact O-N 3.33Å; F226-E258 WeakPolarHBondContact CB-O 3.45Å; F226-E258 PolarHBondContact N-O 3.23Å; F226-L261 HydrophobicContact CB-CB 4Å; F226-L261 HydrophobicContact CD2-CB 4.06Å; F226-L261 HydrophobicContact CG-CB 4.22Å
227	L	97.6	Very high	94.6	Very high	34 Å²	34	43.3 Å²	43.3	18%	0.178	21%	0.211	C	C	.	.	H	α-helix	trans	-71.5	-37.1	170.2	-58.8	176.5	0	0	0	110.5	D225 G230 R231 W253 E258	D225-L227 PolarHBondContact O-N 3.4Å; D225-L227 WeakPolarHBondContact OD1-CA 3.24Å; D225-L227 VanDerWaalsContact OD1-CB 3.3Å; D225-L227 WeakPolarHBondContact OD1-CB 3.29Å; D225-L227 PolarHBondContact OD1-N 3.41Å; L227-G230 PolarHBondContact O-N 3.4Å; L227-R231 VanDerWaalsContact O-CG 3.28Å; L227-R231 WeakPolarHBondContact O-CG 3.44Å; L227-R231 PolarHBondContact O-N 3.28Å; L227-W253 HydrophobicContact CB-CZ3 4.44Å; L227-W253 HydrophobicContact CD2-CE3 4.22Å; L227-W253 HydrophobicContact CD2-CZ3 3.89Å; L227-E258 HydrophobicContact CD1-CG 4.17Å
228	N	97.6	Very high	95	Very high	34 Å²	34	44.5 Å²	44.5	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-44.2	171	171.8	69.8	0	0	0	111.4	L222 D225 G230 R231 N232	L222-N228 PolarHBondContact O-ND2 2.73Å; L222-N228 VanDerWaalsContact O-ND2 3.09Å; D225-N228 HydrophobicContact CB-CB 4.06Å; D225-N228 WeakPolarHBondContact O-CB 3.24Å; D225-N228 PolarHBondContact O-N 3.27Å; D225-N228 VanDerWaalsContact O-N 3.12Å; D225-N228 PolarHBondContact OD1-N 2.96Å; D225-N228 WeakPolarHBondContact OD2-CB 3.32Å; N228-G230 PolarHBondContact O-N 3.01Å; N228-R231 PolarHBondContact O-N 3.5Å; N228-N232 VanDerWaalsContact O-CG 3.25Å; N228-N232 PolarHBondContact O-N 2.88Å; N228-N232 PolarHBondContact O-ND2 2.94Å
229	E	97.3	Very high	95.5	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-56.4	-49.2	173.2	176.8	168.7	172.8	0	0	112.1	K176 D225 F226 R231 N232 A233 L261 H332	K176-E229 IonicContact NZ-OE1 3.15Å; K176-E229 PolarHBondContact NZ-OE1 2.79Å; K176-E229 IonicContact NZ-OE2 3.69Å; K176-E229 PolarHBondContact NZ-OE2 3.35Å; D225-E229 PolarHBondContact O-N 2.87Å; F226-E229 PolarHBondContact O-N 2.94Å; E229-R231 VanDerWaalsContact C-N 3.32Å; E229-R231 PolarHBondContact O-N 3.42Å; E229-N232 WeakPolarHBondContact O-CB 3.49Å; E229-N232 PolarHBondContact O-N 3.44Å; E229-A233 PolarHBondContact O-N 3.03Å; E229-L261 HydrophobicContact CB-CD2 4.3Å; E229-L261 HydrophobicContact CG-CD2 3.79Å; E229-H332 HydrophobicContact CG-CB 3.88Å; E229-H332 WeakPolarHBondContact O-CB 3.49Å; E229-H332 PolarHBondContact OE1-N 3.35Å
230	G	98	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-39.6	177.3	0	0	0	0	0	113.4	F226 L227 N228 N232 A233 E234 W253	F226-G230 PolarHBondContact O-N 3.33Å; L227-G230 PolarHBondContact O-N 3.4Å; N228-G230 PolarHBondContact O-N 3.01Å; G230-N232 VanDerWaalsContact C-N 3.33Å; G230-N232 PolarHBondContact O-N 2.96Å; G230-A233 WeakPolarHBondContact O-CB 3.44Å; G230-A233 PolarHBondContact O-N 2.96Å; G230-E234 PolarHBondContact O-N 2.62Å; G230-E234 VanDerWaalsContact O-N 3.11Å; G230-W253 VanDerWaalsContact C-CH2 3.43Å
231	R	98.4	Very high	96.2	Very high	132 Å²	132	47.8 Å²	47.8	50%	0.498	23%	0.234	S	C	.	.	H	α-helix	trans	-67	-37.5	178.2	-71.4	172.4	-163.9	121.7	0.3	111	L227 N228 E229 K235 W253	L227-R231 VanDerWaalsContact O-CG 3.28Å; L227-R231 WeakPolarHBondContact O-CG 3.44Å; L227-R231 PolarHBondContact O-N 3.28Å; N228-R231 PolarHBondContact O-N 3.5Å; E229-R231 VanDerWaalsContact C-N 3.32Å; E229-R231 PolarHBondContact O-N 3.42Å; R231-K235 VanDerWaalsContact O-CB 3.29Å; R231-K235 WeakPolarHBondContact O-CB 3.29Å; R231-K235 PolarHBondContact O-N 3.42Å; R231-W253 HydrophobicContact CG-CH2 3.79Å; R231-W253 HydrophobicContact CG-CZ2 4.36Å
232	N	98.4	Very high	96.5	Very high	17 Å²	17	49.3 Å²	49.3	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-41.1	175.1	-68.3	-28.9	0	0	0	111.4	N228 E229 G230 K235 V236 F304 H332 Y335	N228-N232 VanDerWaalsContact O-CG 3.25Å; N228-N232 PolarHBondContact O-N 2.88Å; N228-N232 PolarHBondContact O-ND2 2.94Å; E229-N232 WeakPolarHBondContact O-CB 3.49Å; E229-N232 PolarHBondContact O-N 3.44Å; G230-N232 VanDerWaalsContact C-N 3.33Å; G230-N232 PolarHBondContact O-N 2.96Å; N232-K235 PolarHBondContact O-N 3.19Å; N232-V236 WeakPolarHBondContact O-CG2 3.37Å; N232-V236 PolarHBondContact O-N 3.38Å; N232-F304 HydrophobicContact CB-CZ 4.37Å; N232-F304 WeakPolarHBondContact OD1-CZ 3.44Å; N232-H332 HydrophobicContact CB-CB 4Å; N232-H332 WeakPolarHBondContact CB-O 3.49Å; N232-H332 PolarHBondContact ND2-O 2.83Å; N232-H332 VanDerWaalsContact ND2-O 3.12Å; N232-Y335 HydrophobicContact CB-CD2 3.7Å; N232-Y335 HydrophobicContact CB-CE2 3.78Å; N232-Y335 HydrophobicContact CB-CG 4.36Å
233	A	98.1	Very high	96.7	Very high	3 Å²	3	45.8 Å²	45.8	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-52.8	176.3	0	0	0	0	0	111.5	E229 G230 K235 V236 S237 V248 I251 H332	E229-A233 PolarHBondContact O-N 3.03Å; G230-A233 WeakPolarHBondContact O-CB 3.44Å; G230-A233 PolarHBondContact O-N 2.96Å; A233-K235 PolarHBondContact O-N 3.33Å; A233-V236 PolarHBondContact O-N 2.76Å; A233-S237 WeakPolarHBondContact O-CB 3.41Å; A233-S237 PolarHBondContact O-N 2.99Å; A233-V248 HydrophobicContact CB-CG1 3.89Å; A233-I251 HydrophobicContact CB-CD1 4.15Å; A233-I251 HydrophobicContact CB-CG1 4.28Å; A233-H332 HydrophobicContact CB-CB 4.06Å; A233-H332 VanDerWaalsContact CB-CD2 3.46Å; A233-H332 WeakPolarHBondContact CB-CD2 3.18Å
234	E	98	Very high	96.9	Very high	93 Å²	93	50.7 Å²	50.7	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-42.4	178.5	-69.8	-167.3	148.5	0	0	112.7	G230 V236 S237 Q238 I251 W253	G230-E234 PolarHBondContact O-N 2.62Å; G230-E234 VanDerWaalsContact O-N 3.11Å; E234-V236 VanDerWaalsContact C-N 3.35Å; E234-V236 PolarHBondContact O-N 3.14Å; E234-S237 WeakPolarHBondContact O-CB 3.41Å; E234-S237 PolarHBondContact O-N 2.87Å; E234-Q238 PolarHBondContact O-N 2.62Å; E234-I251 HydrophobicContact CG-CG1 4.46Å; E234-W253 HydrophobicContact CG-CZ2 4.27Å; E234-W253 PolarHBondContact OE1-NE1 3.37Å; E234-W253 PolarHBondContact OE2-NE1 2.87Å
235	K	98.3	Very high	97.1	Very high	102 Å²	102	50.4 Å²	50.4	44%	0.443	24%	0.24	S	C	.	.	H	α-helix	trans	-59.3	-45.7	177.3	-178.5	174.4	173.7	-171	0	111.4	R231 N232 A233 Q238 M239 F304	R231-K235 VanDerWaalsContact O-CB 3.29Å; R231-K235 WeakPolarHBondContact O-CB 3.29Å; R231-K235 PolarHBondContact O-N 3.42Å; N232-K235 PolarHBondContact O-N 3.19Å; A233-K235 PolarHBondContact O-N 3.33Å; K235-Q238 PolarHBondContact O-N 2.99Å; K235-M239 WeakPolarHBondContact O-CB 3.46Å; K235-M239 PolarHBondContact O-N 2.81Å; K235-F304 HydrophobicContact CB-CE1 4.28Å; K235-F304 HydrophobicContact CD-CD1 3.98Å; K235-F304 HydrophobicContact CD-CE1 3.6Å; K235-F304 HydrophobicContact CD-CE2 4.26Å; K235-F304 HydrophobicContact CD-CG 4.46Å; K235-F304 HydrophobicContact CD-CZ 3.76Å; K235-F304 HydrophobicContact CG-CD1 4.2Å; K235-F304 HydrophobicContact CG-CE1 3.91Å
236	V	98	Very high	97.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-41.8	176.9	169	0	0	0	0	111.9	N232 A233 E234 Q238 M239 L240 V248 M298 F304 Y335	N232-V236 WeakPolarHBondContact O-CG2 3.37Å; N232-V236 PolarHBondContact O-N 3.38Å; A233-V236 PolarHBondContact O-N 2.76Å; E234-V236 VanDerWaalsContact C-N 3.35Å; E234-V236 PolarHBondContact O-N 3.14Å; V236-Q238 VanDerWaalsContact C-N 3.27Å; V236-Q238 PolarHBondContact O-N 2.82Å; V236-M239 HydrophobicContact CG2-CE 4.12Å; V236-M239 PolarHBondContact O-N 2.79Å; V236-L240 HydrophobicContact CG1-CD1 4.02Å; V236-L240 HydrophobicContact CG1-CG 4.43Å; V236-L240 WeakPolarHBondContact O-CB 3.44Å; V236-L240 PolarHBondContact O-N 2.87Å; V236-V248 HydrophobicContact CG1-CG2 4.27Å; V236-M298 HydrophobicContact CG1-CE 3.72Å; V236-F304 HydrophobicContact CG2-CD1 3.93Å; V236-F304 HydrophobicContact CG2-CE1 3.67Å; V236-Y335 HydrophobicContact CG2-CE1 3.38Å; V236-Y335 VanDerWaalsContact CG2-CZ 3.49Å; V236-Y335 WeakPolarHBondContact CG2-OH 3.49Å
237	S	97.6	Very high	97.2	Very high	55 Å²	55	51.4 Å²	51.4	39%	0.385	24%	0.243	S	C	.	.	H	α-helix	trans	-55.8	-43.7	176	-171.9	0	0	0	0	111.4	A233 E234 K241	A233-S237 WeakPolarHBondContact O-CB 3.41Å; A233-S237 PolarHBondContact O-N 2.99Å; E234-S237 WeakPolarHBondContact O-CB 3.41Å; E234-S237 PolarHBondContact O-N 2.87Å; S237-K241 WeakPolarHBondContact O-CA 3Å; S237-K241 PolarHBondContact O-N 3.19Å; S237-K241 VanDerWaalsContact O-N 3.16Å
238	Q	97.8	Very high	97.2	Very high	121 Å²	121	50.2 Å²	50.2	57%	0.565	24%	0.238	S	C	*	.	H	α-helix	trans	-74.3	-42.5	179.2	-178.8	63	3.3	0	0	112.4	E234 K235 V236 L240 K241	E234-Q238 PolarHBondContact O-N 2.62Å; K235-Q238 PolarHBondContact O-N 2.99Å; V236-Q238 VanDerWaalsContact C-N 3.27Å; V236-Q238 PolarHBondContact O-N 2.82Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 3.4Å; Q238-K241 WeakPolarHBondContact O-CG 3.01Å
239	M	97	Very high	97.2	Very high	40 Å²	40	48.9 Å²	48.9	20%	0.197	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-39.9	179.8	-179.2	179.9	75.4	0	0	111.7	K235 V236 M298 N302 F304	K235-M239 WeakPolarHBondContact O-CB 3.46Å; K235-M239 PolarHBondContact O-N 2.81Å; V236-M239 HydrophobicContact CG2-CE 4.12Å; V236-M239 PolarHBondContact O-N 2.79Å; M239-M298 HydrophobicContact CE-CG 3.9Å; M239-N302 HydrophobicContact CE-CB 4.38Å; M239-N302 HydrophobicContact CG-CB 4.24Å; M239-N302 VanDerWaalsContact CG-ND2 3.34Å; M239-N302 WeakPolarHBondContact CG-ND2 3.38Å; M239-N302 HydrophobicContact SD-CB 3.43Å; M239-N302 WeakPolarHBondContact SD-CB 3.34Å; M239-N302 PolarHBondContact SD-ND2 3.47Å; M239-N302 VanDerWaalsContact SD-ND2 3.45Å; M239-F304 HydrophobicContact CE-CD1 4.23Å; M239-F304 HydrophobicContact SD-CB 4.1Å; M239-F304 HydrophobicContact SD-CD1 4.25Å
240	L	96.9	Very high	97.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	17.4	-174.8	-58.4	-173.7	0	0	0	113.7	V236 Q238 H242 F243 L246 M294 E297 M298	V236-L240 HydrophobicContact CG1-CD1 4.02Å; V236-L240 HydrophobicContact CG1-CG 4.43Å; V236-L240 WeakPolarHBondContact O-CB 3.44Å; V236-L240 PolarHBondContact O-N 2.87Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 3.4Å; L240-H242 PolarHBondContact O-N 3.43Å; L240-F243 HydrophobicContact CB-CD2 4.07Å; L240-F243 HydrophobicContact CD1-CD2 4.37Å; L240-F243 HydrophobicContact CD1-CE2 4.48Å; L240-F243 HydrophobicContact CD2-CD2 4.21Å; L240-F243 HydrophobicContact CD2-CE2 3.87Å; L240-F243 HydrophobicContact CG-CD2 4.46Å; L240-F243 WeakPolarHBondContact O-CB 3.47Å; L240-F243 PolarHBondContact O-N 3Å; L240-L246 HydrophobicContact CB-CD2 3.64Å; L240-L246 HydrophobicContact CD1-CD2 3.78Å; L240-L246 HydrophobicContact CG-CD2 4.37Å; L240-M294 HydrophobicContact CD1-CG 3.82Å; L240-E297 HydrophobicContact CD2-CB 4.19Å; L240-E297 HydrophobicContact CD2-CG 3.68Å; L240-M298 HydrophobicContact CD1-CE 3.41Å; L240-M298 VanDerWaalsContact CD1-CE 3.41Å; L240-M298 HydrophobicContact CD1-CG 4.03Å
241	K	96.5	Very high	97.3	Very high	150 Å²	150	58.7 Å²	58.7	65%	0.652	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-19.1	-179.2	71.6	-178.6	-178.6	-178.8	0	115.6	S237 Q238 F243	S237-K241 WeakPolarHBondContact O-CA 3Å; S237-K241 PolarHBondContact O-N 3.19Å; S237-K241 VanDerWaalsContact O-N 3.16Å; Q238-K241 WeakPolarHBondContact O-CG 3.01Å; K241-F243 VanDerWaalsContact C-N 3.32Å
242	H	95.4	Very high	97.2	Very high	107 Å²	107	53.9 Å²	53.9	50%	0.495	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.9	179.9	65.3	-84.3	0	0	0	112.9	L240 E297	L240-H242 PolarHBondContact O-N 3.43Å; H242-E297 IonicContact NE2-OE1 3.09Å
243	F	95.9	Very high	97.2	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.031	26%	0.262	C	S	.	.			trans	-90.8	99.9	169.7	-66.2	-22	0	0	0	109.6	L240 K241 F245 L246 K293 M294 E297	L240-F243 HydrophobicContact CB-CD2 4.07Å; L240-F243 HydrophobicContact CD1-CD2 4.37Å; L240-F243 HydrophobicContact CD1-CE2 4.48Å; L240-F243 HydrophobicContact CD2-CD2 4.21Å; L240-F243 HydrophobicContact CD2-CE2 3.87Å; L240-F243 HydrophobicContact CG-CD2 4.46Å; L240-F243 WeakPolarHBondContact O-CB 3.47Å; L240-F243 PolarHBondContact O-N 3Å; K241-F243 VanDerWaalsContact C-N 3.32Å; F243-F245 HydrophobicContact CB-CD1 4.13Å; F243-F245 HydrophobicContact CB-CE1 3.68Å; F243-F245 HydrophobicContact CB-CE2 4.13Å; F243-F245 HydrophobicContact CB-CZ 3.69Å; F243-F245 AromaticContact CD1-CE1 3.83Å; F243-F245 HydrophobicContact CD1-CE1 3.83Å; F243-F245 AromaticContact CD1-CZ 3.98Å; F243-F245 HydrophobicContact CD1-CZ 3.98Å; F243-F245 HydrophobicContact CD2-CE1 4.44Å; F243-F245 HydrophobicContact CD2-CE2 4.38Å; F243-F245 AromaticContact CD2-CZ 3.8Å; F243-F245 HydrophobicContact CD2-CZ 3.8Å; F243-F245 HydrophobicContact CE2-CZ 4.45Å; F243-F245 AromaticContact CG-CE1 3.73Å; F243-F245 HydrophobicContact CG-CE1 3.73Å; F243-F245 HydrophobicContact CG-CE2 4.31Å; F243-F245 AromaticContact CG-CZ 3.54Å; F243-F245 HydrophobicContact CG-CZ 3.54Å; F243-F245 PolarHBondContact O-N 3.27Å; F243-L246 HydrophobicContact CB-CB 4.08Å; F243-L246 PolarHBondContact O-N 3.47Å; F243-L246 VanDerWaalsContact O-N 3.12Å; F243-K293 HydrophobicContact CE1-CD 4.05Å; F243-K293 HydrophobicContact CE1-CG 4.25Å; F243-K293 HydrophobicContact CZ-CD 4.35Å; F243-K293 HydrophobicContact CZ-CG 4.04Å; F243-M294 HydrophobicContact CE2-CB 4.49Å; F243-E297 HydrophobicContact CE2-CB 3.82Å; F243-E297 HydrophobicContact CE2-CG 3.96Å; F243-E297 HydrophobicContact CZ-CB 3.83Å; F243-E297 HydrophobicContact CZ-CG 3.79Å
244	D	94.5	Very high	97	Very high	111 Å²	111	64.6 Å²	64.6	59%	0.594	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.6	178.5	65.8	-28.2	0	0	0	113.9	K324	D244-K324 IonicContact OD2-NZ 3.99Å; D244-K324 PolarHBondContact OD2-NZ 3.48Å
245	F	95.9	Very high	96.9	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.026	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.6	176	63.2	-98.9	0	0	0	113.8	F243 H290 K293 M294 E326 I327	F243-F245 HydrophobicContact CB-CD1 4.13Å; F243-F245 HydrophobicContact CB-CE1 3.68Å; F243-F245 HydrophobicContact CB-CE2 4.13Å; F243-F245 HydrophobicContact CB-CZ 3.69Å; F243-F245 AromaticContact CD1-CE1 3.83Å; F243-F245 HydrophobicContact CD1-CE1 3.83Å; F243-F245 AromaticContact CD1-CZ 3.98Å; F243-F245 HydrophobicContact CD1-CZ 3.98Å; F243-F245 HydrophobicContact CD2-CE1 4.44Å; F243-F245 HydrophobicContact CD2-CE2 4.38Å; F243-F245 AromaticContact CD2-CZ 3.8Å; F243-F245 HydrophobicContact CD2-CZ 3.8Å; F243-F245 HydrophobicContact CE2-CZ 4.45Å; F243-F245 AromaticContact CG-CE1 3.73Å; F243-F245 HydrophobicContact CG-CE1 3.73Å; F243-F245 HydrophobicContact CG-CE2 4.31Å; F243-F245 AromaticContact CG-CZ 3.54Å; F243-F245 HydrophobicContact CG-CZ 3.54Å; F243-F245 PolarHBondContact O-N 3.27Å; F245-H290 WeakPolarHBondContact CB-ND1 3.48Å; F245-H290 AromaticContact CD1-CD2 3.56Å; F245-H290 AromaticContact CD1-CE1 3.91Å; F245-H290 AromaticContact CD1-CG 3.85Å; F245-H290 AromaticContact CD1-NE2 3.63Å; F245-H290 HydrophobicContact CD2-CB 3.51Å; F245-H290 AromaticContact CD2-CG 3.55Å; F245-H290 AromaticContact CD2-ND1 3.82Å; F245-H290 AromaticContact CE1-CD2 3.74Å; F245-H290 HydrophobicContact CE2-CB 3.57Å; F245-H290 AromaticContact CE2-CG 3.91Å; F245-H290 HydrophobicContact CG-CB 4.04Å; F245-H290 AromaticContact CG-CD2 3.74Å; F245-H290 AromaticContact CG-CE1 3.71Å; F245-H290 AromaticContact CG-CG 3.51Å; F245-H290 AromaticContact CG-ND1 3.49Å; F245-H290 WeakPolarHBondContact CG-ND1 3.26Å; F245-H290 AromaticContact CG-NE2 3.89Å; F245-H290 HydrophobicContact CZ-CB 4.14Å; F245-K293 HydrophobicContact CE1-CD 4.08Å; F245-K293 HydrophobicContact CZ-CD 4.15Å; F245-M294 HydrophobicContact CE2-CB 4.35Å; F245-E326 CarbonylContact O-C 3.26Å; F245-E326 WeakPolarHBondContact O-CA 3.28Å; F245-I327 HydrophobicContact CD2-CD1 4.4Å; F245-I327 PolarHBondContact O-N 3.07Å
246	L	97.4	Very high	96.9	Very high	24 Å²	24	57.9 Å²	57.9	13%	0.126	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.3	-177	174.5	61.1	0	0	0	111.4	L240 F243 V248 M294 L329	L240-L246 HydrophobicContact CB-CD2 3.64Å; L240-L246 HydrophobicContact CD1-CD2 3.78Å; L240-L246 HydrophobicContact CG-CD2 4.37Å; F243-L246 HydrophobicContact CB-CB 4.08Å; F243-L246 PolarHBondContact O-N 3.47Å; F243-L246 VanDerWaalsContact O-N 3.12Å; L246-V248 HydrophobicContact CD1-CG2 4.4Å; L246-V248 HydrophobicContact CG-CG2 4.39Å; L246-M294 HydrophobicContact CD1-SD 3.63Å; L246-M294 HydrophobicContact CD2-CG 4.42Å; L246-M294 HydrophobicContact CD2-SD 3.91Å; L246-M294 HydrophobicContact CG-SD 4.3Å; L246-L329 HydrophobicContact CD1-CB 4.44Å; L246-L329 HydrophobicContact CD1-CD1 3.95Å; L246-L329 HydrophobicContact CD1-CG 3.82Å
247	K	97.4	Very high	96.9	Very high	37 Å²	37	59.1 Å²	59.1	16%	0.161	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.8	167.6	179.3	64.2	172.1	177.4	0	110.1	E264 V266 E326 I327 V328 L329	K247-E264 VanDerWaalsContact CE-OE1 3.24Å; K247-E264 WeakPolarHBondContact CE-OE1 3.36Å; K247-E264 WeakPolarHBondContact CE-OE2 3.04Å; K247-E264 IonicContact NZ-OE1 3.33Å; K247-E264 PolarHBondContact NZ-OE1 2.96Å; K247-E264 IonicContact NZ-OE2 3.38Å; K247-E264 PolarHBondContact NZ-OE2 3.34Å; K247-V266 HydrophobicContact CG-CG1 4.41Å; K247-V266 HydrophobicContact CG-CG2 4.5Å; K247-E326 HydrophobicContact CB-CG 3.91Å; K247-E326 WeakPolarHBondContact CB-OE1 3.29Å; K247-I327 PolarHBondContact N-O 3.19Å; K247-V328 HydrophobicContact CB-CB 4.49Å; K247-V328 HydrophobicContact CB-CG1 4.4Å; K247-V328 HydrophobicContact CB-CG2 4.18Å; K247-V328 HydrophobicContact CG-CG1 4.17Å; K247-V328 HydrophobicContact CG-CG2 4.41Å; K247-V328 VanDerWaalsContact O-CA 3.32Å; K247-V328 WeakPolarHBondContact O-CA 3.39Å; K247-L329 PolarHBondContact O-N 3.39Å
248	V	97.9	Very high	96.8	Very high	10 Å²	10	60.4 Å²	60.4	6%	0.061	28%	0.283	C	S	.	.			trans	-112.7	124.2	162.5	178.7	0	0	0	0	106.9	A233 V236 L246 H332	A233-V248 HydrophobicContact CB-CG1 3.89Å; V236-V248 HydrophobicContact CG1-CG2 4.27Å; L246-V248 HydrophobicContact CD1-CG2 4.4Å; L246-V248 HydrophobicContact CG-CG2 4.39Å; V248-H332 WeakPolarHBondContact CG1-NE2 3.26Å
249	P	97.4	Very high	96.7	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.039	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-55.5	137.9	176.1	-26.9	35.7	0	0	0	112.1	M263 E264 V266 V328 L329 L330	P249-M263 HydrophobicContact CB-CB 4.11Å; P249-M263 HydrophobicContact CB-CG 4.29Å; P249-M263 HydrophobicContact CB-SD 4.26Å; P249-M263 HydrophobicContact CG-SD 4.42Å; P249-E264 HydrophobicContact CB-CB 4.16Å; P249-V266 HydrophobicContact CB-CG2 4.28Å; P249-V266 HydrophobicContact CG-CG2 3.96Å; P249-V328 HydrophobicContact CG-CG1 4.16Å; P249-L329 WeakPolarHBondContact CD-O 3.32Å; P249-L330 HydrophobicContact CG-CD2 3.99Å
250	R	97.6	Very high	96.7	Very high	190 Å²	190	54.4 Å²	54.4	72%	0.717	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-70.9	141.1	175.1	-66	-177.9	-178.8	-177.8	2.9	110.7	M263 E264	R250-M263 CarbonylContact O-C 3.6Å; R250-M263 VanDerWaalsContact O-CA 3.23Å; R250-M263 WeakPolarHBondContact O-CA 3.32Å; R250-E264 HydrophobicContact CB-CB 4.32Å; R250-E264 PolarHBondContact N-OE2 3.42Å; R250-E264 PolarHBondContact O-N 3Å
251	I	98.3	Very high	96.7	Very high	19 Å²	19	54.4 Å²	54.4	10%	0.097	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-87.3	137.6	176.5	-53.6	-54.4	0	0	0	110	A233 E234 W253 L261 M263	A233-I251 HydrophobicContact CB-CD1 4.15Å; A233-I251 HydrophobicContact CB-CG1 4.28Å; E234-I251 HydrophobicContact CG-CG1 4.46Å; I251-W253 HydrophobicContact CB-CD2 4.45Å; I251-W253 HydrophobicContact CB-CZ2 4.23Å; I251-W253 HydrophobicContact CG1-CZ2 4.47Å; I251-W253 HydrophobicContact CG2-CD2 3.77Å; I251-W253 HydrophobicContact CG2-CE3 4.04Å; I251-W253 HydrophobicContact CG2-CG 4.25Å; I251-W253 HydrophobicContact CG2-CH2 4.26Å; I251-W253 HydrophobicContact CG2-CZ2 4.02Å; I251-W253 HydrophobicContact CG2-CZ3 4.26Å; I251-L261 HydrophobicContact CD1-CD1 4.23Å; I251-L261 HydrophobicContact CG2-CD1 3.85Å; I251-M263 HydrophobicContact CD1-CB 4.03Å
252	H	97.5	Very high	96.8	Very high	31 Å²	31	47.2 Å²	47.2	14%	0.144	22%	0.222	C	C	.	.			trans	-97.4	84.9	172	-68	-102.3	0	0	0	109.1	D254 L255 S256 L262	H252-D254 VanDerWaalsContact C-N 3.34Å; H252-D254 PolarHBondContact O-N 3.31Å; H252-L255 PolarHBondContact O-N 3.23Å; H252-S256 PolarHBondContact O-N 3.45Å; H252-S256 PolarHBondContact O-OG 3.25Å; H252-L262 HydrophobicContact CB-CB 3.84Å; H252-L262 PolarHBondContact N-O 3.06Å
253	W	97.6	Very high	96.9	Very high	81 Å²	81	42.7 Å²	42.7	31%	0.307	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-60.2	-38.3	-172.8	-70.7	111.6	0	0	0	114.5	L227 G230 R231 E234 I251 L255 S256	L227-W253 HydrophobicContact CB-CZ3 4.44Å; L227-W253 HydrophobicContact CD2-CE3 4.22Å; L227-W253 HydrophobicContact CD2-CZ3 3.89Å; G230-W253 VanDerWaalsContact C-CH2 3.43Å; R231-W253 HydrophobicContact CG-CH2 3.79Å; R231-W253 HydrophobicContact CG-CZ2 4.36Å; E234-W253 HydrophobicContact CG-CZ2 4.27Å; E234-W253 PolarHBondContact OE1-NE1 3.37Å; E234-W253 PolarHBondContact OE2-NE1 2.87Å; I251-W253 HydrophobicContact CB-CD2 4.45Å; I251-W253 HydrophobicContact CB-CZ2 4.23Å; I251-W253 HydrophobicContact CG1-CZ2 4.47Å; I251-W253 HydrophobicContact CG2-CD2 3.77Å; I251-W253 HydrophobicContact CG2-CE3 4.04Å; I251-W253 HydrophobicContact CG2-CG 4.25Å; I251-W253 HydrophobicContact CG2-CH2 4.26Å; I251-W253 HydrophobicContact CG2-CZ2 4.02Å; I251-W253 HydrophobicContact CG2-CZ3 4.26Å; W253-L255 PolarHBondContact O-N 3.49Å; W253-S256 PolarHBondContact O-N 3.46Å
254	D	94.9	Very high	97	Very high	165 Å²	165	44.8 Å²	44.8	88%	0.882	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-62.7	-15.6	-178.5	-56.2	-42.2	0	0	0	113.5	H252	H252-D254 VanDerWaalsContact C-N 3.34Å; H252-D254 PolarHBondContact O-N 3.31Å
255	L	95.3	Very high	97.1	Very high	40 Å²	40	42.4 Å²	42.4	21%	0.209	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-123.1	16.3	-179	-63.5	176	0	0	0	111.9	L145 L167 H252 W253 L262	L145-L255 HydrophobicContact CD2-CD2 3.92Å; L167-L255 HydrophobicContact CD2-CD1 3.68Å; H252-L255 PolarHBondContact O-N 3.23Å; W253-L255 PolarHBondContact O-N 3.49Å; L255-L262 HydrophobicContact CB-CB 4.44Å; L255-L262 HydrophobicContact CB-CD1 4.47Å; L255-L262 HydrophobicContact CB-CD2 3.62Å; L255-L262 HydrophobicContact CB-CG 4.38Å; L255-L262 HydrophobicContact CD1-CD2 3.68Å; L255-L262 HydrophobicContact CG-CD2 4.31Å; L255-L262 WeakPolarHBondContact O-CD1 3.39Å
256	S	97.9	Very high	97.1	Very high	14 Å²	14	42.5 Å²	42.5	10%	0.098	20%	0.197	C	C	.	.			trans	-114.6	141.1	-179.6	-60.7	0	0	0	0	111.6	H252 W253 V260 L262	H252-S256 PolarHBondContact O-N 3.45Å; H252-S256 PolarHBondContact O-OG 3.25Å; W253-S256 PolarHBondContact O-N 3.46Å; S256-V260 CarbonylContact C-O 3.59Å; S256-V260 VanDerWaalsContact CA-O 3.27Å; S256-V260 WeakPolarHBondContact CA-O 3.37Å; S256-L262 PolarHBondContact OG-N 3.21Å; S256-L262 VanDerWaalsContact OG-N 3.11Å
257	T	97.4	Very high	96.9	Very high	26 Å²	26	45.4 Å²	45.4	16%	0.16	21%	0.213	C	C	.	.			trans	-134	-175.5	178	73.7	0	0	0	0	110	D137 L138 R259 V260	D137-T257 HydrophobicContact CB-CG2 4.12Å; D137-T257 PolarHBondContact OD1-OG1 3.11Å; L138-T257 HydrophobicContact CD2-CG2 3.61Å; T257-R259 PolarHBondContact O-N 2.81Å; T257-R259 PolarHBondContact OG1-N 3.27Å; T257-V260 PolarHBondContact N-O 3.02Å; T257-V260 VanDerWaalsContact O-O 3.09Å; T257-V260 PolarHBondContact OG1-N 3.11Å
258	E	95.6	Very high	96.8	Very high	81 Å²	81	45 Å²	45	38%	0.379	22%	0.219	S	C	.	.	S	Bend	trans	-61.9	-27.6	174.3	-64.4	-175.2	176.9	0	0	113	R183 L224 F226 L227	R183-E258 IonicContact CZ-OE2 3.45Å; R183-E258 IonicContact NH1-OE2 3.79Å; R183-E258 PolarHBondContact NH1-OE2 3.3Å; R183-E258 IonicContact NH2-OE2 3.03Å; R183-E258 PolarHBondContact NH2-OE2 3.15Å; L224-E258 VanDerWaalsContact O-O 3.06Å; F226-E258 WeakPolarHBondContact CB-O 3.45Å; F226-E258 PolarHBondContact N-O 3.23Å; L227-E258 HydrophobicContact CD1-CG 4.17Å
259	R	95.4	Very high	96.6	Very high	36 Å²	36	44.9 Å²	44.9	14%	0.136	22%	0.219	C	C	.	.	S	Bend	trans	-110.2	-10.1	-177	-59.1	168.3	51.4	-162	5.5	114.3	V133 E136 D137 Q178 T257	V133-R259 HydrophobicContact CG1-CB 4.04Å; E136-R259 IonicContact OE2-CZ 2.73Å; E136-R259 IonicContact OE2-NH1 3.87Å; E136-R259 PolarHBondContact OE2-NH1 3.25Å; E136-R259 IonicContact OE2-NH2 2.87Å; E136-R259 PolarHBondContact OE2-NH2 3.48Å; D137-R259 VanDerWaalsContact OD1-CB 3.32Å; D137-R259 WeakPolarHBondContact OD1-CB 3.43Å; D137-R259 VanDerWaalsContact OD2-CD 3.29Å; D137-R259 WeakPolarHBondContact OD2-CD 3.45Å; D137-R259 IonicContact OD2-CZ 2.94Å; D137-R259 VanDerWaalsContact OD2-CZ 3.27Å; D137-R259 IonicContact OD2-NE 2.86Å; D137-R259 PolarHBondContact OD2-NE 2.99Å; D137-R259 IonicContact OD2-NH1 2.93Å; D137-R259 PolarHBondContact OD2-NH1 3.02Å; Q178-R259 HydrophobicContact CB-CB 4.05Å; Q178-R259 WeakPolarHBondContact CB-O 3.19Å; Q178-R259 PolarHBondContact N-O 2.82Å; T257-R259 PolarHBondContact O-N 2.81Å; T257-R259 PolarHBondContact OG1-N 3.27Å
260	V	97.2	Very high	96.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.5	-179.8	-177.1	0	0	0	0	109.6	V133 D137 L138 V175 K176 V177 S256 T257 L262	V133-V260 HydrophobicContact CG1-CG2 4.04Å; D137-V260 HydrophobicContact CB-CG2 4.21Å; L138-V260 HydrophobicContact CD1-CG1 4.18Å; V175-V260 HydrophobicContact CG1-CG1 4.23Å; K176-V260 CarbonylContact O-C 3.58Å; K176-V260 WeakPolarHBondContact O-CA 3.41Å; V177-V260 HydrophobicContact CG1-CG2 4.49Å; S256-V260 CarbonylContact C-O 3.59Å; S256-V260 VanDerWaalsContact CA-O 3.27Å; S256-V260 WeakPolarHBondContact CA-O 3.37Å; T257-V260 PolarHBondContact N-O 3.02Å; T257-V260 VanDerWaalsContact O-O 3.09Å; T257-V260 PolarHBondContact OG1-N 3.11Å; V260-L262 HydrophobicContact CG1-CD1 3.62Å
261	L	98	Very high	96.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.3	174.2	-171.1	59.6	0	0	0	109.8	K176 F226 E229 I251 M263	K176-L261 HydrophobicContact CB-CB 4.15Å; K176-L261 PolarHBondContact N-O 2.93Å; K176-L261 PolarHBondContact O-N 3.06Å; F226-L261 HydrophobicContact CB-CB 4Å; F226-L261 HydrophobicContact CD2-CB 4.06Å; F226-L261 HydrophobicContact CG-CB 4.22Å; E229-L261 HydrophobicContact CB-CD2 4.3Å; E229-L261 HydrophobicContact CG-CD2 3.79Å; I251-L261 HydrophobicContact CD1-CD1 4.23Å; I251-L261 HydrophobicContact CG2-CD1 3.85Å; L261-M263 HydrophobicContact CD2-CE 3.92Å; L261-M263 HydrophobicContact CG-CE 4.31Å
262	L	97.7	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.3	169.3	-90.8	70.1	0	0	0	110.2	F146 L167 V173 A174 V175 H252 L255 S256 V260	F146-L262 HydrophobicContact CE1-CD2 3.7Å; F146-L262 HydrophobicContact CZ-CD1 4.43Å; F146-L262 HydrophobicContact CZ-CD2 3.89Å; L167-L262 HydrophobicContact CD2-CD2 4.35Å; V173-L262 HydrophobicContact CG2-CD2 4.24Å; A174-L262 WeakPolarHBondContact O-CA 3.48Å; V175-L262 HydrophobicContact CB-CD1 4.3Å; V175-L262 HydrophobicContact CG1-CD1 3.71Å; V175-L262 HydrophobicContact CG1-CG 4.45Å; V175-L262 HydrophobicContact CG2-CD1 4.18Å; V175-L262 HydrophobicContact CG2-CD2 4.48Å; V175-L262 HydrophobicContact CG2-CG 4.04Å; H252-L262 HydrophobicContact CB-CB 3.84Å; H252-L262 PolarHBondContact N-O 3.06Å; L255-L262 HydrophobicContact CB-CB 4.44Å; L255-L262 HydrophobicContact CB-CD1 4.47Å; L255-L262 HydrophobicContact CB-CD2 3.62Å; L255-L262 HydrophobicContact CB-CG 4.38Å; L255-L262 HydrophobicContact CD1-CD2 3.68Å; L255-L262 HydrophobicContact CG-CD2 4.31Å; L255-L262 WeakPolarHBondContact O-CD1 3.39Å; S256-L262 PolarHBondContact OG-N 3.21Å; S256-L262 VanDerWaalsContact OG-N 3.11Å; V260-L262 HydrophobicContact CG1-CD1 3.62Å
263	M	97.7	Very high	95.6	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.059	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.1	177	68.6	-176.5	89.8	0	0	111.4	V173 A174 K176 P249 R250 I251 L261 F265	V173-M263 CarbonylContact C-O 3.5Å; V173-M263 WeakPolarHBondContact CA-O 3.46Å; V173-M263 WeakPolarHBondContact CB-O 3.36Å; A174-M263 HydrophobicContact CB-CG 3.81Å; A174-M263 PolarHBondContact N-O 3.47Å; A174-M263 PolarHBondContact O-N 2.97Å; K176-M263 HydrophobicContact CB-CE 4.35Å; K176-M263 HydrophobicContact CD-CE 4.4Å; P249-M263 HydrophobicContact CB-CB 4.11Å; P249-M263 HydrophobicContact CB-CG 4.29Å; P249-M263 HydrophobicContact CB-SD 4.26Å; P249-M263 HydrophobicContact CG-SD 4.42Å; R250-M263 CarbonylContact O-C 3.6Å; R250-M263 VanDerWaalsContact O-CA 3.23Å; R250-M263 WeakPolarHBondContact O-CA 3.32Å; I251-M263 HydrophobicContact CD1-CB 4.03Å; L261-M263 HydrophobicContact CD2-CE 3.92Å; L261-M263 HydrophobicContact CG-CE 4.31Å; M263-F265 PolarHBondContact O-N 2.92Å
264	E	97.5	Very high	95.4	Very high	51 Å²	51	46.6 Å²	46.6	24%	0.238	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.5	129.3	170.6	179.4	-174.2	169.6	0	0	110.1	K247 P249 R250 V266	K247-E264 VanDerWaalsContact CE-OE1 3.24Å; K247-E264 WeakPolarHBondContact CE-OE1 3.36Å; K247-E264 WeakPolarHBondContact CE-OE2 3.04Å; K247-E264 IonicContact NZ-OE1 3.33Å; K247-E264 PolarHBondContact NZ-OE1 2.96Å; K247-E264 IonicContact NZ-OE2 3.38Å; K247-E264 PolarHBondContact NZ-OE2 3.34Å; P249-E264 HydrophobicContact CB-CB 4.16Å; R250-E264 HydrophobicContact CB-CB 4.32Å; R250-E264 PolarHBondContact N-OE2 3.42Å; R250-E264 PolarHBondContact O-N 3Å; E264-V266 HydrophobicContact CG-CG2 4.16Å; E264-V266 PolarHBondContact O-N 3.23Å
265	F	97.1	Very high	95.4	Very high	60 Å²	60	43.7 Å²	43.7	26%	0.263	22%	0.22	S	C	.	.			trans	-75	127.6	173	178.4	-98.2	0	0	0	110.1	L154 K164 T172 A174 M263 D267	L154-F265 HydrophobicContact CD1-CD2 4Å; L154-F265 HydrophobicContact CD1-CE2 3.62Å; L154-F265 HydrophobicContact CD2-CE2 4.29Å; K164-F265 HydrophobicContact CD-CE2 4.2Å; K164-F265 HydrophobicContact CD-CZ 4.25Å; K164-F265 HydrophobicContact CG-CD2 4.25Å; K164-F265 HydrophobicContact CG-CE2 4.3Å; T172-F265 HydrophobicContact CG2-CB 3.65Å; T172-F265 HydrophobicContact CG2-CD1 3.8Å; T172-F265 HydrophobicContact CG2-CG 3.77Å; T172-F265 WeakPolarHBondContact O-CB 3.44Å; T172-F265 PolarHBondContact O-N 3.42Å; A174-F265 HydrophobicContact CB-CD2 4.45Å; M263-F265 PolarHBondContact O-N 2.92Å; F265-D267 HydrophobicContact CE1-CB 4.38Å
266	V	95.8	Very high	95.4	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.055	22%	0.217	C	C	.	.			trans	-128.2	125.7	178.9	-169.7	0	0	0	0	108.5	K247 P249 E264 V328	K247-V266 HydrophobicContact CG-CG1 4.41Å; K247-V266 HydrophobicContact CG-CG2 4.5Å; P249-V266 HydrophobicContact CB-CG2 4.28Å; P249-V266 HydrophobicContact CG-CG2 3.96Å; E264-V266 HydrophobicContact CG-CG2 4.16Å; E264-V266 PolarHBondContact O-N 3.23Å; V266-V328 HydrophobicContact CB-CG1 3.96Å; V266-V328 HydrophobicContact CG1-CB 4.27Å; V266-V328 HydrophobicContact CG1-CG1 3.7Å; V266-V328 HydrophobicContact CG1-CG2 3.59Å; V266-V328 HydrophobicContact CG2-CG1 4.31Å
267	D	93.3	Very high	95.3	Very high	85 Å²	85	43 Å²	43	46%	0.455	21%	0.213	S	C	.	.			trans	-82.3	158.3	175.9	64.9	-61.4	0	0	0	112	F265 R317	F265-D267 HydrophobicContact CE1-CB 4.38Å; D267-R317 WeakPolarHBondContact O-CD 3.47Å; D267-R317 IonicContact OD1-NH1 3.63Å; D267-R317 PolarHBondContact OD1-NH1 3.07Å
268	G	94.8	Very high	95.2	Very high	29 Å²	29	48.7 Å²	48.7	30%	0.299	24%	0.237	S	C	.	.			trans	162	168.8	176.6	0	0	0	0	0	112.8	V316	G268-V316 WeakPolarHBondContact CA-O 3.49Å
269	G	94.7	Very high	95.2	Very high	6 Å²	6	53.2 Å²	53.2	6%	0.062	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	155.3	170.1	0	0	0	0	0	110.9	Y276 L315 V316	G269-Y276 VanDerWaalsContact N-CE1 3.28Å; G269-L315 CarbonylContact O-C 3.59Å; G269-L315 WeakPolarHBondContact O-CA 3.42Å; G269-V316 PolarHBondContact N-O 3.5Å; G269-V316 PolarHBondContact O-N 3.45Å
270	Q	94.2	Very high	95.2	Very high	98 Å²	98	54.4 Å²	54.4	46%	0.458	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	148.2	175.6	-65.6	-177.1	-1.2	0	0	110.7	N272 D273 L315	Q270-N272 VanDerWaalsContact CB-OD1 3.28Å; Q270-N272 WeakPolarHBondContact CB-OD1 3.32Å; Q270-N272 PolarHBondContact O-N 2.75Å; Q270-N272 PolarHBondContact OE1-OD1 2.66Å; Q270-D273 HydrophobicContact CB-CB 4.43Å; Q270-D273 WeakPolarHBondContact O-CB 3.45Å; Q270-D273 PolarHBondContact O-N 2.73Å; Q270-L315 HydrophobicContact CG-CD2 4.43Å
271	V	93.5	Very high	95.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.2	-175.8	73.8	0	0	0	0	114.5	M277 I287 L291 P311 V314 V316 I441 L445	V271-M277 WeakPolarHBondContact O-CE 3.32Å; V271-I287 HydrophobicContact CG2-CG2 3.83Å; V271-L291 HydrophobicContact CG2-CD1 3.79Å; V271-P311 HydrophobicContact CG1-CB 4Å; V271-V314 HydrophobicContact CB-CB 3.94Å; V271-V314 HydrophobicContact CB-CG1 3.79Å; V271-V314 WeakPolarHBondContact CB-O 3.48Å; V271-V314 HydrophobicContact CG1-CB 3.83Å; V271-V314 HydrophobicContact CG1-CG1 4.14Å; V271-V314 HydrophobicContact CG2-CG1 3.92Å; V271-V314 PolarHBondContact N-O 3.25Å; V271-V316 HydrophobicContact CB-CG1 4.3Å; V271-V316 HydrophobicContact CG2-CG1 3.95Å; V271-I441 HydrophobicContact CG1-CD1 3.77Å; V271-I441 HydrophobicContact CG1-CG1 3.93Å; V271-I441 HydrophobicContact CG1-CG2 4.09Å; V271-I441 HydrophobicContact CG2-CG2 3.97Å; V271-L445 WeakPolarHBondContact O-CD2 3.46Å
272	N	90	Very high	95.1	Very high	61 Å²	61	63.2 Å²	63.2	33%	0.326	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.1	174.5	64	-24.7	0	0	0	113.3	Q270 R274 P311 A444	Q270-N272 VanDerWaalsContact CB-OD1 3.28Å; Q270-N272 WeakPolarHBondContact CB-OD1 3.32Å; Q270-N272 PolarHBondContact O-N 2.75Å; Q270-N272 PolarHBondContact OE1-OD1 2.66Å; N272-R274 PolarHBondContact O-N 3.41Å; N272-P311 HydrophobicContact CB-CB 4.04Å; N272-P311 HydrophobicContact CB-CG 4.31Å; N272-A444 HydrophobicContact CB-CB 3.94Å
273	D	92.9	Very high	94.8	Very high	53 Å²	53	67 Å²	67	28%	0.283	32%	0.319	S	S	.	.			trans	-85.9	90.4	178.7	-173.3	-15.4	0	0	0	110.5	Q270 D275 Y276 M277	Q270-D273 HydrophobicContact CB-CB 4.43Å; Q270-D273 WeakPolarHBondContact O-CB 3.45Å; Q270-D273 PolarHBondContact O-N 2.73Å; D273-D275 VanDerWaalsContact C-N 3.32Å; D273-D275 PolarHBondContact O-N 3.36Å; D273-D275 PolarHBondContact OD1-N 3.39Å; D273-Y276 PolarHBondContact O-N 2.63Å; D273-Y276 WeakPolarHBondContact OD1-CB 3.26Å; D273-Y276 PolarHBondContact OD1-N 3.4Å; D273-Y276 WeakPolarHBondContact OD2-CB 3.05Å; D273-M277 PolarHBondContact O-N 3.49Å
274	R	92.8	Very high	94.5	Very high	151 Å²	151	67.6 Å²	67.6	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-65.1	-36.4	179.4	-171.5	175.6	178.3	-153.4	-3.8	112.4	N272 Y276 M277 E278 V284	N272-R274 PolarHBondContact O-N 3.41Å; R274-Y276 VanDerWaalsContact C-N 3.34Å; R274-M277 PolarHBondContact O-N 2.74Å; R274-E278 PolarHBondContact O-N 3.23Å; R274-V284 HydrophobicContact CG-CG1 4.41Å
275	D	94.3	Very high	94	Very high	105 Å²	105	69 Å²	69	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-68.2	-37	-178.5	-63.2	-16.3	0	0	0	110.9	D273 R279	D273-D275 VanDerWaalsContact C-N 3.32Å; D273-D275 PolarHBondContact O-N 3.36Å; D273-D275 PolarHBondContact OD1-N 3.39Å; D275-R279 WeakPolarHBondContact O-CB 3.33Å; D275-R279 VanDerWaalsContact O-CG 3.26Å; D275-R279 WeakPolarHBondContact O-CG 3.32Å; D275-R279 PolarHBondContact O-N 3.4Å; D275-R279 VanDerWaalsContact O-N 3.08Å; D275-R279 PolarHBondContact O-NE 3.29Å
276	Y	95.8	Very high	93.6	Very high	40 Å²	40	68.7 Å²	68.7	16%	0.157	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-47.4	169.5	178.2	-87	0	0	0	111.5	G269 D273 R274 E278 R279 N280 I282 V316	G269-Y276 VanDerWaalsContact N-CE1 3.28Å; D273-Y276 PolarHBondContact O-N 2.63Å; D273-Y276 WeakPolarHBondContact OD1-CB 3.26Å; D273-Y276 PolarHBondContact OD1-N 3.4Å; D273-Y276 WeakPolarHBondContact OD2-CB 3.05Å; R274-Y276 VanDerWaalsContact C-N 3.34Å; Y276-E278 VanDerWaalsContact C-N 3.34Å; Y276-E278 PolarHBondContact O-N 2.92Å; Y276-R279 PolarHBondContact O-N 2.92Å; Y276-N280 WeakPolarHBondContact CD2-ND2 3.42Å; Y276-N280 HydrophobicContact CE1-CB 4.31Å; Y276-N280 VanDerWaalsContact CE2-ND2 3.28Å; Y276-N280 WeakPolarHBondContact CE2-ND2 3.37Å; Y276-N280 WeakPolarHBondContact O-CB 3.14Å; Y276-N280 PolarHBondContact O-N 2.87Å; Y276-N280 PolarHBondContact O-ND2 3.41Å; Y276-I282 HydrophobicContact CE1-CD1 4.01Å; Y276-V316 HydrophobicContact CD1-CG2 4.15Å; Y276-V316 HydrophobicContact CE1-CG2 4.23Å; Y276-V316 VanDerWaalsContact CE1-O 3.28Å; Y276-V316 WeakPolarHBondContact CE1-O 3.34Å
277	M	95.5	Very high	93.5	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-41	-179.2	-68.6	-166	-147.8	0	0	112.2	V271 D273 R274 N280 K281 I282 V284 I287 V316 L445	V271-M277 WeakPolarHBondContact O-CE 3.32Å; D273-M277 PolarHBondContact O-N 3.49Å; R274-M277 PolarHBondContact O-N 2.74Å; M277-N280 CarbonylContact O-C 3.59Å; M277-N280 PolarHBondContact O-N 3.46Å; M277-K281 PolarHBondContact O-N 2.9Å; M277-I282 HydrophobicContact CB-CB 4.04Å; M277-I282 HydrophobicContact CB-CG2 4.45Å; M277-I282 HydrophobicContact CG-CB 4.2Å; M277-I282 HydrophobicContact CG-CG2 4.19Å; M277-I282 PolarHBondContact O-N 3.22Å; M277-I282 HydrophobicContact SD-CG2 4.14Å; M277-V284 HydrophobicContact CB-CG1 4.3Å; M277-V284 HydrophobicContact SD-CB 4.48Å; M277-V284 HydrophobicContact SD-CG1 3.79Å; M277-I287 HydrophobicContact CE-CG2 4.38Å; M277-I287 HydrophobicContact SD-CG1 4.04Å; M277-V316 HydrophobicContact CE-CB 4.46Å; M277-V316 HydrophobicContact CE-CG1 4.06Å; M277-V316 HydrophobicContact CE-CG2 3.7Å; M277-V316 HydrophobicContact CG-CG2 3.82Å; M277-V316 HydrophobicContact SD-CG2 4.21Å; M277-L445 HydrophobicContact CE-CD1 4.32Å; M277-L445 HydrophobicContact CE-CD2 3.58Å; M277-L445 HydrophobicContact SD-CD2 4.14Å
278	E	94.9	Very high	93.3	Very high	144 Å²	144	64.3 Å²	64.3	67%	0.673	31%	0.308	S	S	*	.	H	α-helix	trans	-62.8	-50.5	176.4	-176	167.7	-157.2	0	0	111.5	R274 Y276 N280 K281	R274-E278 PolarHBondContact O-N 3.23Å; Y276-E278 VanDerWaalsContact C-N 3.34Å; Y276-E278 PolarHBondContact O-N 2.92Å; E278-N280 PolarHBondContact O-N 3.33Å; E278-K281 PolarHBondContact O-N 3.24Å; E278-K281 VanDerWaalsContact O-N 3.11Å
279	R	96.4	Very high	92.9	Very high	176 Å²	176	67.3 Å²	67.3	66%	0.664	31%	0.31	S	S	*	.	H	α-helix	trans	-58.1	-34.1	177	-73.6	179.3	-66.9	-170.8	1.6	112.9	D275 Y276	D275-R279 WeakPolarHBondContact O-CB 3.33Å; D275-R279 VanDerWaalsContact O-CG 3.26Å; D275-R279 WeakPolarHBondContact O-CG 3.32Å; D275-R279 PolarHBondContact O-N 3.4Å; D275-R279 VanDerWaalsContact O-N 3.08Å; D275-R279 PolarHBondContact O-NE 3.29Å; Y276-R279 PolarHBondContact O-N 2.92Å
280	N	95.6	Very high	92.8	Very high	62 Å²	62	67.5 Å²	67.5	33%	0.332	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	7.9	-178.7	-69	-82.1	0	0	0	114.1	Y276 M277 E278 I282 K318	Y276-N280 WeakPolarHBondContact CD2-ND2 3.42Å; Y276-N280 HydrophobicContact CE1-CB 4.31Å; Y276-N280 VanDerWaalsContact CE2-ND2 3.28Å; Y276-N280 WeakPolarHBondContact CE2-ND2 3.37Å; Y276-N280 WeakPolarHBondContact O-CB 3.14Å; Y276-N280 PolarHBondContact O-N 2.87Å; Y276-N280 PolarHBondContact O-ND2 3.41Å; M277-N280 CarbonylContact O-C 3.59Å; M277-N280 PolarHBondContact O-N 3.46Å; E278-N280 PolarHBondContact O-N 3.33Å; N280-I282 VanDerWaalsContact C-N 3.28Å; N280-I282 HydrophobicContact CB-CD1 3.96Å; N280-I282 HydrophobicContact CB-CG1 4.15Å; N280-I282 PolarHBondContact O-N 3.22Å; N280-K318 WeakPolarHBondContact O-CE 3.09Å
281	K	95.6	Very high	92.6	Very high	177 Å²	177	63.1 Å²	63.1	77%	0.77	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	42.4	179.5	-54.1	178.1	-177.9	177.5	0	112.9	M277 E278 K318	M277-K281 PolarHBondContact O-N 2.9Å; E278-K281 PolarHBondContact O-N 3.24Å; E278-K281 VanDerWaalsContact O-N 3.11Å; K281-K318 WeakPolarHBondContact O-CE 3.28Å; K281-K318 PolarHBondContact O-NZ 2.83Å
282	I	96.3	Very high	92.4	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.046	29%	0.291	C	S	.	.			trans	-97.9	127.1	175	-61.7	169.8	0	0	0	108	Y276 M277 N280 V284 I287 V316 K318 A325	Y276-I282 HydrophobicContact CE1-CD1 4.01Å; M277-I282 HydrophobicContact CB-CB 4.04Å; M277-I282 HydrophobicContact CB-CG2 4.45Å; M277-I282 HydrophobicContact CG-CB 4.2Å; M277-I282 HydrophobicContact CG-CG2 4.19Å; M277-I282 PolarHBondContact O-N 3.22Å; M277-I282 HydrophobicContact SD-CG2 4.14Å; N280-I282 VanDerWaalsContact C-N 3.28Å; N280-I282 HydrophobicContact CB-CD1 3.96Å; N280-I282 HydrophobicContact CB-CG1 4.15Å; N280-I282 PolarHBondContact O-N 3.22Å; I282-V284 PolarHBondContact O-N 3.39Å; I282-I287 HydrophobicContact CG2-CD1 3.86Å; I282-I287 HydrophobicContact CG2-CG1 3.63Å; I282-V316 HydrophobicContact CD1-CG2 4.37Å; I282-K318 HydrophobicContact CD1-CG 4.43Å; I282-K318 HydrophobicContact CG1-CD 4.3Å; I282-K318 HydrophobicContact CG1-CG 4.01Å; I282-A325 HydrophobicContact CG2-CB 4.17Å
283	D	92.3	Very high	92.5	Very high	79 Å²	79	63.6 Å²	63.6	42%	0.422	29%	0.29	S	S	.	.			trans	-78.8	117.4	177.6	179.2	5.1	0	0	0	110.6	N285 E286 I287	D283-N285 PolarHBondContact O-N 2.99Å; D283-N285 WeakPolarHBondContact OD1-CB 3.15Å; D283-N285 PolarHBondContact OD1-N 3.47Å; D283-N285 PolarHBondContact OD1-ND2 3.44Å; D283-E286 HydrophobicContact CB-CB 3.89Å; D283-E286 WeakPolarHBondContact O-CB 3.31Å; D283-E286 PolarHBondContact O-N 2.83Å; D283-E286 VanDerWaalsContact O-N 3.07Å; D283-I287 PolarHBondContact O-N 3.12Å; D283-I287 VanDerWaalsContact O-N 3.13Å
284	V	91.3	Very high	92.5	Very high	25 Å²	25	61.1 Å²	61.1	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-33	177.6	-60.8	0	0	0	0	112.6	R274 M277 I282 I287 S288 L445 T447	R274-V284 HydrophobicContact CG-CG1 4.41Å; M277-V284 HydrophobicContact CB-CG1 4.3Å; M277-V284 HydrophobicContact SD-CB 4.48Å; M277-V284 HydrophobicContact SD-CG1 3.79Å; I282-V284 PolarHBondContact O-N 3.39Å; V284-I287 PolarHBondContact O-N 3.18Å; V284-S288 WeakPolarHBondContact O-CB 3.47Å; V284-S288 PolarHBondContact O-N 3.32Å; V284-L445 HydrophobicContact CB-CB 4.37Å; V284-L445 HydrophobicContact CB-CD2 4.32Å; V284-L445 HydrophobicContact CG1-CD2 4.07Å; V284-T447 HydrophobicContact CB-CG2 4.25Å; V284-T447 HydrophobicContact CG2-CG2 3.98Å
285	N	87.2	Confident	92.5	Very high	81 Å²	81	54 Å²	54	43%	0.433	25%	0.249	S	C	.	.	H	α-helix	trans	-72.3	-35.2	178.1	-60.6	-78.4	0	0	0	111.2	D283 R289	D283-N285 PolarHBondContact O-N 2.99Å; D283-N285 WeakPolarHBondContact OD1-CB 3.15Å; D283-N285 PolarHBondContact OD1-N 3.47Å; D283-N285 PolarHBondContact OD1-ND2 3.44Å; N285-R289 VanDerWaalsContact O-CB 3.31Å; N285-R289 WeakPolarHBondContact O-CB 3.37Å; N285-R289 PolarHBondContact O-N 3.09Å
286	E	89.6	Confident	92.4	Very high	53 Å²	53	49.1 Å²	49.1	25%	0.248	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-46.9	174.3	-171.5	-178.1	-173.7	0	0	110.6	D283 R289 H290	D283-E286 HydrophobicContact CB-CB 3.89Å; D283-E286 WeakPolarHBondContact O-CB 3.31Å; D283-E286 PolarHBondContact O-N 2.83Å; D283-E286 VanDerWaalsContact O-N 3.07Å; E286-R289 PolarHBondContact O-N 2.97Å; E286-H290 WeakPolarHBondContact O-CB 3.41Å; E286-H290 VanDerWaalsContact O-CG 3.29Å; E286-H290 PolarHBondContact O-N 2.99Å; E286-H290 IonicContact OE1-CE1 2.71Å; E286-H290 PolarHBondContact OE1-CE1 3.01Å
287	I	92.4	Very high	92.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-49.8	176.5	-63.5	-56.6	0	0	0	111.4	V271 M277 I282 D283 V284 R289 H290 L291 V316 A325 I327 L445	V271-I287 HydrophobicContact CG2-CG2 3.83Å; M277-I287 HydrophobicContact CE-CG2 4.38Å; M277-I287 HydrophobicContact SD-CG1 4.04Å; I282-I287 HydrophobicContact CG2-CD1 3.86Å; I282-I287 HydrophobicContact CG2-CG1 3.63Å; D283-I287 PolarHBondContact O-N 3.12Å; D283-I287 VanDerWaalsContact O-N 3.13Å; V284-I287 PolarHBondContact O-N 3.18Å; I287-R289 VanDerWaalsContact C-N 3.31Å; I287-R289 PolarHBondContact O-N 3.46Å; I287-H290 PolarHBondContact O-N 3.4Å; I287-H290 VanDerWaalsContact O-N 3.14Å; I287-L291 HydrophobicContact CG2-CD1 4.11Å; I287-L291 HydrophobicContact CG2-CG 4.42Å; I287-L291 WeakPolarHBondContact O-CG 3.47Å; I287-L291 PolarHBondContact O-N 3.4Å; I287-V316 HydrophobicContact CD1-CB 4.25Å; I287-V316 HydrophobicContact CD1-CG1 3.8Å; I287-V316 HydrophobicContact CG1-CG1 4.08Å; I287-V316 HydrophobicContact CG2-CG1 3.84Å; I287-A325 HydrophobicContact CD1-CB 4.03Å; I287-I327 HydrophobicContact CD1-CG1 4.05Å; I287-I327 HydrophobicContact CG2-CD1 4.42Å; I287-I327 HydrophobicContact CG2-CG1 4.5Å; I287-L445 HydrophobicContact CG2-CD1 4.38Å
288	S	89	Confident	92.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-41.8	178.4	172	0	0	0	0	111.9	V284 G292 T447	V284-S288 WeakPolarHBondContact O-CB 3.47Å; V284-S288 PolarHBondContact O-N 3.32Å; S288-G292 PolarHBondContact O-N 3.32Å; S288-T447 WeakPolarHBondContact CB-OG1 3.43Å; S288-T447 PolarHBondContact OG-OG1 3.34Å; S288-T447 VanDerWaalsContact OG-OG1 3.04Å
289	R	86.6	Confident	92.2	Very high	91 Å²	91	41.8 Å²	41.8	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-63.5	-43.4	174.2	-177.8	-178.3	59.3	70.5	3.1	112.1	N285 E286 I287 G292 K293	N285-R289 VanDerWaalsContact O-CB 3.31Å; N285-R289 WeakPolarHBondContact O-CB 3.37Å; N285-R289 PolarHBondContact O-N 3.09Å; E286-R289 PolarHBondContact O-N 2.97Å; I287-R289 VanDerWaalsContact C-N 3.31Å; I287-R289 PolarHBondContact O-N 3.46Å; R289-G292 PolarHBondContact O-N 3.49Å; R289-K293 WeakPolarHBondContact O-CB 3.46Å; R289-K293 PolarHBondContact O-N 3.41Å
290	H	91.8	Very high	92.1	Very high	11 Å²	11	33.4 Å²	33.4	5%	0.051	16%	0.159	C	C	.	.	H	α-helix	trans	-65.2	-43.7	178.8	-76.3	168.2	0	0	0	112.3	F245 E286 I287 K293 M294 I327	F245-H290 WeakPolarHBondContact CB-ND1 3.48Å; F245-H290 AromaticContact CD1-CD2 3.56Å; F245-H290 AromaticContact CD1-CE1 3.91Å; F245-H290 AromaticContact CD1-CG 3.85Å; F245-H290 AromaticContact CD1-NE2 3.63Å; F245-H290 HydrophobicContact CD2-CB 3.51Å; F245-H290 AromaticContact CD2-CG 3.55Å; F245-H290 AromaticContact CD2-ND1 3.82Å; F245-H290 AromaticContact CE1-CD2 3.74Å; F245-H290 HydrophobicContact CE2-CB 3.57Å; F245-H290 AromaticContact CE2-CG 3.91Å; F245-H290 HydrophobicContact CG-CB 4.04Å; F245-H290 AromaticContact CG-CD2 3.74Å; F245-H290 AromaticContact CG-CE1 3.71Å; F245-H290 AromaticContact CG-CG 3.51Å; F245-H290 AromaticContact CG-ND1 3.49Å; F245-H290 WeakPolarHBondContact CG-ND1 3.26Å; F245-H290 AromaticContact CG-NE2 3.89Å; F245-H290 HydrophobicContact CZ-CB 4.14Å; E286-H290 WeakPolarHBondContact O-CB 3.41Å; E286-H290 VanDerWaalsContact O-CG 3.29Å; E286-H290 PolarHBondContact O-N 2.99Å; E286-H290 IonicContact OE1-CE1 2.71Å; E286-H290 PolarHBondContact OE1-CE1 3.01Å; I287-H290 PolarHBondContact O-N 3.4Å; I287-H290 VanDerWaalsContact O-N 3.14Å; H290-K293 PolarHBondContact O-N 2.91Å; H290-M294 VanDerWaalsContact O-CB 3.31Å; H290-M294 WeakPolarHBondContact O-CB 3.39Å; H290-M294 PolarHBondContact O-N 3.4Å; H290-I327 HydrophobicContact CB-CD1 3.51Å
291	L	91.9	Very high	91.9	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-58	-51.7	172.2	-74	171.6	0	0	0	111.5	V271 I287 K293 M294 Y295 V314 I327 L438 I441	V271-L291 HydrophobicContact CG2-CD1 3.79Å; I287-L291 HydrophobicContact CG2-CD1 4.11Å; I287-L291 HydrophobicContact CG2-CG 4.42Å; I287-L291 WeakPolarHBondContact O-CG 3.47Å; I287-L291 PolarHBondContact O-N 3.4Å; L291-K293 VanDerWaalsContact C-N 3.3Å; L291-K293 PolarHBondContact O-N 2.55Å; L291-M294 HydrophobicContact CD2-CE 3.94Å; L291-M294 PolarHBondContact O-N 3.18Å; L291-Y295 HydrophobicContact CD2-CE2 4.43Å; L291-Y295 WeakPolarHBondContact O-CD2 3.47Å; L291-Y295 PolarHBondContact O-N 3.17Å; L291-V314 HydrophobicContact CD2-CG1 4.22Å; L291-I327 HydrophobicContact CD2-CD1 3.92Å; L291-I327 HydrophobicContact CD2-CG2 4.33Å; L291-I327 HydrophobicContact CG-CD1 3.82Å; L291-L438 HydrophobicContact CB-CD2 4.49Å; L291-I441 HydrophobicContact CD1-CD1 4.47Å; L291-I441 HydrophobicContact CD1-CG2 3.79Å
292	G	89.3	Confident	91.8	Very high	4 Å²	4	26.3 Å²	26.3	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-57.4	-44.1	178.9	0	0	0	0	0	111.9	S288 R289 S296	S288-G292 PolarHBondContact O-N 3.32Å; R289-G292 PolarHBondContact O-N 3.49Å; G292-S296 WeakPolarHBondContact O-CB 3.48Å; G292-S296 PolarHBondContact O-N 3.28Å; G292-S296 PolarHBondContact O-OG 3.16Å
293	K	90.3	Very high	91.8	Very high	68 Å²	68	26 Å²	26	30%	0.296	13%	0.13	S	C	.	.	H	α-helix	trans	-62.2	-47.7	176.6	-173	-178.3	-178.9	-163.8	0	112	F243 F245 R289 H290 L291 S296 E297	F243-K293 HydrophobicContact CE1-CD 4.05Å; F243-K293 HydrophobicContact CE1-CG 4.25Å; F243-K293 HydrophobicContact CZ-CD 4.35Å; F243-K293 HydrophobicContact CZ-CG 4.04Å; F245-K293 HydrophobicContact CE1-CD 4.08Å; F245-K293 HydrophobicContact CZ-CD 4.15Å; R289-K293 WeakPolarHBondContact O-CB 3.46Å; R289-K293 PolarHBondContact O-N 3.41Å; H290-K293 PolarHBondContact O-N 2.91Å; L291-K293 VanDerWaalsContact C-N 3.3Å; L291-K293 PolarHBondContact O-N 2.55Å; K293-S296 PolarHBondContact O-N 3.12Å; K293-E297 WeakPolarHBondContact O-CB 3.49Å; K293-E297 PolarHBondContact O-N 3.17Å
294	M	93.4	Very high	92	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-51	-178.8	178.6	-179.8	73.3	0	0	112.3	L240 F243 F245 L246 H290 L291 E297 M298 L329	L240-M294 HydrophobicContact CD1-CG 3.82Å; F243-M294 HydrophobicContact CE2-CB 4.49Å; F245-M294 HydrophobicContact CE2-CB 4.35Å; L246-M294 HydrophobicContact CD1-SD 3.63Å; L246-M294 HydrophobicContact CD2-CG 4.42Å; L246-M294 HydrophobicContact CD2-SD 3.91Å; L246-M294 HydrophobicContact CG-SD 4.3Å; H290-M294 VanDerWaalsContact O-CB 3.31Å; H290-M294 WeakPolarHBondContact O-CB 3.39Å; H290-M294 PolarHBondContact O-N 3.4Å; L291-M294 HydrophobicContact CD2-CE 3.94Å; L291-M294 PolarHBondContact O-N 3.18Å; M294-E297 WeakPolarHBondContact O-CB 3.21Å; M294-E297 PolarHBondContact O-N 2.86Å; M294-M298 HydrophobicContact CG-CE 3.93Å; M294-M298 WeakPolarHBondContact O-CG 3.35Å; M294-M298 PolarHBondContact O-N 2.97Å; M294-M298 VanDerWaalsContact O-N 3.09Å; M294-M298 HydrophobicContact SD-CE 4.37Å; M294-L329 HydrophobicContact CE-CD1 3.79Å; M294-L329 HydrophobicContact CE-CD2 3.87Å; M294-L329 HydrophobicContact CE-CG 4.12Å; M294-L329 HydrophobicContact SD-CD1 3.64Å; M294-L329 HydrophobicContact SD-CG 4.17Å
295	Y	93.1	Very high	92.2	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-69.2	-34.6	179.6	-84.5	-84.5	0	0	0	112.5	L291 E297 M298 I299 H306 P309 T434 L438	L291-Y295 HydrophobicContact CD2-CE2 4.43Å; L291-Y295 WeakPolarHBondContact O-CD2 3.47Å; L291-Y295 PolarHBondContact O-N 3.17Å; Y295-E297 VanDerWaalsContact C-N 3.32Å; Y295-E297 PolarHBondContact O-N 3.47Å; Y295-M298 HydrophobicContact CD1-SD 4.39Å; Y295-M298 HydrophobicContact CE1-SD 4.36Å; Y295-M298 PolarHBondContact O-N 3.38Å; Y295-I299 WeakPolarHBondContact O-CB 3.42Å; Y295-I299 WeakPolarHBondContact O-CD1 3.41Å; Y295-I299 VanDerWaalsContact O-CG1 3.26Å; Y295-I299 WeakPolarHBondContact O-CG1 3.49Å; Y295-I299 PolarHBondContact O-N 3.03Å; Y295-H306 HydrophobicContact CE1-CB 4.06Å; Y295-H306 WeakPolarHBondContact CE1-O 3.19Å; Y295-H306 PolarHBondContact OH-CD2 2.86Å; Y295-P309 HydrophobicContact CE1-CB 4.28Å; Y295-P309 HydrophobicContact CE1-CG 3.97Å; Y295-P309 HydrophobicContact CE2-CB 3.99Å; Y295-P309 HydrophobicContact CE2-CG 4.42Å; Y295-P309 VanDerWaalsContact OH-CB 3.26Å; Y295-P309 WeakPolarHBondContact OH-CB 3.46Å; Y295-T434 HydrophobicContact CD1-CG2 3.56Å; Y295-T434 HydrophobicContact CE1-CG2 3.68Å; Y295-L438 HydrophobicContact CD1-CD1 4.11Å; Y295-L438 HydrophobicContact CD2-CD1 4Å; Y295-L438 HydrophobicContact CD2-CD2 3.59Å; Y295-L438 HydrophobicContact CD2-CG 4.36Å; Y295-L438 HydrophobicContact CE2-CD2 3.81Å; Y295-L438 HydrophobicContact CG-CD1 3.65Å; Y295-L438 HydrophobicContact CG-CD2 4.12Å; Y295-L438 HydrophobicContact CG-CG 4.42Å
296	S	91.8	Very high	92.6	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-39.7	173.2	-61.5	0	0	0	0	112.1	G292 K293 I299 F300 M457 C460	G292-S296 WeakPolarHBondContact O-CB 3.48Å; G292-S296 PolarHBondContact O-N 3.28Å; G292-S296 PolarHBondContact O-OG 3.16Å; K293-S296 PolarHBondContact O-N 3.12Å; S296-I299 PolarHBondContact O-N 2.89Å; S296-F300 WeakPolarHBondContact O-CB 3.31Å; S296-F300 WeakPolarHBondContact O-CD2 3.44Å; S296-F300 PolarHBondContact O-N 3.19Å; S296-M457 VanDerWaalsContact OG-CA 3.31Å; S296-M457 WeakPolarHBondContact OG-CA 3.39Å; S296-M457 VanDerWaalsContact OG-CG 3.23Å; S296-M457 WeakPolarHBondContact OG-CG 3.15Å; S296-M457 PolarHBondContact OG-N 3.36Å; S296-C460 VanDerWaalsContact CB-SG 3.54Å
297	E	93.4	Very high	92.7	Very high	30 Å²	30	15.2 Å²	15.2	14%	0.14	7%	0.072	C	C	.	.	I	π-helix	trans	-63.5	-46.3	175.3	-166	71.4	-170.8	0	0	111.3	L240 H242 F243 K293 M294 Y295 I299 V301 N302	L240-E297 HydrophobicContact CD2-CB 4.19Å; L240-E297 HydrophobicContact CD2-CG 3.68Å; H242-E297 IonicContact NE2-OE1 3.09Å; F243-E297 HydrophobicContact CE2-CB 3.82Å; F243-E297 HydrophobicContact CE2-CG 3.96Å; F243-E297 HydrophobicContact CZ-CB 3.83Å; F243-E297 HydrophobicContact CZ-CG 3.79Å; K293-E297 WeakPolarHBondContact O-CB 3.49Å; K293-E297 PolarHBondContact O-N 3.17Å; M294-E297 WeakPolarHBondContact O-CB 3.21Å; M294-E297 PolarHBondContact O-N 2.86Å; Y295-E297 VanDerWaalsContact C-N 3.32Å; Y295-E297 PolarHBondContact O-N 3.47Å; E297-I299 PolarHBondContact O-N 3.05Å; E297-V301 HydrophobicContact CG-CB 4.39Å; E297-V301 WeakPolarHBondContact O-CB 3.44Å; E297-V301 PolarHBondContact O-N 3.04Å; E297-V301 VanDerWaalsContact O-N 3.12Å; E297-V301 WeakPolarHBondContact OE1-CG1 3.4Å; E297-N302 PolarHBondContact O-N 3.36Å; E297-N302 PolarHBondContact O-ND2 2.88Å
298	M	95.5	Very high	92.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	I	π-helix	trans	-57.6	-46	176	-71.9	-174.8	-172.7	0	0	112.3	V236 M239 L240 M294 Y295 G303 F304 H306 L329	V236-M298 HydrophobicContact CG1-CE 3.72Å; M239-M298 HydrophobicContact CE-CG 3.9Å; L240-M298 HydrophobicContact CD1-CE 3.41Å; L240-M298 VanDerWaalsContact CD1-CE 3.41Å; L240-M298 HydrophobicContact CD1-CG 4.03Å; M294-M298 HydrophobicContact CG-CE 3.93Å; M294-M298 WeakPolarHBondContact O-CG 3.35Å; M294-M298 PolarHBondContact O-N 2.97Å; M294-M298 VanDerWaalsContact O-N 3.09Å; M294-M298 HydrophobicContact SD-CE 4.37Å; Y295-M298 HydrophobicContact CD1-SD 4.39Å; Y295-M298 HydrophobicContact CE1-SD 4.36Å; Y295-M298 PolarHBondContact O-N 3.38Å; M298-G303 WeakPolarHBondContact O-CA 3.36Å; M298-G303 PolarHBondContact O-N 2.9Å; M298-F304 WeakPolarHBondContact CB-O 3.4Å; M298-F304 PolarHBondContact O-N 2.93Å; M298-H306 HydrophobicContact SD-CB 3.96Å; M298-L329 HydrophobicContact CE-CD1 4.06Å
299	I	93.9	Very high	92.3	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	7%	0.074	C	C	.	.	I	π-helix	trans	-75.5	-58.4	-175.9	-65.6	164.9	0	0	0	111.5	Y295 S296 E297 V305 L338 R343 Y346 I431	Y295-I299 WeakPolarHBondContact O-CB 3.42Å; Y295-I299 WeakPolarHBondContact O-CD1 3.41Å; Y295-I299 VanDerWaalsContact O-CG1 3.26Å; Y295-I299 WeakPolarHBondContact O-CG1 3.49Å; Y295-I299 PolarHBondContact O-N 3.03Å; S296-I299 PolarHBondContact O-N 2.89Å; E297-I299 PolarHBondContact O-N 3.05Å; I299-V305 HydrophobicContact CB-CG2 4.33Å; I299-V305 HydrophobicContact CD1-CG1 4.41Å; I299-V305 HydrophobicContact CG1-CB 4.43Å; I299-V305 HydrophobicContact CG1-CG1 3.68Å; I299-V305 HydrophobicContact CG1-CG2 3.8Å; I299-L338 HydrophobicContact CG2-CD1 4.32Å; I299-R343 WeakPolarHBondContact O-CD 3.37Å; I299-R343 WeakPolarHBondContact O-CG 3.44Å; I299-Y346 HydrophobicContact CG2-CD1 3.86Å; I299-Y346 HydrophobicContact CG2-CE1 3.62Å; I299-I431 HydrophobicContact CG2-CD1 4.41Å
300	F	93.8	Very high	92.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-86.6	-34.1	-166.8	-62.8	-70.2	0	0	0	113.3	S296 R343 Y346 C347 W350 M457 C460 C461 A464	S296-F300 WeakPolarHBondContact O-CB 3.31Å; S296-F300 WeakPolarHBondContact O-CD2 3.44Å; S296-F300 PolarHBondContact O-N 3.19Å; F300-R343 WeakPolarHBondContact O-CD 3.36Å; F300-Y346 HydrophobicContact CD1-CD1 4.05Å; F300-Y346 HydrophobicContact CD1-CE1 4.4Å; F300-Y346 AromaticContact CE1-CD1 3.41Å; F300-Y346 HydrophobicContact CE1-CD1 3.41Å; F300-Y346 VanDerWaalsContact CE1-CD1 3.41Å; F300-Y346 AromaticContact CE1-CE1 3.5Å; F300-Y346 HydrophobicContact CE1-CE1 3.5Å; F300-Y346 VanDerWaalsContact CE1-CE1 3.5Å; F300-Y346 HydrophobicContact CZ-CD1 4.08Å; F300-Y346 AromaticContact CZ-CE1 3.65Å; F300-Y346 HydrophobicContact CZ-CE1 3.65Å; F300-C347 VanDerWaalsContact CD1-SG 3.58Å; F300-W350 HydrophobicContact CE1-CB 4.22Å; F300-W350 AromaticContact CE1-CD1 3.7Å; F300-W350 AromaticContact CE1-CG 3.9Å; F300-W350 HydrophobicContact CE1-CG 3.9Å; F300-W350 HydrophobicContact CZ-CB 4.38Å; F300-W350 AromaticContact CZ-CD1 3.7Å; F300-W350 HydrophobicContact CZ-CD2 4.01Å; F300-W350 AromaticContact CZ-CG 3.76Å; F300-W350 HydrophobicContact CZ-CG 3.76Å; F300-W350 AromaticContact CZ-NE1 3.95Å; F300-M457 HydrophobicContact CE2-CB 3.74Å; F300-M457 HydrophobicContact CE2-CE 3.78Å; F300-M457 HydrophobicContact CE2-CG 4Å; F300-M457 HydrophobicContact CZ-CB 4.26Å; F300-M457 HydrophobicContact CZ-CE 3.83Å; F300-C460 HydrophobicContact CB-CB 4.4Å; F300-C460 HydrophobicContact CD2-CB 4.16Å; F300-C461 HydrophobicContact CD1-CB 4.07Å; F300-C461 HydrophobicContact CE1-CB 4.13Å; F300-C461 HydrophobicContact CG-CB 4.27Å; F300-C461 HydrophobicContact CZ-CB 4.44Å; F300-A464 HydrophobicContact CB-CB 4.15Å; F300-A464 WeakPolarHBondContact O-CB 3.49Å
301	V	92.1	Very high	91.9	Very high	29 Å²	29	13.3 Å²	13.3	18%	0.176	7%	0.069	C	C	.	.	I	π-helix	trans	-97.2	-42.8	-172.1	-177.1	0	0	0	0	112	E297 R343 A464	E297-V301 HydrophobicContact CG-CB 4.39Å; E297-V301 WeakPolarHBondContact O-CB 3.44Å; E297-V301 PolarHBondContact O-N 3.04Å; E297-V301 VanDerWaalsContact O-N 3.12Å; E297-V301 WeakPolarHBondContact OE1-CG1 3.4Å; V301-R343 VanDerWaalsContact C-NH1 3.27Å; V301-R343 PolarHBondContact O-NH1 3.46Å; V301-A464 HydrophobicContact CG2-CB 4.29Å
302	N	94.1	Very high	91.6	Very high	60 Å²	60	14.4 Å²	14.4	32%	0.321	8%	0.082	S	C	.	.	I	π-helix	trans	-100.4	-35	-173.8	-64.2	-44	0	0	0	113.4	M239 E297 F304	M239-N302 HydrophobicContact CE-CB 4.38Å; M239-N302 HydrophobicContact CG-CB 4.24Å; M239-N302 VanDerWaalsContact CG-ND2 3.34Å; M239-N302 WeakPolarHBondContact CG-ND2 3.38Å; M239-N302 HydrophobicContact SD-CB 3.43Å; M239-N302 WeakPolarHBondContact SD-CB 3.34Å; M239-N302 PolarHBondContact SD-ND2 3.47Å; M239-N302 VanDerWaalsContact SD-ND2 3.45Å; E297-N302 PolarHBondContact O-N 3.36Å; E297-N302 PolarHBondContact O-ND2 2.88Å; N302-F304 VanDerWaalsContact C-N 3.26Å
303	G	95	Very high	91.7	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.031	9%	0.087	C	C	.	.			trans	68.9	24.9	-172.4	0	0	0	0	0	113.1	M298 V337 L338	M298-G303 WeakPolarHBondContact O-CA 3.36Å; M298-G303 PolarHBondContact O-N 2.9Å; G303-V337 CarbonylContact O-C 3.55Å; G303-V337 WeakPolarHBondContact O-CA 3.36Å; G303-L338 PolarHBondContact O-N 3.33Å
304	F	97	Very high	91.9	Very high	12 Å²	12	12.3 Å²	12.3	5%	0.053	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	101.4	173.2	-175.2	-115.7	0	0	0	108.1	N232 K235 V236 M239 M298 N302 Y335 V337	N232-F304 HydrophobicContact CB-CZ 4.37Å; N232-F304 WeakPolarHBondContact OD1-CZ 3.44Å; K235-F304 HydrophobicContact CB-CE1 4.28Å; K235-F304 HydrophobicContact CD-CD1 3.98Å; K235-F304 HydrophobicContact CD-CE1 3.6Å; K235-F304 HydrophobicContact CD-CE2 4.26Å; K235-F304 HydrophobicContact CD-CG 4.46Å; K235-F304 HydrophobicContact CD-CZ 3.76Å; K235-F304 HydrophobicContact CG-CD1 4.2Å; K235-F304 HydrophobicContact CG-CE1 3.91Å; V236-F304 HydrophobicContact CG2-CD1 3.93Å; V236-F304 HydrophobicContact CG2-CE1 3.67Å; M239-F304 HydrophobicContact CE-CD1 4.23Å; M239-F304 HydrophobicContact SD-CB 4.1Å; M239-F304 HydrophobicContact SD-CD1 4.25Å; M298-F304 WeakPolarHBondContact CB-O 3.4Å; M298-F304 PolarHBondContact O-N 2.93Å; N302-F304 VanDerWaalsContact C-N 3.26Å; F304-Y335 AromaticContact CD1-CD1 3.79Å; F304-Y335 HydrophobicContact CD1-CD1 3.79Å; F304-Y335 AromaticContact CD1-CE1 3.9Å; F304-Y335 HydrophobicContact CD1-CE1 3.9Å; F304-Y335 HydrophobicContact CD2-CD1 4.13Å; F304-Y335 AromaticContact CE1-CD1 3.33Å; F304-Y335 HydrophobicContact CE1-CD1 3.33Å; F304-Y335 AromaticContact CE1-CE1 3.49Å; F304-Y335 HydrophobicContact CE1-CE1 3.49Å; F304-Y335 VanDerWaalsContact CE1-CE1 3.49Å; F304-Y335 HydrophobicContact CE1-CG 4.08Å; F304-Y335 AromaticContact CE2-CD1 3.72Å; F304-Y335 HydrophobicContact CE2-CD1 3.72Å; F304-Y335 HydrophobicContact CE2-CG 4.01Å; F304-Y335 HydrophobicContact CG-CD1 4.17Å; F304-Y335 AromaticContact CZ-CD1 3.29Å; F304-Y335 HydrophobicContact CZ-CD1 3.29Å; F304-Y335 HydrophobicContact CZ-CD2 4.44Å; F304-Y335 AromaticContact CZ-CE1 3.92Å; F304-Y335 HydrophobicContact CZ-CE1 3.92Å; F304-Y335 AromaticContact CZ-CG 3.61Å; F304-Y335 HydrophobicContact CZ-CG 3.61Å; F304-V337 HydrophobicContact CD2-CG2 3.83Å; F304-V337 HydrophobicContact CE2-CG2 4.13Å
305	V	95.7	Very high	92	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	-161.2	-171.1	0	0	0	0	110	I299 C307 Y335 Q336 L338	I299-V305 HydrophobicContact CB-CG2 4.33Å; I299-V305 HydrophobicContact CD1-CG1 4.41Å; I299-V305 HydrophobicContact CG1-CB 4.43Å; I299-V305 HydrophobicContact CG1-CG1 3.68Å; I299-V305 HydrophobicContact CG1-CG2 3.8Å; V305-C307 PolarHBondContact O-SG 3.15Å; V305-C307 VanDerWaalsContact O-SG 3.4Å; V305-Y335 VanDerWaalsContact C-CD1 3.46Å; V305-Y335 CarbonylContact O-C 3.56Å; V305-Y335 VanDerWaalsContact O-CA 3.26Å; V305-Y335 WeakPolarHBondContact O-CA 3.46Å; V305-Y335 VanDerWaalsContact O-CD1 3.28Å; V305-Y335 WeakPolarHBondContact O-CD1 3.43Å; V305-Q336 PolarHBondContact N-O 2.87Å; V305-Q336 PolarHBondContact O-N 3.19Å; V305-L338 HydrophobicContact CG2-CD1 3.81Å; V305-L338 HydrophobicContact CG2-CD2 4.43Å; V305-L338 HydrophobicContact CG2-CG 3.94Å
306	H	95.1	Very high	92.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	127.1	165.6	-176.8	7.1	0	0	0	108.6	Y295 M298 D308 D331 L334 Y335	Y295-H306 HydrophobicContact CE1-CB 4.06Å; Y295-H306 WeakPolarHBondContact CE1-O 3.19Å; Y295-H306 PolarHBondContact OH-CD2 2.86Å; M298-H306 HydrophobicContact SD-CB 3.96Å; H306-D308 PolarHBondContact CE1-O 3.37Å; H306-D308 PolarHBondContact ND1-N 3Å; H306-D331 PolarHBondContact CE1-O 3.38Å; H306-D331 PolarHBondContact NE2-O 3.5Å; H306-D331 VanDerWaalsContact NE2-O 3.14Å; H306-L334 PolarHBondContact ND1-O 3.14Å; H306-Y335 HydrophobicContact CB-CD1 4.37Å; H306-Y335 HydrophobicContact CB-CE1 3.69Å; H306-Y335 HydrophobicContact CB-CE2 4.22Å; H306-Y335 AromaticContact CG-CZ 3.95Å
307	C	91	Very high	92.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.081	C	C	.	.			trans	-112.5	21.4	-173.8	-57.5	0	0	0	0	114.4	V305 L334 L430 K433 T434	V305-C307 PolarHBondContact O-SG 3.15Å; V305-C307 VanDerWaalsContact O-SG 3.4Å; C307-L334 HydrophobicContact CB-CD2 4.16Å; C307-L334 HydrophobicContact CB-CG 4.05Å; C307-L334 PolarHBondContact N-O 2.65Å; C307-L430 HydrophobicContact CB-CB 3.9Å; C307-L430 HydrophobicContact CB-CD1 4.29Å; C307-L430 HydrophobicContact CB-CD2 4.19Å; C307-L430 HydrophobicContact CB-CG 4.37Å; C307-K433 PolarHBondContact O-NZ 3.32Å; C307-K433 VanDerWaalsContact O-NZ 3.12Å; C307-T434 WeakPolarHBondContact CA-OG1 3.4Å
308	D	87.8	Confident	92.5	Very high	9 Å²	9	16.2 Å²	16.2	5%	0.048	9%	0.089	C	C	.	.			trans	-143.3	57.6	176.1	-148.8	20.7	0	0	0	114.2	K95 H306 H310 N313 L334 K433	K95-D308 IonicContact NZ-OD2 2.84Å; K95-D308 PolarHBondContact NZ-OD2 3.14Å; H306-D308 PolarHBondContact CE1-O 3.37Å; H306-D308 PolarHBondContact ND1-N 3Å; D308-H310 PolarHBondContact O-N 3.4Å; D308-N313 PolarHBondContact O-ND2 3.45Å; D308-L334 HydrophobicContact CB-CB 4.18Å; D308-L334 HydrophobicContact CB-CD2 4.16Å; D308-K433 VanDerWaalsContact CG-NZ 3.31Å; D308-K433 IonicContact OD1-NZ 3.66Å; D308-K433 PolarHBondContact OD1-NZ 3.06Å; D308-K433 IonicContact OD2-NZ 2.74Å
309	P	86.8	Confident	92.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.			trans	-67.4	41.9	169.5	22.2	-26.5	0	0	0	113.5	Y295 T434 L437 L438 I441	Y295-P309 HydrophobicContact CE1-CB 4.28Å; Y295-P309 HydrophobicContact CE1-CG 3.97Å; Y295-P309 HydrophobicContact CE2-CB 3.99Å; Y295-P309 HydrophobicContact CE2-CG 4.42Å; Y295-P309 VanDerWaalsContact OH-CB 3.26Å; Y295-P309 WeakPolarHBondContact OH-CB 3.46Å; P309-T434 HydrophobicContact CG-CG2 4.02Å; P309-L437 HydrophobicContact CG-CB 3.82Å; P309-L437 HydrophobicContact CG-CD1 4.14Å; P309-L438 HydrophobicContact CB-CD2 4.19Å; P309-L438 HydrophobicContact CG-CD2 4.23Å; P309-L438 HydrophobicContact CG-CG 4.23Å; P309-I441 WeakPolarHBondContact O-CD1 3.43Å
310	H	84	Confident	92.3	Very high	36 Å²	36	24.3 Å²	24.3	17%	0.167	14%	0.136	C	C	.	.			trans	-59.3	139.1	174	-178.8	-94.6	0	0	0	109.3	H119 D308 G312 N313	H119-H310 WeakPolarHBondContact CB-NE2 3.4Å; H119-H310 AromaticContact CE1-CD2 3.62Å; H119-H310 AromaticContact CG-CD2 3.54Å; H119-H310 AromaticContact CG-CE1 3.98Å; H119-H310 AromaticContact CG-NE2 3.31Å; H119-H310 VanDerWaalsContact CG-NE2 3.31Å; H119-H310 AromaticContact ND1-CD2 3.16Å; H119-H310 PolarHBondContact ND1-CD2 3.42Å; H119-H310 AromaticContact ND1-CE1 3.99Å; H119-H310 AromaticContact ND1-CG 3.68Å; H119-H310 AromaticContact ND1-NE2 3.43Å; H119-H310 PolarHBondContact ND1-NE2 2.97Å; D308-H310 PolarHBondContact O-N 3.4Å; H310-G312 PolarHBondContact ND1-N 2.94Å; H310-G312 VanDerWaalsContact ND1-N 3.16Å; H310-G312 PolarHBondContact O-N 3.43Å; H310-N313 WeakPolarHBondContact O-CB 3.41Å; H310-N313 PolarHBondContact O-N 2.99Å
311	P	85.6	Confident	92.1	Very high	18 Å²	18	27.5 Å²	27.5	12%	0.117	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-53.7	-27.7	-175.9	-30.5	34.8	0	0	0	115.9	V271 N272 N313 V314 I441	V271-P311 HydrophobicContact CG1-CB 4Å; N272-P311 HydrophobicContact CB-CB 4.04Å; N272-P311 HydrophobicContact CB-CG 4.31Å; P311-N313 VanDerWaalsContact C-N 3.25Å; P311-N313 PolarHBondContact O-N 3.47Å; P311-V314 PolarHBondContact O-N 2.88Å; P311-V314 VanDerWaalsContact O-O 3.09Å; P311-I441 HydrophobicContact CG-CG1 4.07Å
312	G	85.2	Confident	92.1	Very high	29 Å²	29	30.3 Å²	30.3	30%	0.299	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-67.8	-19.2	173.8	0	0	0	0	0	115.1	H310	H310-G312 PolarHBondContact ND1-N 2.94Å; H310-G312 VanDerWaalsContact ND1-N 3.16Å; H310-G312 PolarHBondContact O-N 3.43Å
313	N	90.5	Very high	92	Very high	27 Å²	27	29.5 Å²	29.5	14%	0.144	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-97	-1.8	-179	-64.1	-14	0	0	0	112.9	D308 H310 P311 L330 D331	D308-N313 PolarHBondContact O-ND2 3.45Å; H310-N313 WeakPolarHBondContact O-CB 3.41Å; H310-N313 PolarHBondContact O-N 2.99Å; P311-N313 VanDerWaalsContact C-N 3.25Å; P311-N313 PolarHBondContact O-N 3.47Å; N313-L330 PolarHBondContact O-N 3.34Å; N313-D331 HydrophobicContact CB-CB 3.8Å; N313-D331 WeakPolarHBondContact ND2-CB 3.45Å
314	V	94.3	Very high	92	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	114.2	-175.1	-172.4	0	0	0	0	108.9	V271 L291 P311 I327 V328 L329	V271-V314 HydrophobicContact CB-CB 3.94Å; V271-V314 HydrophobicContact CB-CG1 3.79Å; V271-V314 WeakPolarHBondContact CB-O 3.48Å; V271-V314 HydrophobicContact CG1-CB 3.83Å; V271-V314 HydrophobicContact CG1-CG1 4.14Å; V271-V314 HydrophobicContact CG2-CG1 3.92Å; V271-V314 PolarHBondContact N-O 3.25Å; L291-V314 HydrophobicContact CD2-CG1 4.22Å; P311-V314 PolarHBondContact O-N 2.88Å; P311-V314 VanDerWaalsContact O-O 3.09Å; V314-I327 HydrophobicContact CG1-CG2 3.72Å; V314-V328 WeakPolarHBondContact CA-O 3.46Å; V314-L329 HydrophobicContact CG1-CD2 4.25Å; V314-L329 HydrophobicContact CG2-CD2 3.85Å
315	L	96.1	Very high	91.9	Very high	22 Å²	22	34.4 Å²	34.4	12%	0.115	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	157.8	171.9	-50	178.1	0	0	0	111.1	G269 Q270 I327 V328 L330	G269-L315 CarbonylContact O-C 3.59Å; G269-L315 WeakPolarHBondContact O-CA 3.42Å; Q270-L315 HydrophobicContact CG-CD2 4.43Å; L315-I327 WeakPolarHBondContact O-CA 3.37Å; L315-V328 HydrophobicContact CB-CB 4.04Å; L315-V328 HydrophobicContact CB-CG2 4.32Å; L315-V328 PolarHBondContact N-O 2.78Å; L315-V328 PolarHBondContact O-N 2.9Å; L315-L330 HydrophobicContact CD1-CD1 3.85Å; L315-L330 HydrophobicContact CD1-CD2 4.28Å; L315-L330 HydrophobicContact CD1-CG 4.39Å; L315-L330 HydrophobicContact CD2-CD1 4.24Å; L315-L330 HydrophobicContact CG-CD1 3.73Å; L315-L330 HydrophobicContact CG-CG 4.24Å
316	V	97.5	Very high	92	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.7	168.6	-62.5	0	0	0	0	109.7	G268 G269 V271 Y276 M277 I282 I287 E326	G268-V316 WeakPolarHBondContact CA-O 3.49Å; G269-V316 PolarHBondContact N-O 3.5Å; G269-V316 PolarHBondContact O-N 3.45Å; V271-V316 HydrophobicContact CB-CG1 4.3Å; V271-V316 HydrophobicContact CG2-CG1 3.95Å; Y276-V316 HydrophobicContact CD1-CG2 4.15Å; Y276-V316 HydrophobicContact CE1-CG2 4.23Å; Y276-V316 VanDerWaalsContact CE1-O 3.28Å; Y276-V316 WeakPolarHBondContact CE1-O 3.34Å; M277-V316 HydrophobicContact CE-CB 4.46Å; M277-V316 HydrophobicContact CE-CG1 4.06Å; M277-V316 HydrophobicContact CE-CG2 3.7Å; M277-V316 HydrophobicContact CG-CG2 3.82Å; M277-V316 HydrophobicContact SD-CG2 4.21Å; I282-V316 HydrophobicContact CD1-CG2 4.37Å; I287-V316 HydrophobicContact CD1-CB 4.25Å; I287-V316 HydrophobicContact CD1-CG1 3.8Å; I287-V316 HydrophobicContact CG1-CG1 4.08Å; I287-V316 HydrophobicContact CG2-CG1 3.84Å; V316-E326 WeakPolarHBondContact CA-O 3.42Å
317	R	96.4	Very high	92.1	Very high	22 Å²	22	34.8 Å²	34.8	8%	0.083	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	178.8	171.9	67.6	167.2	179	-164.5	-1.4	111.5	D267 E326 V328	D267-R317 WeakPolarHBondContact O-CD 3.47Å; D267-R317 IonicContact OD1-NH1 3.63Å; D267-R317 PolarHBondContact OD1-NH1 3.07Å; R317-E326 HydrophobicContact CG-CB 4.32Å; R317-E326 IonicContact CZ-OE2 2.78Å; R317-E326 VanDerWaalsContact CZ-OE2 3.23Å; R317-E326 PolarHBondContact N-O 3.48Å; R317-E326 IonicContact NE-OE2 3.27Å; R317-E326 PolarHBondContact NE-OE2 3.13Å; R317-E326 IonicContact NH2-OE2 3.23Å; R317-E326 PolarHBondContact NH2-OE2 3.38Å; R317-E326 PolarHBondContact O-N 3.39Å; R317-V328 HydrophobicContact CG-CG2 4.45Å
318	K	95.8	Very high	92.4	Very high	73 Å²	73	34.8 Å²	34.8	32%	0.317	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.9	162.8	-72.2	-80	-178.8	179	0	108.6	N280 K281 I282 P320 G323 K324	N280-K318 WeakPolarHBondContact O-CE 3.09Å; K281-K318 WeakPolarHBondContact O-CE 3.28Å; K281-K318 PolarHBondContact O-NZ 2.83Å; I282-K318 HydrophobicContact CD1-CG 4.43Å; I282-K318 HydrophobicContact CG1-CD 4.3Å; I282-K318 HydrophobicContact CG1-CG 4.01Å; K318-P320 WeakPolarHBondContact O-CD 3.36Å; K318-G323 WeakPolarHBondContact CD-O 3.5Å; K318-G323 PolarHBondContact NZ-O 3.33Å; K318-K324 CarbonylContact C-O 3.59Å; K318-K324 WeakPolarHBondContact CA-O 3.43Å
319	H	94.3	Very high	92.8	Very high	65 Å²	65	34.4 Å²	34.4	30%	0.301	21%	0.212	S	C	.	.			trans	-60.5	123.4	177	178.9	-75.7	0	0	0	109.8	G321 T322 G323 K324 E326	H319-G321 VanDerWaalsContact C-N 3.27Å; H319-G321 PolarHBondContact ND1-N 3.13Å; H319-G321 PolarHBondContact O-N 3.3Å; H319-G321 VanDerWaalsContact O-N 3.11Å; H319-T322 WeakPolarHBondContact CB-OG1 3.15Å; H319-T322 PolarHBondContact ND1-N 3.23Å; H319-T322 PolarHBondContact ND1-OG1 3.15Å; H319-T322 PolarHBondContact O-N 2.91Å; H319-T322 VanDerWaalsContact O-N 3.15Å; H319-G323 PolarHBondContact O-N 3.19Å; H319-K324 PolarHBondContact N-O 3.07Å; H319-E326 HydrophobicContact CB-CB 4.32Å; H319-E326 IonicContact CD2-OE1 3.44Å; H319-E326 PolarHBondContact CD2-OE1 3.33Å; H319-E326 IonicContact CD2-OE2 3.81Å
320	P	89.4	Confident	93.2	Very high	105 Å²	105	36.6 Å²	36.6	68%	0.682	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.2	-170.6	-28.7	34.7	0	0	0	114.9	K318	K318-P320 WeakPolarHBondContact O-CD 3.36Å
321	G	90.1	Very high	93.5	Very high	68 Å²	68	35.8 Å²	35.8	70%	0.701	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-20.7	-179	0	0	0	0	0	116	H319	H319-G321 VanDerWaalsContact C-N 3.27Å; H319-G321 PolarHBondContact ND1-N 3.13Å; H319-G321 PolarHBondContact O-N 3.3Å; H319-G321 VanDerWaalsContact O-N 3.11Å
322	T	92.7	Very high	94	Very high	88 Å²	88	35 Å²	35	54%	0.54	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-18.2	-170.6	65.5	0	0	0	0	113.3	H319 K324	H319-T322 WeakPolarHBondContact CB-OG1 3.15Å; H319-T322 PolarHBondContact ND1-N 3.23Å; H319-T322 PolarHBondContact ND1-OG1 3.15Å; H319-T322 PolarHBondContact O-N 2.91Å; H319-T322 VanDerWaalsContact O-N 3.15Å; T322-K324 PolarHBondContact O-N 3.06Å; T322-K324 PolarHBondContact OG1-N 3.09Å
323	G	92.5	Very high	94.3	Very high	42 Å²	42	33.8 Å²	33.8	43%	0.433	20%	0.203	S	C	.	.			trans	67.5	8.5	-175.2	0	0	0	0	0	114.4	K318 H319	K318-G323 WeakPolarHBondContact CD-O 3.5Å; K318-G323 PolarHBondContact NZ-O 3.33Å; H319-G323 PolarHBondContact O-N 3.19Å
324	K	94.3	Very high	94.3	Very high	117 Å²	117	32.6 Å²	32.6	51%	0.509	20%	0.197	S	C	.	.			trans	-79.5	154.4	174.3	-65.7	-174.6	179.4	-179.4	0	110.8	D244 K318 H319 T322	D244-K324 IonicContact OD2-NZ 3.99Å; D244-K324 PolarHBondContact OD2-NZ 3.48Å; K318-K324 CarbonylContact C-O 3.59Å; K318-K324 WeakPolarHBondContact CA-O 3.43Å; H319-K324 PolarHBondContact N-O 3.07Å; T322-K324 PolarHBondContact O-N 3.06Å; T322-K324 PolarHBondContact OG1-N 3.09Å
325	A	95.4	Very high	94.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.8	173	0	0	0	0	0	110.2	I282 I287	I282-A325 HydrophobicContact CG2-CB 4.17Å; I287-A325 HydrophobicContact CD1-CB 4.03Å
326	E	96.6	Very high	94.2	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.6	-179.7	-175.4	177.4	-124.6	0	0	109.4	F245 K247 V316 R317 H319	F245-E326 CarbonylContact O-C 3.26Å; F245-E326 WeakPolarHBondContact O-CA 3.28Å; K247-E326 HydrophobicContact CB-CG 3.91Å; K247-E326 WeakPolarHBondContact CB-OE1 3.29Å; V316-E326 WeakPolarHBondContact CA-O 3.42Å; R317-E326 HydrophobicContact CG-CB 4.32Å; R317-E326 IonicContact CZ-OE2 2.78Å; R317-E326 VanDerWaalsContact CZ-OE2 3.23Å; R317-E326 PolarHBondContact N-O 3.48Å; R317-E326 IonicContact NE-OE2 3.27Å; R317-E326 PolarHBondContact NE-OE2 3.13Å; R317-E326 IonicContact NH2-OE2 3.23Å; R317-E326 PolarHBondContact NH2-OE2 3.38Å; R317-E326 PolarHBondContact O-N 3.39Å; H319-E326 HydrophobicContact CB-CB 4.32Å; H319-E326 IonicContact CD2-OE1 3.44Å; H319-E326 PolarHBondContact CD2-OE1 3.33Å; H319-E326 IonicContact CD2-OE2 3.81Å
327	I	97.6	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.9	171	-66.3	170	0	0	0	107.7	F245 K247 I287 H290 L291 V314 L315 L329	F245-I327 HydrophobicContact CD2-CD1 4.4Å; F245-I327 PolarHBondContact O-N 3.07Å; K247-I327 PolarHBondContact N-O 3.19Å; I287-I327 HydrophobicContact CD1-CG1 4.05Å; I287-I327 HydrophobicContact CG2-CD1 4.42Å; I287-I327 HydrophobicContact CG2-CG1 4.5Å; H290-I327 HydrophobicContact CB-CD1 3.51Å; L291-I327 HydrophobicContact CD2-CD1 3.92Å; L291-I327 HydrophobicContact CD2-CG2 4.33Å; L291-I327 HydrophobicContact CG-CD1 3.82Å; V314-I327 HydrophobicContact CG1-CG2 3.72Å; L315-I327 WeakPolarHBondContact O-CA 3.37Å; I327-L329 HydrophobicContact CG2-CD2 4.46Å
328	V	97.6	Very high	94.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.2	174.9	-169.2	0	0	0	0	108.5	K247 P249 V266 V314 L315 R317 L330	K247-V328 HydrophobicContact CB-CB 4.49Å; K247-V328 HydrophobicContact CB-CG1 4.4Å; K247-V328 HydrophobicContact CB-CG2 4.18Å; K247-V328 HydrophobicContact CG-CG1 4.17Å; K247-V328 HydrophobicContact CG-CG2 4.41Å; K247-V328 VanDerWaalsContact O-CA 3.32Å; K247-V328 WeakPolarHBondContact O-CA 3.39Å; P249-V328 HydrophobicContact CG-CG1 4.16Å; V266-V328 HydrophobicContact CB-CG1 3.96Å; V266-V328 HydrophobicContact CG1-CB 4.27Å; V266-V328 HydrophobicContact CG1-CG1 3.7Å; V266-V328 HydrophobicContact CG1-CG2 3.59Å; V266-V328 HydrophobicContact CG2-CG1 4.31Å; V314-V328 WeakPolarHBondContact CA-O 3.46Å; L315-V328 HydrophobicContact CB-CB 4.04Å; L315-V328 HydrophobicContact CB-CG2 4.32Å; L315-V328 PolarHBondContact N-O 2.78Å; L315-V328 PolarHBondContact O-N 2.9Å; R317-V328 HydrophobicContact CG-CG2 4.45Å; V328-L330 HydrophobicContact CG1-CD2 3.8Å
329	L	96.8	Very high	94.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.6	170.6	-69.4	-175.8	0	0	0	109.4	L246 K247 P249 M294 M298 V314 I327 H332	L246-L329 HydrophobicContact CD1-CB 4.44Å; L246-L329 HydrophobicContact CD1-CD1 3.95Å; L246-L329 HydrophobicContact CD1-CG 3.82Å; K247-L329 PolarHBondContact O-N 3.39Å; P249-L329 WeakPolarHBondContact CD-O 3.32Å; M294-L329 HydrophobicContact CE-CD1 3.79Å; M294-L329 HydrophobicContact CE-CD2 3.87Å; M294-L329 HydrophobicContact CE-CG 4.12Å; M294-L329 HydrophobicContact SD-CD1 3.64Å; M294-L329 HydrophobicContact SD-CG 4.17Å; M298-L329 HydrophobicContact CE-CD1 4.06Å; V314-L329 HydrophobicContact CG1-CD2 4.25Å; V314-L329 HydrophobicContact CG2-CD2 3.85Å; I327-L329 HydrophobicContact CG2-CD2 4.46Å; L329-H332 PolarHBondContact O-NE2 3.46Å
330	L	93.6	Very high	94	Very high	46 Å²	46	39.4 Å²	39.4	24%	0.241	24%	0.24	C	C	.	.			trans	-98.7	-51.3	-173.8	-62.5	178.6	0	0	0	113.3	P249 N313 L315 V328	P249-L330 HydrophobicContact CG-CD2 3.99Å; N313-L330 PolarHBondContact O-N 3.34Å; L315-L330 HydrophobicContact CD1-CD1 3.85Å; L315-L330 HydrophobicContact CD1-CD2 4.28Å; L315-L330 HydrophobicContact CD1-CG 4.39Å; L315-L330 HydrophobicContact CD2-CD1 4.24Å; L315-L330 HydrophobicContact CG-CD1 3.73Å; L315-L330 HydrophobicContact CG-CG 4.24Å; V328-L330 HydrophobicContact CG1-CD2 3.8Å
331	D	91.7	Very high	94.3	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.102	24%	0.24	C	C	.	.			trans	-93.3	132.6	-174.4	-170.4	-79.3	0	0	0	110.5	K176 H306 N313 G333	K176-D331 IonicContact NZ-OD2 2.71Å; K176-D331 PolarHBondContact NZ-OD2 3.5Å; H306-D331 PolarHBondContact CE1-O 3.38Å; H306-D331 PolarHBondContact NE2-O 3.5Å; H306-D331 VanDerWaalsContact NE2-O 3.14Å; N313-D331 HydrophobicContact CB-CB 3.8Å; N313-D331 WeakPolarHBondContact ND2-CB 3.45Å; D331-G333 PolarHBondContact OD1-N 3.01Å
332	H	95.3	Very high	94.6	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.014	21%	0.209	C	C	.	.			trans	-127.3	23	179	-68.5	-86.5	0	0	0	113	E229 N232 A233 V248 L329 Y335	E229-H332 HydrophobicContact CG-CB 3.88Å; E229-H332 WeakPolarHBondContact O-CB 3.49Å; E229-H332 PolarHBondContact OE1-N 3.35Å; N232-H332 HydrophobicContact CB-CB 4Å; N232-H332 WeakPolarHBondContact CB-O 3.49Å; N232-H332 PolarHBondContact ND2-O 2.83Å; N232-H332 VanDerWaalsContact ND2-O 3.12Å; A233-H332 HydrophobicContact CB-CB 4.06Å; A233-H332 VanDerWaalsContact CB-CD2 3.46Å; A233-H332 WeakPolarHBondContact CB-CD2 3.18Å; V248-H332 WeakPolarHBondContact CG1-NE2 3.26Å; L329-H332 PolarHBondContact O-NE2 3.46Å; H332-Y335 HydrophobicContact CB-CE2 3.8Å; H332-Y335 PolarHBondContact CE1-OH 2.92Å; H332-Y335 AromaticContact ND1-CE2 3.63Å; H332-Y335 AromaticContact ND1-CZ 3.59Å; H332-Y335 PolarHBondContact ND1-OH 3.16Å; H332-Y335 WeakPolarHBondContact O-CD2 3.45Å
333	G	91.3	Very high	94.7	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.031	19%	0.19	C	C	.	.	S	Bend	trans	-72.5	-32.2	-174.1	0	0	0	0	0	113.5	D331	D331-G333 PolarHBondContact OD1-N 3.01Å
334	L	91.5	Very high	94.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.176	C	C	.	.			trans	-116.5	105.7	-174.2	-174.6	61.1	0	0	0	113.1	N219 H306 C307 D308 L430	N219-L334 HydrophobicContact CB-CD1 3.81Å; N219-L334 VanDerWaalsContact ND2-CD1 3.32Å; N219-L334 WeakPolarHBondContact ND2-CD1 3.46Å; N219-L334 WeakPolarHBondContact OD1-CD1 3.38Å; H306-L334 PolarHBondContact ND1-O 3.14Å; C307-L334 HydrophobicContact CB-CD2 4.16Å; C307-L334 HydrophobicContact CB-CG 4.05Å; C307-L334 PolarHBondContact N-O 2.65Å; D308-L334 HydrophobicContact CB-CB 4.18Å; D308-L334 HydrophobicContact CB-CD2 4.16Å; L334-L430 HydrophobicContact CD2-CD2 4.32Å
335	Y	94.4	Very high	94.9	Very high	22 Å²	22	30.5 Å²	30.5	9%	0.086	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146	176.4	-84.9	-96.5	0	0	0	113	N232 V236 F304 V305 H306 H332	N232-Y335 HydrophobicContact CB-CD2 3.7Å; N232-Y335 HydrophobicContact CB-CE2 3.78Å; N232-Y335 HydrophobicContact CB-CG 4.36Å; V236-Y335 HydrophobicContact CG2-CE1 3.38Å; V236-Y335 VanDerWaalsContact CG2-CZ 3.49Å; V236-Y335 WeakPolarHBondContact CG2-OH 3.49Å; F304-Y335 AromaticContact CD1-CD1 3.79Å; F304-Y335 HydrophobicContact CD1-CD1 3.79Å; F304-Y335 AromaticContact CD1-CE1 3.9Å; F304-Y335 HydrophobicContact CD1-CE1 3.9Å; F304-Y335 HydrophobicContact CD2-CD1 4.13Å; F304-Y335 AromaticContact CE1-CD1 3.33Å; F304-Y335 HydrophobicContact CE1-CD1 3.33Å; F304-Y335 AromaticContact CE1-CE1 3.49Å; F304-Y335 HydrophobicContact CE1-CE1 3.49Å; F304-Y335 VanDerWaalsContact CE1-CE1 3.49Å; F304-Y335 HydrophobicContact CE1-CG 4.08Å; F304-Y335 AromaticContact CE2-CD1 3.72Å; F304-Y335 HydrophobicContact CE2-CD1 3.72Å; F304-Y335 HydrophobicContact CE2-CG 4.01Å; F304-Y335 HydrophobicContact CG-CD1 4.17Å; F304-Y335 AromaticContact CZ-CD1 3.29Å; F304-Y335 HydrophobicContact CZ-CD1 3.29Å; F304-Y335 HydrophobicContact CZ-CD2 4.44Å; F304-Y335 AromaticContact CZ-CE1 3.92Å; F304-Y335 HydrophobicContact CZ-CE1 3.92Å; F304-Y335 AromaticContact CZ-CG 3.61Å; F304-Y335 HydrophobicContact CZ-CG 3.61Å; V305-Y335 VanDerWaalsContact C-CD1 3.46Å; V305-Y335 CarbonylContact O-C 3.56Å; V305-Y335 VanDerWaalsContact O-CA 3.26Å; V305-Y335 WeakPolarHBondContact O-CA 3.46Å; V305-Y335 VanDerWaalsContact O-CD1 3.28Å; V305-Y335 WeakPolarHBondContact O-CD1 3.43Å; H306-Y335 HydrophobicContact CB-CD1 4.37Å; H306-Y335 HydrophobicContact CB-CE1 3.69Å; H306-Y335 HydrophobicContact CB-CE2 4.22Å; H306-Y335 AromaticContact CG-CZ 3.95Å; H332-Y335 HydrophobicContact CB-CE2 3.8Å; H332-Y335 PolarHBondContact CE1-OH 2.92Å; H332-Y335 AromaticContact ND1-CE2 3.63Å; H332-Y335 AromaticContact ND1-CZ 3.59Å; H332-Y335 PolarHBondContact ND1-OH 3.16Å; H332-Y335 WeakPolarHBondContact O-CD2 3.45Å
336	Q	93.8	Very high	94.9	Very high	26 Å²	26	30.4 Å²	30.4	12%	0.121	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.4	170.4	-174.8	57.7	59.5	0	0	110.7	V305 L338 Q427 L430	V305-Q336 PolarHBondContact N-O 2.87Å; V305-Q336 PolarHBondContact O-N 3.19Å; Q336-L338 HydrophobicContact CG-CD2 3.96Å; Q336-Q427 HydrophobicContact CG-CB 4.45Å; Q336-Q427 HydrophobicContact CG-CG 4.29Å; Q336-L430 HydrophobicContact CB-CD1 3.79Å; Q336-L430 HydrophobicContact CG-CD1 4.16Å
337	V	95.4	Very high	94.7	Very high	87 Å²	87	30 Å²	30	53%	0.527	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.1	167.1	-177.3	0	0	0	0	108.1	G303 F304	G303-V337 CarbonylContact O-C 3.55Å; G303-V337 WeakPolarHBondContact O-CA 3.36Å; F304-V337 HydrophobicContact CD2-CG2 3.83Å; F304-V337 HydrophobicContact CE2-CG2 4.13Å
338	L	96.1	Very high	94.6	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.063	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-87.2	132.8	176.5	-53.7	-174.8	0	0	0	109.9	I299 G303 V305 Q336 F342 R343 Q427 I431	I299-L338 HydrophobicContact CG2-CD1 4.32Å; G303-L338 PolarHBondContact O-N 3.33Å; V305-L338 HydrophobicContact CG2-CD1 3.81Å; V305-L338 HydrophobicContact CG2-CD2 4.43Å; V305-L338 HydrophobicContact CG2-CG 3.94Å; Q336-L338 HydrophobicContact CG-CD2 3.96Å; L338-F342 HydrophobicContact CB-CD1 4.24Å; L338-F342 HydrophobicContact CD1-CD1 4.41Å; L338-F342 HydrophobicContact CD1-CE1 4.34Å; L338-F342 HydrophobicContact CD2-CD1 4.03Å; L338-F342 HydrophobicContact CD2-CE1 3.87Å; L338-F342 HydrophobicContact CG-CD1 4.46Å; L338-R343 HydrophobicContact CB-CB 4.21Å; L338-R343 HydrophobicContact CD1-CB 4.46Å; L338-R343 HydrophobicContact CD1-CG 4.43Å; L338-Q427 HydrophobicContact CD2-CB 3.97Å; L338-Q427 HydrophobicContact CD2-CG 4.35Å; L338-I431 HydrophobicContact CD1-CD1 3.87Å; L338-I431 HydrophobicContact CD2-CD1 3.87Å; L338-I431 HydrophobicContact CD2-CG1 4.45Å
339	T	96.1	Very high	94.4	Very high	73 Å²	73	31.7 Å²	31.7	45%	0.448	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-66.2	147.6	169.1	63.1	0	0	0	0	109.1	E341 F342 R343	T339-E341 VanDerWaalsContact C-N 3.27Å; T339-E341 PolarHBondContact O-N 3.24Å; T339-F342 PolarHBondContact O-N 2.99Å; T339-F342 WeakPolarHBondContact OG1-CB 3.5Å; T339-F342 PolarHBondContact OG1-N 3.45Å; T339-R343 WeakPolarHBondContact O-CB 2.9Å; T339-R343 PolarHBondContact O-N 3.28Å
340	E	92.8	Very high	94	Very high	105 Å²	105	32 Å²	32	49%	0.491	16%	0.162	S	C	.	.	H	α-helix	trans	-59.1	-42.2	-177.9	-177.4	168.2	-151.7	0	0	111.4	R343 L344 H468	E340-R343 PolarHBondContact O-N 3.46Å; E340-R343 IonicContact OE1-NH2 2.7Å; E340-L344 HydrophobicContact CG-CD1 3.76Å; E340-L344 HydrophobicContact CG-CG 4.21Å; E340-L344 WeakPolarHBondContact O-CB 3.36Å; E340-L344 VanDerWaalsContact O-CG 3.23Å; E340-L344 WeakPolarHBondContact O-CG 3.45Å; E340-L344 PolarHBondContact O-N 2.98Å; E340-H468 IonicContact OE1-CE1 3.91Å; E340-H468 PolarHBondContact OE1-CE1 3.06Å; E340-H468 VanDerWaalsContact OE1-CE1 3.25Å; E340-H468 IonicContact OE1-ND1 3.36Å; E340-H468 PolarHBondContact OE1-ND1 3.45Å; E340-H468 VanDerWaalsContact OE1-ND1 3.09Å
341	E	95.1	Very high	93.8	Very high	145 Å²	145	30.6 Å²	30.6	68%	0.678	15%	0.154	S	C	*	.	H	α-helix	trans	-57.6	-51.1	175.2	-177.1	-175.5	177.7	0	0	112.3	T339 R343 L344 N345	T339-E341 VanDerWaalsContact C-N 3.27Å; T339-E341 PolarHBondContact O-N 3.24Å; E341-R343 VanDerWaalsContact C-N 3.34Å; E341-R343 PolarHBondContact O-N 2.71Å; E341-L344 PolarHBondContact O-N 3.29Å; E341-N345 WeakPolarHBondContact O-CB 3.2Å; E341-N345 PolarHBondContact O-N 3.09Å; E341-N345 PolarHBondContact O-ND2 3.43Å
342	F	96.3	Very high	93.7	Very high	12 Å²	12	29.9 Å²	29.9	5%	0.053	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-47.6	179.2	173.4	-88.9	0	0	0	110.7	L338 T339 L344 N345 Y346 L368 P425 Q427 M428 I431	L338-F342 HydrophobicContact CB-CD1 4.24Å; L338-F342 HydrophobicContact CD1-CD1 4.41Å; L338-F342 HydrophobicContact CD1-CE1 4.34Å; L338-F342 HydrophobicContact CD2-CD1 4.03Å; L338-F342 HydrophobicContact CD2-CE1 3.87Å; L338-F342 HydrophobicContact CG-CD1 4.46Å; T339-F342 PolarHBondContact O-N 2.99Å; T339-F342 WeakPolarHBondContact OG1-CB 3.5Å; T339-F342 PolarHBondContact OG1-N 3.45Å; F342-L344 PolarHBondContact O-N 3.43Å; F342-N345 PolarHBondContact O-N 3.14Å; F342-Y346 WeakPolarHBondContact O-CB 3.16Å; F342-Y346 PolarHBondContact O-N 3.12Å; F342-L368 HydrophobicContact CD2-CD2 3.51Å; F342-L368 HydrophobicContact CE2-CD2 3.43Å; F342-L368 VanDerWaalsContact CE2-CD2 3.43Å; F342-L368 HydrophobicContact CG-CD2 4.3Å; F342-L368 HydrophobicContact CZ-CD2 4.17Å; F342-P425 HydrophobicContact CD2-CG 3.8Å; F342-P425 HydrophobicContact CE2-CG 3.53Å; F342-Q427 HydrophobicContact CD1-CB 4.01Å; F342-Q427 VanDerWaalsContact CD1-OE1 3.31Å; F342-Q427 HydrophobicContact CD2-CB 4.21Å; F342-Q427 HydrophobicContact CE1-CB 3.79Å; F342-Q427 HydrophobicContact CE2-CB 4Å; F342-Q427 HydrophobicContact CG-CB 4.22Å; F342-Q427 HydrophobicContact CZ-CB 3.76Å; F342-M428 HydrophobicContact CE2-CB 4.04Å; F342-M428 HydrophobicContact CE2-CE 3.88Å; F342-M428 HydrophobicContact CZ-CB 3.97Å; F342-M428 HydrophobicContact CZ-CE 3.54Å; F342-M428 HydrophobicContact CZ-SD 4.49Å; F342-I431 HydrophobicContact CE1-CD1 3.55Å; F342-I431 HydrophobicContact CZ-CD1 3.99Å
343	R	95.5	Very high	93.3	Very high	38 Å²	38	29.8 Å²	29.8	14%	0.143	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-43.7	179.6	-174.8	-173.9	67.6	166.4	3.8	111.8	I299 F300 V301 L338 T339 E340 E341 Y346 C347	I299-R343 WeakPolarHBondContact O-CD 3.37Å; I299-R343 WeakPolarHBondContact O-CG 3.44Å; F300-R343 WeakPolarHBondContact O-CD 3.36Å; V301-R343 VanDerWaalsContact C-NH1 3.27Å; V301-R343 PolarHBondContact O-NH1 3.46Å; L338-R343 HydrophobicContact CB-CB 4.21Å; L338-R343 HydrophobicContact CD1-CB 4.46Å; L338-R343 HydrophobicContact CD1-CG 4.43Å; T339-R343 WeakPolarHBondContact O-CB 2.9Å; T339-R343 PolarHBondContact O-N 3.28Å; E340-R343 PolarHBondContact O-N 3.46Å; E340-R343 IonicContact OE1-NH2 2.7Å; E341-R343 VanDerWaalsContact C-N 3.34Å; E341-R343 PolarHBondContact O-N 2.71Å; R343-Y346 WeakPolarHBondContact O-CB 3.31Å; R343-Y346 PolarHBondContact O-N 2.87Å; R343-C347 PolarHBondContact O-N 3.45Å; R343-C347 PolarHBondContact O-SG 3.34Å
344	L	94.6	Very high	92.9	Very high	24 Å²	24	30.7 Å²	30.7	13%	0.126	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-41.2	178.7	-69.8	171.8	0	0	0	112.1	E340 E341 F342 Y346 C347 H348 L465 H468	E340-L344 HydrophobicContact CG-CD1 3.76Å; E340-L344 HydrophobicContact CG-CG 4.21Å; E340-L344 WeakPolarHBondContact O-CB 3.36Å; E340-L344 VanDerWaalsContact O-CG 3.23Å; E340-L344 WeakPolarHBondContact O-CG 3.45Å; E340-L344 PolarHBondContact O-N 2.98Å; E341-L344 PolarHBondContact O-N 3.29Å; F342-L344 PolarHBondContact O-N 3.43Å; L344-Y346 VanDerWaalsContact C-N 3.27Å; L344-Y346 PolarHBondContact O-N 3.05Å; L344-C347 WeakPolarHBondContact O-CB 3.35Å; L344-C347 PolarHBondContact O-N 2.96Å; L344-H348 PolarHBondContact O-CD2 2.87Å; L344-H348 PolarHBondContact O-N 3.29Å; L344-L465 HydrophobicContact CD2-CD2 4.18Å; L344-H468 WeakPolarHBondContact CD1-CE1 3.37Å; L344-H468 WeakPolarHBondContact CD1-NE2 3.43Å; L344-H468 HydrophobicContact CD2-CB 4.14Å
345	N	96.1	Very high	92.5	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-40.1	172.5	-75.8	-34.8	0	0	0	111	E341 F342 H348 L349 Y364 R367 L368	E341-N345 WeakPolarHBondContact O-CB 3.2Å; E341-N345 PolarHBondContact O-N 3.09Å; E341-N345 PolarHBondContact O-ND2 3.43Å; F342-N345 PolarHBondContact O-N 3.14Å; N345-H348 PolarHBondContact O-N 3.09Å; N345-L349 PolarHBondContact O-N 3.44Å; N345-Y364 HydrophobicContact CB-CD1 4.21Å; N345-R367 WeakPolarHBondContact OD1-CD 3.25Å; N345-L368 HydrophobicContact CB-CD2 4Å; N345-L368 HydrophobicContact CB-CG 4.22Å
346	Y	94.9	Very high	92.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-44.9	174.9	-169	-110.5	0	0	0	112.5	I299 F300 F342 R343 L344 H348 L349 W350 L368 L381 M428 I431 N435	I299-Y346 HydrophobicContact CG2-CD1 3.86Å; I299-Y346 HydrophobicContact CG2-CE1 3.62Å; F300-Y346 HydrophobicContact CD1-CD1 4.05Å; F300-Y346 HydrophobicContact CD1-CE1 4.4Å; F300-Y346 AromaticContact CE1-CD1 3.41Å; F300-Y346 HydrophobicContact CE1-CD1 3.41Å; F300-Y346 VanDerWaalsContact CE1-CD1 3.41Å; F300-Y346 AromaticContact CE1-CE1 3.5Å; F300-Y346 HydrophobicContact CE1-CE1 3.5Å; F300-Y346 VanDerWaalsContact CE1-CE1 3.5Å; F300-Y346 HydrophobicContact CZ-CD1 4.08Å; F300-Y346 AromaticContact CZ-CE1 3.65Å; F300-Y346 HydrophobicContact CZ-CE1 3.65Å; F342-Y346 WeakPolarHBondContact O-CB 3.16Å; F342-Y346 PolarHBondContact O-N 3.12Å; R343-Y346 WeakPolarHBondContact O-CB 3.31Å; R343-Y346 PolarHBondContact O-N 2.87Å; L344-Y346 VanDerWaalsContact C-N 3.27Å; L344-Y346 PolarHBondContact O-N 3.05Å; Y346-H348 VanDerWaalsContact C-N 3.31Å; Y346-H348 PolarHBondContact O-N 3.4Å; Y346-L349 PolarHBondContact O-N 3.18Å; Y346-W350 AromaticContact CD1-CD1 3.81Å; Y346-W350 AromaticContact CE1-CD1 3.48Å; Y346-W350 VanDerWaalsContact CE1-CD1 3.48Å; Y346-W350 AromaticContact CE1-NE1 3.3Å; Y346-W350 VanDerWaalsContact CE1-NE1 3.3Å; Y346-W350 AromaticContact CE2-CD1 3.82Å; Y346-W350 AromaticContact CE2-NE1 3.46Å; Y346-W350 AromaticContact CZ-CD1 3.51Å; Y346-W350 AromaticContact CZ-NE1 2.94Å; Y346-W350 PolarHBondContact O-N 3.43Å; Y346-W350 PolarHBondContact OH-NE1 2.97Å; Y346-L368 HydrophobicContact CD2-CD1 4.26Å; Y346-L381 HydrophobicContact CE2-CD2 3.79Å; Y346-M428 HydrophobicContact CD2-CE 3.45Å; Y346-M428 VanDerWaalsContact CD2-CE 3.45Å; Y346-M428 HydrophobicContact CE2-CE 3.62Å; Y346-M428 HydrophobicContact CE2-SD 4.12Å; Y346-I431 HydrophobicContact CE1-CG2 4.33Å; Y346-I431 HydrophobicContact CE2-CG2 4.19Å; Y346-I431 WeakPolarHBondContact OH-CG2 3.35Å; Y346-N435 PolarHBondContact OH-ND2 3.21Å
347	C	93.2	Very high	91.9	Very high	1 Å²	1	38 Å²	38	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-56.3	-46.6	171.7	-68.4	0	0	0	0	111.1	F300 R343 L344 L349 W350 Q351 C461 L465	F300-C347 VanDerWaalsContact CD1-SG 3.58Å; R343-C347 PolarHBondContact O-N 3.45Å; R343-C347 PolarHBondContact O-SG 3.34Å; L344-C347 WeakPolarHBondContact O-CB 3.35Å; L344-C347 PolarHBondContact O-N 2.96Å; C347-L349 VanDerWaalsContact C-N 3.35Å; C347-L349 PolarHBondContact O-N 2.95Å; C347-W350 PolarHBondContact O-N 2.96Å; C347-Q351 VanDerWaalsContact O-CB 3.26Å; C347-Q351 WeakPolarHBondContact O-CB 3.28Å; C347-Q351 PolarHBondContact O-N 3.22Å; C347-C461 PolarHBondContact O-SG 3.46Å; C347-L465 HydrophobicContact CB-CD1 3.97Å; C347-L465 HydrophobicContact CB-CD2 3.57Å; C347-L465 HydrophobicContact CB-CG 3.67Å
348	H	93.8	Very high	91.7	Very high	35 Å²	35	35.5 Å²	35.5	16%	0.162	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-35.7	-179.8	-76.7	-54.1	0	0	0	113.3	L344 N345 Y346 Q351 S352 Y364	L344-H348 PolarHBondContact O-CD2 2.87Å; L344-H348 PolarHBondContact O-N 3.29Å; N345-H348 PolarHBondContact O-N 3.09Å; Y346-H348 VanDerWaalsContact C-N 3.31Å; Y346-H348 PolarHBondContact O-N 3.4Å; H348-Q351 PolarHBondContact O-N 2.91Å; H348-S352 WeakPolarHBondContact O-CB 3.47Å; H348-S352 PolarHBondContact O-N 3.36Å; H348-S352 PolarHBondContact O-OG 2.99Å; H348-Y364 HydrophobicContact CB-CD1 3.64Å; H348-Y364 HydrophobicContact CB-CD2 3.64Å; H348-Y364 HydrophobicContact CB-CE1 3.39Å; H348-Y364 HydrophobicContact CB-CE2 3.42Å; H348-Y364 VanDerWaalsContact CB-CE2 3.42Å; H348-Y364 HydrophobicContact CB-CG 3.75Å; H348-Y364 AromaticContact CD2-CE1 3.76Å; H348-Y364 AromaticContact CD2-CZ 3.8Å; H348-Y364 AromaticContact CG-CE1 3.78Å; H348-Y364 AromaticContact CG-CZ 3.53Å
349	L	93.6	Very high	91.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-50.9	172	178	56	0	0	0	111	N345 Y346 C347 Q351 S352 L353 V361 S365 L368 F377 L381	N345-L349 PolarHBondContact O-N 3.44Å; Y346-L349 PolarHBondContact O-N 3.18Å; C347-L349 VanDerWaalsContact C-N 3.35Å; C347-L349 PolarHBondContact O-N 2.95Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; L349-Q351 PolarHBondContact O-N 3.35Å; L349-S352 WeakPolarHBondContact O-CB 3.42Å; L349-S352 PolarHBondContact O-N 2.94Å; L349-L353 HydrophobicContact CD1-CD1 4.3Å; L349-L353 HydrophobicContact CD1-CG 4.32Å; L349-L353 HydrophobicContact CG-CD1 4.14Å; L349-L353 WeakPolarHBondContact O-CG 3.36Å; L349-L353 PolarHBondContact O-N 2.98Å; L349-V361 HydrophobicContact CD1-CB 4.32Å; L349-V361 HydrophobicContact CD1-CG1 4Å; L349-V361 HydrophobicContact CD1-CG2 4.45Å; L349-S365 WeakPolarHBondContact CD1-OG 3.35Å; L349-L368 HydrophobicContact CB-CD1 4.13Å; L349-L368 HydrophobicContact CD2-CD1 3.57Å; L349-F377 HydrophobicContact CD2-CD1 4.17Å; L349-F377 HydrophobicContact CD2-CE1 3.58Å; L349-F377 HydrophobicContact CD2-CZ 4.46Å; L349-L381 HydrophobicContact CD2-CD1 3.41Å; L349-L381 VanDerWaalsContact CD2-CD1 3.41Å; L349-L381 HydrophobicContact CG-CD1 4.42Å
350	W	89.8	Confident	91.6	Very high	6 Å²	6	44.5 Å²	44.5	2%	0.023	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-46	177.3	-89.5	88.1	0	0	0	112.4	F300 Y346 C347 S352 L353 I354 F454 M457 C461	F300-W350 HydrophobicContact CE1-CB 4.22Å; F300-W350 AromaticContact CE1-CD1 3.7Å; F300-W350 AromaticContact CE1-CG 3.9Å; F300-W350 HydrophobicContact CE1-CG 3.9Å; F300-W350 HydrophobicContact CZ-CB 4.38Å; F300-W350 AromaticContact CZ-CD1 3.7Å; F300-W350 HydrophobicContact CZ-CD2 4.01Å; F300-W350 AromaticContact CZ-CG 3.76Å; F300-W350 HydrophobicContact CZ-CG 3.76Å; F300-W350 AromaticContact CZ-NE1 3.95Å; Y346-W350 AromaticContact CD1-CD1 3.81Å; Y346-W350 AromaticContact CE1-CD1 3.48Å; Y346-W350 VanDerWaalsContact CE1-CD1 3.48Å; Y346-W350 AromaticContact CE1-NE1 3.3Å; Y346-W350 VanDerWaalsContact CE1-NE1 3.3Å; Y346-W350 AromaticContact CE2-CD1 3.82Å; Y346-W350 AromaticContact CE2-NE1 3.46Å; Y346-W350 AromaticContact CZ-CD1 3.51Å; Y346-W350 AromaticContact CZ-NE1 2.94Å; Y346-W350 PolarHBondContact O-N 3.43Å; Y346-W350 PolarHBondContact OH-NE1 2.97Å; C347-W350 PolarHBondContact O-N 2.96Å; W350-S352 VanDerWaalsContact C-N 3.27Å; W350-S352 PolarHBondContact O-N 2.63Å; W350-L353 PolarHBondContact O-N 3.31Å; W350-I354 VanDerWaalsContact O-CD1 3.29Å; W350-I354 WeakPolarHBondContact O-CD1 3.43Å; W350-I354 VanDerWaalsContact O-CG1 3.23Å; W350-I354 WeakPolarHBondContact O-CG1 3.22Å; W350-I354 PolarHBondContact O-N 2.96Å; W350-F454 HydrophobicContact CE3-CD2 4.26Å; W350-F454 AromaticContact CE3-CE2 3.89Å; W350-F454 HydrophobicContact CE3-CE2 3.89Å; W350-F454 HydrophobicContact CE3-CZ 4.48Å; W350-F454 AromaticContact CH2-CD2 3.83Å; W350-F454 HydrophobicContact CH2-CD2 3.83Å; W350-F454 HydrophobicContact CH2-CE2 4.07Å; W350-F454 AromaticContact CZ3-CD2 3.26Å; W350-F454 HydrophobicContact CZ3-CD2 3.26Å; W350-F454 AromaticContact CZ3-CE2 3.29Å; W350-F454 HydrophobicContact CZ3-CE2 3.29Å; W350-F454 HydrophobicContact CZ3-CG 4.13Å; W350-F454 HydrophobicContact CZ3-CZ 4.21Å; W350-M457 HydrophobicContact CD2-CE 4.44Å; W350-M457 HydrophobicContact CE3-CB 4.2Å; W350-M457 HydrophobicContact CH2-CB 4.36Å; W350-M457 HydrophobicContact CH2-CE 3.61Å; W350-M457 HydrophobicContact CH2-SD 3.47Å; W350-M457 WeakPolarHBondContact CH2-SD 3.4Å; W350-M457 HydrophobicContact CZ2-CE 3.28Å; W350-M457 HydrophobicContact CZ2-SD 3.83Å; W350-M457 HydrophobicContact CZ3-CB 3.93Å; W350-M457 HydrophobicContact CZ3-CE 4.29Å; W350-M457 HydrophobicContact CZ3-SD 4.02Å; W350-C461 HydrophobicContact CB-CB 4.5Å
351	Q	87.8	Confident	91.7	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-57.2	-40.4	174.2	178.7	166.1	81.8	0	0	112.6	C347 H348 L349 I354 W355 L465	C347-Q351 VanDerWaalsContact O-CB 3.26Å; C347-Q351 WeakPolarHBondContact O-CB 3.28Å; C347-Q351 PolarHBondContact O-N 3.22Å; H348-Q351 PolarHBondContact O-N 2.91Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; L349-Q351 PolarHBondContact O-N 3.35Å; Q351-I354 PolarHBondContact O-N 3.04Å; Q351-W355 HydrophobicContact CB-CZ3 4.42Å; Q351-W355 HydrophobicContact CG-CD2 4.2Å; Q351-W355 HydrophobicContact CG-CE3 3.36Å; Q351-W355 HydrophobicContact CG-CH2 3.4Å; Q351-W355 HydrophobicContact CG-CZ2 4.19Å; Q351-W355 HydrophobicContact CG-CZ3 2.94Å; Q351-W355 PolarHBondContact O-N 2.91Å; Q351-L465 HydrophobicContact CB-CD1 4.07Å; Q351-L465 VanDerWaalsContact CD-CD1 3.46Å; Q351-L465 HydrophobicContact CG-CD1 4.38Å
352	S	90.7	Very high	91.7	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.028	16%	0.163	C	C	.	.	H	α-helix	trans	-70.1	-37.2	178.5	-53.5	0	0	0	0	112	H348 L349 W350 I354 W355 T356 D357 R360	H348-S352 WeakPolarHBondContact O-CB 3.47Å; H348-S352 PolarHBondContact O-N 3.36Å; H348-S352 PolarHBondContact O-OG 2.99Å; L349-S352 WeakPolarHBondContact O-CB 3.42Å; L349-S352 PolarHBondContact O-N 2.94Å; W350-S352 VanDerWaalsContact C-N 3.27Å; W350-S352 PolarHBondContact O-N 2.63Å; S352-I354 VanDerWaalsContact C-N 3.35Å; S352-W355 PolarHBondContact O-N 3.48Å; S352-T356 PolarHBondContact O-N 2.98Å; S352-D357 PolarHBondContact O-N 3.36Å; S352-R360 WeakPolarHBondContact OG-CB 3.4Å
353	L	87.2	Confident	91.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-64.6	-37.7	174.8	-70.9	166.2	0	0	0	112.2	L349 W350 W355 T356 V361 A378 T382 V389 I393	L349-L353 HydrophobicContact CD1-CD1 4.3Å; L349-L353 HydrophobicContact CD1-CG 4.32Å; L349-L353 HydrophobicContact CG-CD1 4.14Å; L349-L353 WeakPolarHBondContact O-CG 3.36Å; L349-L353 PolarHBondContact O-N 2.98Å; W350-L353 PolarHBondContact O-N 3.31Å; L353-W355 VanDerWaalsContact C-N 3.33Å; L353-W355 PolarHBondContact O-N 2.68Å; L353-T356 PolarHBondContact O-N 2.86Å; L353-V361 HydrophobicContact CD2-CG1 4.04Å; L353-V361 HydrophobicContact CD2-CG2 3.81Å; L353-V361 HydrophobicContact CG-CG2 4.04Å; L353-A378 HydrophobicContact CD2-CB 4.07Å; L353-T382 HydrophobicContact CD1-CG2 3.8Å; L353-T382 HydrophobicContact CD2-CG2 4.32Å; L353-V389 HydrophobicContact CD2-CG1 3.89Å; L353-I393 HydrophobicContact CB-CD1 4.11Å; L353-I393 HydrophobicContact CD2-CD1 4.43Å
354	I	81.7	Confident	91.8	Very high	22 Å²	22	37.5 Å²	37.5	11%	0.113	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-38.1	178.4	-67.6	155.8	0	0	0	111.6	W350 Q351 S352 F454 S458	W350-I354 VanDerWaalsContact O-CD1 3.29Å; W350-I354 WeakPolarHBondContact O-CD1 3.43Å; W350-I354 VanDerWaalsContact O-CG1 3.23Å; W350-I354 WeakPolarHBondContact O-CG1 3.22Å; W350-I354 PolarHBondContact O-N 2.96Å; Q351-I354 PolarHBondContact O-N 3.04Å; S352-I354 VanDerWaalsContact C-N 3.35Å; I354-F454 HydrophobicContact CG1-CE1 3.97Å; I354-F454 HydrophobicContact CG1-CZ 3.84Å; I354-S458 WeakPolarHBondContact CD1-OG 3.44Å; I354-S458 WeakPolarHBondContact CG1-OG 3.26Å
355	W	83.3	Confident	91.9	Very high	104 Å²	104	36.3 Å²	36.3	39%	0.394	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7.2	-178.3	-62	-40.4	0	0	0	113.9	Q351 S352 L353 D357	Q351-W355 HydrophobicContact CB-CZ3 4.42Å; Q351-W355 HydrophobicContact CG-CD2 4.2Å; Q351-W355 HydrophobicContact CG-CE3 3.36Å; Q351-W355 HydrophobicContact CG-CH2 3.4Å; Q351-W355 HydrophobicContact CG-CZ2 4.19Å; Q351-W355 HydrophobicContact CG-CZ3 2.94Å; Q351-W355 PolarHBondContact O-N 2.91Å; S352-W355 PolarHBondContact O-N 3.48Å; L353-W355 VanDerWaalsContact C-N 3.33Å; L353-W355 PolarHBondContact O-N 2.68Å; W355-D357 PolarHBondContact O-N 3.18Å
356	T	86.8	Confident	91.9	Very high	42 Å²	42	39.7 Å²	39.7	26%	0.258	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	33.4	-179.2	-41.7	0	0	0	0	112.4	S352 L353 M358 N390 G392	S352-T356 PolarHBondContact O-N 2.98Å; L353-T356 PolarHBondContact O-N 2.86Å; T356-M358 VanDerWaalsContact C-N 3.35Å; T356-M358 HydrophobicContact CG2-CE 3.84Å; T356-M358 PolarHBondContact O-N 2.97Å; T356-N390 WeakPolarHBondContact CG2-O 3.49Å; T356-G392 WeakPolarHBondContact OG1-CA 3.31Å
357	D	90.3	Very high	91.9	Very high	58 Å²	58	46.3 Å²	46.3	31%	0.31	20%	0.203	S	C	.	.			trans	-82.7	80.7	177	-173.5	-22.3	0	0	0	109.4	S352 W355 K359 R360 V361	S352-D357 PolarHBondContact O-N 3.36Å; W355-D357 PolarHBondContact O-N 3.18Å; D357-K359 PolarHBondContact O-N 3.11Å; D357-K359 PolarHBondContact OD1-N 3.39Å; D357-R360 HydrophobicContact CB-CB 4.29Å; D357-R360 VanDerWaalsContact CG-CG 3.5Å; D357-R360 PolarHBondContact O-N 2.67Å; D357-R360 WeakPolarHBondContact OD1-CG 3.45Å; D357-R360 PolarHBondContact OD1-N 2.84Å; D357-R360 VanDerWaalsContact OD1-N 3.1Å; D357-R360 WeakPolarHBondContact OD2-CD 3.35Å; D357-R360 VanDerWaalsContact OD2-CG 3.26Å; D357-R360 WeakPolarHBondContact OD2-CG 3.34Å; D357-V361 WeakPolarHBondContact O-CG2 3.5Å; D357-V361 PolarHBondContact O-N 3.44Å
358	M	90.7	Very high	92	Very high	34 Å²	34	46.3 Å²	46.3	17%	0.167	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-28	-173.8	-68.3	-58	106.1	0	0	113.5	T356 V361 K362 W386 V389	T356-M358 VanDerWaalsContact C-N 3.35Å; T356-M358 HydrophobicContact CG2-CE 3.84Å; T356-M358 PolarHBondContact O-N 2.97Å; M358-V361 HydrophobicContact CE-CB 4.44Å; M358-V361 HydrophobicContact CE-CG2 3.8Å; M358-V361 PolarHBondContact O-N 3.43Å; M358-K362 PolarHBondContact O-N 3.15Å; M358-W386 HydrophobicContact SD-CH2 4.04Å; M358-V389 HydrophobicContact CE-CG1 4.4Å
359	K	94.9	Very high	92	Very high	176 Å²	176	45.9 Å²	45.9	77%	0.765	21%	0.208	S	C	*	.	H	α-helix	trans	-64.4	-45.8	175.1	-176.3	178.3	178.3	179.2	0	110.3	D357 K362 E363	D357-K359 PolarHBondContact O-N 3.11Å; D357-K359 PolarHBondContact OD1-N 3.39Å; K359-K362 PolarHBondContact O-N 3.09Å; K359-E363 PolarHBondContact O-N 3.32Å
360	R	95.4	Very high	92	Very high	98 Å²	98	46 Å²	46	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-76.4	-31	177.9	-63.3	-174.1	99.6	162.4	9.8	112.8	S352 D357 K362 E363 Y364	S352-R360 WeakPolarHBondContact OG-CB 3.4Å; D357-R360 HydrophobicContact CB-CB 4.29Å; D357-R360 VanDerWaalsContact CG-CG 3.5Å; D357-R360 PolarHBondContact O-N 2.67Å; D357-R360 WeakPolarHBondContact OD1-CG 3.45Å; D357-R360 PolarHBondContact OD1-N 2.84Å; D357-R360 VanDerWaalsContact OD1-N 3.1Å; D357-R360 WeakPolarHBondContact OD2-CD 3.35Å; D357-R360 VanDerWaalsContact OD2-CG 3.26Å; D357-R360 WeakPolarHBondContact OD2-CG 3.34Å; R360-K362 VanDerWaalsContact C-N 3.3Å; R360-K362 PolarHBondContact O-N 2.85Å; R360-E363 PolarHBondContact O-N 2.83Å; R360-Y364 HydrophobicContact CB-CD2 4.19Å; R360-Y364 HydrophobicContact CB-CE2 4.26Å; R360-Y364 VanDerWaalsContact O-CD2 3.24Å; R360-Y364 WeakPolarHBondContact O-CD2 3.22Å; R360-Y364 PolarHBondContact O-N 3.14Å
361	V	93.9	Very high	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.6	-47.9	169.3	171.9	0	0	0	0	109.8	L349 L353 D357 M358 S365 Y374 A378	L349-V361 HydrophobicContact CD1-CB 4.32Å; L349-V361 HydrophobicContact CD1-CG1 4Å; L349-V361 HydrophobicContact CD1-CG2 4.45Å; L353-V361 HydrophobicContact CD2-CG1 4.04Å; L353-V361 HydrophobicContact CD2-CG2 3.81Å; L353-V361 HydrophobicContact CG-CG2 4.04Å; D357-V361 WeakPolarHBondContact O-CG2 3.5Å; D357-V361 PolarHBondContact O-N 3.44Å; M358-V361 HydrophobicContact CE-CB 4.44Å; M358-V361 HydrophobicContact CE-CG2 3.8Å; M358-V361 PolarHBondContact O-N 3.43Å; V361-S365 WeakPolarHBondContact O-CB 3.36Å; V361-S365 PolarHBondContact O-N 3.01Å; V361-S365 PolarHBondContact O-OG 3.4Å; V361-Y374 HydrophobicContact CG1-CD2 4.19Å; V361-A378 HydrophobicContact CG1-CB 4.29Å
362	K	95.8	Very high	92.2	Very high	80 Å²	80	52.5 Å²	52.5	35%	0.348	25%	0.253	S	S	.	.	H	α-helix	trans	-59.4	-52	174.7	-178.5	172.8	-178.2	172.8	0	111.6	M358 K359 R360 Y364 S365 Q366 Y374	M358-K362 PolarHBondContact O-N 3.15Å; K359-K362 PolarHBondContact O-N 3.09Å; R360-K362 VanDerWaalsContact C-N 3.3Å; R360-K362 PolarHBondContact O-N 2.85Å; K362-Y364 PolarHBondContact O-N 3.47Å; K362-S365 PolarHBondContact O-N 3.33Å; K362-Q366 VanDerWaalsContact CE-NE2 3.3Å; K362-Q366 WeakPolarHBondContact O-CG 3.43Å; K362-Q366 PolarHBondContact O-N 2.85Å; K362-Y374 HydrophobicContact CB-CD1 4.18Å; K362-Y374 HydrophobicContact CB-CD2 4.06Å; K362-Y374 HydrophobicContact CB-CE1 4.19Å; K362-Y374 HydrophobicContact CB-CE2 4.02Å; K362-Y374 HydrophobicContact CB-CG 4.15Å; K362-Y374 HydrophobicContact CD-CD1 4.15Å; K362-Y374 HydrophobicContact CD-CE1 3.79Å; K362-Y374 HydrophobicContact CG-CD1 3.77Å; K362-Y374 HydrophobicContact CG-CE1 3.87Å; K362-Y374 HydrophobicContact CG-CG 4.14Å
363	E	97.3	Very high	92.2	Very high	62 Å²	62	54.3 Å²	54.3	29%	0.29	26%	0.262	S	S	.	.	H	α-helix	trans	-54.4	-53.9	-178.8	-176.9	-171.5	168.6	0	0	112.5	K359 R360 Q366 R367	K359-E363 PolarHBondContact O-N 3.32Å; R360-E363 PolarHBondContact O-N 2.83Å; E363-Q366 PolarHBondContact O-N 3.26Å; E363-R367 WeakPolarHBondContact O-CG 3.43Å; E363-R367 PolarHBondContact O-N 2.86Å; E363-R367 VanDerWaalsContact O-N 3.09Å; E363-R367 IonicContact OE1-CZ 4Å; E363-R367 VanDerWaalsContact OE1-CZ 3.32Å; E363-R367 IonicContact OE1-NE 2.85Å; E363-R367 IonicContact OE1-NH1 3.35Å; E363-R367 IonicContact OE1-NH2 2.82Å; E363-R367 PolarHBondContact OE1-NH2 2.79Å
364	Y	96.8	Very high	92.4	Very high	11 Å²	11	56.5 Å²	56.5	4%	0.043	27%	0.271	C	S	.	.	H	α-helix	trans	-75.6	-27.9	-175.9	-71.7	-70.3	0	0	0	112.9	N345 H348 R360 K362 R367 L368	N345-Y364 HydrophobicContact CB-CD1 4.21Å; H348-Y364 HydrophobicContact CB-CD1 3.64Å; H348-Y364 HydrophobicContact CB-CD2 3.64Å; H348-Y364 HydrophobicContact CB-CE1 3.39Å; H348-Y364 HydrophobicContact CB-CE2 3.42Å; H348-Y364 VanDerWaalsContact CB-CE2 3.42Å; H348-Y364 HydrophobicContact CB-CG 3.75Å; H348-Y364 AromaticContact CD2-CE1 3.76Å; H348-Y364 AromaticContact CD2-CZ 3.8Å; H348-Y364 AromaticContact CG-CE1 3.78Å; H348-Y364 AromaticContact CG-CZ 3.53Å; R360-Y364 HydrophobicContact CB-CD2 4.19Å; R360-Y364 HydrophobicContact CB-CE2 4.26Å; R360-Y364 VanDerWaalsContact O-CD2 3.24Å; R360-Y364 WeakPolarHBondContact O-CD2 3.22Å; R360-Y364 PolarHBondContact O-N 3.14Å; K362-Y364 PolarHBondContact O-N 3.47Å; Y364-R367 PolarHBondContact O-N 2.96Å; Y364-L368 WeakPolarHBondContact O-CB 3.4Å; Y364-L368 WeakPolarHBondContact O-CD1 3.41Å; Y364-L368 WeakPolarHBondContact O-CG 3.49Å; Y364-L368 PolarHBondContact O-N 3.01Å
365	S	95.9	Very high	92.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-42.1	170.2	-61.3	0	0	0	0	111.4	L349 V361 K362 L368 G369 A370 Y374	L349-S365 WeakPolarHBondContact CD1-OG 3.35Å; V361-S365 WeakPolarHBondContact O-CB 3.36Å; V361-S365 PolarHBondContact O-N 3.01Å; V361-S365 PolarHBondContact O-OG 3.4Å; K362-S365 PolarHBondContact O-N 3.33Å; S365-L368 CarbonylContact O-C 3.58Å; S365-L368 PolarHBondContact O-N 3.41Å; S365-L368 VanDerWaalsContact O-N 3.11Å; S365-G369 PolarHBondContact O-N 3.47Å; S365-A370 VanDerWaalsContact O-CB 3.29Å; S365-A370 WeakPolarHBondContact O-CB 3.41Å; S365-A370 PolarHBondContact O-N 2.98Å; S365-Y374 VanDerWaalsContact CB-CB 3.41Å
366	Q	95.3	Very high	92.9	Very high	83 Å²	83	53.8 Å²	53.8	39%	0.388	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-42.8	175.1	-73.2	176.2	-27.6	0	0	111.8	K362 E363 L368 G369 G371	K362-Q366 VanDerWaalsContact CE-NE2 3.3Å; K362-Q366 WeakPolarHBondContact O-CG 3.43Å; K362-Q366 PolarHBondContact O-N 2.85Å; E363-Q366 PolarHBondContact O-N 3.26Å; Q366-L368 PolarHBondContact O-N 3.33Å; Q366-G369 PolarHBondContact O-N 3.42Å; Q366-G371 WeakPolarHBondContact CG-O 3.43Å
367	R	96	Very high	93.1	Very high	139 Å²	139	51.8 Å²	51.8	53%	0.525	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-25	173.8	-69.8	-174.2	-176.8	175.9	9	113.8	N345 E363 Y364 G369	N345-R367 WeakPolarHBondContact OD1-CD 3.25Å; E363-R367 WeakPolarHBondContact O-CG 3.43Å; E363-R367 PolarHBondContact O-N 2.86Å; E363-R367 VanDerWaalsContact O-N 3.09Å; E363-R367 IonicContact OE1-CZ 4Å; E363-R367 VanDerWaalsContact OE1-CZ 3.32Å; E363-R367 IonicContact OE1-NE 2.85Å; E363-R367 IonicContact OE1-NH1 3.35Å; E363-R367 IonicContact OE1-NH2 2.82Å; E363-R367 PolarHBondContact OE1-NH2 2.79Å; Y364-R367 PolarHBondContact O-N 2.96Å; R367-G369 VanDerWaalsContact C-N 3.29Å
368	L	95.8	Very high	93	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	14.3	175.4	-66.7	165.7	0	0	0	112.5	F342 N345 Y346 L349 Y364 S365 Q366 F377 P425 M428	F342-L368 HydrophobicContact CD2-CD2 3.51Å; F342-L368 HydrophobicContact CE2-CD2 3.43Å; F342-L368 VanDerWaalsContact CE2-CD2 3.43Å; F342-L368 HydrophobicContact CG-CD2 4.3Å; F342-L368 HydrophobicContact CZ-CD2 4.17Å; N345-L368 HydrophobicContact CB-CD2 4Å; N345-L368 HydrophobicContact CB-CG 4.22Å; Y346-L368 HydrophobicContact CD2-CD1 4.26Å; L349-L368 HydrophobicContact CB-CD1 4.13Å; L349-L368 HydrophobicContact CD2-CD1 3.57Å; Y364-L368 WeakPolarHBondContact O-CB 3.4Å; Y364-L368 WeakPolarHBondContact O-CD1 3.41Å; Y364-L368 WeakPolarHBondContact O-CG 3.49Å; Y364-L368 PolarHBondContact O-N 3.01Å; S365-L368 CarbonylContact O-C 3.58Å; S365-L368 PolarHBondContact O-N 3.41Å; S365-L368 VanDerWaalsContact O-N 3.11Å; Q366-L368 PolarHBondContact O-N 3.33Å; L368-F377 HydrophobicContact CB-CE1 4.09Å; L368-F377 HydrophobicContact CB-CZ 4.2Å; L368-F377 HydrophobicContact CD1-CE1 4.22Å; L368-P425 WeakPolarHBondContact O-CD 3.34Å; L368-M428 HydrophobicContact CB-CE 4.41Å; L368-M428 HydrophobicContact CD1-CE 4.05Å; L368-M428 HydrophobicContact CD2-CE 4.11Å; L368-M428 HydrophobicContact CG-CE 4.43Å
369	G	93.8	Very high	92.7	Very high	26 Å²	26	48.4 Å²	48.4	27%	0.268	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	5.5	173.6	0	0	0	0	0	115.1	S365 Q366 R367 G371 H423	S365-G369 PolarHBondContact O-N 3.47Å; Q366-G369 PolarHBondContact O-N 3.42Å; R367-G369 VanDerWaalsContact C-N 3.29Å; G369-G371 VanDerWaalsContact C-N 3.32Å; G369-G371 PolarHBondContact O-N 2.76Å; G369-H423 WeakPolarHBondContact O-CB 3.28Å
370	A	92.8	Very high	92.2	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.033	20%	0.204	C	C	.	.			trans	-78.3	-14.3	-179.2	0	0	0	0	0	114.3	S365 D372 L373 F377 L420	S365-A370 VanDerWaalsContact O-CB 3.29Å; S365-A370 WeakPolarHBondContact O-CB 3.41Å; S365-A370 PolarHBondContact O-N 2.98Å; A370-D372 PolarHBondContact O-N 2.96Å; A370-L373 WeakPolarHBondContact O-CA 3.38Å; A370-L373 WeakPolarHBondContact O-CB 3.42Å; A370-L373 PolarHBondContact O-N 3.21Å; A370-F377 HydrophobicContact CB-CB 3.67Å; A370-F377 HydrophobicContact CB-CD1 3.52Å; A370-F377 HydrophobicContact CB-CD2 4.27Å; A370-F377 HydrophobicContact CB-CE1 4.11Å; A370-F377 HydrophobicContact CB-CG 3.58Å; A370-L420 VanDerWaalsContact CA-CD1 3.48Å; A370-L420 HydrophobicContact CB-CD1 3.58Å
371	G	91.9	Very high	91.7	Very high	32 Å²	32	35.9 Å²	35.9	33%	0.33	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	53.3	-134.7	179.7	0	0	0	0	0	112.9	Q366 G369 L373	Q366-G371 WeakPolarHBondContact CG-O 3.43Å; G369-G371 VanDerWaalsContact C-N 3.32Å; G369-G371 PolarHBondContact O-N 2.76Å; G371-L373 VanDerWaalsContact C-N 3.26Å; G371-L373 PolarHBondContact O-N 2.64Å
372	D	90.1	Very high	91.1	Very high	126 Å²	126	36.5 Å²	36.5	67%	0.674	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-78.8	-8.3	176.9	-66.9	-42.3	0	0	0	113.6	A370 Y374 P375	A370-D372 PolarHBondContact O-N 2.96Å; D372-Y374 PolarHBondContact O-N 3.11Å; D372-P375 WeakPolarHBondContact O-CD 3.07Å
373	L	90.5	Very high	90.3	Very high	42 Å²	42	33 Å²	33	22%	0.22	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-79.7	15.5	171.7	-58.2	175.7	0	0	0	112.4	A370 G371 P375 L376 F377 Q416 Q419 L420	A370-L373 WeakPolarHBondContact O-CA 3.38Å; A370-L373 WeakPolarHBondContact O-CB 3.42Å; A370-L373 PolarHBondContact O-N 3.21Å; G371-L373 VanDerWaalsContact C-N 3.26Å; G371-L373 PolarHBondContact O-N 2.64Å; L373-P375 VanDerWaalsContact C-N 3.28Å; L373-L376 PolarHBondContact O-N 3.04Å; L373-L376 VanDerWaalsContact O-N 3.14Å; L373-F377 PolarHBondContact O-N 3.35Å; L373-Q416 HydrophobicContact CD2-CB 4.33Å; L373-Q416 HydrophobicContact CD2-CG 4.41Å; L373-Q419 HydrophobicContact CD1-CB 4.34Å; L373-Q419 HydrophobicContact CD1-CG 4.25Å; L373-L420 HydrophobicContact CB-CD1 4.24Å; L373-L420 HydrophobicContact CD1-CB 3.93Å
374	Y	91.9	Very high	89.4	Confident	47 Å²	47	30.5 Å²	30.5	18%	0.184	16%	0.164	C	C	.	.	H	α-helix	trans	-52.2	-33.4	177.4	84.9	-90.4	0	0	0	115.1	V361 K362 S365 D372 F377 A378 W386	V361-Y374 HydrophobicContact CG1-CD2 4.19Å; K362-Y374 HydrophobicContact CB-CD1 4.18Å; K362-Y374 HydrophobicContact CB-CD2 4.06Å; K362-Y374 HydrophobicContact CB-CE1 4.19Å; K362-Y374 HydrophobicContact CB-CE2 4.02Å; K362-Y374 HydrophobicContact CB-CG 4.15Å; K362-Y374 HydrophobicContact CD-CD1 4.15Å; K362-Y374 HydrophobicContact CD-CE1 3.79Å; K362-Y374 HydrophobicContact CG-CD1 3.77Å; K362-Y374 HydrophobicContact CG-CE1 3.87Å; K362-Y374 HydrophobicContact CG-CG 4.14Å; S365-Y374 VanDerWaalsContact CB-CB 3.41Å; D372-Y374 PolarHBondContact O-N 3.11Å; Y374-F377 PolarHBondContact O-N 2.91Å; Y374-A378 WeakPolarHBondContact O-CB 3.38Å; Y374-A378 PolarHBondContact O-N 3.36Å; Y374-W386 HydrophobicContact CD2-CH2 4.49Å; Y374-W386 AromaticContact CE2-CH2 3.77Å; Y374-W386 HydrophobicContact CE2-CH2 3.77Å
375	P	88.8	Confident	88.6	Confident	37 Å²	37	30.7 Å²	30.7	24%	0.24	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-46	177.6	-21.1	36.1	0	0	0	111.4	D372 L373 F377 A378 C379 W386	D372-P375 WeakPolarHBondContact O-CD 3.07Å; L373-P375 VanDerWaalsContact C-N 3.28Å; P375-F377 VanDerWaalsContact C-N 3.33Å; P375-F377 PolarHBondContact O-N 2.91Å; P375-A378 PolarHBondContact O-N 3.21Å; P375-C379 PolarHBondContact O-N 3.48Å; P375-C379 PolarHBondContact O-SG 3.25Å; P375-C379 VanDerWaalsContact O-SG 3.36Å; P375-W386 VanDerWaalsContact CA-CZ3 3.47Å; P375-W386 HydrophobicContact CB-CD2 3.91Å; P375-W386 HydrophobicContact CB-CE3 3.62Å; P375-W386 HydrophobicContact CB-CH2 3.92Å; P375-W386 HydrophobicContact CB-CZ2 4.15Å; P375-W386 HydrophobicContact CB-CZ3 3.65Å; P375-W386 HydrophobicContact CG-CH2 4.29Å; P375-W386 HydrophobicContact CG-CZ2 4.45Å; P375-W386 HydrophobicContact CG-CZ3 4.45Å
376	L	86.8	Confident	88	Confident	32 Å²	32	34.4 Å²	34.4	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-43.2	176.5	178.2	61.2	0	0	0	110.8	L373 A378 C379 M380 Y413 Q416 I417 L420	L373-L376 PolarHBondContact O-N 3.04Å; L373-L376 VanDerWaalsContact O-N 3.14Å; L376-A378 PolarHBondContact O-N 3.35Å; L376-C379 WeakPolarHBondContact O-CB 3.21Å; L376-C379 PolarHBondContact O-N 3.2Å; L376-M380 HydrophobicContact CD1-SD 4.35Å; L376-M380 HydrophobicContact CG-SD 3.99Å; L376-M380 WeakPolarHBondContact O-CG 3.43Å; L376-M380 PolarHBondContact O-N 2.94Å; L376-Y413 HydrophobicContact CD1-CG 4.48Å; L376-Q416 HydrophobicContact CD2-CB 3.58Å; L376-I417 HydrophobicContact CD1-CG1 4.19Å; L376-I417 HydrophobicContact CD2-CG1 3.96Å; L376-I417 HydrophobicContact CG-CG1 4.43Å; L376-L420 HydrophobicContact CD2-CD2 4.33Å; L376-L420 HydrophobicContact CG-CD2 4.19Å
377	F	89.7	Confident	87.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-44.1	176.6	-177	-125.1	0	0	0	112.6	L349 L368 A370 L373 Y374 P375 C379 M380 L381 L420 V424 M428	L349-F377 HydrophobicContact CD2-CD1 4.17Å; L349-F377 HydrophobicContact CD2-CE1 3.58Å; L349-F377 HydrophobicContact CD2-CZ 4.46Å; L368-F377 HydrophobicContact CB-CE1 4.09Å; L368-F377 HydrophobicContact CB-CZ 4.2Å; L368-F377 HydrophobicContact CD1-CE1 4.22Å; A370-F377 HydrophobicContact CB-CB 3.67Å; A370-F377 HydrophobicContact CB-CD1 3.52Å; A370-F377 HydrophobicContact CB-CD2 4.27Å; A370-F377 HydrophobicContact CB-CE1 4.11Å; A370-F377 HydrophobicContact CB-CG 3.58Å; L373-F377 PolarHBondContact O-N 3.35Å; Y374-F377 PolarHBondContact O-N 2.91Å; P375-F377 VanDerWaalsContact C-N 3.33Å; P375-F377 PolarHBondContact O-N 2.91Å; F377-C379 VanDerWaalsContact C-N 3.33Å; F377-C379 PolarHBondContact O-N 3.38Å; F377-M380 PolarHBondContact O-N 2.97Å; F377-L381 HydrophobicContact CD1-CD1 3.77Å; F377-L381 HydrophobicContact CD2-CD1 4.21Å; F377-L381 HydrophobicContact CD2-CG 4.25Å; F377-L381 HydrophobicContact CE1-CD1 3.46Å; F377-L381 VanDerWaalsContact CE1-CD1 3.46Å; F377-L381 HydrophobicContact CE1-CG 4.43Å; F377-L381 HydrophobicContact CE2-CD1 3.9Å; F377-L381 HydrophobicContact CE2-CD2 4.37Å; F377-L381 HydrophobicContact CE2-CG 4Å; F377-L381 HydrophobicContact CG-CD1 4.17Å; F377-L381 HydrophobicContact CZ-CD1 3.55Å; F377-L381 HydrophobicContact CZ-CD2 4.44Å; F377-L381 HydrophobicContact CZ-CG 4.13Å; F377-L381 WeakPolarHBondContact O-CB 3.44Å; F377-L381 WeakPolarHBondContact O-CG 3.32Å; F377-L381 PolarHBondContact O-N 2.88Å; F377-L420 HydrophobicContact CB-CD1 4.18Å; F377-L420 HydrophobicContact CB-CD2 3.8Å; F377-L420 HydrophobicContact CD2-CD1 4.25Å; F377-L420 HydrophobicContact CD2-CD2 4.09Å; F377-L420 HydrophobicContact CD2-CG 4.48Å; F377-L420 HydrophobicContact CG-CD1 4.44Å; F377-L420 HydrophobicContact CG-CD2 4.42Å; F377-V424 HydrophobicContact CD2-CG1 4.43Å; F377-V424 HydrophobicContact CE2-CG1 4.08Å; F377-M428 HydrophobicContact CE2-CE 4.3Å; F377-M428 HydrophobicContact CE2-CG 3.7Å; F377-M428 HydrophobicContact CE2-SD 3.85Å; F377-M428 HydrophobicContact CZ-CE 3.58Å; F377-M428 HydrophobicContact CZ-CG 3.88Å; F377-M428 HydrophobicContact CZ-SD 3.74Å
378	A	88.5	Confident	86.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-40.4	175.1	0	0	0	0	0	111.9	L353 V361 Y374 P375 L376 L381 T382 W386 V389	L353-A378 HydrophobicContact CD2-CB 4.07Å; V361-A378 HydrophobicContact CG1-CB 4.29Å; Y374-A378 WeakPolarHBondContact O-CB 3.38Å; Y374-A378 PolarHBondContact O-N 3.36Å; P375-A378 PolarHBondContact O-N 3.21Å; L376-A378 PolarHBondContact O-N 3.35Å; A378-L381 PolarHBondContact O-N 3.47Å; A378-T382 WeakPolarHBondContact O-CB 3.42Å; A378-T382 VanDerWaalsContact O-CG2 3.23Å; A378-T382 WeakPolarHBondContact O-CG2 3.48Å; A378-T382 PolarHBondContact O-N 3.46Å; A378-T382 PolarHBondContact O-OG1 2.92Å; A378-W386 HydrophobicContact CB-CZ3 4.34Å; A378-V389 HydrophobicContact CB-CG1 4.13Å
379	C	84.9	Confident	85.9	Confident	20 Å²	20	29.2 Å²	29.2	14%	0.135	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-47.3	174.2	-71.4	0	0	0	0	112.1	P375 L376 F377 L381 T382 A383 R384 W386	P375-C379 PolarHBondContact O-N 3.48Å; P375-C379 PolarHBondContact O-SG 3.25Å; P375-C379 VanDerWaalsContact O-SG 3.36Å; L376-C379 WeakPolarHBondContact O-CB 3.21Å; L376-C379 PolarHBondContact O-N 3.2Å; F377-C379 VanDerWaalsContact C-N 3.33Å; F377-C379 PolarHBondContact O-N 3.38Å; C379-L381 PolarHBondContact O-N 3.43Å; C379-T382 PolarHBondContact O-N 3.12Å; C379-T382 PolarHBondContact O-OG1 3.44Å; C379-A383 VanDerWaalsContact O-CA 3.26Å; C379-A383 WeakPolarHBondContact O-CA 3.22Å; C379-A383 PolarHBondContact O-N 3.03Å; C379-R384 WeakPolarHBondContact CA-O 3.4Å; C379-R384 WeakPolarHBondContact CB-O 3.08Å; C379-R384 PolarHBondContact O-N 3.45Å; C379-R384 PolarHBondContact SG-O 3.07Å; C379-W386 VanDerWaalsContact SG-CA 3.57Å; C379-W386 PolarHBondContact SG-N 3.02Å
380	M	83.7	Confident	85.4	Confident	11 Å²	11	31.9 Å²	31.9	5%	0.054	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-44.5	177	-72.2	162.3	61.9	0	0	112.1	L106 L376 F377 T382 I417 L420 L421 L432 R439	L106-M380 HydrophobicContact CD1-CE 4.37Å; L106-M380 HydrophobicContact CD2-CB 4.22Å; L106-M380 HydrophobicContact CD2-CE 3.43Å; L106-M380 VanDerWaalsContact CD2-CE 3.43Å; L106-M380 HydrophobicContact CD2-CG 3.87Å; L106-M380 HydrophobicContact CD2-SD 4.29Å; L106-M380 HydrophobicContact CG-CE 4.48Å; L376-M380 HydrophobicContact CD1-SD 4.35Å; L376-M380 HydrophobicContact CG-SD 3.99Å; L376-M380 WeakPolarHBondContact O-CG 3.43Å; L376-M380 PolarHBondContact O-N 2.94Å; F377-M380 PolarHBondContact O-N 2.97Å; M380-T382 VanDerWaalsContact C-N 3.3Å; M380-T382 PolarHBondContact O-N 3.33Å; M380-I417 HydrophobicContact CE-CG2 4.24Å; M380-I417 HydrophobicContact SD-CG1 4.25Å; M380-I417 HydrophobicContact SD-CG2 4.48Å; M380-L420 HydrophobicContact CE-CD2 3.95Å; M380-L420 HydrophobicContact SD-CD2 3.41Å; M380-L420 WeakPolarHBondContact SD-CD2 3.32Å; M380-L421 HydrophobicContact CE-CD2 3.79Å; M380-L421 HydrophobicContact CE-CG 4.28Å; M380-L432 HydrophobicContact CB-CD2 4.46Å; M380-L432 HydrophobicContact CE-CD1 4.06Å; M380-R439 PolarHBondContact O-NH1 2.71Å; M380-R439 PolarHBondContact O-NH2 2.92Å
381	L	85.6	Confident	84.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-30.1	-179.8	-80	175.5	0	0	0	114	Y346 L349 F377 A378 C379 M428 L432 R439	Y346-L381 HydrophobicContact CE2-CD2 3.79Å; L349-L381 HydrophobicContact CD2-CD1 3.41Å; L349-L381 VanDerWaalsContact CD2-CD1 3.41Å; L349-L381 HydrophobicContact CG-CD1 4.42Å; F377-L381 HydrophobicContact CD1-CD1 3.77Å; F377-L381 HydrophobicContact CD2-CD1 4.21Å; F377-L381 HydrophobicContact CD2-CG 4.25Å; F377-L381 HydrophobicContact CE1-CD1 3.46Å; F377-L381 VanDerWaalsContact CE1-CD1 3.46Å; F377-L381 HydrophobicContact CE1-CG 4.43Å; F377-L381 HydrophobicContact CE2-CD1 3.9Å; F377-L381 HydrophobicContact CE2-CD2 4.37Å; F377-L381 HydrophobicContact CE2-CG 4Å; F377-L381 HydrophobicContact CG-CD1 4.17Å; F377-L381 HydrophobicContact CZ-CD1 3.55Å; F377-L381 HydrophobicContact CZ-CD2 4.44Å; F377-L381 HydrophobicContact CZ-CG 4.13Å; F377-L381 WeakPolarHBondContact O-CB 3.44Å; F377-L381 WeakPolarHBondContact O-CG 3.32Å; F377-L381 PolarHBondContact O-N 2.88Å; A378-L381 PolarHBondContact O-N 3.47Å; C379-L381 PolarHBondContact O-N 3.43Å; L381-M428 HydrophobicContact CD2-SD 3.89Å; L381-L432 HydrophobicContact CD2-CD2 3.69Å; L381-L432 HydrophobicContact CG-CD2 4.24Å; L381-R439 PolarHBondContact O-NH2 3.01Å
382	T	81.9	Confident	83.9	Confident	14 Å²	14	39.1 Å²	39.1	9%	0.086	19%	0.191	C	C	.	.	H	α-helix	trans	-103.2	-16.1	-175.3	61.3	0	0	0	0	112.6	L353 A378 C379 M380 R384 I393	L353-T382 HydrophobicContact CD1-CG2 3.8Å; L353-T382 HydrophobicContact CD2-CG2 4.32Å; A378-T382 WeakPolarHBondContact O-CB 3.42Å; A378-T382 VanDerWaalsContact O-CG2 3.23Å; A378-T382 WeakPolarHBondContact O-CG2 3.48Å; A378-T382 PolarHBondContact O-N 3.46Å; A378-T382 PolarHBondContact O-OG1 2.92Å; C379-T382 PolarHBondContact O-N 3.12Å; C379-T382 PolarHBondContact O-OG1 3.44Å; M380-T382 VanDerWaalsContact C-N 3.3Å; M380-T382 PolarHBondContact O-N 3.33Å; T382-R384 PolarHBondContact O-N 2.92Å; T382-R384 PolarHBondContact OG1-N 2.94Å; T382-I393 HydrophobicContact CG2-CD1 3.41Å; T382-I393 VanDerWaalsContact CG2-CD1 3.41Å
383	A	78.2	Confident	82.9	Confident	5 Å²	5	33.6 Å²	33.6	4%	0.041	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	43.3	-165.1	0	0	0	0	0	111.8	C379 I406 R439	C379-A383 VanDerWaalsContact O-CA 3.26Å; C379-A383 WeakPolarHBondContact O-CA 3.22Å; C379-A383 PolarHBondContact O-N 3.03Å; A383-I406 VanDerWaalsContact O-CD1 3.32Å; A383-I406 WeakPolarHBondContact O-CD1 3.29Å; A383-R439 VanDerWaalsContact CB-CZ 3.45Å
384	R	78.9	Confident	81.6	Confident	11 Å²	11	33.2 Å²	33.2	4%	0.042	16%	0.163	C	C	.	.			trans	-126.8	151.3	176.9	-57.8	-57.9	-62.8	-94.5	2.1	110.2	C379 T382 S388 V389 I393 A396 P397 E402	C379-R384 WeakPolarHBondContact CA-O 3.4Å; C379-R384 WeakPolarHBondContact CB-O 3.08Å; C379-R384 PolarHBondContact O-N 3.45Å; C379-R384 PolarHBondContact SG-O 3.07Å; T382-R384 PolarHBondContact O-N 2.92Å; T382-R384 PolarHBondContact OG1-N 2.94Å; R384-S388 PolarHBondContact NH2-OG 3.38Å; R384-V389 HydrophobicContact CB-CG2 4.06Å; R384-I393 HydrophobicContact CG-CG1 4.37Å; R384-I393 HydrophobicContact CG-CG2 3.98Å; R384-I393 PolarHBondContact NH1-O 2.81Å; R384-A396 PolarHBondContact NH1-O 3.42Å; R384-A396 PolarHBondContact NH2-O 3.48Å; R384-P397 PolarHBondContact NH2-O 2.85Å; R384-E402 IonicContact CZ-OE2 3.18Å; R384-E402 IonicContact NE-OE1 3.32Å; R384-E402 PolarHBondContact NE-OE1 3.45Å; R384-E402 IonicContact NE-OE2 2.92Å; R384-E402 PolarHBondContact NE-OE2 3.12Å; R384-E402 IonicContact NH2-OE1 2.67Å; R384-E402 IonicContact NH2-OE2 2.6Å; R384-E402 PolarHBondContact NH2-OE2 2.95Å
385	S	80	Confident	80.1	Confident	14 Å²	14	38 Å²	38	10%	0.098	19%	0.187	C	C	.	.			trans	-62.1	155.7	172.4	65.8	0	0	0	0	110.8	N387 S388 V389 E402	S385-N387 PolarHBondContact O-N 2.67Å; S385-S388 PolarHBondContact O-N 3.2Å; S385-S388 VanDerWaalsContact O-N 3.07Å; S385-S388 PolarHBondContact OG-N 2.95Å; S385-S388 PolarHBondContact OG-OG 3.38Å; S385-V389 WeakPolarHBondContact O-CG2 3.26Å; S385-V389 PolarHBondContact O-N 3.37Å; S385-E402 WeakPolarHBondContact CB-OE1 3.41Å; S385-E402 PolarHBondContact N-OE1 3.02Å; S385-E402 PolarHBondContact OG-OE1 3.35Å
386	W	82.1	Confident	78.8	Confident	79 Å²	79	37.5 Å²	37.5	30%	0.299	19%	0.186	S	C	.	.	H	α-helix	trans	-58.3	-36.7	177	179.5	-116.5	0	0	0	111.8	M358 Y374 P375 A378 C379 S388 V389 N390	M358-W386 HydrophobicContact SD-CH2 4.04Å; Y374-W386 HydrophobicContact CD2-CH2 4.49Å; Y374-W386 AromaticContact CE2-CH2 3.77Å; Y374-W386 HydrophobicContact CE2-CH2 3.77Å; P375-W386 VanDerWaalsContact CA-CZ3 3.47Å; P375-W386 HydrophobicContact CB-CD2 3.91Å; P375-W386 HydrophobicContact CB-CE3 3.62Å; P375-W386 HydrophobicContact CB-CH2 3.92Å; P375-W386 HydrophobicContact CB-CZ2 4.15Å; P375-W386 HydrophobicContact CB-CZ3 3.65Å; P375-W386 HydrophobicContact CG-CH2 4.29Å; P375-W386 HydrophobicContact CG-CZ2 4.45Å; P375-W386 HydrophobicContact CG-CZ3 4.45Å; A378-W386 HydrophobicContact CB-CZ3 4.34Å; C379-W386 VanDerWaalsContact SG-CA 3.57Å; C379-W386 PolarHBondContact SG-N 3.02Å; W386-S388 PolarHBondContact O-N 3.44Å; W386-V389 HydrophobicContact CE3-CB 4.21Å; W386-V389 HydrophobicContact CE3-CG1 4.17Å; W386-V389 HydrophobicContact CZ3-CB 4.45Å; W386-V389 HydrophobicContact CZ3-CG1 3.91Å; W386-V389 PolarHBondContact O-N 3.2Å; W386-N390 VanDerWaalsContact O-CB 3.29Å; W386-N390 WeakPolarHBondContact O-CB 3.47Å; W386-N390 PolarHBondContact O-N 3.5Å
387	N	80.1	Confident	77.6	Confident	101 Å²	101	41 Å²	41	54%	0.54	21%	0.21	S	C	.	.	H	α-helix	trans	-59.3	-46.1	174.6	-71.9	-28.9	0	0	0	112.2	S385 N390 R391	S385-N387 PolarHBondContact O-N 2.67Å; N387-N390 PolarHBondContact O-N 3.14Å; N387-R391 WeakPolarHBondContact O-CB 3.28Å; N387-R391 WeakPolarHBondContact O-CG 3.23Å; N387-R391 PolarHBondContact O-N 3.45Å
388	S	81.1	Confident	76.4	Confident	12 Å²	12	42.8 Å²	42.8	8%	0.084	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-40.2	175.9	-66	0	0	0	0	112.3	R384 S385 W386 G392 I393 E402	R384-S388 PolarHBondContact NH2-OG 3.38Å; S385-S388 PolarHBondContact O-N 3.2Å; S385-S388 VanDerWaalsContact O-N 3.07Å; S385-S388 PolarHBondContact OG-N 2.95Å; S385-S388 PolarHBondContact OG-OG 3.38Å; W386-S388 PolarHBondContact O-N 3.44Å; S388-G392 CarbonylContact O-C 3.56Å; S388-G392 WeakPolarHBondContact O-CA 3.47Å; S388-G392 PolarHBondContact O-N 3.27Å; S388-I393 PolarHBondContact O-N 3.35Å; S388-E402 WeakPolarHBondContact CB-OE1 3.44Å; S388-E402 PolarHBondContact OG-OE1 3.43Å
389	V	82.4	Confident	75.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-45.9	176.4	173.4	0	0	0	0	110.8	L353 M358 A378 R384 S385 W386 G392 I393	L353-V389 HydrophobicContact CD2-CG1 3.89Å; M358-V389 HydrophobicContact CE-CG1 4.4Å; A378-V389 HydrophobicContact CB-CG1 4.13Å; R384-V389 HydrophobicContact CB-CG2 4.06Å; S385-V389 WeakPolarHBondContact O-CG2 3.26Å; S385-V389 PolarHBondContact O-N 3.37Å; W386-V389 HydrophobicContact CE3-CB 4.21Å; W386-V389 HydrophobicContact CE3-CG1 4.17Å; W386-V389 HydrophobicContact CZ3-CB 4.45Å; W386-V389 HydrophobicContact CZ3-CG1 3.91Å; W386-V389 PolarHBondContact O-N 3.2Å; V389-G392 PolarHBondContact O-N 3.32Å; V389-I393 HydrophobicContact CG2-CG1 4.39Å
390	N	82.7	Confident	74.2	Confident	82 Å²	82	48.2 Å²	48.2	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-74.2	-31.4	-175.9	-165.1	33.3	0	0	0	113.2	T356 W386 N387	T356-N390 WeakPolarHBondContact CG2-O 3.49Å; W386-N390 VanDerWaalsContact O-CB 3.29Å; W386-N390 WeakPolarHBondContact O-CB 3.47Å; W386-N390 PolarHBondContact O-N 3.5Å; N387-N390 PolarHBondContact O-N 3.14Å
391	R	78.3	Confident	73.4	Confident	187 Å²	187	52.5 Å²	52.5	71%	0.706	29%	0.288	S	S	*	.	H	α-helix	trans	-79.4	-24.4	172.9	-70.1	179.9	-176.2	-176.7	2.1	112.7	N387	N387-R391 WeakPolarHBondContact O-CB 3.28Å; N387-R391 WeakPolarHBondContact O-CG 3.23Å; N387-R391 PolarHBondContact O-N 3.45Å
392	G	75.8	Confident	72.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.29	C	S	.	.			trans	114.1	119.3	-175.4	0	0	0	0	0	111.2	T356 S388 V389 S394 Q395	T356-G392 WeakPolarHBondContact OG1-CA 3.31Å; S388-G392 CarbonylContact O-C 3.56Å; S388-G392 WeakPolarHBondContact O-CA 3.47Å; S388-G392 PolarHBondContact O-N 3.27Å; V389-G392 PolarHBondContact O-N 3.32Å; G392-S394 PolarHBondContact O-N 3.43Å; G392-S394 VanDerWaalsContact O-N 3.14Å; G392-Q395 PolarHBondContact O-N 3.48Å
393	I	70	Confident	71.8	Confident	10 Å²	10	53.3 Å²	53.3	5%	0.051	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.2	-174.8	-62.1	161.8	0	0	0	112.1	L353 T382 R384 S388 V389 Q395 F454	L353-I393 HydrophobicContact CB-CD1 4.11Å; L353-I393 HydrophobicContact CD2-CD1 4.43Å; T382-I393 HydrophobicContact CG2-CD1 3.41Å; T382-I393 VanDerWaalsContact CG2-CD1 3.41Å; R384-I393 HydrophobicContact CG-CG1 4.37Å; R384-I393 HydrophobicContact CG-CG2 3.98Å; R384-I393 PolarHBondContact NH1-O 2.81Å; S388-I393 PolarHBondContact O-N 3.35Å; V389-I393 HydrophobicContact CG2-CG1 4.39Å; I393-Q395 VanDerWaalsContact C-N 3.35Å; I393-F454 HydrophobicContact CB-CE1 4.41Å; I393-F454 HydrophobicContact CB-CE2 4.33Å; I393-F454 HydrophobicContact CB-CZ 4.04Å; I393-F454 HydrophobicContact CD1-CE2 3.64Å; I393-F454 HydrophobicContact CD1-CZ 3.78Å; I393-F454 HydrophobicContact CG2-CD1 4.32Å; I393-F454 HydrophobicContact CG2-CD2 4.03Å; I393-F454 HydrophobicContact CG2-CE1 4.14Å; I393-F454 HydrophobicContact CG2-CE2 3.87Å; I393-F454 HydrophobicContact CG2-CG 4.29Å; I393-F454 HydrophobicContact CG2-CZ 3.93Å
394	S	62.9	Low	71	Confident	35 Å²	35	57.9 Å²	57.9	25%	0.245	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-21.9	177.9	50.6	0	0	0	0	113.5	G392 H496	G392-S394 PolarHBondContact O-N 3.43Å; G392-S394 VanDerWaalsContact O-N 3.14Å; S394-H496 VanDerWaalsContact CB-NE2 3.33Å; S394-H496 WeakPolarHBondContact CB-NE2 3.38Å; S394-H496 PolarHBondContact O-CE1 3.02Å; S394-H496 PolarHBondContact O-NE2 2.93Å
395	Q	60.9	Low	70.5	Confident	147 Å²	147	61.7 Å²	61.7	69%	0.687	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-24.2	-174.4	-58	-171.6	12.2	0	0	113.2	G392 I393	G392-Q395 PolarHBondContact O-N 3.48Å; I393-Q395 VanDerWaalsContact C-N 3.35Å
396	A	60.8	Low	69.9	Low	27 Å²	27	62.3 Å²	62.3	22%	0.223	34%	0.336	C	S	.	.	S	Bend	trans	-100.7	127.6	179.7	0	0	0	0	0	110.9	R384	R384-A396 PolarHBondContact NH1-O 3.42Å; R384-A396 PolarHBondContact NH2-O 3.48Å
397	P	61.6	Low	69.1	Low	104 Å²	104	62.3 Å²	62.3	68%	0.675	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-63.4	145.4	172.6	27.6	-32.9	0	0	0	110.4	R384 T399	R384-P397 PolarHBondContact NH2-O 2.85Å; P397-T399 HydrophobicContact CG-CG2 4.49Å; P397-T399 PolarHBondContact O-N 3.07Å
398	V	65.1	Low	68.4	Low	39 Å²	39	61.9 Å²	61.9	24%	0.236	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-71.6	124.7	169.9	-178.8	0	0	0	0	107.5	R448	V398-R448 HydrophobicContact CG1-CG 4.49Å
399	T	64.7	Low	67.6	Low	56 Å²	56	63.8 Å²	63.8	34%	0.344	34%	0.342	S	S	.	.			trans	-118.8	147.4	-179.2	60.1	0	0	0	0	110.8	P397 T401 E402 D403	P397-T399 HydrophobicContact CG-CG2 4.49Å; P397-T399 PolarHBondContact O-N 3.07Å; T399-T401 WeakPolarHBondContact CB-OG1 3.36Å; T399-T401 PolarHBondContact O-N 3.34Å; T399-T401 PolarHBondContact OG1-OG1 3.06Å; T399-E402 WeakPolarHBondContact O-CB 3.34Å; T399-E402 PolarHBondContact O-N 3.27Å; T399-E402 WeakPolarHBondContact OG1-CB 3.46Å; T399-E402 PolarHBondContact OG1-N 3.23Å; T399-D403 PolarHBondContact O-N 2.69Å
400	A	62.3	Low	66.6	Low	77 Å²	77	64 Å²	64	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-61.2	-27.8	176.2	0	0	0	0	0	112.5	D403 L404	A400-D403 PolarHBondContact O-N 3.27Å; A400-L404 PolarHBondContact O-N 3.15Å
401	T	65.4	Low	65.6	Low	101 Å²	101	61 Å²	61	62%	0.62	33%	0.331	S	S	*	.	H	α-helix	trans	-67.8	-38.4	173.5	45.8	0	0	0	0	112.4	T399 D403 L404 E405	T399-T401 WeakPolarHBondContact CB-OG1 3.36Å; T399-T401 PolarHBondContact O-N 3.34Å; T399-T401 PolarHBondContact OG1-OG1 3.06Å; T401-D403 VanDerWaalsContact C-N 3.32Å; T401-D403 PolarHBondContact O-N 3.02Å; T401-L404 PolarHBondContact O-N 2.71Å; T401-E405 WeakPolarHBondContact O-CB 3.19Å; T401-E405 PolarHBondContact O-N 3.35Å
402	E	70	Confident	65.1	Low	7 Å²	7	55.2 Å²	55.2	3%	0.033	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-36.9	175.5	-177.8	173.5	-148.1	0	0	111.1	R384 S385 S388 T399 E405 I406	R384-E402 IonicContact CZ-OE2 3.18Å; R384-E402 IonicContact NE-OE1 3.32Å; R384-E402 PolarHBondContact NE-OE1 3.45Å; R384-E402 IonicContact NE-OE2 2.92Å; R384-E402 PolarHBondContact NE-OE2 3.12Å; R384-E402 IonicContact NH2-OE1 2.67Å; R384-E402 IonicContact NH2-OE2 2.6Å; R384-E402 PolarHBondContact NH2-OE2 2.95Å; S385-E402 WeakPolarHBondContact CB-OE1 3.41Å; S385-E402 PolarHBondContact N-OE1 3.02Å; S385-E402 PolarHBondContact OG-OE1 3.35Å; S388-E402 WeakPolarHBondContact CB-OE1 3.44Å; S388-E402 PolarHBondContact OG-OE1 3.43Å; T399-E402 WeakPolarHBondContact O-CB 3.34Å; T399-E402 PolarHBondContact O-N 3.27Å; T399-E402 WeakPolarHBondContact OG1-CB 3.46Å; T399-E402 PolarHBondContact OG1-N 3.23Å; E402-E405 PolarHBondContact O-N 2.96Å; E402-I406 HydrophobicContact CG-CD1 3.97Å; E402-I406 WeakPolarHBondContact O-CD1 3Å; E402-I406 WeakPolarHBondContact O-CG1 3.18Å; E402-I406 PolarHBondContact O-N 3.02Å
403	D	63.7	Low	64.9	Low	25 Å²	25	60.6 Å²	60.6	13%	0.134	34%	0.335	C	S	.	.	H	α-helix	trans	-65.5	-44.2	176.5	-73.8	-26.8	0	0	0	112.9	T399 A400 T401 E405 I406 R407 R448	T399-D403 PolarHBondContact O-N 2.69Å; A400-D403 PolarHBondContact O-N 3.27Å; T401-D403 VanDerWaalsContact C-N 3.32Å; T401-D403 PolarHBondContact O-N 3.02Å; D403-E405 VanDerWaalsContact C-N 3.34Å; D403-I406 PolarHBondContact O-N 3.31Å; D403-R407 WeakPolarHBondContact O-CB 3.21Å; D403-R407 WeakPolarHBondContact O-CG 3.44Å; D403-R407 PolarHBondContact O-N 3.32Å; D403-R448 VanDerWaalsContact CG-CZ 3.41Å; D403-R448 IonicContact OD1-CZ 3.03Å; D403-R448 IonicContact OD1-NE 3.46Å; D403-R448 IonicContact OD1-NH1 2.7Å; D403-R448 PolarHBondContact OD1-NH1 3.48Å; D403-R448 IonicContact OD1-NH2 2.69Å; D403-R448 PolarHBondContact OD1-NH2 3.49Å; D403-R448 IonicContact OD2-CZ 3.27Å; D403-R448 VanDerWaalsContact OD2-CZ 3.23Å; D403-R448 IonicContact OD2-NE 3.25Å; D403-R448 IonicContact OD2-NH1 3.89Å; D403-R448 PolarHBondContact OD2-NH1 3.31Å; D403-R448 IonicContact OD2-NH2 2.69Å
404	L	63.3	Low	65.1	Low	101 Å²	101	61.9 Å²	61.9	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-41.4	174.6	-76.6	164.6	0	0	0	111.1	A400 T401 R407 N408	A400-L404 PolarHBondContact O-N 3.15Å; T401-L404 PolarHBondContact O-N 2.71Å; L404-R407 PolarHBondContact O-N 2.87Å; L404-N408 WeakPolarHBondContact O-CB 3.39Å; L404-N408 PolarHBondContact O-N 2.89Å; L404-N408 PolarHBondContact O-ND2 3.44Å
405	E	67.3	Low	65.7	Low	91 Å²	91	62 Å²	62	43%	0.425	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-47.6	176.3	-175.8	-178.7	174.9	0	0	111.3	T401 E402 D403 N409	T401-E405 WeakPolarHBondContact O-CB 3.19Å; T401-E405 PolarHBondContact O-N 3.35Å; E402-E405 PolarHBondContact O-N 2.96Å; D403-E405 VanDerWaalsContact C-N 3.34Å; E405-N409 VanDerWaalsContact CG-ND2 3.28Å; E405-N409 WeakPolarHBondContact CG-ND2 3.23Å; E405-N409 WeakPolarHBondContact O-CB 3.4Å; E405-N409 PolarHBondContact O-N 3.37Å; E405-N409 PolarHBondContact O-ND2 3.47Å; E405-N409 VanDerWaalsContact O-ND2 3.07Å
406	I	68.3	Low	66.8	Low	27 Å²	27	58.4 Å²	58.4	14%	0.138	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-46.1	178.9	-67.6	162.5	0	0	0	111	Y105 A383 E402 D403 A410	Y105-I406 HydrophobicContact CD1-CG2 4.39Å; A383-I406 VanDerWaalsContact O-CD1 3.32Å; A383-I406 WeakPolarHBondContact O-CD1 3.29Å; E402-I406 HydrophobicContact CG-CD1 3.97Å; E402-I406 WeakPolarHBondContact O-CD1 3Å; E402-I406 WeakPolarHBondContact O-CG1 3.18Å; E402-I406 PolarHBondContact O-N 3.02Å; D403-I406 PolarHBondContact O-N 3.31Å; I406-A410 WeakPolarHBondContact O-CB 3.42Å; I406-A410 PolarHBondContact O-N 2.92Å
407	R	64.6	Low	67.8	Low	78 Å²	78	57.3 Å²	57.3	29%	0.294	32%	0.315	S	S	.	.	H	α-helix	trans	-67.2	-46.7	-179	-72.5	-179.5	-176.6	-166.1	3.3	112.5	Y105 D403 L404 N409 A410	Y105-R407 HydrophobicContact CD1-CG 4.18Å; Y105-R407 HydrophobicContact CE1-CG 4.24Å; Y105-R407 PolarHBondContact OH-NH2 3.32Å; D403-R407 WeakPolarHBondContact O-CB 3.21Å; D403-R407 WeakPolarHBondContact O-CG 3.44Å; D403-R407 PolarHBondContact O-N 3.32Å; L404-R407 PolarHBondContact O-N 2.87Å; R407-N409 VanDerWaalsContact C-N 3.31Å; R407-N409 PolarHBondContact O-N 3.42Å; R407-A410 WeakPolarHBondContact O-CB 3.46Å; R407-A410 PolarHBondContact O-N 3.21Å
408	N	64.6	Low	68.7	Low	93 Å²	93	52.5 Å²	52.5	50%	0.497	29%	0.285	S	S	.	.	H	α-helix	trans	-65.8	-37.4	179	-70.3	-18.6	0	0	0	111.3	L404	L404-N408 WeakPolarHBondContact O-CB 3.39Å; L404-N408 PolarHBondContact O-N 2.89Å; L404-N408 PolarHBondContact O-ND2 3.44Å
409	N	65.1	Low	69.6	Low	51 Å²	51	55 Å²	55	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-73.8	-26.2	176.1	-71.9	-27.9	0	0	0	113	E405 R407 A411 N412 Y413	E405-N409 VanDerWaalsContact CG-ND2 3.28Å; E405-N409 WeakPolarHBondContact CG-ND2 3.23Å; E405-N409 WeakPolarHBondContact O-CB 3.4Å; E405-N409 PolarHBondContact O-N 3.37Å; E405-N409 PolarHBondContact O-ND2 3.47Å; E405-N409 VanDerWaalsContact O-ND2 3.07Å; R407-N409 VanDerWaalsContact C-N 3.31Å; R407-N409 PolarHBondContact O-N 3.42Å; N409-A411 PolarHBondContact O-N 3.3Å; N409-N412 CarbonylContact O-C 3.43Å; N409-N412 WeakPolarHBondContact O-CA 3.2Å; N409-N412 WeakPolarHBondContact O-CB 3.28Å; N409-N412 PolarHBondContact O-N 2.92Å; N409-Y413 HydrophobicContact CB-CD2 4.01Å; N409-Y413 HydrophobicContact CB-CE2 3.79Å; N409-Y413 WeakPolarHBondContact O-CD2 3.46Å; N409-Y413 PolarHBondContact O-N 3.25Å
410	A	61.5	Low	70.7	Confident	6 Å²	6	52.4 Å²	52.4	5%	0.05	28%	0.277	C	S	.	.	H	α-helix	trans	-57.8	-36.8	176.1	0	0	0	0	0	112	I406 R407 N412 Y413 L414 I417	I406-A410 WeakPolarHBondContact O-CB 3.42Å; I406-A410 PolarHBondContact O-N 2.92Å; R407-A410 WeakPolarHBondContact O-CB 3.46Å; R407-A410 PolarHBondContact O-N 3.21Å; A410-N412 VanDerWaalsContact C-N 3.25Å; A410-N412 PolarHBondContact O-N 3.32Å; A410-Y413 CarbonylContact O-C 3.59Å; A410-Y413 PolarHBondContact O-N 3.09Å; A410-L414 PolarHBondContact O-N 3.49Å; A410-I417 HydrophobicContact CB-CD1 3.97Å
411	A	61.9	Low	71.9	Confident	18 Å²	18	48.9 Å²	48.9	15%	0.149	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-29.5	173.7	0	0	0	0	0	113	R71 N409	R71-A411 PolarHBondContact NH1-O 2.78Å; R71-A411 PolarHBondContact NH2-O 3.18Å; R71-A411 VanDerWaalsContact NH2-O 3.12Å; N409-A411 PolarHBondContact O-N 3.3Å
412	N	66.8	Low	72.8	Confident	67 Å²	67	47.2 Å²	47.2	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-80.3	-29.2	175.7	-65	-26.1	0	0	0	112.3	L68 R71 N409 A410	L68-N412 WeakPolarHBondContact CD2-OD1 3.41Å; R71-N412 PolarHBondContact NH2-OD1 2.65Å; R71-N412 VanDerWaalsContact NH2-OD1 3.14Å; N409-N412 CarbonylContact O-C 3.43Å; N409-N412 WeakPolarHBondContact O-CA 3.2Å; N409-N412 WeakPolarHBondContact O-CB 3.28Å; N409-N412 PolarHBondContact O-N 2.92Å; A410-N412 VanDerWaalsContact C-N 3.25Å; A410-N412 PolarHBondContact O-N 3.32Å
413	Y	72.5	Confident	73.6	Confident	113 Å²	113	52.4 Å²	52.4	44%	0.443	26%	0.259	S	S	.	.	S	Bend	trans	-93.8	8.8	176.5	-62.6	-60.6	0	0	0	113.8	L376 N409 A410 P415 Q416 I417	L376-Y413 HydrophobicContact CD1-CG 4.48Å; N409-Y413 HydrophobicContact CB-CD2 4.01Å; N409-Y413 HydrophobicContact CB-CE2 3.79Å; N409-Y413 WeakPolarHBondContact O-CD2 3.46Å; N409-Y413 PolarHBondContact O-N 3.25Å; A410-Y413 CarbonylContact O-C 3.59Å; A410-Y413 PolarHBondContact O-N 3.09Å; Y413-P415 VanDerWaalsContact C-CD 3.47Å; Y413-P415 VanDerWaalsContact C-N 3.33Å; Y413-Q416 VanDerWaalsContact CA-OE1 3.27Å; Y413-Q416 CarbonylContact O-C 3.43Å; Y413-Q416 WeakPolarHBondContact O-CA 3.42Å; Y413-Q416 PolarHBondContact O-N 3.47Å; Y413-Q416 PolarHBondContact O-OE1 2.94Å; Y413-I417 WeakPolarHBondContact O-CG1 3.36Å; Y413-I417 PolarHBondContact O-N 3.29Å
414	L	73.6	Confident	74.9	Confident	37 Å²	37	51.6 Å²	51.6	19%	0.194	26%	0.255	C	S	.	.	H	α-helix	trans	-53.9	-42.2	-174.2	-171.5	67.1	0	0	0	113.2	L107 P108 A410 I417 S418	L107-L414 HydrophobicContact CD2-CD1 4.44Å; P108-L414 HydrophobicContact CG-CD1 4.35Å; P108-L414 HydrophobicContact CG-CD2 4Å; A410-L414 PolarHBondContact O-N 3.49Å; L414-I417 PolarHBondContact O-N 2.85Å; L414-S418 VanDerWaalsContact O-CB 3.28Å; L414-S418 WeakPolarHBondContact O-CB 3.23Å; L414-S418 PolarHBondContact O-N 3.27Å
415	P	76.3	Confident	76.3	Confident	38 Å²	38	48.9 Å²	48.9	25%	0.247	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-45.3	174	-22.8	34.6	0	0	0	112.5	Y413 S418 Q419	Y413-P415 VanDerWaalsContact C-CD 3.47Å; Y413-P415 VanDerWaalsContact C-N 3.33Å; P415-S418 PolarHBondContact O-N 3.41Å; P415-Q419 WeakPolarHBondContact O-CB 3.38Å; P415-Q419 PolarHBondContact O-N 3Å
416	Q	83.1	Confident	77.2	Confident	70 Å²	70	47.7 Å²	47.7	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-68.5	-36.8	179.1	-62.9	84.4	-9	0	0	112.1	L373 L376 Y413 L420	L373-Q416 HydrophobicContact CD2-CB 4.33Å; L373-Q416 HydrophobicContact CD2-CG 4.41Å; L376-Q416 HydrophobicContact CD2-CB 3.58Å; Y413-Q416 VanDerWaalsContact CA-OE1 3.27Å; Y413-Q416 CarbonylContact O-C 3.43Å; Y413-Q416 WeakPolarHBondContact O-CA 3.42Å; Y413-Q416 PolarHBondContact O-N 3.47Å; Y413-Q416 PolarHBondContact O-OE1 2.94Å; Q416-L420 WeakPolarHBondContact O-CB 3.38Å; Q416-L420 PolarHBondContact O-N 3.3Å
417	I	82.5	Confident	78.3	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-47.4	173.6	-67.7	170.4	0	0	0	109	L106 L376 M380 A410 Y413 L414 Q419 L420 L421	L106-I417 HydrophobicContact CB-CG2 4.31Å; L376-I417 HydrophobicContact CD1-CG1 4.19Å; L376-I417 HydrophobicContact CD2-CG1 3.96Å; L376-I417 HydrophobicContact CG-CG1 4.43Å; M380-I417 HydrophobicContact CE-CG2 4.24Å; M380-I417 HydrophobicContact SD-CG1 4.25Å; M380-I417 HydrophobicContact SD-CG2 4.48Å; A410-I417 HydrophobicContact CB-CD1 3.97Å; Y413-I417 WeakPolarHBondContact O-CG1 3.36Å; Y413-I417 PolarHBondContact O-N 3.29Å; L414-I417 PolarHBondContact O-N 2.85Å; I417-Q419 PolarHBondContact O-N 3.43Å; I417-L420 PolarHBondContact O-N 3.23Å; I417-L421 HydrophobicContact CG2-CD1 3.77Å; I417-L421 HydrophobicContact CG2-CG 4.19Å; I417-L421 WeakPolarHBondContact O-CB 3.37Å; I417-L421 VanDerWaalsContact O-CG 3.22Å; I417-L421 WeakPolarHBondContact O-CG 3.14Å; I417-L421 PolarHBondContact O-N 2.69Å
418	S	80.8	Confident	79.7	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-46.9	178	-160.7	0	0	0	0	111.2	E208 L414 P415 L421 N422	E208-S418 WeakPolarHBondContact CA-OG 3.29Å; E208-S418 WeakPolarHBondContact CB-OG 3.46Å; E208-S418 PolarHBondContact N-OG 3.06Å; E208-S418 PolarHBondContact O-OG 3.47Å; E208-S418 VanDerWaalsContact O-OG 3.06Å; L414-S418 VanDerWaalsContact O-CB 3.28Å; L414-S418 WeakPolarHBondContact O-CB 3.23Å; L414-S418 PolarHBondContact O-N 3.27Å; P415-S418 PolarHBondContact O-N 3.41Å; S418-L421 PolarHBondContact O-N 2.91Å; S418-N422 WeakPolarHBondContact O-CB 3.31Å; S418-N422 PolarHBondContact O-N 3.46Å
419	Q	84.1	Confident	80.8	Confident	90 Å²	90	40.5 Å²	40.5	42%	0.421	20%	0.202	S	C	.	.	H	α-helix	trans	-58.7	-50.7	175.1	-174.5	-176.2	10.1	0	0	110.6	L373 P415 I417 L421 N422 H423	L373-Q419 HydrophobicContact CD1-CB 4.34Å; L373-Q419 HydrophobicContact CD1-CG 4.25Å; P415-Q419 WeakPolarHBondContact O-CB 3.38Å; P415-Q419 PolarHBondContact O-N 3Å; I417-Q419 PolarHBondContact O-N 3.43Å; Q419-L421 PolarHBondContact O-N 3.19Å; Q419-N422 WeakPolarHBondContact O-CB 3.44Å; Q419-N422 PolarHBondContact O-N 3.33Å; Q419-N422 VanDerWaalsContact O-N 3.14Å; Q419-H423 PolarHBondContact O-N 3.02Å; Q419-H423 VanDerWaalsContact O-N 3.15Å; Q419-H423 PolarHBondContact O-ND1 3.04Å
420	L	87.9	Confident	81.9	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-47	179.3	175.6	61.4	0	0	0	111.7	A370 L373 L376 F377 M380 Q416 I417 N422 H423 V424	A370-L420 VanDerWaalsContact CA-CD1 3.48Å; A370-L420 HydrophobicContact CB-CD1 3.58Å; L373-L420 HydrophobicContact CB-CD1 4.24Å; L373-L420 HydrophobicContact CD1-CB 3.93Å; L376-L420 HydrophobicContact CD2-CD2 4.33Å; L376-L420 HydrophobicContact CG-CD2 4.19Å; F377-L420 HydrophobicContact CB-CD1 4.18Å; F377-L420 HydrophobicContact CB-CD2 3.8Å; F377-L420 HydrophobicContact CD2-CD1 4.25Å; F377-L420 HydrophobicContact CD2-CD2 4.09Å; F377-L420 HydrophobicContact CD2-CG 4.48Å; F377-L420 HydrophobicContact CG-CD1 4.44Å; F377-L420 HydrophobicContact CG-CD2 4.42Å; M380-L420 HydrophobicContact CE-CD2 3.95Å; M380-L420 HydrophobicContact SD-CD2 3.41Å; M380-L420 WeakPolarHBondContact SD-CD2 3.32Å; Q416-L420 WeakPolarHBondContact O-CB 3.38Å; Q416-L420 PolarHBondContact O-N 3.3Å; I417-L420 PolarHBondContact O-N 3.23Å; L420-N422 PolarHBondContact O-N 3.47Å; L420-H423 PolarHBondContact O-N 2.7Å; L420-H423 VanDerWaalsContact O-N 3.09Å; L420-V424 HydrophobicContact CD1-CG1 3.7Å; L420-V424 HydrophobicContact CG-CG1 4.24Å; L420-V424 WeakPolarHBondContact O-CG1 3.34Å; L420-V424 WeakPolarHBondContact O-CG2 3.13Å; L420-V424 PolarHBondContact O-N 3.32Å
421	L	86.2	Confident	83.3	Confident	4 Å²	4	38 Å²	38	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-30.9	178.3	-67	176.1	0	0	0	112.4	L106 W211 M380 I417 S418 Q419 H423 L429 L432	L106-L421 HydrophobicContact CB-CD1 4.5Å; L106-L421 HydrophobicContact CD1-CD1 4.18Å; L106-L421 HydrophobicContact CD1-CD2 4.08Å; W211-L421 HydrophobicContact CZ2-CD1 3.89Å; M380-L421 HydrophobicContact CE-CD2 3.79Å; M380-L421 HydrophobicContact CE-CG 4.28Å; I417-L421 HydrophobicContact CG2-CD1 3.77Å; I417-L421 HydrophobicContact CG2-CG 4.19Å; I417-L421 WeakPolarHBondContact O-CB 3.37Å; I417-L421 VanDerWaalsContact O-CG 3.22Å; I417-L421 WeakPolarHBondContact O-CG 3.14Å; I417-L421 PolarHBondContact O-N 2.69Å; S418-L421 PolarHBondContact O-N 2.91Å; Q419-L421 PolarHBondContact O-N 3.19Å; L421-H423 VanDerWaalsContact C-N 3.35Å; L421-L429 HydrophobicContact CB-CD2 3.95Å; L421-L429 HydrophobicContact CD2-CD2 3.53Å; L421-L429 HydrophobicContact CG-CD2 4.3Å; L421-L429 WeakPolarHBondContact O-CD2 3.46Å; L421-L432 HydrophobicContact CD2-CD1 3.73Å
422	N	84.7	Confident	84.6	Confident	65 Å²	65	37.1 Å²	37.1	35%	0.348	18%	0.181	S	C	.	.	H	α-helix	trans	-74	-24.6	175.5	-164.4	31.3	0	0	0	113.2	E208 S418 Q419 L420	E208-N422 HydrophobicContact CB-CB 4.31Å; E208-N422 VanDerWaalsContact CD-ND2 3.29Å; E208-N422 PolarHBondContact OE1-ND2 3.15Å; E208-N422 PolarHBondContact OE2-ND2 3.04Å; S418-N422 WeakPolarHBondContact O-CB 3.31Å; S418-N422 PolarHBondContact O-N 3.46Å; Q419-N422 WeakPolarHBondContact O-CB 3.44Å; Q419-N422 PolarHBondContact O-N 3.33Å; Q419-N422 VanDerWaalsContact O-N 3.14Å; L420-N422 PolarHBondContact O-N 3.47Å
423	H	87.9	Confident	85.5	Confident	116 Å²	116	34.3 Å²	34.3	54%	0.537	17%	0.165	S	C	.	.	H	α-helix	trans	-95.8	-32.7	-178.2	-71	80.7	0	0	0	114.1	G369 Q419 L420 L421	G369-H423 WeakPolarHBondContact O-CB 3.28Å; Q419-H423 PolarHBondContact O-N 3.02Å; Q419-H423 VanDerWaalsContact O-N 3.15Å; Q419-H423 PolarHBondContact O-ND1 3.04Å; L420-H423 PolarHBondContact O-N 2.7Å; L420-H423 VanDerWaalsContact O-N 3.09Å; L421-H423 VanDerWaalsContact C-N 3.35Å
424	V	91.2	Very high	86.3	Confident	8 Å²	8	29 Å²	29	5%	0.048	14%	0.144	C	C	.	.	S	Bend	trans	-65.2	146.2	178.6	-64.7	0	0	0	0	110.5	F377 L420 M428 L429	F377-V424 HydrophobicContact CD2-CG1 4.43Å; F377-V424 HydrophobicContact CE2-CG1 4.08Å; L420-V424 HydrophobicContact CD1-CG1 3.7Å; L420-V424 HydrophobicContact CG-CG1 4.24Å; L420-V424 WeakPolarHBondContact O-CG1 3.34Å; L420-V424 WeakPolarHBondContact O-CG2 3.13Å; L420-V424 PolarHBondContact O-N 3.32Å; V424-M428 HydrophobicContact CB-CB 4.03Å; V424-M428 HydrophobicContact CB-CG 4.05Å; V424-M428 HydrophobicContact CG1-CG 4.39Å; V424-M428 HydrophobicContact CG2-CB 4.17Å; V424-M428 HydrophobicContact CG2-CG 4.18Å; V424-L429 HydrophobicContact CG2-CD2 3.65Å; V424-L429 HydrophobicContact CG2-CG 4.14Å
425	P	91.4	Very high	87	Confident	44 Å²	44	27.5 Å²	27.5	29%	0.286	14%	0.137	S	C	.	.			trans	-64.2	150	178.9	29.4	-35.8	0	0	0	109.8	F342 L368 Q427 M428	F342-P425 HydrophobicContact CD2-CG 3.8Å; F342-P425 HydrophobicContact CE2-CG 3.53Å; L368-P425 WeakPolarHBondContact O-CD 3.34Å; P425-Q427 PolarHBondContact O-N 3.47Å; P425-M428 HydrophobicContact CG-CB 4.25Å; P425-M428 WeakPolarHBondContact O-CA 3.37Å; P425-M428 VanDerWaalsContact O-CB 3.22Å; P425-M428 WeakPolarHBondContact O-CB 3.35Å; P425-M428 PolarHBondContact O-N 3.27Å
426	R	86.6	Confident	87.3	Confident	66 Å²	66	25.8 Å²	25.8	25%	0.249	13%	0.125	C	C	.	.	H	α-helix	trans	-44.1	-41.7	177.3	-171.9	-177.5	176.1	-146.2	-7	114.7	E215 N219 M428 L429 L430	E215-R426 VanDerWaalsContact CD-NE 3.29Å; E215-R426 IonicContact OE1-CZ 2.76Å; E215-R426 IonicContact OE1-NE 3.34Å; E215-R426 PolarHBondContact OE1-NE 3.48Å; E215-R426 VanDerWaalsContact OE1-NE 3.09Å; E215-R426 IonicContact OE1-NH2 2.61Å; E215-R426 PolarHBondContact OE1-NH2 2.85Å; E215-R426 WeakPolarHBondContact OE2-CD 3.42Å; E215-R426 WeakPolarHBondContact OE2-CG 3.13Å; E215-R426 IonicContact OE2-CZ 2.74Å; E215-R426 IonicContact OE2-NE 3.83Å; E215-R426 PolarHBondContact OE2-NE 2.7Å; E215-R426 IonicContact OE2-NH2 2.91Å; N219-R426 PolarHBondContact ND2-NH2 3.42Å; N219-R426 PolarHBondContact OD1-NH2 3.31Å; R426-M428 PolarHBondContact O-N 3.48Å; R426-L429 WeakPolarHBondContact O-CB 3.35Å; R426-L429 PolarHBondContact O-N 2.86Å; R426-L430 PolarHBondContact O-N 3.32Å
427	Q	92.3	Very high	87.4	Confident	31 Å²	31	23.2 Å²	23.2	15%	0.145	11%	0.114	C	C	.	.	H	α-helix	trans	-55.2	-34.9	178	-63.6	174.9	59.1	0	0	112.3	Q336 L338 F342 P425 I431	Q336-Q427 HydrophobicContact CG-CB 4.45Å; Q336-Q427 HydrophobicContact CG-CG 4.29Å; L338-Q427 HydrophobicContact CD2-CB 3.97Å; L338-Q427 HydrophobicContact CD2-CG 4.35Å; F342-Q427 HydrophobicContact CD1-CB 4.01Å; F342-Q427 VanDerWaalsContact CD1-OE1 3.31Å; F342-Q427 HydrophobicContact CD2-CB 4.21Å; F342-Q427 HydrophobicContact CE1-CB 3.79Å; F342-Q427 HydrophobicContact CE2-CB 4Å; F342-Q427 HydrophobicContact CG-CB 4.22Å; F342-Q427 HydrophobicContact CZ-CB 3.76Å; P425-Q427 PolarHBondContact O-N 3.47Å; Q427-I431 WeakPolarHBondContact O-CG1 3.47Å; Q427-I431 PolarHBondContact O-N 2.87Å
428	M	92.3	Very high	87.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-72.5	-39.6	177.3	-174.5	52.8	67.8	0	0	112.3	F342 Y346 L368 F377 L381 V424 P425 R426 L430 I431 L432	F342-M428 HydrophobicContact CE2-CB 4.04Å; F342-M428 HydrophobicContact CE2-CE 3.88Å; F342-M428 HydrophobicContact CZ-CB 3.97Å; F342-M428 HydrophobicContact CZ-CE 3.54Å; F342-M428 HydrophobicContact CZ-SD 4.49Å; Y346-M428 HydrophobicContact CD2-CE 3.45Å; Y346-M428 VanDerWaalsContact CD2-CE 3.45Å; Y346-M428 HydrophobicContact CE2-CE 3.62Å; Y346-M428 HydrophobicContact CE2-SD 4.12Å; L368-M428 HydrophobicContact CB-CE 4.41Å; L368-M428 HydrophobicContact CD1-CE 4.05Å; L368-M428 HydrophobicContact CD2-CE 4.11Å; L368-M428 HydrophobicContact CG-CE 4.43Å; F377-M428 HydrophobicContact CE2-CE 4.3Å; F377-M428 HydrophobicContact CE2-CG 3.7Å; F377-M428 HydrophobicContact CE2-SD 3.85Å; F377-M428 HydrophobicContact CZ-CE 3.58Å; F377-M428 HydrophobicContact CZ-CG 3.88Å; F377-M428 HydrophobicContact CZ-SD 3.74Å; L381-M428 HydrophobicContact CD2-SD 3.89Å; V424-M428 HydrophobicContact CB-CB 4.03Å; V424-M428 HydrophobicContact CB-CG 4.05Å; V424-M428 HydrophobicContact CG1-CG 4.39Å; V424-M428 HydrophobicContact CG2-CB 4.17Å; V424-M428 HydrophobicContact CG2-CG 4.18Å; P425-M428 HydrophobicContact CG-CB 4.25Å; P425-M428 WeakPolarHBondContact O-CA 3.37Å; P425-M428 VanDerWaalsContact O-CB 3.22Å; P425-M428 WeakPolarHBondContact O-CB 3.35Å; P425-M428 PolarHBondContact O-N 3.27Å; R426-M428 PolarHBondContact O-N 3.48Å; M428-L430 VanDerWaalsContact C-N 3.32Å; M428-L430 PolarHBondContact O-N 3.37Å; M428-I431 PolarHBondContact O-N 3.36Å; M428-I431 VanDerWaalsContact O-N 3.16Å; M428-I431 HydrophobicContact SD-CG2 4.47Å; M428-L432 HydrophobicContact CG-CD1 4.1Å; M428-L432 HydrophobicContact CG-CG 4.25Å; M428-L432 WeakPolarHBondContact O-CG 3.41Å; M428-L432 PolarHBondContact O-N 3.42Å; M428-L432 HydrophobicContact SD-CG 4.17Å
429	L	88.2	Confident	87.8	Confident	17 Å²	17	24.6 Å²	24.6	9%	0.089	12%	0.119	C	C	.	.	H	α-helix	trans	-57.3	-46.6	179.8	-62.9	176.1	0	0	0	111.7	W211 L421 V424 R426 L432 K433	W211-L429 HydrophobicContact CB-CD1 4.15Å; W211-L429 HydrophobicContact CD2-CD1 4.24Å; W211-L429 HydrophobicContact CE3-CD1 3.79Å; W211-L429 HydrophobicContact CE3-CD2 4.42Å; W211-L429 HydrophobicContact CG-CD1 4.42Å; L421-L429 HydrophobicContact CB-CD2 3.95Å; L421-L429 HydrophobicContact CD2-CD2 3.53Å; L421-L429 HydrophobicContact CG-CD2 4.3Å; L421-L429 WeakPolarHBondContact O-CD2 3.46Å; V424-L429 HydrophobicContact CG2-CD2 3.65Å; V424-L429 HydrophobicContact CG2-CG 4.14Å; R426-L429 WeakPolarHBondContact O-CB 3.35Å; R426-L429 PolarHBondContact O-N 2.86Å; L429-L432 PolarHBondContact O-N 3.46Å; L429-K433 PolarHBondContact O-N 3.03Å
430	L	88.9	Confident	87.7	Confident	3 Å²	3	21.4 Å²	21.4	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-70.1	-33.6	178.1	-70.7	-176.1	0	0	0	112.8	E215 C307 L334 Q336 R426 M428 K433 T434	E215-L430 HydrophobicContact CG-CD2 4.23Å; E215-L430 VanDerWaalsContact OE1-CD1 3.32Å; E215-L430 WeakPolarHBondContact OE1-CD1 3.46Å; E215-L430 WeakPolarHBondContact OE1-CD2 3.33Å; E215-L430 WeakPolarHBondContact OE1-CG 3.45Å; C307-L430 HydrophobicContact CB-CB 3.9Å; C307-L430 HydrophobicContact CB-CD1 4.29Å; C307-L430 HydrophobicContact CB-CD2 4.19Å; C307-L430 HydrophobicContact CB-CG 4.37Å; L334-L430 HydrophobicContact CD2-CD2 4.32Å; Q336-L430 HydrophobicContact CB-CD1 3.79Å; Q336-L430 HydrophobicContact CG-CD1 4.16Å; R426-L430 PolarHBondContact O-N 3.32Å; M428-L430 VanDerWaalsContact C-N 3.32Å; M428-L430 PolarHBondContact O-N 3.37Å; L430-K433 PolarHBondContact O-N 3.03Å; L430-T434 WeakPolarHBondContact O-CB 3.22Å; L430-T434 PolarHBondContact O-N 3.44Å; L430-T434 PolarHBondContact O-OG1 3.49Å
431	I	91.2	Very high	87.6	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-43.3	172.1	-73.6	175.6	0	0	0	111	I299 L338 F342 Y346 Q427 M428 K433 T434 N435	I299-I431 HydrophobicContact CG2-CD1 4.41Å; L338-I431 HydrophobicContact CD1-CD1 3.87Å; L338-I431 HydrophobicContact CD2-CD1 3.87Å; L338-I431 HydrophobicContact CD2-CG1 4.45Å; F342-I431 HydrophobicContact CE1-CD1 3.55Å; F342-I431 HydrophobicContact CZ-CD1 3.99Å; Y346-I431 HydrophobicContact CE1-CG2 4.33Å; Y346-I431 HydrophobicContact CE2-CG2 4.19Å; Y346-I431 WeakPolarHBondContact OH-CG2 3.35Å; Q427-I431 WeakPolarHBondContact O-CG1 3.47Å; Q427-I431 PolarHBondContact O-N 2.87Å; M428-I431 PolarHBondContact O-N 3.36Å; M428-I431 VanDerWaalsContact O-N 3.16Å; M428-I431 HydrophobicContact SD-CG2 4.47Å; I431-K433 PolarHBondContact O-N 3.38Å; I431-T434 WeakPolarHBondContact O-CB 3.43Å; I431-T434 PolarHBondContact O-N 2.9Å; I431-N435 VanDerWaalsContact O-CG 3.23Å; I431-N435 PolarHBondContact O-N 3.36Å; I431-N435 PolarHBondContact O-ND2 2.68Å
432	L	88.1	Confident	87.6	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-47.7	176.2	-72.7	171.1	0	0	0	110.7	L106 M380 L381 L421 M428 L429 T434 N435 D436	L106-L432 HydrophobicContact CD1-CB 4.34Å; M380-L432 HydrophobicContact CB-CD2 4.46Å; M380-L432 HydrophobicContact CE-CD1 4.06Å; L381-L432 HydrophobicContact CD2-CD2 3.69Å; L381-L432 HydrophobicContact CG-CD2 4.24Å; L421-L432 HydrophobicContact CD2-CD1 3.73Å; M428-L432 HydrophobicContact CG-CD1 4.1Å; M428-L432 HydrophobicContact CG-CG 4.25Å; M428-L432 WeakPolarHBondContact O-CG 3.41Å; M428-L432 PolarHBondContact O-N 3.42Å; M428-L432 HydrophobicContact SD-CG 4.17Å; L429-L432 PolarHBondContact O-N 3.46Å; L432-T434 VanDerWaalsContact C-N 3.33Å; L432-T434 PolarHBondContact O-N 2.89Å; L432-N435 PolarHBondContact O-N 3.2Å; L432-D436 PolarHBondContact O-N 3.2Å
433	K	86.8	Confident	87.5	Confident	8 Å²	8	21.4 Å²	21.4	4%	0.035	12%	0.117	C	C	.	.	H	α-helix	trans	-56	-46.5	173.3	-175.4	-168.1	172.7	-144.7	0	111.9	A102 L103 C307 D308 L429 L430 I431 N435 D436 L437	A102-K433 HydrophobicContact CB-CG 4.42Å; L103-K433 HydrophobicContact CD2-CB 4.08Å; L103-K433 HydrophobicContact CD2-CG 4.24Å; C307-K433 PolarHBondContact O-NZ 3.32Å; C307-K433 VanDerWaalsContact O-NZ 3.12Å; D308-K433 VanDerWaalsContact CG-NZ 3.31Å; D308-K433 IonicContact OD1-NZ 3.66Å; D308-K433 PolarHBondContact OD1-NZ 3.06Å; D308-K433 IonicContact OD2-NZ 2.74Å; L429-K433 PolarHBondContact O-N 3.03Å; L430-K433 PolarHBondContact O-N 3.03Å; I431-K433 PolarHBondContact O-N 3.38Å; K433-N435 PolarHBondContact O-N 2.92Å; K433-D436 PolarHBondContact O-N 3.04Å; K433-L437 HydrophobicContact CG-CD1 4.29Å; K433-L437 WeakPolarHBondContact O-CG 3.44Å; K433-L437 PolarHBondContact O-N 2.96Å
434	T	88.9	Confident	87.4	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.6	-46.9	-180	-53.8	0	0	0	0	111.1	Y295 C307 P309 L430 I431 L432 D436 L437 L438	Y295-T434 HydrophobicContact CD1-CG2 3.56Å; Y295-T434 HydrophobicContact CE1-CG2 3.68Å; C307-T434 WeakPolarHBondContact CA-OG1 3.4Å; P309-T434 HydrophobicContact CG-CG2 4.02Å; L430-T434 WeakPolarHBondContact O-CB 3.22Å; L430-T434 PolarHBondContact O-N 3.44Å; L430-T434 PolarHBondContact O-OG1 3.49Å; I431-T434 WeakPolarHBondContact O-CB 3.43Å; I431-T434 PolarHBondContact O-N 2.9Å; L432-T434 VanDerWaalsContact C-N 3.33Å; L432-T434 PolarHBondContact O-N 2.89Å; T434-D436 VanDerWaalsContact C-N 3.34Å; T434-D436 PolarHBondContact O-N 2.8Å; T434-L437 PolarHBondContact O-N 3.16Å; T434-L438 HydrophobicContact CG2-CD1 4.3Å; T434-L438 WeakPolarHBondContact O-CG 3.47Å; T434-L438 PolarHBondContact O-N 2.62Å
435	N	87.1	Confident	87.1	Confident	7 Å²	7	18.2 Å²	18.2	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-62.5	-41.4	178.8	-67.7	-20	0	0	0	111.5	Y346 I431 L432 K433 L438 R439	Y346-N435 PolarHBondContact OH-ND2 3.21Å; I431-N435 VanDerWaalsContact O-CG 3.23Å; I431-N435 PolarHBondContact O-N 3.36Å; I431-N435 PolarHBondContact O-ND2 2.68Å; L432-N435 PolarHBondContact O-N 3.2Å; K433-N435 PolarHBondContact O-N 2.92Å; N435-L438 PolarHBondContact O-N 2.92Å; N435-R439 WeakPolarHBondContact O-CD 3.36Å; N435-R439 WeakPolarHBondContact O-CG 3.23Å; N435-R439 PolarHBondContact O-N 3.39Å
436	D	83.4	Confident	86.7	Confident	2 Å²	2	19 Å²	19	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-43.2	178.2	-85.8	6.6	0	0	0	112.6	Y105 L432 K433 T434 L438 R439 G440	Y105-D436 HydrophobicContact CD2-CB 4.46Å; Y105-D436 WeakPolarHBondContact CD2-OD1 3.49Å; Y105-D436 PolarHBondContact N-OD2 3.32Å; L432-D436 PolarHBondContact O-N 3.2Å; K433-D436 PolarHBondContact O-N 3.04Å; T434-D436 VanDerWaalsContact C-N 3.34Å; T434-D436 PolarHBondContact O-N 2.8Å; D436-L438 PolarHBondContact O-N 2.77Å; D436-R439 PolarHBondContact O-N 3.5Å; D436-R439 IonicContact OD1-CZ 2.67Å; D436-R439 IonicContact OD1-NH1 3.33Å; D436-R439 PolarHBondContact OD1-NH1 3.23Å; D436-G440 PolarHBondContact O-N 3.49Å
437	L	85.9	Confident	86.3	Confident	15 Å²	15	16 Å²	16	8%	0.079	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-42.4	174.7	-75.2	173.5	0	0	0	112.1	A102 P309 K433 T434 G440 I441	A102-L437 HydrophobicContact CB-CD2 3.79Å; A102-L437 HydrophobicContact CB-CG 4.2Å; P309-L437 HydrophobicContact CG-CB 3.82Å; P309-L437 HydrophobicContact CG-CD1 4.14Å; K433-L437 HydrophobicContact CG-CD1 4.29Å; K433-L437 WeakPolarHBondContact O-CG 3.44Å; K433-L437 PolarHBondContact O-N 2.96Å; T434-L437 PolarHBondContact O-N 3.16Å; L437-G440 PolarHBondContact O-N 2.9Å; L437-I441 PolarHBondContact O-N 2.6Å
438	L	87.2	Confident	85.2	Confident	13 Å²	13	16.3 Å²	16.3	7%	0.068	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-43.8	175.5	-69.3	173.2	0	0	0	111.8	L291 Y295 P309 T434 N435 D436 G440 I441 E442	L291-L438 HydrophobicContact CB-CD2 4.49Å; Y295-L438 HydrophobicContact CD1-CD1 4.11Å; Y295-L438 HydrophobicContact CD2-CD1 4Å; Y295-L438 HydrophobicContact CD2-CD2 3.59Å; Y295-L438 HydrophobicContact CD2-CG 4.36Å; Y295-L438 HydrophobicContact CE2-CD2 3.81Å; Y295-L438 HydrophobicContact CG-CD1 3.65Å; Y295-L438 HydrophobicContact CG-CD2 4.12Å; Y295-L438 HydrophobicContact CG-CG 4.42Å; P309-L438 HydrophobicContact CB-CD2 4.19Å; P309-L438 HydrophobicContact CG-CD2 4.23Å; P309-L438 HydrophobicContact CG-CG 4.23Å; T434-L438 HydrophobicContact CG2-CD1 4.3Å; T434-L438 WeakPolarHBondContact O-CG 3.47Å; T434-L438 PolarHBondContact O-N 2.62Å; N435-L438 PolarHBondContact O-N 2.92Å; D436-L438 PolarHBondContact O-N 2.77Å; L438-G440 VanDerWaalsContact C-N 3.26Å; L438-G440 PolarHBondContact O-N 3.29Å; L438-I441 WeakPolarHBondContact O-CB 3.3Å; L438-I441 PolarHBondContact O-N 2.93Å; L438-I441 VanDerWaalsContact O-N 3.17Å; L438-E442 WeakPolarHBondContact O-CG 3.18Å; L438-E442 PolarHBondContact O-N 3.25Å
439	R	83.1	Confident	83.5	Confident	24 Å²	24	20.5 Å²	20.5	9%	0.091	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-37.6	173.9	-68.5	162.6	-171.7	171.3	-5.7	111.5	Y105 M380 L381 A383 N435 D436 I441 E442 A443	Y105-R439 HydrophobicContact CE2-CB 4.2Å; M380-R439 PolarHBondContact O-NH1 2.71Å; M380-R439 PolarHBondContact O-NH2 2.92Å; L381-R439 PolarHBondContact O-NH2 3.01Å; A383-R439 VanDerWaalsContact CB-CZ 3.45Å; N435-R439 WeakPolarHBondContact O-CD 3.36Å; N435-R439 WeakPolarHBondContact O-CG 3.23Å; N435-R439 PolarHBondContact O-N 3.39Å; D436-R439 PolarHBondContact O-N 3.5Å; D436-R439 IonicContact OD1-CZ 2.67Å; D436-R439 IonicContact OD1-NH1 3.33Å; D436-R439 PolarHBondContact OD1-NH1 3.23Å; R439-I441 VanDerWaalsContact C-N 3.34Å; R439-E442 PolarHBondContact O-N 3.44Å; R439-A443 WeakPolarHBondContact O-CB 3.39Å; R439-A443 PolarHBondContact O-N 3.32Å
440	G	81.9	Confident	82	Confident	23 Å²	23	22 Å²	22	24%	0.237	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-43.2	174.1	0	0	0	0	0	112.4	D436 L437 L438 A443 A444	D436-G440 PolarHBondContact O-N 3.49Å; L437-G440 PolarHBondContact O-N 2.9Å; L438-G440 VanDerWaalsContact C-N 3.26Å; L438-G440 PolarHBondContact O-N 3.29Å; G440-A443 PolarHBondContact O-N 2.97Å; G440-A444 PolarHBondContact O-N 2.9Å
441	I	86.8	Confident	80.6	Confident	2 Å²	2	23.4 Å²	23.4	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-46.8	174.1	-66	165	0	0	0	110.8	V271 L291 P309 P311 L437 L438 R439 A443 A444 L445	V271-I441 HydrophobicContact CG1-CD1 3.77Å; V271-I441 HydrophobicContact CG1-CG1 3.93Å; V271-I441 HydrophobicContact CG1-CG2 4.09Å; V271-I441 HydrophobicContact CG2-CG2 3.97Å; L291-I441 HydrophobicContact CD1-CD1 4.47Å; L291-I441 HydrophobicContact CD1-CG2 3.79Å; P309-I441 WeakPolarHBondContact O-CD1 3.43Å; P311-I441 HydrophobicContact CG-CG1 4.07Å; L437-I441 PolarHBondContact O-N 2.6Å; L438-I441 WeakPolarHBondContact O-CB 3.3Å; L438-I441 PolarHBondContact O-N 2.93Å; L438-I441 VanDerWaalsContact O-N 3.17Å; R439-I441 VanDerWaalsContact C-N 3.34Å; I441-A443 VanDerWaalsContact C-N 3.29Å; I441-A443 PolarHBondContact O-N 3.39Å; I441-A444 PolarHBondContact O-N 3.32Å; I441-L445 HydrophobicContact CG2-CD1 3.87Å; I441-L445 HydrophobicContact CG2-CG 4.32Å; I441-L445 WeakPolarHBondContact O-CG 3.45Å; I441-L445 PolarHBondContact O-N 2.96Å
442	E	85.3	Confident	79.3	Confident	20 Å²	20	24 Å²	24	9%	0.093	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-37.5	178.2	-68.3	-178.7	150.3	0	0	113.1	L438 R439 L445 G446 T447 R448 S453	L438-E442 WeakPolarHBondContact O-CG 3.18Å; L438-E442 PolarHBondContact O-N 3.25Å; R439-E442 PolarHBondContact O-N 3.44Å; E442-L445 PolarHBondContact O-N 2.91Å; E442-G446 PolarHBondContact O-N 3.45Å; E442-T447 PolarHBondContact O-N 2.86Å; E442-T447 PolarHBondContact O-OG1 3.5Å; E442-R448 HydrophobicContact CB-CB 4.47Å; E442-S453 WeakPolarHBondContact OE1-CB 3.35Å
443	A	83.2	Confident	78.3	Confident	50 Å²	50	24.9 Å²	24.9	41%	0.413	19%	0.185	S	C	.	.	H	α-helix	trans	-65.4	-45.2	174.7	0	0	0	0	0	111.2	R439 G440 I441 L445 G446	R439-A443 WeakPolarHBondContact O-CB 3.39Å; R439-A443 PolarHBondContact O-N 3.32Å; G440-A443 PolarHBondContact O-N 2.97Å; I441-A443 VanDerWaalsContact C-N 3.29Å; I441-A443 PolarHBondContact O-N 3.39Å; A443-L445 VanDerWaalsContact C-N 3.29Å; A443-L445 PolarHBondContact O-N 3.43Å; A443-G446 PolarHBondContact O-N 3.36Å; A443-G446 VanDerWaalsContact O-N 3.15Å
444	A	85.3	Confident	77.6	Confident	51 Å²	51	25.8 Å²	25.8	42%	0.421	19%	0.189	S	C	.	.	H	α-helix	trans	-62.5	-35.5	176.6	0	0	0	0	0	112.6	N272 G440 I441	N272-A444 HydrophobicContact CB-CB 3.94Å; G440-A444 PolarHBondContact O-N 2.9Å; I441-A444 PolarHBondContact O-N 3.32Å
445	L	85.9	Confident	76.9	Confident	5 Å²	5	26.2 Å²	26.2	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-82.3	-10.7	177	-65.8	-179.4	0	0	0	114.1	V271 M277 V284 I287 I441 E442 A443 T447	V271-L445 WeakPolarHBondContact O-CD2 3.46Å; M277-L445 HydrophobicContact CE-CD1 4.32Å; M277-L445 HydrophobicContact CE-CD2 3.58Å; M277-L445 HydrophobicContact SD-CD2 4.14Å; V284-L445 HydrophobicContact CB-CB 4.37Å; V284-L445 HydrophobicContact CB-CD2 4.32Å; V284-L445 HydrophobicContact CG1-CD2 4.07Å; I287-L445 HydrophobicContact CG2-CD1 4.38Å; I441-L445 HydrophobicContact CG2-CD1 3.87Å; I441-L445 HydrophobicContact CG2-CG 4.32Å; I441-L445 WeakPolarHBondContact O-CG 3.45Å; I441-L445 PolarHBondContact O-N 2.96Å; E442-L445 PolarHBondContact O-N 2.91Å; A443-L445 VanDerWaalsContact C-N 3.29Å; A443-L445 PolarHBondContact O-N 3.43Å; L445-T447 VanDerWaalsContact C-N 3.27Å; L445-T447 HydrophobicContact CB-CG2 3.91Å; L445-T447 PolarHBondContact O-N 2.8Å
446	G	82.7	Confident	76.5	Confident	62 Å²	62	26.7 Å²	26.7	64%	0.639	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	21.5	-175	0	0	0	0	0	114.2	E442 A443	E442-G446 PolarHBondContact O-N 3.45Å; A443-G446 PolarHBondContact O-N 3.36Å; A443-G446 VanDerWaalsContact O-N 3.15Å
447	T	78.5	Confident	76.4	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.018	20%	0.196	C	C	.	.			trans	-95.7	-4.1	-174.8	60	0	0	0	0	113.9	V284 S288 E442 L445 A449 S450	V284-T447 HydrophobicContact CB-CG2 4.25Å; V284-T447 HydrophobicContact CG2-CG2 3.98Å; S288-T447 WeakPolarHBondContact CB-OG1 3.43Å; S288-T447 PolarHBondContact OG-OG1 3.34Å; S288-T447 VanDerWaalsContact OG-OG1 3.04Å; E442-T447 PolarHBondContact O-N 2.86Å; E442-T447 PolarHBondContact O-OG1 3.5Å; L445-T447 VanDerWaalsContact C-N 3.27Å; L445-T447 HydrophobicContact CB-CG2 3.91Å; L445-T447 PolarHBondContact O-N 2.8Å; T447-A449 VanDerWaalsContact C-N 3.27Å; T447-A449 PolarHBondContact O-N 3.42Å; T447-S450 WeakPolarHBondContact O-CB 3.46Å; T447-S450 PolarHBondContact O-N 3.2Å; T447-S450 VanDerWaalsContact O-N 3.11Å; T447-S450 PolarHBondContact O-OG 2.72Å
448	R	68.3	Low	76.1	Confident	36 Å²	36	26.5 Å²	26.5	14%	0.136	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-57.1	-34.5	-173.9	-166.9	177.8	-176.6	178.8	0.2	114.3	Y105 V398 D403 E442 S450 A451	Y105-R448 PolarHBondContact OH-NH1 3.01Å; V398-R448 HydrophobicContact CG1-CG 4.49Å; D403-R448 VanDerWaalsContact CG-CZ 3.41Å; D403-R448 IonicContact OD1-CZ 3.03Å; D403-R448 IonicContact OD1-NE 3.46Å; D403-R448 IonicContact OD1-NH1 2.7Å; D403-R448 PolarHBondContact OD1-NH1 3.48Å; D403-R448 IonicContact OD1-NH2 2.69Å; D403-R448 PolarHBondContact OD1-NH2 3.49Å; D403-R448 IonicContact OD2-CZ 3.27Å; D403-R448 VanDerWaalsContact OD2-CZ 3.23Å; D403-R448 IonicContact OD2-NE 3.25Å; D403-R448 IonicContact OD2-NH1 3.89Å; D403-R448 PolarHBondContact OD2-NH1 3.31Å; D403-R448 IonicContact OD2-NH2 2.69Å; E442-R448 HydrophobicContact CB-CB 4.47Å; R448-S450 PolarHBondContact O-N 2.97Å; R448-S450 VanDerWaalsContact O-N 3.12Å; R448-A451 PolarHBondContact O-N 3.11Å
449	A	57.7	Low	76.1	Confident	89 Å²	89	27.2 Å²	27.2	74%	0.736	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-63.3	-17.6	-179.3	0	0	0	0	0	114	T447 A451	T447-A449 VanDerWaalsContact C-N 3.27Å; T447-A449 PolarHBondContact O-N 3.42Å; A449-A451 VanDerWaalsContact C-N 3.28Å; A449-A451 PolarHBondContact O-N 3.27Å
450	S	56.4	Low	76.2	Confident	49 Å²	49	26.2 Å²	26.2	34%	0.343	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-74.6	-10.2	-177	67.3	0	0	0	0	114.9	T447 R448 S452	T447-S450 WeakPolarHBondContact O-CB 3.46Å; T447-S450 PolarHBondContact O-N 3.2Å; T447-S450 VanDerWaalsContact O-N 3.11Å; T447-S450 PolarHBondContact O-OG 2.72Å; R448-S450 PolarHBondContact O-N 2.97Å; R448-S450 VanDerWaalsContact O-N 3.12Å; S450-S452 PolarHBondContact O-N 3.41Å; S450-S452 VanDerWaalsContact OG-CB 3.25Å; S450-S452 WeakPolarHBondContact OG-CB 3.47Å; S450-S452 PolarHBondContact OG-N 3.33Å; S450-S452 PolarHBondContact OG-OG 3.45Å
451	A	58.7	Low	76.6	Confident	31 Å²	31	25.1 Å²	25.1	26%	0.256	18%	0.18	S	C	.	.			trans	50.4	17.8	-170	0	0	0	0	0	114.1	R448 A449 S453 F454 L455	R448-A451 PolarHBondContact O-N 3.11Å; A449-A451 VanDerWaalsContact C-N 3.28Å; A449-A451 PolarHBondContact O-N 3.27Å; A451-S453 PolarHBondContact O-N 3.12Å; A451-F454 PolarHBondContact O-N 3.19Å; A451-L455 HydrophobicContact CB-CD1 4.43Å; A451-L455 WeakPolarHBondContact O-CG 3.4Å; A451-L455 PolarHBondContact O-N 3.05Å; A451-L455 VanDerWaalsContact O-N 3.07Å
452	S	63.4	Low	76.6	Confident	14 Å²	14	25.2 Å²	25.2	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-39.2	-166	63.7	0	0	0	0	112.3	S450 L455 N456	S450-S452 PolarHBondContact O-N 3.41Å; S450-S452 VanDerWaalsContact OG-CB 3.25Å; S450-S452 WeakPolarHBondContact OG-CB 3.47Å; S450-S452 PolarHBondContact OG-N 3.33Å; S450-S452 PolarHBondContact OG-OG 3.45Å; S452-L455 PolarHBondContact O-N 3.09Å; S452-N456 WeakPolarHBondContact O-CB 3.38Å; S452-N456 PolarHBondContact O-N 3Å; S452-N456 PolarHBondContact O-ND2 3.17Å
453	S	67.5	Low	76.8	Confident	19 Å²	19	29.5 Å²	29.5	13%	0.133	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-48.7	175.1	168.2	0	0	0	0	112.4	E442 A451 L455 N456 M457	E442-S453 WeakPolarHBondContact OE1-CB 3.35Å; A451-S453 PolarHBondContact O-N 3.12Å; S453-L455 VanDerWaalsContact C-N 3.32Å; S453-L455 PolarHBondContact O-N 3.47Å; S453-N456 PolarHBondContact O-N 3.32Å; S453-N456 VanDerWaalsContact O-N 3.14Å; S453-M457 WeakPolarHBondContact O-CB 3.47Å; S453-M457 VanDerWaalsContact O-CG 3.28Å; S453-M457 WeakPolarHBondContact O-CG 3.45Å; S453-M457 PolarHBondContact O-N 2.89Å
454	F	72.6	Confident	77.1	Confident	26 Å²	26	27.6 Å²	27.6	11%	0.114	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-43.8	177	-175.7	-89.2	0	0	0	111.9	W350 I354 I393 A451 M457 S458	W350-F454 HydrophobicContact CE3-CD2 4.26Å; W350-F454 AromaticContact CE3-CE2 3.89Å; W350-F454 HydrophobicContact CE3-CE2 3.89Å; W350-F454 HydrophobicContact CE3-CZ 4.48Å; W350-F454 AromaticContact CH2-CD2 3.83Å; W350-F454 HydrophobicContact CH2-CD2 3.83Å; W350-F454 HydrophobicContact CH2-CE2 4.07Å; W350-F454 AromaticContact CZ3-CD2 3.26Å; W350-F454 HydrophobicContact CZ3-CD2 3.26Å; W350-F454 AromaticContact CZ3-CE2 3.29Å; W350-F454 HydrophobicContact CZ3-CE2 3.29Å; W350-F454 HydrophobicContact CZ3-CG 4.13Å; W350-F454 HydrophobicContact CZ3-CZ 4.21Å; I354-F454 HydrophobicContact CG1-CE1 3.97Å; I354-F454 HydrophobicContact CG1-CZ 3.84Å; I393-F454 HydrophobicContact CB-CE1 4.41Å; I393-F454 HydrophobicContact CB-CE2 4.33Å; I393-F454 HydrophobicContact CB-CZ 4.04Å; I393-F454 HydrophobicContact CD1-CE2 3.64Å; I393-F454 HydrophobicContact CD1-CZ 3.78Å; I393-F454 HydrophobicContact CG2-CD1 4.32Å; I393-F454 HydrophobicContact CG2-CD2 4.03Å; I393-F454 HydrophobicContact CG2-CE1 4.14Å; I393-F454 HydrophobicContact CG2-CE2 3.87Å; I393-F454 HydrophobicContact CG2-CG 4.29Å; I393-F454 HydrophobicContact CG2-CZ 3.93Å; A451-F454 PolarHBondContact O-N 3.19Å; F454-M457 PolarHBondContact O-N 3.46Å; F454-S458 WeakPolarHBondContact O-CB 3.24Å; F454-S458 PolarHBondContact O-N 3.31Å; F454-S458 PolarHBondContact O-OG 3.11Å
455	L	74.3	Confident	77.4	Confident	9 Å²	9	25.4 Å²	25.4	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-66.9	-37.8	178	-67.2	169.8	0	0	0	112.4	A451 S452 S453 S458 R459 I493 E497 L500	A451-L455 HydrophobicContact CB-CD1 4.43Å; A451-L455 WeakPolarHBondContact O-CG 3.4Å; A451-L455 PolarHBondContact O-N 3.05Å; A451-L455 VanDerWaalsContact O-N 3.07Å; S452-L455 PolarHBondContact O-N 3.09Å; S453-L455 VanDerWaalsContact C-N 3.32Å; S453-L455 PolarHBondContact O-N 3.47Å; L455-S458 WeakPolarHBondContact O-CB 3.47Å; L455-S458 PolarHBondContact O-N 2.88Å; L455-R459 WeakPolarHBondContact O-CG 3.39Å; L455-R459 PolarHBondContact O-N 3.45Å; L455-I493 HydrophobicContact CD2-CG2 3.94Å; L455-E497 HydrophobicContact CD1-CB 3.93Å; L455-E497 HydrophobicContact CD1-CG 3.86Å; L455-L500 HydrophobicContact CD1-CD1 4.41Å
456	N	77.8	Confident	77.6	Confident	18 Å²	18	25.5 Å²	25.5	10%	0.096	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-44.1	175.9	-71.7	-30.2	0	0	0	111.9	S452 S453 S458 R459 C460	S452-N456 WeakPolarHBondContact O-CB 3.38Å; S452-N456 PolarHBondContact O-N 3Å; S452-N456 PolarHBondContact O-ND2 3.17Å; S453-N456 PolarHBondContact O-N 3.32Å; S453-N456 VanDerWaalsContact O-N 3.14Å; N456-S458 VanDerWaalsContact C-N 3.25Å; N456-S458 PolarHBondContact O-N 3.14Å; N456-R459 PolarHBondContact O-N 2.93Å; N456-R459 PolarHBondContact OD1-NH1 2.99Å; N456-C460 PolarHBondContact O-N 2.64Å
457	M	81.8	Confident	77.9	Confident	11 Å²	11	26.5 Å²	26.5	5%	0.054	15%	0.151	C	C	.	.	H	α-helix	trans	-56.6	-43.5	172.4	-69.9	-178.8	82.8	0	0	110.7	S296 F300 W350 S453 F454 R459 C460 C461	S296-M457 VanDerWaalsContact OG-CA 3.31Å; S296-M457 WeakPolarHBondContact OG-CA 3.39Å; S296-M457 VanDerWaalsContact OG-CG 3.23Å; S296-M457 WeakPolarHBondContact OG-CG 3.15Å; S296-M457 PolarHBondContact OG-N 3.36Å; F300-M457 HydrophobicContact CE2-CB 3.74Å; F300-M457 HydrophobicContact CE2-CE 3.78Å; F300-M457 HydrophobicContact CE2-CG 4Å; F300-M457 HydrophobicContact CZ-CB 4.26Å; F300-M457 HydrophobicContact CZ-CE 3.83Å; W350-M457 HydrophobicContact CD2-CE 4.44Å; W350-M457 HydrophobicContact CE3-CB 4.2Å; W350-M457 HydrophobicContact CH2-CB 4.36Å; W350-M457 HydrophobicContact CH2-CE 3.61Å; W350-M457 HydrophobicContact CH2-SD 3.47Å; W350-M457 WeakPolarHBondContact CH2-SD 3.4Å; W350-M457 HydrophobicContact CZ2-CE 3.28Å; W350-M457 HydrophobicContact CZ2-SD 3.83Å; W350-M457 HydrophobicContact CZ3-CB 3.93Å; W350-M457 HydrophobicContact CZ3-CE 4.29Å; W350-M457 HydrophobicContact CZ3-SD 4.02Å; S453-M457 WeakPolarHBondContact O-CB 3.47Å; S453-M457 VanDerWaalsContact O-CG 3.28Å; S453-M457 WeakPolarHBondContact O-CG 3.45Å; S453-M457 PolarHBondContact O-N 2.89Å; F454-M457 PolarHBondContact O-N 3.46Å; M457-R459 PolarHBondContact O-N 2.98Å; M457-C460 PolarHBondContact O-N 3.46Å; M457-C461 WeakPolarHBondContact O-CB 3.4Å; M457-C461 PolarHBondContact O-N 3.22Å
458	S	80.7	Confident	78.5	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-59.3	-45.9	176.9	-60	0	0	0	0	112.8	I354 F454 L455 N456 C461 I462	I354-S458 WeakPolarHBondContact CD1-OG 3.44Å; I354-S458 WeakPolarHBondContact CG1-OG 3.26Å; F454-S458 WeakPolarHBondContact O-CB 3.24Å; F454-S458 PolarHBondContact O-N 3.31Å; F454-S458 PolarHBondContact O-OG 3.11Å; L455-S458 WeakPolarHBondContact O-CB 3.47Å; L455-S458 PolarHBondContact O-N 2.88Å; N456-S458 VanDerWaalsContact C-N 3.25Å; N456-S458 PolarHBondContact O-N 3.14Å; S458-C461 PolarHBondContact O-N 2.92Å; S458-I462 WeakPolarHBondContact O-CG1 3.41Å; S458-I462 PolarHBondContact O-N 3.15Å
459	R	85.6	Confident	79.5	Confident	28 Å²	28	31.3 Å²	31.3	11%	0.106	17%	0.173	C	C	.	.	H	α-helix	trans	-63.3	-49.7	178	-71.1	170.3	176.1	122.2	6.6	112	L455 N456 M457 C461 I462 R463 L490 I493 N494 E497	L455-R459 WeakPolarHBondContact O-CG 3.39Å; L455-R459 PolarHBondContact O-N 3.45Å; N456-R459 PolarHBondContact O-N 2.93Å; N456-R459 PolarHBondContact OD1-NH1 2.99Å; M457-R459 PolarHBondContact O-N 2.98Å; R459-C461 VanDerWaalsContact C-N 3.32Å; R459-C461 PolarHBondContact O-N 3.06Å; R459-I462 PolarHBondContact O-N 3.37Å; R459-R463 WeakPolarHBondContact O-CG 3.48Å; R459-R463 PolarHBondContact O-N 2.91Å; R459-L490 HydrophobicContact CB-CD2 3.99Å; R459-L490 HydrophobicContact CG-CD2 3.97Å; R459-I493 HydrophobicContact CG-CD1 4.43Å; R459-I493 HydrophobicContact CG-CG2 4.04Å; R459-N494 PolarHBondContact NE-OD1 3.39Å; R459-N494 VanDerWaalsContact NE-OD1 3.16Å; R459-N494 PolarHBondContact NH2-OD1 3.31Å; R459-E497 IonicContact CZ-OE2 2.71Å; R459-E497 IonicContact NH1-OE2 3.88Å; R459-E497 PolarHBondContact NH1-OE2 3.17Å; R459-E497 IonicContact NH2-OE2 3.92Å; R459-E497 PolarHBondContact NH2-OE2 2.92Å
460	C	87.1	Confident	81	Confident	4 Å²	4	29.3 Å²	29.3	3%	0.027	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-41.8	179	-76.5	0	0	0	0	111.2	S296 F300 N456 M457 I462 R463 A464	S296-C460 VanDerWaalsContact CB-SG 3.54Å; F300-C460 HydrophobicContact CB-CB 4.4Å; F300-C460 HydrophobicContact CD2-CB 4.16Å; N456-C460 PolarHBondContact O-N 2.64Å; M457-C460 PolarHBondContact O-N 3.46Å; C460-I462 PolarHBondContact O-N 3.13Å; C460-R463 PolarHBondContact O-N 3.36Å; C460-A464 VanDerWaalsContact O-CB 3.31Å; C460-A464 WeakPolarHBondContact O-CB 3.13Å; C460-A464 PolarHBondContact O-N 3.5Å
461	C	88.6	Confident	82.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.3	-48.1	174.6	171.6	0	0	0	0	112.4	F300 C347 W350 M457 S458 R459 R463 A464 L465	F300-C461 HydrophobicContact CD1-CB 4.07Å; F300-C461 HydrophobicContact CE1-CB 4.13Å; F300-C461 HydrophobicContact CG-CB 4.27Å; F300-C461 HydrophobicContact CZ-CB 4.44Å; C347-C461 PolarHBondContact O-SG 3.46Å; W350-C461 HydrophobicContact CB-CB 4.5Å; M457-C461 WeakPolarHBondContact O-CB 3.4Å; M457-C461 PolarHBondContact O-N 3.22Å; S458-C461 PolarHBondContact O-N 2.92Å; R459-C461 VanDerWaalsContact C-N 3.32Å; R459-C461 PolarHBondContact O-N 3.06Å; C461-R463 PolarHBondContact O-N 2.92Å; C461-A464 PolarHBondContact O-N 2.87Å; C461-L465 WeakPolarHBondContact O-CG 3.45Å; C461-L465 PolarHBondContact O-N 3.35Å
462	I	87.8	Confident	84	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-44	178.5	-75.2	158.8	0	0	0	111.5	S458 R459 C460 L465 A466 E486 N489 L490 I493	S458-I462 WeakPolarHBondContact O-CG1 3.41Å; S458-I462 PolarHBondContact O-N 3.15Å; R459-I462 PolarHBondContact O-N 3.37Å; C460-I462 PolarHBondContact O-N 3.13Å; I462-L465 PolarHBondContact O-N 2.99Å; I462-A466 WeakPolarHBondContact O-CB 3.36Å; I462-A466 PolarHBondContact O-N 3.14Å; I462-E486 HydrophobicContact CG2-CG 4.31Å; I462-N489 HydrophobicContact CD1-CB 4.04Å; I462-N489 HydrophobicContact CG2-CB 4.01Å; I462-L490 HydrophobicContact CB-CD2 4.5Å; I462-L490 HydrophobicContact CG2-CD2 4.31Å; I462-L490 HydrophobicContact CG2-CG 4.29Å; I462-I493 HydrophobicContact CD1-CD1 3.25Å; I462-I493 HydrophobicContact CD1-CG1 4.37Å
463	R	89.3	Confident	85.2	Confident	109 Å²	109	37.7 Å²	37.7	41%	0.411	18%	0.177	S	C	.	.	H	α-helix	trans	-61.2	-48.2	177.1	-71.8	174	-179.1	171.9	-0.1	111.4	R459 C460 C461 L465 A466 E467 L490	R459-R463 WeakPolarHBondContact O-CG 3.48Å; R459-R463 PolarHBondContact O-N 2.91Å; C460-R463 PolarHBondContact O-N 3.36Å; C461-R463 PolarHBondContact O-N 2.92Å; R463-L465 VanDerWaalsContact C-N 3.35Å; R463-L465 PolarHBondContact O-N 3.49Å; R463-A466 PolarHBondContact O-N 2.95Å; R463-A466 VanDerWaalsContact O-N 3.14Å; R463-E467 WeakPolarHBondContact O-CB 3.29Å; R463-E467 PolarHBondContact O-N 3.41Å; R463-L490 HydrophobicContact CG-CD1 4.17Å; R463-L490 HydrophobicContact CG-CD2 4.43Å
464	A	89.8	Confident	86	Confident	11 Å²	11	43.1 Å²	43.1	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-46	178.9	0	0	0	0	0	112	F300 V301 C460 C461 E467 H468	F300-A464 HydrophobicContact CB-CB 4.15Å; F300-A464 WeakPolarHBondContact O-CB 3.49Å; V301-A464 HydrophobicContact CG2-CB 4.29Å; C460-A464 VanDerWaalsContact O-CB 3.31Å; C460-A464 WeakPolarHBondContact O-CB 3.13Å; C460-A464 PolarHBondContact O-N 3.5Å; C461-A464 PolarHBondContact O-N 2.87Å; A464-E467 PolarHBondContact O-N 3.33Å; A464-H468 WeakPolarHBondContact O-CB 3.38Å; A464-H468 PolarHBondContact O-N 2.67Å
465	L	91.1	Very high	86.9	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-37.8	176.7	-71.2	175	0	0	0	112.5	L344 C347 Q351 C461 I462 R463 K469	L344-L465 HydrophobicContact CD2-CD2 4.18Å; C347-L465 HydrophobicContact CB-CD1 3.97Å; C347-L465 HydrophobicContact CB-CD2 3.57Å; C347-L465 HydrophobicContact CB-CG 3.67Å; Q351-L465 HydrophobicContact CB-CD1 4.07Å; Q351-L465 VanDerWaalsContact CD-CD1 3.46Å; Q351-L465 HydrophobicContact CG-CD1 4.38Å; C461-L465 WeakPolarHBondContact O-CG 3.45Å; C461-L465 PolarHBondContact O-N 3.35Å; I462-L465 PolarHBondContact O-N 2.99Å; R463-L465 VanDerWaalsContact C-N 3.35Å; R463-L465 PolarHBondContact O-N 3.49Å; L465-K469 WeakPolarHBondContact O-CB 3.3Å; L465-K469 VanDerWaalsContact O-CG 3.24Å; L465-K469 WeakPolarHBondContact O-CG 3.29Å; L465-K469 PolarHBondContact O-N 3.04Å; L465-K469 VanDerWaalsContact O-N 3.11Å
466	A	89.9	Confident	87.6	Confident	8 Å²	8	52.1 Å²	52.1	7%	0.066	26%	0.259	C	S	.	.	H	α-helix	trans	-66.6	-44.7	176.8	0	0	0	0	0	111.2	I462 R463 K469 K470 I482 E486	I462-A466 WeakPolarHBondContact O-CB 3.36Å; I462-A466 PolarHBondContact O-N 3.14Å; R463-A466 PolarHBondContact O-N 2.95Å; R463-A466 VanDerWaalsContact O-N 3.14Å; A466-K469 PolarHBondContact O-N 2.94Å; A466-K470 VanDerWaalsContact O-CG 3.3Å; A466-K470 WeakPolarHBondContact O-CG 3.33Å; A466-K470 PolarHBondContact O-N 3.49Å; A466-I482 HydrophobicContact CB-CG2 4.03Å; A466-E486 HydrophobicContact CB-CB 3.82Å; A466-E486 HydrophobicContact CB-CG 3.8Å
467	E	89.1	Confident	88.2	Confident	83 Å²	83	58.6 Å²	58.6	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-45.9	178.7	-166.6	-174.4	153.9	0	0	111.8	R463 A464 K469 K470 K471	R463-E467 WeakPolarHBondContact O-CB 3.29Å; R463-E467 PolarHBondContact O-N 3.41Å; A464-E467 PolarHBondContact O-N 3.33Å; E467-K469 VanDerWaalsContact C-N 3.31Å; E467-K469 PolarHBondContact O-N 3.25Å; E467-K470 PolarHBondContact O-N 3.39Å; E467-K470 VanDerWaalsContact O-N 3.13Å; E467-K471 HydrophobicContact CG-CD 4.4Å; E467-K471 PolarHBondContact O-N 3.07Å; E467-K471 VanDerWaalsContact OE1-CE 3.28Å; E467-K471 WeakPolarHBondContact OE1-CE 3.23Å; E467-K471 IonicContact OE1-NZ 3.23Å; E467-K471 PolarHBondContact OE1-NZ 3.37Å
468	H	90.3	Very high	88.5	Confident	44 Å²	44	65.3 Å²	65.3	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-57.9	-44.2	175.1	-179.9	82	0	0	0	111.3	E340 L344 A464 K470 K471 N472	E340-H468 IonicContact OE1-CE1 3.91Å; E340-H468 PolarHBondContact OE1-CE1 3.06Å; E340-H468 VanDerWaalsContact OE1-CE1 3.25Å; E340-H468 IonicContact OE1-ND1 3.36Å; E340-H468 PolarHBondContact OE1-ND1 3.45Å; E340-H468 VanDerWaalsContact OE1-ND1 3.09Å; L344-H468 WeakPolarHBondContact CD1-CE1 3.37Å; L344-H468 WeakPolarHBondContact CD1-NE2 3.43Å; L344-H468 HydrophobicContact CD2-CB 4.14Å; A464-H468 WeakPolarHBondContact O-CB 3.38Å; A464-H468 PolarHBondContact O-N 2.67Å; H468-K470 PolarHBondContact O-N 3.46Å; H468-K471 PolarHBondContact O-N 2.96Å; H468-N472 PolarHBondContact CE1-ND2 2.83Å; H468-N472 PolarHBondContact NE2-ND2 2.67Å; H468-N472 PolarHBondContact O-N 3.44Å; H468-N472 VanDerWaalsContact O-N 3.12Å
469	K	89.4	Confident	89	Confident	95 Å²	95	70.5 Å²	70.5	41%	0.413	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-39.1	174.9	-73.3	172.9	-177	177.4	0	113	L465 A466 E467 N472 T473 I482	L465-K469 WeakPolarHBondContact O-CB 3.3Å; L465-K469 VanDerWaalsContact O-CG 3.24Å; L465-K469 WeakPolarHBondContact O-CG 3.29Å; L465-K469 PolarHBondContact O-N 3.04Å; L465-K469 VanDerWaalsContact O-N 3.11Å; A466-K469 PolarHBondContact O-N 2.94Å; E467-K469 VanDerWaalsContact C-N 3.31Å; E467-K469 PolarHBondContact O-N 3.25Å; K469-N472 PolarHBondContact O-N 3.49Å; K469-T473 WeakPolarHBondContact O-CB 3.48Å; K469-T473 PolarHBondContact O-N 3.45Å; K469-I482 HydrophobicContact CB-CD1 3.81Å; K469-I482 HydrophobicContact CB-CG1 4.37Å; K469-I482 HydrophobicContact CB-CG2 4.23Å
470	K	90.4	Very high	89.2	Confident	48 Å²	48	72.4 Å²	72.4	21%	0.209	35%	0.346	C	S	.	.	H	α-helix	trans	-66.4	-41.6	177.7	-72.2	173.2	-161.3	-179.1	0	111.5	A466 E467 H468 N472 T473 R479 I482 S483 E486	A466-K470 VanDerWaalsContact O-CG 3.3Å; A466-K470 WeakPolarHBondContact O-CG 3.33Å; A466-K470 PolarHBondContact O-N 3.49Å; E467-K470 PolarHBondContact O-N 3.39Å; E467-K470 VanDerWaalsContact O-N 3.13Å; H468-K470 PolarHBondContact O-N 3.46Å; K470-N472 VanDerWaalsContact C-N 3.31Å; K470-N472 PolarHBondContact O-N 3.03Å; K470-T473 PolarHBondContact O-N 3Å; K470-R479 PolarHBondContact O-NE 3.28Å; K470-R479 PolarHBondContact O-NH2 3.02Å; K470-I482 HydrophobicContact CD-CG2 4.45Å; K470-I482 HydrophobicContact CG-CB 4.18Å; K470-I482 HydrophobicContact CG-CD1 4.41Å; K470-I482 HydrophobicContact CG-CG2 3.83Å; K470-S483 WeakPolarHBondContact CE-OG 3.33Å; K470-S483 PolarHBondContact NZ-OG 2.87Å; K470-E486 WeakPolarHBondContact CE-OE2 3.46Å; K470-E486 IonicContact NZ-OE2 2.72Å; K470-E486 PolarHBondContact NZ-OE2 3.29Å
471	K	89.1	Confident	89.4	Confident	140 Å²	140	77.8 Å²	77.8	61%	0.609	37%	0.371	S	S	*	.	H	α-helix	trans	-60	-41.2	175.9	-78	172.5	168.3	164.5	0	111.5	E467 H468 T473	E467-K471 HydrophobicContact CG-CD 4.4Å; E467-K471 PolarHBondContact O-N 3.07Å; E467-K471 VanDerWaalsContact OE1-CE 3.28Å; E467-K471 WeakPolarHBondContact OE1-CE 3.23Å; E467-K471 IonicContact OE1-NZ 3.23Å; E467-K471 PolarHBondContact OE1-NZ 3.37Å; H468-K471 PolarHBondContact O-N 2.96Å; K471-T473 VanDerWaalsContact C-N 3.28Å; K471-T473 PolarHBondContact O-N 3.47Å
472	N	88.4	Confident	89.5	Confident	109 Å²	109	79.3 Å²	79.3	58%	0.583	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	12	-178.4	-66	-17.2	0	0	0	114.8	H468 K469 K470	H468-N472 PolarHBondContact CE1-ND2 2.83Å; H468-N472 PolarHBondContact NE2-ND2 2.67Å; H468-N472 PolarHBondContact O-N 3.44Å; H468-N472 VanDerWaalsContact O-N 3.12Å; K469-N472 PolarHBondContact O-N 3.49Å; K470-N472 VanDerWaalsContact C-N 3.31Å; K470-N472 PolarHBondContact O-N 3.03Å
473	T	88.7	Confident	89.6	Confident	20 Å²	20	81.3 Å²	81.3	12%	0.123	39%	0.393	C	S	.	.			trans	-126.4	132.6	177.8	-108.2	0	0	0	0	110.6	K469 K470 K471 S475 R478 R479	K469-T473 WeakPolarHBondContact O-CB 3.48Å; K469-T473 PolarHBondContact O-N 3.45Å; K470-T473 PolarHBondContact O-N 3Å; K471-T473 VanDerWaalsContact C-N 3.28Å; K471-T473 PolarHBondContact O-N 3.47Å; T473-S475 WeakPolarHBondContact CG2-O 3.44Å; T473-R478 HydrophobicContact CG2-CB 3.63Å; T473-R479 HydrophobicContact CG2-CG 3.58Å; T473-R479 VanDerWaalsContact O-CZ 3.31Å; T473-R479 PolarHBondContact O-NE 3.4Å; T473-R479 PolarHBondContact O-NH2 3.06Å
474	C	84.1	Confident	89.7	Confident	133 Å²	133	83.5 Å²	83.5	90%	0.899	41%	0.406	S	S	*	.			trans	-94	-18.1	177	-56.2	0	0	0	0	113
475	S	91.1	Very high	89.7	Confident	53 Å²	53	90.7 Å²	90.7	37%	0.371	43%	0.431	S	S	.	.			trans	-78.8	122.7	-178.9	171.5	0	0	0	0	111.9	T473 F477 R478 R479	T473-S475 WeakPolarHBondContact CG2-O 3.44Å; S475-F477 VanDerWaalsContact C-N 3.32Å; S475-F477 PolarHBondContact O-N 2.92Å; S475-F477 PolarHBondContact OG-N 3.35Å; S475-R478 PolarHBondContact O-N 3.14Å; S475-R478 PolarHBondContact OG-N 3.16Å; S475-R479 WeakPolarHBondContact O-CG 3.3Å; S475-R479 PolarHBondContact O-N 2.93Å
476	F	89.2	Confident	89.6	Confident	171 Å²	171	92.2 Å²	92.2	75%	0.75	44%	0.438	S	S	*	.	H	α-helix	trans	-55.6	-45.4	174	-180	-99.4	0	0	0	112	R478 R479 T480	F476-R478 PolarHBondContact O-N 2.89Å; F476-R479 WeakPolarHBondContact O-CB 3.44Å; F476-R479 PolarHBondContact O-N 2.99Å; F476-R479 VanDerWaalsContact O-N 3.12Å; F476-T480 PolarHBondContact O-N 2.9Å; F476-T480 PolarHBondContact O-OG1 3.32Å; F476-T480 VanDerWaalsContact O-OG1 3.12Å
477	F	90.5	Very high	89.6	Confident	155 Å²	155	94.5 Å²	94.5	68%	0.68	46%	0.457	S	S	*	.	H	α-helix	trans	-58.6	-46	178.9	-176.3	-96.3	0	0	0	112.1	S475 R479 T480 Q481	S475-F477 VanDerWaalsContact C-N 3.32Å; S475-F477 PolarHBondContact O-N 2.92Å; S475-F477 PolarHBondContact OG-N 3.35Å; F477-R479 PolarHBondContact O-N 3.35Å; F477-T480 PolarHBondContact O-N 3.41Å; F477-Q481 WeakPolarHBondContact O-CB 3.46Å; F477-Q481 PolarHBondContact O-N 3.2Å
478	R	88.7	Confident	89.5	Confident	152 Å²	152	95 Å²	95	57%	0.574	46%	0.458	S	S	*	.	H	α-helix	trans	-63.8	-39.9	175.7	-73.1	-172.1	178.9	-175.2	0.7	111.9	T473 S475 F476 T480 Q481 I482	T473-R478 HydrophobicContact CG2-CB 3.63Å; S475-R478 PolarHBondContact O-N 3.14Å; S475-R478 PolarHBondContact OG-N 3.16Å; F476-R478 PolarHBondContact O-N 2.89Å; R478-T480 VanDerWaalsContact C-N 3.34Å; R478-T480 PolarHBondContact O-N 3.24Å; R478-Q481 PolarHBondContact O-N 3.44Å; R478-I482 WeakPolarHBondContact O-CD1 3.42Å; R478-I482 WeakPolarHBondContact O-CG1 3.46Å; R478-I482 PolarHBondContact O-N 2.98Å
479	R	90	Very high	89.3	Confident	109 Å²	109	93.8 Å²	93.8	41%	0.411	45%	0.453	S	S	.	.	H	α-helix	trans	-60	-44.7	174.9	-69.2	-171.4	175.1	-161.3	-2.3	111.5	K470 T473 S475 F476 F477 I482 S483	K470-R479 PolarHBondContact O-NE 3.28Å; K470-R479 PolarHBondContact O-NH2 3.02Å; T473-R479 HydrophobicContact CG2-CG 3.58Å; T473-R479 VanDerWaalsContact O-CZ 3.31Å; T473-R479 PolarHBondContact O-NE 3.4Å; T473-R479 PolarHBondContact O-NH2 3.06Å; S475-R479 WeakPolarHBondContact O-CG 3.3Å; S475-R479 PolarHBondContact O-N 2.93Å; F476-R479 WeakPolarHBondContact O-CB 3.44Å; F476-R479 PolarHBondContact O-N 2.99Å; F476-R479 VanDerWaalsContact O-N 3.12Å; F477-R479 PolarHBondContact O-N 3.35Å; R479-I482 PolarHBondContact O-N 2.92Å; R479-S483 PolarHBondContact O-N 3.45Å; R479-S483 PolarHBondContact O-OG 3.44Å
480	T	90.3	Very high	89.2	Confident	69 Å²	69	90.4 Å²	90.4	42%	0.423	44%	0.439	S	S	.	.	H	α-helix	trans	-63.2	-43.6	177.2	-57.1	0	0	0	0	111.4	F476 F477 R478 I482 S483 F484	F476-T480 PolarHBondContact O-N 2.9Å; F476-T480 PolarHBondContact O-OG1 3.32Å; F476-T480 VanDerWaalsContact O-OG1 3.12Å; F477-T480 PolarHBondContact O-N 3.41Å; R478-T480 VanDerWaalsContact C-N 3.34Å; R478-T480 PolarHBondContact O-N 3.24Å; T480-I482 VanDerWaalsContact C-N 3.34Å; T480-I482 PolarHBondContact O-N 3.49Å; T480-S483 PolarHBondContact O-N 3.44Å; T480-F484 PolarHBondContact O-N 3.2Å
481	Q	92.3	Very high	89	Confident	116 Å²	116	95 Å²	95	54%	0.542	46%	0.455	S	S	.	.	H	α-helix	trans	-60.8	-41.7	175.2	-171.8	-175.6	2.4	0	0	112.2	F477 R478 F484 R485	F477-Q481 WeakPolarHBondContact O-CB 3.46Å; F477-Q481 PolarHBondContact O-N 3.2Å; R478-Q481 PolarHBondContact O-N 3.44Å; Q481-F484 PolarHBondContact O-N 3.4Å; Q481-R485 WeakPolarHBondContact O-CB 3.3Å; Q481-R485 PolarHBondContact O-N 2.97Å
482	I	90.1	Very high	88.7	Confident	32 Å²	32	92.1 Å²	92.1	16%	0.164	44%	0.444	C	S	.	.	H	α-helix	trans	-63.9	-45.4	176	-65.4	157.4	0	0	0	110.4	A466 K469 K470 R478 R479 T480 F484 R485 E486	A466-I482 HydrophobicContact CB-CG2 4.03Å; K469-I482 HydrophobicContact CB-CD1 3.81Å; K469-I482 HydrophobicContact CB-CG1 4.37Å; K469-I482 HydrophobicContact CB-CG2 4.23Å; K470-I482 HydrophobicContact CD-CG2 4.45Å; K470-I482 HydrophobicContact CG-CB 4.18Å; K470-I482 HydrophobicContact CG-CD1 4.41Å; K470-I482 HydrophobicContact CG-CG2 3.83Å; R478-I482 WeakPolarHBondContact O-CD1 3.42Å; R478-I482 WeakPolarHBondContact O-CG1 3.46Å; R478-I482 PolarHBondContact O-N 2.98Å; R479-I482 PolarHBondContact O-N 2.92Å; T480-I482 VanDerWaalsContact C-N 3.34Å; T480-I482 PolarHBondContact O-N 3.49Å; I482-F484 VanDerWaalsContact C-N 3.34Å; I482-F484 PolarHBondContact O-N 3.21Å; I482-R485 PolarHBondContact O-N 2.82Å; I482-E486 WeakPolarHBondContact O-CB 3.26Å; I482-E486 PolarHBondContact O-N 2.87Å
483	S	89.9	Confident	88.3	Confident	47 Å²	47	87.5 Å²	87.5	33%	0.329	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-41.2	176.6	-64.9	0	0	0	0	112.3	K470 R479 T480 E486 A487	K470-S483 WeakPolarHBondContact CE-OG 3.33Å; K470-S483 PolarHBondContact NZ-OG 2.87Å; R479-S483 PolarHBondContact O-N 3.45Å; R479-S483 PolarHBondContact O-OG 3.44Å; T480-S483 PolarHBondContact O-N 3.44Å; S483-E486 PolarHBondContact O-N 2.85Å; S483-A487 WeakPolarHBondContact O-CB 3.3Å; S483-A487 PolarHBondContact O-N 2.86Å
484	F	91.6	Very high	88	Confident	154 Å²	154	90.4 Å²	90.4	68%	0.675	43%	0.434	S	S	*	.	H	α-helix	trans	-63.4	-45.1	176.1	-176.5	-96.7	0	0	0	111.5	T480 Q481 I482 E486 A487 F488	T480-F484 PolarHBondContact O-N 3.2Å; Q481-F484 PolarHBondContact O-N 3.4Å; I482-F484 VanDerWaalsContact C-N 3.34Å; I482-F484 PolarHBondContact O-N 3.21Å; F484-E486 PolarHBondContact O-N 2.84Å; F484-A487 PolarHBondContact O-N 2.71Å; F484-F488 WeakPolarHBondContact O-CB 3.44Å; F484-F488 PolarHBondContact O-N 3.32Å
485	R	89.5	Confident	87.8	Confident	163 Å²	163	87.5 Å²	87.5	62%	0.615	41%	0.409	S	S	*	.	H	α-helix	trans	-66.4	-37.4	178.6	-169.5	165	-177.6	172.9	0.5	112.6	Q481 I482 N489	Q481-R485 WeakPolarHBondContact O-CB 3.3Å; Q481-R485 PolarHBondContact O-N 2.97Å; I482-R485 PolarHBondContact O-N 2.82Å; R485-N489 WeakPolarHBondContact O-CB 3.24Å; R485-N489 PolarHBondContact O-N 3.48Å; R485-N489 PolarHBondContact O-ND2 3.46Å
486	E	90.3	Very high	87	Confident	35 Å²	35	87.1 Å²	87.1	16%	0.164	40%	0.401	C	S	.	.	H	α-helix	trans	-59	-51.7	171.1	179.2	-172.4	-174	0	0	111	I462 A466 K470 I482 S483 F484 F488 N489 L490	I462-E486 HydrophobicContact CG2-CG 4.31Å; A466-E486 HydrophobicContact CB-CB 3.82Å; A466-E486 HydrophobicContact CB-CG 3.8Å; K470-E486 WeakPolarHBondContact CE-OE2 3.46Å; K470-E486 IonicContact NZ-OE2 2.72Å; K470-E486 PolarHBondContact NZ-OE2 3.29Å; I482-E486 WeakPolarHBondContact O-CB 3.26Å; I482-E486 PolarHBondContact O-N 2.87Å; S483-E486 PolarHBondContact O-N 2.85Å; F484-E486 PolarHBondContact O-N 2.84Å; E486-F488 VanDerWaalsContact C-N 3.32Å; E486-F488 PolarHBondContact O-N 3.33Å; E486-N489 PolarHBondContact O-N 2.92Å; E486-L490 HydrophobicContact CG-CD1 4Å; E486-L490 WeakPolarHBondContact O-CB 3.32Å; E486-L490 WeakPolarHBondContact O-CG 3.5Å; E486-L490 PolarHBondContact O-N 3.46Å
487	A	88.6	Confident	86.3	Confident	57 Å²	57	80.5 Å²	80.5	47%	0.471	37%	0.373	S	S	.	.	H	α-helix	trans	-59.2	-43.4	179.1	0	0	0	0	0	111.8	S483 F484 L490 W491	S483-A487 WeakPolarHBondContact O-CB 3.3Å; S483-A487 PolarHBondContact O-N 2.86Å; F484-A487 PolarHBondContact O-N 2.71Å; A487-L490 PolarHBondContact O-N 2.9Å; A487-W491 WeakPolarHBondContact O-CB 3.1Å; A487-W491 PolarHBondContact O-N 3.25Å
488	F	88.1	Confident	85.6	Confident	94 Å²	94	77.9 Å²	77.9	41%	0.412	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-48.2	176.6	-176.9	-99	0	0	0	112.3	F484 E486 L490 W491 Q492	F484-F488 WeakPolarHBondContact O-CB 3.44Å; F484-F488 PolarHBondContact O-N 3.32Å; E486-F488 VanDerWaalsContact C-N 3.32Å; E486-F488 PolarHBondContact O-N 3.33Å; F488-L490 PolarHBondContact O-N 3.29Å; F488-W491 HydrophobicContact CD2-CE3 4.36Å; F488-W491 HydrophobicContact CE2-CE3 4.19Å; F488-W491 HydrophobicContact CE2-CZ3 4.15Å; F488-W491 WeakPolarHBondContact O-CB 3.14Å; F488-W491 PolarHBondContact O-N 2.86Å; F488-Q492 HydrophobicContact CD1-CG 4.38Å; F488-Q492 VanDerWaalsContact CE1-CD 3.41Å; F488-Q492 HydrophobicContact CE1-CG 4.02Å; F488-Q492 HydrophobicContact CZ-CG 4.26Å; F488-Q492 WeakPolarHBondContact O-CG 3.32Å; F488-Q492 PolarHBondContact O-N 3.37Å
489	N	85.1	Confident	84.8	Confident	17 Å²	17	74.1 Å²	74.1	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-63	-41.6	178.5	-70.3	-17.6	0	0	0	111.9	I462 R485 E486 W491 Q492 I493	I462-N489 HydrophobicContact CD1-CB 4.04Å; I462-N489 HydrophobicContact CG2-CB 4.01Å; R485-N489 WeakPolarHBondContact O-CB 3.24Å; R485-N489 PolarHBondContact O-N 3.48Å; R485-N489 PolarHBondContact O-ND2 3.46Å; E486-N489 PolarHBondContact O-N 2.92Å; N489-W491 VanDerWaalsContact C-N 3.32Å; N489-Q492 PolarHBondContact O-N 3.45Å; N489-I493 PolarHBondContact O-N 3Å; N489-I493 VanDerWaalsContact O-N 3.16Å
490	L	86.4	Confident	83.7	Confident	25 Å²	25	71.9 Å²	71.9	13%	0.131	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-38	175.8	-71	175.4	0	0	0	111.5	R459 I462 R463 E486 A487 F488 I493 N494	R459-L490 HydrophobicContact CB-CD2 3.99Å; R459-L490 HydrophobicContact CG-CD2 3.97Å; I462-L490 HydrophobicContact CB-CD2 4.5Å; I462-L490 HydrophobicContact CG2-CD2 4.31Å; I462-L490 HydrophobicContact CG2-CG 4.29Å; R463-L490 HydrophobicContact CG-CD1 4.17Å; R463-L490 HydrophobicContact CG-CD2 4.43Å; E486-L490 HydrophobicContact CG-CD1 4Å; E486-L490 WeakPolarHBondContact O-CB 3.32Å; E486-L490 WeakPolarHBondContact O-CG 3.5Å; E486-L490 PolarHBondContact O-N 3.46Å; A487-L490 PolarHBondContact O-N 2.9Å; F488-L490 PolarHBondContact O-N 3.29Å; L490-I493 PolarHBondContact O-N 3.06Å; L490-N494 PolarHBondContact O-N 2.91Å; L490-N494 PolarHBondContact O-ND2 2.91Å
491	W	86.9	Confident	82.7	Confident	144 Å²	144	76 Å²	76	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-43.6	173.9	174.2	81.6	0	0	0	111.8	A487 F488 N489 I493 N494 L495	A487-W491 WeakPolarHBondContact O-CB 3.1Å; A487-W491 PolarHBondContact O-N 3.25Å; F488-W491 HydrophobicContact CD2-CE3 4.36Å; F488-W491 HydrophobicContact CE2-CE3 4.19Å; F488-W491 HydrophobicContact CE2-CZ3 4.15Å; F488-W491 WeakPolarHBondContact O-CB 3.14Å; F488-W491 PolarHBondContact O-N 2.86Å; N489-W491 VanDerWaalsContact C-N 3.32Å; W491-I493 VanDerWaalsContact C-N 3.33Å; W491-I493 PolarHBondContact O-N 3.2Å; W491-N494 PolarHBondContact O-N 3.49Å; W491-L495 HydrophobicContact CH2-CD2 3.9Å; W491-L495 HydrophobicContact CZ2-CD2 4.06Å; W491-L495 HydrophobicContact CZ3-CD2 4.41Å; W491-L495 WeakPolarHBondContact O-CB 3.24Å; W491-L495 PolarHBondContact O-N 2.84Å
492	Q	82.8	Confident	81.6	Confident	79 Å²	79	74.2 Å²	74.2	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-42.7	175.7	-69.6	-178.8	-62.2	0	0	112.3	F488 N489 L495 H496	F488-Q492 HydrophobicContact CD1-CG 4.38Å; F488-Q492 VanDerWaalsContact CE1-CD 3.41Å; F488-Q492 HydrophobicContact CE1-CG 4.02Å; F488-Q492 HydrophobicContact CZ-CG 4.26Å; F488-Q492 WeakPolarHBondContact O-CG 3.32Å; F488-Q492 PolarHBondContact O-N 3.37Å; N489-Q492 PolarHBondContact O-N 3.45Å; Q492-L495 PolarHBondContact O-N 3.03Å; Q492-H496 WeakPolarHBondContact O-CB 3.49Å; Q492-H496 PolarHBondContact O-N 3.05Å
493	I	80.5	Confident	80.3	Confident	13 Å²	13	80.1 Å²	80.1	7%	0.067	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-43.4	176.4	-67.2	175.8	0	0	0	111.1	L455 R459 I462 N489 L490 W491 H496 E497	L455-I493 HydrophobicContact CD2-CG2 3.94Å; R459-I493 HydrophobicContact CG-CD1 4.43Å; R459-I493 HydrophobicContact CG-CG2 4.04Å; I462-I493 HydrophobicContact CD1-CD1 3.25Å; I462-I493 HydrophobicContact CD1-CG1 4.37Å; N489-I493 PolarHBondContact O-N 3Å; N489-I493 VanDerWaalsContact O-N 3.16Å; L490-I493 PolarHBondContact O-N 3.06Å; W491-I493 VanDerWaalsContact C-N 3.33Å; W491-I493 PolarHBondContact O-N 3.2Å; I493-H496 PolarHBondContact O-N 3.18Å; I493-E497 PolarHBondContact O-N 3.29Å
494	N	81.7	Confident	78.7	Confident	81 Å²	81	81 Å²	81	43%	0.433	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-40.8	178.7	-68.5	-14.6	0	0	0	112	R459 L490 W491 H496 E497 L498	R459-N494 PolarHBondContact NE-OD1 3.39Å; R459-N494 VanDerWaalsContact NE-OD1 3.16Å; R459-N494 PolarHBondContact NH2-OD1 3.31Å; L490-N494 PolarHBondContact O-N 2.91Å; L490-N494 PolarHBondContact O-ND2 2.91Å; W491-N494 PolarHBondContact O-N 3.49Å; N494-H496 VanDerWaalsContact C-N 3.31Å; N494-H496 PolarHBondContact O-N 3.48Å; N494-E497 PolarHBondContact O-N 2.91Å; N494-L498 WeakPolarHBondContact O-CB 3.46Å; N494-L498 PolarHBondContact O-N 3Å
495	L	80	Confident	77	Confident	71 Å²	71	78.6 Å²	78.6	37%	0.372	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.1	-179.4	63	0	0	0	111	W491 Q492 L498 I499	W491-L495 HydrophobicContact CH2-CD2 3.9Å; W491-L495 HydrophobicContact CZ2-CD2 4.06Å; W491-L495 HydrophobicContact CZ3-CD2 4.41Å; W491-L495 WeakPolarHBondContact O-CB 3.24Å; W491-L495 PolarHBondContact O-N 2.84Å; Q492-L495 PolarHBondContact O-N 3.03Å; L495-L498 WeakPolarHBondContact O-CB 3.39Å; L495-L498 PolarHBondContact O-N 3.41Å; L495-I499 HydrophobicContact CD1-CD1 4.5Å; L495-I499 HydrophobicContact CG-CD1 4.16Å; L495-I499 VanDerWaalsContact O-CG1 3.3Å; L495-I499 WeakPolarHBondContact O-CG1 3.38Å; L495-I499 PolarHBondContact O-N 3.36Å
496	H	74.5	Confident	75	Confident	46 Å²	46	80.1 Å²	80.1	21%	0.213	40%	0.402	C	S	.	.	H	α-helix	trans	-64.9	-44.9	177.2	-173.9	73.8	0	0	0	112.5	S394 Q492 I493 N494 L498 I499 L500	S394-H496 VanDerWaalsContact CB-NE2 3.33Å; S394-H496 WeakPolarHBondContact CB-NE2 3.38Å; S394-H496 PolarHBondContact O-CE1 3.02Å; S394-H496 PolarHBondContact O-NE2 2.93Å; Q492-H496 WeakPolarHBondContact O-CB 3.49Å; Q492-H496 PolarHBondContact O-N 3.05Å; I493-H496 PolarHBondContact O-N 3.18Å; N494-H496 VanDerWaalsContact C-N 3.31Å; N494-H496 PolarHBondContact O-N 3.48Å; H496-L498 VanDerWaalsContact C-N 3.28Å; H496-L498 PolarHBondContact O-N 3.33Å; H496-I499 PolarHBondContact O-N 2.97Å; H496-L500 WeakPolarHBondContact NE2-CD1 3.36Å; H496-L500 WeakPolarHBondContact O-CG 3.18Å; H496-L500 PolarHBondContact O-N 3.44Å
497	E	75.6	Confident	72.9	Confident	31 Å²	31	83.7 Å²	83.7	15%	0.145	42%	0.422	C	S	.	.	H	α-helix	trans	-58.7	-41.9	173.7	-171.8	178.9	171.9	0	0	111.4	L455 R459 I493 N494 I499 L500 R501	L455-E497 HydrophobicContact CD1-CB 3.93Å; L455-E497 HydrophobicContact CD1-CG 3.86Å; R459-E497 IonicContact CZ-OE2 2.71Å; R459-E497 IonicContact NH1-OE2 3.88Å; R459-E497 PolarHBondContact NH1-OE2 3.17Å; R459-E497 IonicContact NH2-OE2 3.92Å; R459-E497 PolarHBondContact NH2-OE2 2.92Å; I493-E497 PolarHBondContact O-N 3.29Å; N494-E497 PolarHBondContact O-N 2.91Å; E497-I499 PolarHBondContact O-N 3.17Å; E497-L500 PolarHBondContact O-N 2.86Å; E497-R501 WeakPolarHBondContact O-CG 3.47Å; E497-R501 PolarHBondContact O-N 3.42Å; E497-R501 IonicContact OE1-CZ 3.38Å; E497-R501 IonicContact OE1-NE 2.9Å; E497-R501 PolarHBondContact OE1-NE 3.29Å; E497-R501 IonicContact OE1-NH2 3.06Å; E497-R501 PolarHBondContact OE1-NH2 2.94Å
498	L	75.3	Confident	70.8	Confident	100 Å²	100	82 Å²	82	52%	0.524	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-46.1	176.6	-176.1	67.7	0	0	0	111.3	N494 L495 H496 L500 R501 V502	N494-L498 WeakPolarHBondContact O-CB 3.46Å; N494-L498 PolarHBondContact O-N 3Å; L495-L498 WeakPolarHBondContact O-CB 3.39Å; L495-L498 PolarHBondContact O-N 3.41Å; H496-L498 VanDerWaalsContact C-N 3.28Å; H496-L498 PolarHBondContact O-N 3.33Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.48Å; L498-R501 PolarHBondContact O-N 2.89Å; L498-V502 VanDerWaalsContact O-CG2 3.3Å; L498-V502 WeakPolarHBondContact O-CG2 3.1Å; L498-V502 PolarHBondContact O-N 2.95Å
499	I	72.4	Confident	68.8	Low	73 Å²	73	83.7 Å²	83.7	37%	0.374	42%	0.421	S	S	.	.	H	α-helix	trans	-59.9	-43.7	176.8	-69.1	164.5	0	0	0	110.9	L495 H496 E497 V502 K503	L495-I499 HydrophobicContact CD1-CD1 4.5Å; L495-I499 HydrophobicContact CG-CD1 4.16Å; L495-I499 VanDerWaalsContact O-CG1 3.3Å; L495-I499 WeakPolarHBondContact O-CG1 3.38Å; L495-I499 PolarHBondContact O-N 3.36Å; H496-I499 PolarHBondContact O-N 2.97Å; E497-I499 PolarHBondContact O-N 3.17Å; I499-V502 PolarHBondContact O-N 3.25Å; I499-K503 HydrophobicContact CG2-CG 4.47Å; I499-K503 HydrophobicContact CG2-CD 4.21Å; I499-K503 PolarHBondContact O-N 2.96Å; I499-K503 WeakPolarHBondContact O-CG 3.43Å; I499-K503 WeakPolarHBondContact O-CB 3.42Å
500	L	66.7	Low	66.9	Low	62 Å²	62	92.1 Å²	92.1	33%	0.325	45%	0.452	S	S	.	.	H	α-helix	trans	-62.1	-43.5	176.9	-72.1	176.3	0	0	0	111.9	L455 H496 E497 L498 V502 K503 G504	L455-L500 HydrophobicContact CD1-CD1 4.41Å; H496-L500 WeakPolarHBondContact NE2-CD1 3.36Å; H496-L500 WeakPolarHBondContact O-CG 3.18Å; H496-L500 PolarHBondContact O-N 3.44Å; E497-L500 PolarHBondContact O-N 2.86Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.48Å; L500-V502 PolarHBondContact O-N 3.28Å; L500-K503 PolarHBondContact O-N 3.01Å; L500-G504 PolarHBondContact O-N 3.46Å
501	R	67.8	Low	65.1	Low	155 Å²	155	94.1 Å²	94.1	59%	0.585	47%	0.465	S	S	*	.	H	α-helix	trans	-62.5	-41.6	175.7	-72.6	-178.3	-174.6	-164.5	1.6	112	E497 L498 G504 L505	E497-R501 WeakPolarHBondContact O-CG 3.47Å; E497-R501 PolarHBondContact O-N 3.42Å; E497-R501 IonicContact OE1-CZ 3.38Å; E497-R501 IonicContact OE1-NE 2.9Å; E497-R501 PolarHBondContact OE1-NE 3.29Å; E497-R501 IonicContact OE1-NH2 3.06Å; E497-R501 PolarHBondContact OE1-NH2 2.94Å; L498-R501 PolarHBondContact O-N 2.89Å; R501-G504 PolarHBondContact O-N 2.9Å; R501-L505 WeakPolarHBondContact O-CG 3.2Å; R501-L505 PolarHBondContact O-N 2.83Å; R501-L505 VanDerWaalsContact O-N 3.15Å
502	V	69.9	Low	63.2	Low	79 Å²	79	92.6 Å²	92.6	48%	0.479	47%	0.467	S	S	.	.	H	α-helix	trans	-64.7	-45.5	177.2	171.8	0	0	0	0	111	L498 I499 L500 G504 L505	L498-V502 VanDerWaalsContact O-CG2 3.3Å; L498-V502 WeakPolarHBondContact O-CG2 3.1Å; L498-V502 PolarHBondContact O-N 2.95Å; I499-V502 PolarHBondContact O-N 3.25Å; L500-V502 PolarHBondContact O-N 3.28Å; V502-G504 VanDerWaalsContact C-N 3.3Å; V502-G504 PolarHBondContact O-N 3.28Å; V502-L505 PolarHBondContact O-N 3.35Å
503	K	63.7	Low	61.6	Low	156 Å²	156	91.8 Å²	91.8	68%	0.678	47%	0.473	S	S	*	.	H	α-helix	trans	-64.6	-32.6	175.7	-73.8	-176.7	177	-173.8	0	113.1	I499 L500	I499-K503 HydrophobicContact CG2-CG 4.47Å; I499-K503 HydrophobicContact CG2-CD 4.21Å; I499-K503 PolarHBondContact O-N 2.96Å; I499-K503 WeakPolarHBondContact O-CG 3.43Å; I499-K503 WeakPolarHBondContact O-CB 3.42Å; L500-K503 PolarHBondContact O-N 3.01Å
504	G	56.3	Low	59.9	Low	65 Å²	65	96 Å²	96	67%	0.67	50%	0.495	S	S	*	.	H	α-helix	trans	-77	-16.9	178.1	0	0	0	0	0	114.6	L500 R501 V502 K506	L500-G504 PolarHBondContact O-N 3.46Å; R501-G504 PolarHBondContact O-N 2.9Å; V502-G504 VanDerWaalsContact C-N 3.3Å; V502-G504 PolarHBondContact O-N 3.28Å; G504-K506 PolarHBondContact O-N 3.33Å
505	L	55.8	Low	58.2	Low	105 Å²	105	96.5 Å²	96.5	55%	0.55	50%	0.497	S	S	.	.	S	Bend	trans	-75.2	123.5	171	-76.1	157.4	0	0	0	108.6	R501 V502 L507 A508	R501-L505 WeakPolarHBondContact O-CG 3.2Å; R501-L505 PolarHBondContact O-N 2.83Å; R501-L505 VanDerWaalsContact O-N 3.15Å; V502-L505 PolarHBondContact O-N 3.35Å; L505-L507 HydrophobicContact CB-CB 4.46Å; L505-L507 PolarHBondContact O-N 3.49Å; L505-A508 PolarHBondContact O-N 2.88Å
506	K	47.3	Very low	56.7	Low	194 Å²	194	97.3 Å²	97.3	84%	0.843	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-8.5	170.2	-72.8	-177.4	175.5	179.4	0	114.3	G504	G504-K506 PolarHBondContact O-N 3.33Å
507	L	45	Very low	55.6	Low	111 Å²	111	105 Å²	105	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-72.7	-22.9	170.2	-112.6	93	0	0	0	113.4	L505 D509 R510 V511	L505-L507 HydrophobicContact CB-CB 4.46Å; L505-L507 PolarHBondContact O-N 3.49Å; L507-D509 PolarHBondContact O-N 2.99Å; L507-D509 VanDerWaalsContact C-N 3.34Å; L507-R510 CarbonylContact O-C 3.1Å; L507-R510 PolarHBondContact O-N 3.42Å; L507-V511 WeakPolarHBondContact O-CG2 3.43Å; L507-V511 PolarHBondContact O-N 3.35Å; L507-V511 WeakPolarHBondContact O-CB 3.36Å; L507-V511 VanDerWaalsContact O-CB 3.23Å; L507-V511 HydrophobicContact CG-CG2 4.45Å; L507-V511 HydrophobicContact CD2-CG2 4.05Å; L507-V511 HydrophobicContact CB-CG2 4.44Å
508	A	45.2	Very low	53.9	Low	20 Å²	20	108.4 Å²	108.4	17%	0.165	55%	0.554	C	S	.	*	H	α-helix	trans	-62	-42.8	-179.7	0	0	0	0	0	111.5	L505 V511 L512	L505-A508 PolarHBondContact O-N 2.88Å; A508-V511 PolarHBondContact O-N 3.45Å; A508-L512 VanDerWaalsContact O-CB 3.3Å; A508-L512 WeakPolarHBondContact O-CB 3.41Å; A508-L512 VanDerWaalsContact O-CD1 3.3Å; A508-L512 WeakPolarHBondContact O-CD1 3.26Å; A508-L512 PolarHBondContact O-N 3.33Å
509	D	46.6	Very low	52.4	Low	131 Å²	131	111.3 Å²	111.3	70%	0.701	56%	0.562	S	S	*	*	H	α-helix	trans	-68.4	-35.4	175.1	-66.2	-30.8	0	0	0	112.1	L507 A513	L507-D509 PolarHBondContact O-N 2.99Å; L507-D509 VanDerWaalsContact C-N 3.34Å; D509-A513 WeakPolarHBondContact O-CB 3.46Å; D509-A513 PolarHBondContact O-N 3.43Å
510	R	44.4	Very low	50.7	Low	194 Å²	194	112.8 Å²	112.8	73%	0.732	58%	0.576	S	S	*	*	H	α-helix	trans	-73.9	-35	176.9	-73.8	-173.4	171.5	-174.7	-3	112.9	L507 L514	L507-R510 CarbonylContact O-C 3.1Å; L507-R510 PolarHBondContact O-N 3.42Å; R510-L514 VanDerWaalsContact O-CB 3.26Å; R510-L514 PolarHBondContact O-N 3.47Å; R510-L514 WeakPolarHBondContact O-CB 3.45Å
511	V	48.6	Very low	49.4	Very low	67 Å²	67	114 Å²	114	41%	0.406	60%	0.596	S	S	.	*	H	α-helix	trans	-77.2	-39.9	177.5	171.6	0	0	0	0	109.9	L507 A508 L514 I515	L507-V511 WeakPolarHBondContact O-CG2 3.43Å; L507-V511 PolarHBondContact O-N 3.35Å; L507-V511 WeakPolarHBondContact O-CB 3.36Å; L507-V511 VanDerWaalsContact O-CB 3.23Å; L507-V511 HydrophobicContact CG-CG2 4.45Å; L507-V511 HydrophobicContact CD2-CG2 4.05Å; L507-V511 HydrophobicContact CB-CG2 4.44Å; A508-V511 PolarHBondContact O-N 3.45Å; V511-L514 PolarHBondContact O-N 3Å; V511-I515 HydrophobicContact CG1-CD1 3.67Å; V511-I515 HydrophobicContact CG1-CG1 4.36Å; V511-I515 VanDerWaalsContact O-CB 3.32Å; V511-I515 WeakPolarHBondContact O-CB 3.33Å; V511-I515 WeakPolarHBondContact O-CD1 3.25Å; V511-I515 WeakPolarHBondContact O-CG1 3.31Å; V511-I515 PolarHBondContact O-N 3.26Å
512	L	46.9	Very low	47.9	Very low	112 Å²	112	112.8 Å²	112.8	59%	0.586	61%	0.608	S	S	*	*	H	α-helix	trans	-62.5	-42.8	168.3	-99	105.3	0	0	0	111.4	A508 L514 I515 C516	A508-L512 VanDerWaalsContact O-CB 3.3Å; A508-L512 WeakPolarHBondContact O-CB 3.41Å; A508-L512 VanDerWaalsContact O-CD1 3.3Å; A508-L512 WeakPolarHBondContact O-CD1 3.26Å; A508-L512 PolarHBondContact O-N 3.33Å; L512-L514 VanDerWaalsContact C-N 3.35Å; L512-L514 PolarHBondContact O-N 3.4Å; L512-I515 PolarHBondContact O-N 3.1Å; L512-C516 VanDerWaalsContact O-SG 3.33Å; L512-C516 PolarHBondContact O-SG 3.12Å; L512-C516 WeakPolarHBondContact O-CB 3.33Å; L512-C516 VanDerWaalsContact O-CB 3.31Å; L512-C516 PolarHBondContact O-N 3.41Å
513	A	49	Very low	46.3	Very low	61 Å²	61	120.8 Å²	120.8	50%	0.504	65%	0.647	S	S	.	*	H	α-helix	trans	-63.7	-38.9	174.7	0	0	0	0	0	112.3	D509 W517	D509-A513 WeakPolarHBondContact O-CB 3.46Å; D509-A513 PolarHBondContact O-N 3.43Å; A513-W517 VanDerWaalsContact O-CB 3.24Å; A513-W517 WeakPolarHBondContact O-CB 3.47Å; A513-W517 PolarHBondContact O-N 2.91Å
514	L	44.3	Very low	45.5	Very low	103 Å²	103	119.1 Å²	119.1	54%	0.539	65%	0.645	S	S	.	*	H	α-helix	trans	-68	-39.2	176.1	-153.2	93.8	0	0	0	111.8	R510 V511 L512 W517 L518	R510-L514 VanDerWaalsContact O-CB 3.26Å; R510-L514 PolarHBondContact O-N 3.47Å; R510-L514 WeakPolarHBondContact O-CB 3.45Å; V511-L514 PolarHBondContact O-N 3Å; L512-L514 VanDerWaalsContact C-N 3.35Å; L512-L514 PolarHBondContact O-N 3.4Å; L514-W517 PolarHBondContact O-N 3.33Å; L514-L518 WeakPolarHBondContact O-CD1 3.49Å; L514-L518 PolarHBondContact O-N 2.92Å; L514-L518 WeakPolarHBondContact O-CG 3.49Å; L514-L518 VanDerWaalsContact O-CG 3.25Å; L514-L518 WeakPolarHBondContact O-CB 2.97Å; L514-L518 HydrophobicContact CG-CD1 4.14Å; L514-L518 HydrophobicContact CD2-CD1 4Å
515	I	46.2	Very low	44.9	Very low	90 Å²	90	121.9 Å²	121.9	46%	0.462	64%	0.644	S	S	.	*	H	α-helix	trans	-70	-40.8	177.3	-69.9	166.8	0	0	0	110.7	V511 L512 W517 L518 F519	V511-I515 HydrophobicContact CG1-CD1 3.67Å; V511-I515 HydrophobicContact CG1-CG1 4.36Å; V511-I515 VanDerWaalsContact O-CB 3.32Å; V511-I515 WeakPolarHBondContact O-CB 3.33Å; V511-I515 WeakPolarHBondContact O-CD1 3.25Å; V511-I515 WeakPolarHBondContact O-CG1 3.31Å; V511-I515 PolarHBondContact O-N 3.26Å; L512-I515 PolarHBondContact O-N 3.1Å; I515-W517 VanDerWaalsContact C-N 3.28Å; I515-W517 PolarHBondContact O-N 3.39Å; I515-L518 PolarHBondContact O-N 3.12Å; I515-F519 PolarHBondContact O-N 3.48Å
516	C	49	Very low	44.3	Very low	89 Å²	89	122.8 Å²	122.8	60%	0.601	65%	0.649	S	S	*	*	H	α-helix	trans	-66.9	-27.6	172.2	-73.2	0	0	0	0	112.8	L512	L512-C516 VanDerWaalsContact O-SG 3.33Å; L512-C516 PolarHBondContact O-SG 3.12Å; L512-C516 WeakPolarHBondContact O-CB 3.33Å; L512-C516 VanDerWaalsContact O-CB 3.31Å; L512-C516 PolarHBondContact O-N 3.41Å
517	W	52.3	Low	44.1	Very low	207 Å²	207	118.6 Å²	118.6	78%	0.784	64%	0.638	S	S	*	*	H	α-helix	trans	-78.9	-33.9	173.9	-167.3	71.6	0	0	0	112.7	A513 L514 I515	A513-W517 VanDerWaalsContact O-CB 3.24Å; A513-W517 WeakPolarHBondContact O-CB 3.47Å; A513-W517 PolarHBondContact O-N 2.91Å; L514-W517 PolarHBondContact O-N 3.33Å; I515-W517 VanDerWaalsContact C-N 3.28Å; I515-W517 PolarHBondContact O-N 3.39Å
518	L	40	Very low	44	Very low	102 Å²	102	119.1 Å²	119.1	53%	0.534	64%	0.641	S	S	.	*	H	α-helix	trans	-80.1	-22.9	178.4	-75.9	163.6	0	0	0	113.7	L514 I515	L514-L518 WeakPolarHBondContact O-CD1 3.49Å; L514-L518 PolarHBondContact O-N 2.92Å; L514-L518 WeakPolarHBondContact O-CG 3.49Å; L514-L518 VanDerWaalsContact O-CG 3.25Å; L514-L518 WeakPolarHBondContact O-CB 2.97Å; L514-L518 HydrophobicContact CG-CD1 4.14Å; L514-L518 HydrophobicContact CD2-CD1 4Å; I515-L518 PolarHBondContact O-N 3.12Å
519	F	42.2	Very low	44	Very low	162 Å²	162	125.7 Å²	125.7	71%	0.711	67%	0.673	S	S	*	*			trans	-131.4	74.6	177.5	-65.7	-83.1	0	0	0	111.1	I515 A521	I515-F519 PolarHBondContact O-N 3.48Å; F519-A521 PolarHBondContact O-N 3.32Å
520	P	37.1	Very low	43.8	Very low	103 Å²	103	125.4 Å²	125.4	67%	0.669	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-62.9	127.1	167	26.3	-30.3	0	0	0	108.5
521	A	39.1	Very low	43.7	Very low	89 Å²	89	120.1 Å²	120.1	74%	0.736	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-57.1	140.6	176.9	0	0	0	0	0	110.1	F519 L523	F519-A521 PolarHBondContact O-N 3.32Å; A521-L523 PolarHBondContact O-N 3.47Å
522	P	38.1	Very low	43.3	Very low	128 Å²	128	124.5 Å²	124.5	83%	0.831	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-63.7	136.5	170.7	4.7	6.6	0	0	0	109
523	L	35.8	Very low	43	Very low	248 Å²	248	125.6 Å²	125.6	100%	1.298	70%	0.697	S	S	*	*			trans	-49.6	0	177.5	-87.3	152.8	0	0	0	113.7	A521	A521-L523 PolarHBondContact O-N 3.47Å

Retrieved 523 of 523 residues in 664.7 ms (Link to these results)

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