A0A087YDM4_POEFO Loading...

Ras protein specific guanine nucleotide releasing factor 1

AlphaFold DB , UniProt , Accession A0A087YDM4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 664 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	41.5	Very low	214 Å²	214	131.9 Å²	131.9	100%	1.054	68%	0.678	S	S	*	*				0	-30.8	0	-158.2	172.1	-92.5	0	0	113.2	N3	M1-N3 PolarHBondContact O-N 3.36Å
2	M	33.7	Very low	43	Very low	84 Å²	84	130 Å²	130	41%	0.414	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-59.2	-41.9	-179.1	-71	-178.4	173.9	0	0	115.2	A4 F5 Y24	M2-A4 PolarHBondContact O-N 2.71Å; M2-F5 PolarHBondContact O-N 2.68Å; M2-Y24 HydrophobicContact CE-CD2 4.24Å; M2-Y24 HydrophobicContact CE-CE1 4.21Å; M2-Y24 HydrophobicContact CE-CE2 3.8Å
3	N	36.9	Very low	44.5	Very low	142 Å²	142	121 Å²	121	76%	0.759	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-62.2	-17.2	-167.8	-54.9	35.5	0	0	0	115.4	M1 F5	M1-N3 PolarHBondContact O-N 3.36Å; N3-F5 VanDerWaalsContact C-N 3.34Å; N3-F5 PolarHBondContact O-N 3.4Å
4	A	37.6	Very low	46.4	Very low	75 Å²	75	117.1 Å²	117.1	62%	0.62	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-84.6	-1.2	-175.8	0	0	0	0	0	114.5	M2	M2-A4 PolarHBondContact O-N 2.71Å
5	F	40.7	Very low	47.8	Very low	164 Å²	164	118 Å²	118	72%	0.719	62%	0.617	S	S	*	*	S	Bend	trans	-130.6	7.8	-172.6	-67.1	-76.8	0	0	0	114.7	M2 N3	M2-F5 PolarHBondContact O-N 2.68Å; N3-F5 VanDerWaalsContact C-N 3.34Å; N3-F5 PolarHBondContact O-N 3.4Å
6	E	42.8	Very low	49.3	Very low	81 Å²	81	111.7 Å²	111.7	38%	0.379	58%	0.583	S	S	.	*	S	Bend	trans	-80.3	-26.5	177.4	-62.4	-155.4	105.4	0	0	113.3	N8 K18	E6-N8 VanDerWaalsContact C-N 3.29Å; E6-N8 PolarHBondContact O-N 3.43Å; E6-N8 VanDerWaalsContact O-N 3.14Å; E6-K18 WeakPolarHBondContact OE1-CE 3.43Å; E6-K18 IonicContact OE1-NZ 3.97Å; E6-K18 PolarHBondContact OE1-NZ 3.32Å; E6-K18 IonicContact OE2-NZ 2.94Å; E6-K18 PolarHBondContact OE2-NZ 2.9Å
7	E	42.2	Very low	50.7	Low	175 Å²	175	105.4 Å²	105.4	82%	0.818	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-24.9	-169.4	-62	-172.5	131.3	0	0	115.5
8	N	39.8	Very low	51.8	Low	159 Å²	159	102.6 Å²	102.6	85%	0.85	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	14.2	-169.1	-75.7	-52.7	0	0	0	115.4	E6	E6-N8 VanDerWaalsContact C-N 3.29Å; E6-N8 PolarHBondContact O-N 3.43Å; E6-N8 VanDerWaalsContact O-N 3.14Å
9	S	43.7	Very low	53	Low	55 Å²	55	99.8 Å²	99.8	39%	0.385	52%	0.523	S	S	.	.			trans	-152.7	117.9	179.4	168.1	0	0	0	0	114	V11 K40	S9-V11 PolarHBondContact O-N 3.17Å; S9-K40 PolarHBondContact O-NZ 3.19Å; S9-K40 WeakPolarHBondContact OG-CE 3.35Å; S9-K40 PolarHBondContact OG-NZ 3.44Å
10	K	48.6	Very low	54.4	Low	216 Å²	216	95.1 Å²	95.1	94%	0.939	50%	0.498	S	S	*	.	S	Bend	trans	-57.1	-10	-177.7	-65.1	-177.4	177.7	179.5	0	116.2	T12	K10-T12 PolarHBondContact O-N 3.43Å
11	V	52.3	Low	55.5	Low	86 Å²	86	95.4 Å²	95.4	52%	0.521	50%	0.504	S	S	.	.			trans	-88.1	96.4	179.5	-177.2	0	0	0	0	109.7	S9 K40	S9-V11 PolarHBondContact O-N 3.17Å; V11-K40 VanDerWaalsContact O-CE 3.27Å; V11-K40 WeakPolarHBondContact O-CE 3.43Å; V11-K40 PolarHBondContact O-NZ 3.27Å
12	T	59.2	Low	57.5	Low	109 Å²	109	87.8 Å²	87.8	67%	0.669	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-71.7	130.2	173.8	-53	0	0	0	0	110.3	K10 P14	K10-T12 PolarHBondContact O-N 3.43Å; T12-P14 WeakPolarHBondContact O-CD 3.09Å
13	V	63.1	Low	59.7	Low	13 Å²	13	84.1 Å²	84.1	8%	0.079	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-73	125.7	177.1	-173.6	0	0	0	0	109.7	I17 K18 K40	V13-I17 HydrophobicContact CG1-CB 3.8Å; V13-I17 HydrophobicContact CG1-CG2 3.52Å; V13-K18 HydrophobicContact CB-CD 4.49Å; V13-K18 HydrophobicContact CB-CG 3.95Å; V13-K18 HydrophobicContact CG1-CG 3.88Å; V13-K18 WeakPolarHBondContact O-CE 3.21Å; V13-K40 HydrophobicContact CG2-CB 3.59Å; V13-K40 HydrophobicContact CG2-CD 3.75Å; V13-K40 HydrophobicContact CG2-CG 4.25Å
14	P	70	Confident	61.7	Low	67 Å²	67	79.8 Å²	79.8	44%	0.435	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-51.2	139.8	174	-29.1	34.3	0	0	0	113	T12 M16 I17 K18	T12-P14 WeakPolarHBondContact O-CD 3.09Å; P14-M16 VanDerWaalsContact C-N 3.25Å; P14-M16 HydrophobicContact CB-CG 3.87Å; P14-M16 PolarHBondContact O-N 3.28Å; P14-I17 HydrophobicContact CB-CD1 4.29Å; P14-I17 HydrophobicContact CB-CG1 4.4Å; P14-I17 HydrophobicContact CG-CD1 4.11Å; P14-I17 WeakPolarHBondContact O-CB 3.47Å; P14-I17 PolarHBondContact O-N 3.09Å; P14-K18 PolarHBondContact O-N 3Å; P14-K18 VanDerWaalsContact O-N 3.1Å
15	Q	67.7	Low	63.9	Low	130 Å²	130	79.8 Å²	79.8	61%	0.607	42%	0.423	S	S	*	.	H	α-helix	trans	-59.6	-36.7	-176.4	-172.1	65.7	1.2	0	0	112.5	I17 K18 S19	Q15-I17 PolarHBondContact O-N 2.78Å; Q15-I17 VanDerWaalsContact O-N 3.14Å; Q15-K18 PolarHBondContact O-N 3.47Å; Q15-K18 VanDerWaalsContact O-N 3.14Å; Q15-S19 WeakPolarHBondContact O-CB 3.35Å; Q15-S19 PolarHBondContact O-N 3.41Å; Q15-S19 PolarHBondContact O-OG 3.37Å
16	M	72.8	Confident	66.2	Low	17 Å²	17	76 Å²	76	8%	0.084	41%	0.41	C	S	.	.	H	α-helix	trans	-60	-17.5	174.1	60.1	173.4	66.4	0	0	115.2	P14 R60 L105 F106 S109 A293	P14-M16 VanDerWaalsContact C-N 3.25Å; P14-M16 HydrophobicContact CB-CG 3.87Å; P14-M16 PolarHBondContact O-N 3.28Å; M16-R60 PolarHBondContact O-NH1 3.37Å; M16-R60 HydrophobicContact SD-CB 4.39Å; M16-R60 HydrophobicContact SD-CG 3.85Å; M16-L105 WeakPolarHBondContact CB-O 3.48Å; M16-F106 HydrophobicContact CE-CD2 4.03Å; M16-F106 VanDerWaalsContact CE-O 3.29Å; M16-F106 WeakPolarHBondContact CE-O 3.44Å; M16-F106 HydrophobicContact SD-CD2 3.94Å; M16-S109 WeakPolarHBondContact CE-OG 3.46Å; M16-A293 HydrophobicContact CE-CB 4.25Å
17	I	71.7	Confident	68.5	Low	5 Å²	5	75.6 Å²	75.6	3%	0.026	41%	0.41	C	S	.	.	H	α-helix	trans	-93.5	-48.9	172.4	-66.4	175.7	0	0	0	108.8	V13 P14 Q15 S19 D20 L23 Y24 V41 R60 F61	V13-I17 HydrophobicContact CG1-CB 3.8Å; V13-I17 HydrophobicContact CG1-CG2 3.52Å; P14-I17 HydrophobicContact CB-CD1 4.29Å; P14-I17 HydrophobicContact CB-CG1 4.4Å; P14-I17 HydrophobicContact CG-CD1 4.11Å; P14-I17 WeakPolarHBondContact O-CB 3.47Å; P14-I17 PolarHBondContact O-N 3.09Å; Q15-I17 PolarHBondContact O-N 2.78Å; Q15-I17 VanDerWaalsContact O-N 3.14Å; I17-S19 PolarHBondContact O-N 2.94Å; I17-S19 VanDerWaalsContact O-N 3.15Å; I17-D20 PolarHBondContact O-N 2.96Å; I17-D20 VanDerWaalsContact O-N 3.08Å; I17-L23 HydrophobicContact CB-CD1 4.38Å; I17-L23 HydrophobicContact CG2-CD1 3.78Å; I17-Y24 WeakPolarHBondContact O-CE2 3.3Å; I17-V41 HydrophobicContact CG2-CG2 3.61Å; I17-R60 HydrophobicContact CD1-CB 4.3Å; I17-R60 WeakPolarHBondContact CD1-O 3.38Å; I17-R60 HydrophobicContact CG1-CB 4.11Å; I17-F61 HydrophobicContact CB-CE1 4.42Å; I17-F61 HydrophobicContact CD1-CD1 3.91Å; I17-F61 HydrophobicContact CD1-CE1 3.68Å; I17-F61 HydrophobicContact CG1-CD1 4.41Å; I17-F61 HydrophobicContact CG1-CE1 3.7Å; I17-F61 HydrophobicContact CG1-CZ 4.41Å; I17-F61 HydrophobicContact CG2-CE1 3.98Å
18	K	71.9	Confident	70.7	Confident	54 Å²	54	72.6 Å²	72.6	24%	0.235	40%	0.403	C	S	.	.	H	α-helix	trans	-55.4	-32.4	176.7	-67.2	-171	175.6	-171.3	0	113.3	E6 V13 P14 Q15	E6-K18 WeakPolarHBondContact OE1-CE 3.43Å; E6-K18 IonicContact OE1-NZ 3.97Å; E6-K18 PolarHBondContact OE1-NZ 3.32Å; E6-K18 IonicContact OE2-NZ 2.94Å; E6-K18 PolarHBondContact OE2-NZ 2.9Å; V13-K18 HydrophobicContact CB-CD 4.49Å; V13-K18 HydrophobicContact CB-CG 3.95Å; V13-K18 HydrophobicContact CG1-CG 3.88Å; V13-K18 WeakPolarHBondContact O-CE 3.21Å; P14-K18 PolarHBondContact O-N 3Å; P14-K18 VanDerWaalsContact O-N 3.1Å; Q15-K18 PolarHBondContact O-N 3.47Å; Q15-K18 VanDerWaalsContact O-N 3.14Å
19	S	74.8	Confident	73.2	Confident	50 Å²	50	67.1 Å²	67.1	35%	0.35	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.8	-178.9	60.9	0	0	0	0	115	Q15 I17	Q15-S19 WeakPolarHBondContact O-CB 3.35Å; Q15-S19 PolarHBondContact O-N 3.41Å; Q15-S19 PolarHBondContact O-OG 3.37Å; I17-S19 PolarHBondContact O-N 2.94Å; I17-S19 VanDerWaalsContact O-N 3.15Å
20	D	79.6	Confident	75.6	Confident	5 Å²	5	65 Å²	65	3%	0.027	36%	0.359	C	S	.	.			trans	-97.8	100.4	-176.6	-168.2	-9.1	0	0	0	111.1	I17 S22 L23 Y24 R60 L105	I17-D20 PolarHBondContact O-N 2.96Å; I17-D20 VanDerWaalsContact O-N 3.08Å; D20-S22 VanDerWaalsContact CG-OG 3.24Å; D20-S22 PolarHBondContact O-N 2.87Å; D20-S22 WeakPolarHBondContact OD1-CB 3.36Å; D20-S22 PolarHBondContact OD1-N 2.78Å; D20-S22 VanDerWaalsContact OD1-N 3.11Å; D20-S22 PolarHBondContact OD1-OG 3.06Å; D20-S22 PolarHBondContact OD2-OG 3.02Å; D20-L23 HydrophobicContact CB-CD1 3.65Å; D20-L23 HydrophobicContact CB-CG 3.75Å; D20-L23 WeakPolarHBondContact O-CG 3.31Å; D20-L23 PolarHBondContact O-N 2.82Å; D20-Y24 VanDerWaalsContact O-CD2 3.28Å; D20-Y24 WeakPolarHBondContact O-CD2 3.31Å; D20-R60 IonicContact OD2-CZ 3.17Å; D20-R60 VanDerWaalsContact OD2-CZ 3.31Å; D20-R60 IonicContact OD2-NH1 3.08Å; D20-R60 PolarHBondContact OD2-NH1 2.82Å; D20-R60 IonicContact OD2-NH2 2.71Å; D20-R60 PolarHBondContact OD2-NH2 3.3Å; D20-L105 HydrophobicContact CB-CD1 3.66Å
21	T	78.2	Confident	77.7	Confident	102 Å²	102	58.5 Å²	58.5	63%	0.626	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-64.9	-24.5	179.9	48.4	0	0	0	0	113.3	L23 Y24 C25	T21-L23 PolarHBondContact O-N 3.14Å; T21-L23 VanDerWaalsContact O-N 3.11Å; T21-Y24 PolarHBondContact O-N 3.09Å; T21-C25 WeakPolarHBondContact O-CB 3.49Å; T21-C25 PolarHBondContact O-N 2.8Å; T21-C25 VanDerWaalsContact O-N 3.08Å
22	S	79.8	Confident	79.6	Confident	55 Å²	55	54.5 Å²	54.5	39%	0.385	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-64.9	-15.3	178.9	71.5	0	0	0	0	113.7	D20 F32	D20-S22 VanDerWaalsContact CG-OG 3.24Å; D20-S22 PolarHBondContact O-N 2.87Å; D20-S22 WeakPolarHBondContact OD1-CB 3.36Å; D20-S22 PolarHBondContact OD1-N 2.78Å; D20-S22 VanDerWaalsContact OD1-N 3.11Å; D20-S22 PolarHBondContact OD1-OG 3.06Å; D20-S22 PolarHBondContact OD2-OG 3.02Å; S22-F32 WeakPolarHBondContact O-CE2 3.22Å
23	L	79.4	Confident	81.1	Confident	6 Å²	6	50 Å²	50	3%	0.031	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-87.2	-10.7	177.8	-47.6	177.6	0	0	0	113.8	I17 D20 T21 V41 F61	I17-L23 HydrophobicContact CB-CD1 4.38Å; I17-L23 HydrophobicContact CG2-CD1 3.78Å; D20-L23 HydrophobicContact CB-CD1 3.65Å; D20-L23 HydrophobicContact CB-CG 3.75Å; D20-L23 WeakPolarHBondContact O-CG 3.31Å; D20-L23 PolarHBondContact O-N 2.82Å; T21-L23 PolarHBondContact O-N 3.14Å; T21-L23 VanDerWaalsContact O-N 3.11Å; L23-V41 HydrophobicContact CB-CG1 3.92Å; L23-F61 HydrophobicContact CD1-CE1 3.82Å; L23-F61 HydrophobicContact CD1-CE2 4.49Å; L23-F61 HydrophobicContact CD1-CZ 3.37Å; L23-F61 HydrophobicContact CD2-CE1 4.43Å; L23-F61 HydrophobicContact CD2-CE2 3.71Å; L23-F61 HydrophobicContact CD2-CZ 3.37Å; L23-F61 HydrophobicContact CG-CZ 3.98Å
24	Y	79.9	Confident	82.2	Confident	52 Å²	52	59.3 Å²	59.3	20%	0.204	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-7	-169.6	-60	-73.2	0	0	0	113	M2 I17 D20 T21 L42	M2-Y24 HydrophobicContact CE-CD2 4.24Å; M2-Y24 HydrophobicContact CE-CE1 4.21Å; M2-Y24 HydrophobicContact CE-CE2 3.8Å; I17-Y24 WeakPolarHBondContact O-CE2 3.3Å; D20-Y24 VanDerWaalsContact O-CD2 3.28Å; D20-Y24 WeakPolarHBondContact O-CD2 3.31Å; T21-Y24 PolarHBondContact O-N 3.09Å; Y24-L42 HydrophobicContact CD1-CG 4.07Å
25	C	84.3	Confident	82.9	Confident	75 Å²	75	61.6 Å²	61.6	51%	0.507	32%	0.322	S	S	.	.	S	Bend	trans	-119.4	141.5	178.8	-65.7	0	0	0	0	109.8	T21 F32	T21-C25 WeakPolarHBondContact O-CB 3.49Å; T21-C25 PolarHBondContact O-N 2.8Å; T21-C25 VanDerWaalsContact O-N 3.08Å; C25-F32 WeakPolarHBondContact O-CD2 3.42Å; C25-F32 VanDerWaalsContact O-CE2 3.3Å; C25-F32 WeakPolarHBondContact O-CE2 3.3Å
26	D	89.4	Confident	83.7	Confident	85 Å²	85	59.9 Å²	59.9	46%	0.455	32%	0.315	S	S	.	.			trans	-73.3	134.9	174.4	-72.1	-4.8	0	0	0	110.3	F32	D26-F32 PolarHBondContact OD1-N 3.25Å
27	D	89.8	Confident	84	Confident	72 Å²	72	60.5 Å²	60.5	39%	0.385	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-113.7	172.5	175	-156.9	-15.2	0	0	0	109.4	D29 I30 R31 R51	D27-D29 VanDerWaalsContact C-N 3.25Å; D27-D29 PolarHBondContact O-N 3.48Å; D27-I30 HydrophobicContact CB-CG2 3.74Å; D27-I30 PolarHBondContact N-O 2.85Å; D27-I30 PolarHBondContact O-N 2.83Å; D27-I30 VanDerWaalsContact O-O 3.13Å; D27-R31 VanDerWaalsContact O-CD 3.27Å; D27-R31 WeakPolarHBondContact O-CD 3.3Å; D27-R31 PolarHBondContact O-NE 2.85Å; D27-R31 PolarHBondContact O-NH1 2.65Å; D27-R51 IonicContact OD2-CZ 3.9Å; D27-R51 IonicContact OD2-NH2 2.76Å; D27-R51 PolarHBondContact OD2-NH2 3.42Å
28	V	89.6	Confident	84.2	Confident	111 Å²	111	63.4 Å²	63.4	67%	0.673	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-43.6	-178.4	179.2	0	0	0	0	111.5
29	D	91.6	Very high	84.3	Confident	44 Å²	44	62.2 Å²	62.2	24%	0.235	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	7.3	-171.3	69.8	-27.6	0	0	0	114.3	D27 A47 S48 R51 L603	D27-D29 VanDerWaalsContact C-N 3.25Å; D27-D29 PolarHBondContact O-N 3.48Å; D29-A47 CarbonylContact O-C 3.52Å; D29-A47 VanDerWaalsContact O-CA 3.27Å; D29-A47 WeakPolarHBondContact O-CA 3.34Å; D29-S48 PolarHBondContact O-N 2.9Å; D29-R51 VanDerWaalsContact CG-NE 3.27Å; D29-R51 IonicContact OD1-CZ 3.79Å; D29-R51 IonicContact OD1-NE 2.74Å; D29-R51 PolarHBondContact OD1-NE 3.33Å; D29-R51 VanDerWaalsContact OD1-NE 3.09Å; D29-R51 IonicContact OD1-NH2 2.68Å; D29-R51 PolarHBondContact OD1-NH2 2.62Å; D29-R51 WeakPolarHBondContact OD2-CD 3.44Å; D29-R51 WeakPolarHBondContact OD2-CG 3.47Å; D29-R51 IonicContact OD2-CZ 3.7Å; D29-R51 IonicContact OD2-NE 3.82Å; D29-R51 PolarHBondContact OD2-NE 3.33Å; D29-R51 IonicContact OD2-NH2 3.35Å; D29-L603 HydrophobicContact CB-CD2 4.34Å
30	I	93.2	Very high	84.5	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.062	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	122.7	172.3	179.3	163.2	0	0	0	111.8	D27 F32 I44 A47 R51	D27-I30 HydrophobicContact CB-CG2 3.74Å; D27-I30 PolarHBondContact N-O 2.85Å; D27-I30 PolarHBondContact O-N 2.83Å; D27-I30 VanDerWaalsContact O-O 3.13Å; I30-F32 HydrophobicContact CD1-CE1 4.12Å; I30-F32 HydrophobicContact CD1-CE2 4.34Å; I30-F32 HydrophobicContact CD1-CZ 3.66Å; I30-F32 HydrophobicContact CG1-CE1 4.31Å; I30-F32 HydrophobicContact CG1-CE2 4.01Å; I30-F32 HydrophobicContact CG1-CZ 3.79Å; I30-I44 HydrophobicContact CD1-CD1 3.75Å; I30-I44 HydrophobicContact CD1-CG1 3.99Å; I30-I44 HydrophobicContact CG1-CG2 4.44Å; I30-A47 HydrophobicContact CB-CB 4.31Å; I30-A47 HydrophobicContact CD1-CB 4.43Å; I30-A47 HydrophobicContact CG1-CB 4.17Å; I30-R51 HydrophobicContact CB-CB 4.3Å; I30-R51 HydrophobicContact CB-CG 4.23Å; I30-R51 HydrophobicContact CD1-CB 4.3Å; I30-R51 HydrophobicContact CG2-CG 4.3Å
31	R	93.5	Very high	84.6	Confident	78 Å²	78	61.7 Å²	61.7	29%	0.294	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.4	-178.9	-49	-62.7	-174.5	176.6	1.3	110.5	D27 R45 Y46 L603	D27-R31 VanDerWaalsContact O-CD 3.27Å; D27-R31 WeakPolarHBondContact O-CD 3.3Å; D27-R31 PolarHBondContact O-NE 2.85Å; D27-R31 PolarHBondContact O-NH1 2.65Å; R31-R45 WeakPolarHBondContact O-CA 3.25Å; R31-R45 WeakPolarHBondContact O-CB 3.1Å; R31-R45 PolarHBondContact O-N 2.7Å; R31-Y46 HydrophobicContact CB-CD2 3.99Å; R31-Y46 HydrophobicContact CG-CD2 4.16Å; R31-Y46 PolarHBondContact N-O 2.59Å; R31-Y46 PolarHBondContact O-N 2.75Å; R31-L603 HydrophobicContact CG-CD1 4.37Å
32	F	92.4	Very high	84.9	Confident	3 Å²	3	58 Å²	58	1%	0.013	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	166.1	-174.2	-67.7	-76.6	0	0	0	113.2	S22 C25 D26 I30 L42 I44 R45	S22-F32 WeakPolarHBondContact O-CE2 3.22Å; C25-F32 WeakPolarHBondContact O-CD2 3.42Å; C25-F32 VanDerWaalsContact O-CE2 3.3Å; C25-F32 WeakPolarHBondContact O-CE2 3.3Å; D26-F32 PolarHBondContact OD1-N 3.25Å; I30-F32 HydrophobicContact CD1-CE1 4.12Å; I30-F32 HydrophobicContact CD1-CE2 4.34Å; I30-F32 HydrophobicContact CD1-CZ 3.66Å; I30-F32 HydrophobicContact CG1-CE1 4.31Å; I30-F32 HydrophobicContact CG1-CE2 4.01Å; I30-F32 HydrophobicContact CG1-CZ 3.79Å; F32-L42 HydrophobicContact CB-CB 3.86Å; F32-L42 HydrophobicContact CB-CD1 3.69Å; F32-L42 HydrophobicContact CB-CG 4.44Å; F32-L42 HydrophobicContact CD1-CB 3.67Å; F32-L42 HydrophobicContact CG-CB 3.94Å; F32-L42 HydrophobicContact CG-CD1 4.08Å; F32-I44 HydrophobicContact CD1-CG1 4.2Å; F32-I44 HydrophobicContact CE1-CG1 3.76Å; F32-R45 VanDerWaalsContact O-CZ 3.29Å; F32-R45 PolarHBondContact O-NE 2.9Å; F32-R45 PolarHBondContact O-NH2 3.42Å
33	S	90.5	Very high	85.5	Confident	15 Å²	15	57.1 Å²	57.1	11%	0.105	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	161.4	165.3	80.8	0	0	0	0	110.1	M35 L42 Q43	S33-M35 PolarHBondContact O-N 3.5Å; S33-M35 PolarHBondContact OG-N 3.25Å; S33-L42 WeakPolarHBondContact O-CD2 3.18Å; S33-Q43 PolarHBondContact N-O 2.94Å; S33-Q43 PolarHBondContact OG-O 3.08Å
34	K	86.4	Confident	86.2	Confident	207 Å²	207	57.1 Å²	57.1	90%	0.9	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	-4.8	175.5	-64.2	-179.9	179.8	176.3	0	113.7
35	M	85.2	Confident	86.9	Confident	115 Å²	115	59.2 Å²	59.2	57%	0.567	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	143.2	178.5	-63.6	-173.3	-67.8	0	0	110.9	S33 Q43	S33-M35 PolarHBondContact O-N 3.5Å; S33-M35 PolarHBondContact OG-N 3.25Å; M35-Q43 HydrophobicContact CB-CG 4.47Å; M35-Q43 WeakPolarHBondContact O-CG 3.43Å; M35-Q43 PolarHBondContact O-N 3.17Å
36	M	83.3	Confident	87.4	Confident	94 Å²	94	59 Å²	59	46%	0.463	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	151.8	176.3	-64.9	-67.9	174.1	0	0	111.4	V41 L42 Q43	M36-V41 CarbonylContact C-O 3.47Å; M36-V41 WeakPolarHBondContact CA-O 3.32Å; M36-L42 HydrophobicContact CE-CD2 3.48Å; M36-L42 VanDerWaalsContact CE-CD2 3.48Å; M36-L42 HydrophobicContact CE-CG 4.41Å; M36-L42 HydrophobicContact SD-CD2 3.78Å; M36-L42 HydrophobicContact SD-CG 4.46Å; M36-Q43 PolarHBondContact O-NE2 3.29Å
37	N	79.1	Confident	87.8	Confident	30 Å²	30	55 Å²	55	16%	0.16	27%	0.27	C	S	.	.			trans	-87.3	179	166.8	67.7	18.4	0	0	0	111.4	C39 K40 V41 Q43	N37-C39 PolarHBondContact O-N 2.66Å; N37-C39 VanDerWaalsContact O-N 3.14Å; N37-C39 WeakPolarHBondContact OD1-CA 3.24Å; N37-C39 WeakPolarHBondContact OD1-CB 3.46Å; N37-C39 PolarHBondContact OD1-N 2.64Å; N37-K40 WeakPolarHBondContact O-CA 3.23Å; N37-K40 PolarHBondContact O-N 2.93Å; N37-K40 PolarHBondContact OD1-N 2.92Å; N37-V41 VanDerWaalsContact CG-O 3.23Å; N37-V41 PolarHBondContact N-O 3.03Å; N37-V41 PolarHBondContact OD1-N 3.15Å; N37-V41 PolarHBondContact OD1-O 3.45Å; N37-Q43 HydrophobicContact CB-CG 4.09Å
38	S	76.6	Confident	88.2	Confident	66 Å²	66	52.7 Å²	52.7	46%	0.462	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.4	176.1	36.9	0	0	0	0	114.6	K40 D65	S38-K40 VanDerWaalsContact C-N 3.35Å; S38-D65 VanDerWaalsContact CB-OD2 3.3Å; S38-D65 WeakPolarHBondContact CB-OD2 3.09Å; S38-D65 PolarHBondContact OG-OD2 3.39Å
39	C	74	Confident	88.5	Confident	29 Å²	29	49.5 Å²	49.5	20%	0.196	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.9	173	-57.5	0	0	0	0	113.9	N37 V41 S63	N37-C39 PolarHBondContact O-N 2.66Å; N37-C39 VanDerWaalsContact O-N 3.14Å; N37-C39 WeakPolarHBondContact OD1-CA 3.24Å; N37-C39 WeakPolarHBondContact OD1-CB 3.46Å; N37-C39 PolarHBondContact OD1-N 2.64Å; C39-V41 VanDerWaalsContact C-N 3.28Å; C39-V41 HydrophobicContact CB-CG2 4.38Å; C39-V41 PolarHBondContact O-N 3.25Å; C39-S63 VanDerWaalsContact SG-CA 3.53Å
40	K	78.6	Confident	88.5	Confident	44 Å²	44	52.8 Å²	52.8	19%	0.191	26%	0.255	C	S	.	.	S	Bend	trans	56.6	36.1	-173.1	-56.4	176.2	176.3	176	0	113.8	S9 V11 V13 N37 S38	S9-K40 PolarHBondContact O-NZ 3.19Å; S9-K40 WeakPolarHBondContact OG-CE 3.35Å; S9-K40 PolarHBondContact OG-NZ 3.44Å; V11-K40 VanDerWaalsContact O-CE 3.27Å; V11-K40 WeakPolarHBondContact O-CE 3.43Å; V11-K40 PolarHBondContact O-NZ 3.27Å; V13-K40 HydrophobicContact CG2-CB 3.59Å; V13-K40 HydrophobicContact CG2-CD 3.75Å; V13-K40 HydrophobicContact CG2-CG 4.25Å; N37-K40 WeakPolarHBondContact O-CA 3.23Å; N37-K40 PolarHBondContact O-N 2.93Å; N37-K40 PolarHBondContact OD1-N 2.92Å; S38-K40 VanDerWaalsContact C-N 3.35Å
41	V	81.8	Confident	88.5	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-111.8	151.3	170.2	-175.3	0	0	0	0	108.9	I17 L23 M36 N37 C39 Q43 F61	I17-V41 HydrophobicContact CG2-CG2 3.61Å; L23-V41 HydrophobicContact CB-CG1 3.92Å; M36-V41 CarbonylContact C-O 3.47Å; M36-V41 WeakPolarHBondContact CA-O 3.32Å; N37-V41 VanDerWaalsContact CG-O 3.23Å; N37-V41 PolarHBondContact N-O 3.03Å; N37-V41 PolarHBondContact OD1-N 3.15Å; N37-V41 PolarHBondContact OD1-O 3.45Å; C39-V41 VanDerWaalsContact C-N 3.28Å; C39-V41 HydrophobicContact CB-CG2 4.38Å; C39-V41 PolarHBondContact O-N 3.25Å; V41-Q43 PolarHBondContact O-N 3.45Å; V41-F61 HydrophobicContact CG2-CD1 4.26Å; V41-F61 HydrophobicContact CG2-CE1 3.95Å
42	L	85.6	Confident	88.6	Confident	25 Å²	25	51.3 Å²	51.3	13%	0.131	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	138.5	179.2	-61	-177.7	0	0	0	111.2	Y24 F32 S33 M36	Y24-L42 HydrophobicContact CD1-CG 4.07Å; F32-L42 HydrophobicContact CB-CB 3.86Å; F32-L42 HydrophobicContact CB-CD1 3.69Å; F32-L42 HydrophobicContact CB-CG 4.44Å; F32-L42 HydrophobicContact CD1-CB 3.67Å; F32-L42 HydrophobicContact CG-CB 3.94Å; F32-L42 HydrophobicContact CG-CD1 4.08Å; S33-L42 WeakPolarHBondContact O-CD2 3.18Å; M36-L42 HydrophobicContact CE-CD2 3.48Å; M36-L42 VanDerWaalsContact CE-CD2 3.48Å; M36-L42 HydrophobicContact CE-CG 4.41Å; M36-L42 HydrophobicContact SD-CD2 3.78Å; M36-L42 HydrophobicContact SD-CG 4.46Å
43	Q	90.9	Very high	88.6	Confident	37 Å²	37	51.6 Å²	51.6	17%	0.173	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.8	172.4	-59.5	175.7	14.7	0	0	109.5	S33 M35 M36 N37 V41	S33-Q43 PolarHBondContact N-O 2.94Å; S33-Q43 PolarHBondContact OG-O 3.08Å; M35-Q43 HydrophobicContact CB-CG 4.47Å; M35-Q43 WeakPolarHBondContact O-CG 3.43Å; M35-Q43 PolarHBondContact O-N 3.17Å; M36-Q43 PolarHBondContact O-NE2 3.29Å; N37-Q43 HydrophobicContact CB-CG 4.09Å; V41-Q43 PolarHBondContact O-N 3.45Å
44	I	93.7	Very high	88.6	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	136.9	173.2	-60.9	176.2	0	0	0	109.3	I30 F32 Y46 A47 L52 R55 F66 F606 R610	I30-I44 HydrophobicContact CD1-CD1 3.75Å; I30-I44 HydrophobicContact CD1-CG1 3.99Å; I30-I44 HydrophobicContact CG1-CG2 4.44Å; F32-I44 HydrophobicContact CD1-CG1 4.2Å; F32-I44 HydrophobicContact CE1-CG1 3.76Å; I44-Y46 WeakPolarHBondContact CG2-O 3.47Å; I44-A47 HydrophobicContact CG2-CB 3.7Å; I44-L52 HydrophobicContact CD1-CD2 4.12Å; I44-L52 HydrophobicContact CG2-CD2 4.37Å; I44-R55 HydrophobicContact CD1-CB 4.36Å; I44-R55 HydrophobicContact CD1-CG 4.04Å; I44-F66 HydrophobicContact CD1-CD2 4.49Å; I44-F66 HydrophobicContact CD1-CE2 3.98Å; I44-F606 HydrophobicContact CB-CB 4.47Å; I44-F606 HydrophobicContact CB-CD1 4.13Å; I44-F606 HydrophobicContact CG2-CB 3.95Å; I44-F606 HydrophobicContact CG2-CD1 4.45Å; I44-F606 HydrophobicContact CG2-CG 4.45Å; I44-R610 PolarHBondContact O-NH2 3.45Å
45	R	94.9	Very high	88.8	Confident	96 Å²	96	44.2 Å²	44.2	36%	0.362	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-52	175.1	-163.3	-163.7	-46.6	-170.2	16.7	110.4	R31 F32 F606 S607	R31-R45 WeakPolarHBondContact O-CA 3.25Å; R31-R45 WeakPolarHBondContact O-CB 3.1Å; R31-R45 PolarHBondContact O-N 2.7Å; F32-R45 VanDerWaalsContact O-CZ 3.29Å; F32-R45 PolarHBondContact O-NE 2.9Å; F32-R45 PolarHBondContact O-NH2 3.42Å; R45-F606 PolarHBondContact O-N 3.2Å; R45-S607 WeakPolarHBondContact CG-OG 3.32Å; R45-S607 PolarHBondContact O-N 2.79Å; R45-S607 VanDerWaalsContact O-N 3.08Å
46	Y	96.4	Very high	89	Confident	72 Å²	72	38.8 Å²	38.8	28%	0.282	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.8	176	-48.1	-55.8	0	0	0	108.9	R31 I44 T599 V604 N605	R31-Y46 HydrophobicContact CB-CD2 3.99Å; R31-Y46 HydrophobicContact CG-CD2 4.16Å; R31-Y46 PolarHBondContact N-O 2.59Å; R31-Y46 PolarHBondContact O-N 2.75Å; I44-Y46 WeakPolarHBondContact CG2-O 3.47Å; Y46-T599 HydrophobicContact CD1-CG2 3.49Å; Y46-T599 VanDerWaalsContact CD1-CG2 3.49Å; Y46-T599 HydrophobicContact CD2-CG2 3.92Å; Y46-T599 HydrophobicContact CE1-CG2 3.82Å; Y46-T599 HydrophobicContact CE2-CG2 4.17Å; Y46-T599 HydrophobicContact CG-CG2 3.58Å; Y46-V604 VanDerWaalsContact CA-O 3.28Å; Y46-V604 WeakPolarHBondContact CA-O 3.48Å; Y46-N605 HydrophobicContact CD1-CB 4.31Å; Y46-N605 HydrophobicContact CE1-CB 4.4Å
47	A	97.1	Very high	89.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	154.8	172.2	0	0	0	0	0	112.4	D29 I30 I44 R51 L52 V604	D29-A47 CarbonylContact O-C 3.52Å; D29-A47 VanDerWaalsContact O-CA 3.27Å; D29-A47 WeakPolarHBondContact O-CA 3.34Å; I30-A47 HydrophobicContact CB-CB 4.31Å; I30-A47 HydrophobicContact CD1-CB 4.43Å; I30-A47 HydrophobicContact CG1-CB 4.17Å; I44-A47 HydrophobicContact CG2-CB 3.7Å; A47-R51 HydrophobicContact CB-CB 4.29Å; A47-L52 HydrophobicContact CB-CD2 3.82Å; A47-L52 HydrophobicContact CB-CG 3.83Å; A47-V604 PolarHBondContact N-O 3.08Å; A47-V604 VanDerWaalsContact N-O 3.09Å; A47-V604 WeakPolarHBondContact O-CB 3.4Å; A47-V604 PolarHBondContact O-N 3.42Å
48	S	96.8	Very high	89.5	Confident	23 Å²	23	33.8 Å²	33.8	16%	0.161	16%	0.164	C	C	.	.			trans	-65.8	156.5	166	71.2	0	0	0	0	110.8	D29 E50 R51 L52	D29-S48 PolarHBondContact O-N 2.9Å; S48-E50 PolarHBondContact O-N 3.41Å; S48-R51 PolarHBondContact O-N 3.22Å; S48-R51 WeakPolarHBondContact OG-CG 3.27Å; S48-R51 PolarHBondContact OG-N 3Å; S48-L52 WeakPolarHBondContact O-CG 3.25Å; S48-L52 PolarHBondContact O-N 2.92Å
49	V	95.9	Very high	89.7	Confident	45 Å²	45	31.7 Å²	31.7	27%	0.273	15%	0.148	S	C	.	.	H	α-helix	trans	-56.9	-38.1	175.8	179.9	0	0	0	0	110.9	L52 L53 F77 V604	V49-L52 PolarHBondContact O-N 3.24Å; V49-L53 HydrophobicContact CG1-CD1 4.04Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 2.96Å; V49-F77 HydrophobicContact CG1-CD2 4.17Å; V49-F77 HydrophobicContact CG2-CB 4.18Å; V49-F77 HydrophobicContact CG2-CD2 4.13Å; V49-F77 WeakPolarHBondContact CG2-O 3.5Å; V49-V604 HydrophobicContact CG2-CG2 3.93Å
50	E	93.3	Very high	89.7	Confident	113 Å²	113	31.3 Å²	31.3	53%	0.528	14%	0.142	S	C	.	.	H	α-helix	trans	-63	-48.5	176	178.5	141.9	-123.7	0	0	112.3	S48 L52 L53 E54 K86	S48-E50 PolarHBondContact O-N 3.41Å; E50-L52 VanDerWaalsContact C-N 3.27Å; E50-L52 PolarHBondContact O-N 3.13Å; E50-L53 CarbonylContact O-C 3.51Å; E50-L53 WeakPolarHBondContact O-CA 3.45Å; E50-L53 WeakPolarHBondContact O-CB 3.28Å; E50-L53 PolarHBondContact O-N 3.33Å; E50-L53 VanDerWaalsContact O-N 3.08Å; E50-E54 HydrophobicContact CG-CG 4.48Å; E50-E54 WeakPolarHBondContact O-CG 3.24Å; E50-E54 PolarHBondContact O-N 3.28Å; E50-K86 IonicContact OE1-NZ 3.15Å; E50-K86 PolarHBondContact OE1-NZ 2.79Å
51	R	93	Very high	89.3	Confident	58 Å²	58	29.3 Å²	29.3	22%	0.219	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-29.5	177.9	-65.3	-61.6	-162.5	137.4	25.7	113.1	D27 D29 I30 A47 S48 E54 R55	D27-R51 IonicContact OD2-CZ 3.9Å; D27-R51 IonicContact OD2-NH2 2.76Å; D27-R51 PolarHBondContact OD2-NH2 3.42Å; D29-R51 VanDerWaalsContact CG-NE 3.27Å; D29-R51 IonicContact OD1-CZ 3.79Å; D29-R51 IonicContact OD1-NE 2.74Å; D29-R51 PolarHBondContact OD1-NE 3.33Å; D29-R51 VanDerWaalsContact OD1-NE 3.09Å; D29-R51 IonicContact OD1-NH2 2.68Å; D29-R51 PolarHBondContact OD1-NH2 2.62Å; D29-R51 WeakPolarHBondContact OD2-CD 3.44Å; D29-R51 WeakPolarHBondContact OD2-CG 3.47Å; D29-R51 IonicContact OD2-CZ 3.7Å; D29-R51 IonicContact OD2-NE 3.82Å; D29-R51 PolarHBondContact OD2-NE 3.33Å; D29-R51 IonicContact OD2-NH2 3.35Å; I30-R51 HydrophobicContact CB-CB 4.3Å; I30-R51 HydrophobicContact CB-CG 4.23Å; I30-R51 HydrophobicContact CD1-CB 4.3Å; I30-R51 HydrophobicContact CG2-CG 4.3Å; A47-R51 HydrophobicContact CB-CB 4.29Å; S48-R51 PolarHBondContact O-N 3.22Å; S48-R51 WeakPolarHBondContact OG-CG 3.27Å; S48-R51 PolarHBondContact OG-N 3Å; R51-E54 WeakPolarHBondContact CD-OE2 3.24Å; R51-E54 IonicContact NE-OE2 3.68Å; R51-E54 IonicContact NH1-OE2 2.73Å; R51-R55 WeakPolarHBondContact O-CB 3.33Å; R51-R55 PolarHBondContact O-N 3.41Å
52	L	95.1	Very high	88.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.1	-41.2	171.4	-67.4	177.6	0	0	0	111.6	I44 A47 S48 V49 E50 R55 L56 F66 F70 F77 V604 F606	I44-L52 HydrophobicContact CD1-CD2 4.12Å; I44-L52 HydrophobicContact CG2-CD2 4.37Å; A47-L52 HydrophobicContact CB-CD2 3.82Å; A47-L52 HydrophobicContact CB-CG 3.83Å; S48-L52 WeakPolarHBondContact O-CG 3.25Å; S48-L52 PolarHBondContact O-N 2.92Å; V49-L52 PolarHBondContact O-N 3.24Å; E50-L52 VanDerWaalsContact C-N 3.27Å; E50-L52 PolarHBondContact O-N 3.13Å; L52-R55 PolarHBondContact O-N 3.49Å; L52-L56 PolarHBondContact O-N 3.49Å; L52-F66 HydrophobicContact CD2-CE2 3.91Å; L52-F66 HydrophobicContact CD2-CZ 4.16Å; L52-F70 HydrophobicContact CB-CD2 4.21Å; L52-F70 HydrophobicContact CB-CE2 3.91Å; L52-F77 HydrophobicContact CB-CE2 4.46Å; L52-F77 HydrophobicContact CD1-CD2 4.29Å; L52-F77 HydrophobicContact CD1-CE1 4.31Å; L52-F77 HydrophobicContact CD1-CE2 3.82Å; L52-F77 HydrophobicContact CD1-CZ 3.82Å; L52-V604 HydrophobicContact CD1-CB 3.87Å; L52-V604 HydrophobicContact CD1-CG1 3.92Å; L52-V604 HydrophobicContact CD1-CG2 4.19Å; L52-F606 HydrophobicContact CD1-CD2 3.82Å; L52-F606 HydrophobicContact CD1-CE2 4.37Å; L52-F606 HydrophobicContact CD2-CB 4.27Å; L52-F606 HydrophobicContact CD2-CD1 4.37Å; L52-F606 HydrophobicContact CD2-CD2 3.56Å; L52-F606 HydrophobicContact CD2-CE2 3.93Å; L52-F606 HydrophobicContact CD2-CG 3.8Å; L52-F606 HydrophobicContact CD2-CZ 4.49Å; L52-F606 HydrophobicContact CG-CD2 4.37Å
53	L	93.2	Very high	88.7	Confident	10 Å²	10	33 Å²	33	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-41.4	173.1	-73.2	166.5	0	0	0	112.1	V49 E50 R55 L56 I57 F70 I82 V83 K86	V49-L53 HydrophobicContact CG1-CD1 4.04Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 2.96Å; E50-L53 CarbonylContact O-C 3.51Å; E50-L53 WeakPolarHBondContact O-CA 3.45Å; E50-L53 WeakPolarHBondContact O-CB 3.28Å; E50-L53 PolarHBondContact O-N 3.33Å; E50-L53 VanDerWaalsContact O-N 3.08Å; L53-R55 VanDerWaalsContact C-N 3.31Å; L53-R55 PolarHBondContact O-N 3.07Å; L53-L56 WeakPolarHBondContact O-CB 3.15Å; L53-L56 PolarHBondContact O-N 3.04Å; L53-L56 VanDerWaalsContact O-N 3.17Å; L53-I57 WeakPolarHBondContact O-CG1 3.49Å; L53-I57 PolarHBondContact O-N 3.49Å; L53-I57 VanDerWaalsContact O-N 3.15Å; L53-F70 HydrophobicContact CD2-CE2 4.48Å; L53-F70 HydrophobicContact CD2-CZ 3.84Å; L53-F70 HydrophobicContact CG-CZ 4.48Å; L53-I82 HydrophobicContact CD1-CG2 3.98Å; L53-V83 HydrophobicContact CD2-CG2 4.17Å; L53-K86 HydrophobicContact CB-CG 4.32Å; L53-K86 HydrophobicContact CD2-CB 4.39Å
54	E	90.4	Very high	88.4	Confident	47 Å²	47	36 Å²	36	22%	0.22	17%	0.17	C	C	.	.	H	α-helix	trans	-56.8	-44.6	170.6	-72.9	-169.5	153.6	0	0	111.4	E50 R51 L56 I57 D58 P99	E50-E54 HydrophobicContact CG-CG 4.48Å; E50-E54 WeakPolarHBondContact O-CG 3.24Å; E50-E54 PolarHBondContact O-N 3.28Å; R51-E54 WeakPolarHBondContact CD-OE2 3.24Å; R51-E54 IonicContact NE-OE2 3.68Å; R51-E54 IonicContact NH1-OE2 2.73Å; E54-L56 VanDerWaalsContact C-N 3.28Å; E54-L56 PolarHBondContact O-N 3.01Å; E54-I57 WeakPolarHBondContact O-CG1 3.24Å; E54-I57 PolarHBondContact O-N 2.74Å; E54-D58 PolarHBondContact O-N 2.86Å; E54-P99 HydrophobicContact CG-CG 4.31Å; E54-P99 WeakPolarHBondContact OE1-CG 3.16Å
55	R	89.4	Confident	88.2	Confident	20 Å²	20	38.7 Å²	38.7	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-68.9	-26.6	178.9	-172.3	66.7	86.4	145.8	7	112.6	I44 R51 L52 L53 F61 F66	I44-R55 HydrophobicContact CD1-CB 4.36Å; I44-R55 HydrophobicContact CD1-CG 4.04Å; R51-R55 WeakPolarHBondContact O-CB 3.33Å; R51-R55 PolarHBondContact O-N 3.41Å; L52-R55 PolarHBondContact O-N 3.49Å; L53-R55 VanDerWaalsContact C-N 3.31Å; L53-R55 PolarHBondContact O-N 3.07Å; R55-F61 VanDerWaalsContact NH1-CD2 3.25Å; R55-F66 HydrophobicContact CB-CE1 4.01Å; R55-F66 HydrophobicContact CB-CE2 4.1Å; R55-F66 HydrophobicContact CB-CZ 3.65Å; R55-F66 HydrophobicContact CG-CD1 4.08Å; R55-F66 HydrophobicContact CG-CD2 3.96Å; R55-F66 HydrophobicContact CG-CE1 3.82Å; R55-F66 HydrophobicContact CG-CE2 3.69Å; R55-F66 HydrophobicContact CG-CG 4.17Å; R55-F66 HydrophobicContact CG-CZ 3.62Å
56	L	90.8	Very high	88.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-68.7	-35.9	171.4	-173.4	71.2	0	0	0	112.1	L52 L53 E54 F66 L67 F70 V83 R343 V347	L52-L56 PolarHBondContact O-N 3.49Å; L53-L56 WeakPolarHBondContact O-CB 3.15Å; L53-L56 PolarHBondContact O-N 3.04Å; L53-L56 VanDerWaalsContact O-N 3.17Å; E54-L56 VanDerWaalsContact C-N 3.28Å; E54-L56 PolarHBondContact O-N 3.01Å; L56-F66 HydrophobicContact CB-CE1 4.3Å; L56-L67 HydrophobicContact CD1-CD1 3.51Å; L56-F70 HydrophobicContact CD1-CD1 4.01Å; L56-F70 HydrophobicContact CD1-CE1 4.43Å; L56-F70 HydrophobicContact CD1-CG 4.25Å; L56-F70 HydrophobicContact CD2-CD1 4.13Å; L56-F70 HydrophobicContact CD2-CE1 3.71Å; L56-F70 HydrophobicContact CD2-CZ 4.02Å; L56-V83 HydrophobicContact CD2-CG1 3.75Å; L56-R343 PolarHBondContact O-NE 2.87Å; L56-R343 PolarHBondContact O-NH2 2.97Å; L56-V347 HydrophobicContact CD1-CG1 4.15Å; L56-V347 HydrophobicContact CD1-CG2 4.48Å; L56-V347 HydrophobicContact CD2-CG1 4.36Å; L56-V347 HydrophobicContact CG-CG1 4.29Å
57	I	87.2	Confident	87.9	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-100.1	-9.1	-173.8	69.5	-161.7	0	0	0	114.7	L53 E54 L59 K86 L87 I90	L53-I57 WeakPolarHBondContact O-CG1 3.49Å; L53-I57 PolarHBondContact O-N 3.49Å; L53-I57 VanDerWaalsContact O-N 3.15Å; E54-I57 WeakPolarHBondContact O-CG1 3.24Å; E54-I57 PolarHBondContact O-N 2.74Å; I57-L59 PolarHBondContact O-N 2.99Å; I57-K86 HydrophobicContact CD1-CD 4.45Å; I57-K86 HydrophobicContact CD1-CG 4.05Å; I57-K86 HydrophobicContact CG2-CG 4.41Å; I57-L87 HydrophobicContact CG2-CD2 4.24Å; I57-I90 HydrophobicContact CB-CD1 4.25Å; I57-I90 HydrophobicContact CB-CG1 4.08Å; I57-I90 HydrophobicContact CD1-CD1 3.63Å; I57-I90 HydrophobicContact CD1-CG1 3.8Å; I57-I90 HydrophobicContact CG1-CD1 4.07Å; I57-I90 HydrophobicContact CG1-CG1 4.3Å; I57-I90 HydrophobicContact CG2-CG1 4.11Å
58	D	84.5	Confident	87.7	Confident	15 Å²	15	33.6 Å²	33.6	8%	0.08	17%	0.168	C	C	.	.			trans	-60.1	120.9	-178.5	-167.9	-44.7	0	0	0	112.1	E54 R60 F61	E54-D58 PolarHBondContact O-N 2.86Å; D58-R60 PolarHBondContact O-N 3.4Å; D58-R60 WeakPolarHBondContact OD1-CA 3.31Å; D58-R60 WeakPolarHBondContact OD1-CB 3.21Å; D58-R60 VanDerWaalsContact OD1-CG 3.23Å; D58-R60 WeakPolarHBondContact OD1-CG 3.38Å; D58-R60 IonicContact OD1-CZ 2.73Å; D58-R60 PolarHBondContact OD1-N 3.41Å; D58-R60 IonicContact OD1-NE 3.81Å; D58-R60 PolarHBondContact OD1-NE 2.97Å; D58-R60 IonicContact OD1-NH2 3.09Å; D58-R60 IonicContact OD2-CZ 2.64Å; D58-R60 IonicContact OD2-NE 3.68Å; D58-R60 PolarHBondContact OD2-NE 2.97Å; D58-R60 IonicContact OD2-NH2 2.76Å; D58-R60 PolarHBondContact OD2-NH2 2.72Å; D58-F61 HydrophobicContact CB-CD2 3.63Å; D58-F61 HydrophobicContact CB-CE2 4.07Å; D58-F61 VanDerWaalsContact CG-CE2 3.48Å; D58-F61 PolarHBondContact O-N 3.23Å; D58-F61 WeakPolarHBondContact OD2-CE2 3.44Å
59	L	80.8	Confident	87.6	Confident	22 Å²	22	32.7 Å²	32.7	12%	0.115	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.7	-177.7	-51.1	-175.8	0	0	0	113.6	I57 I98 L103 F106 A339 A340 R343	I57-L59 PolarHBondContact O-N 2.99Å; L59-I98 HydrophobicContact CD1-CD1 3.81Å; L59-I98 HydrophobicContact CD2-CD1 4.02Å; L59-I98 HydrophobicContact CG-CD1 3.98Å; L59-L103 HydrophobicContact CD1-CD2 4.47Å; L59-F106 HydrophobicContact CB-CD2 4.42Å; L59-F106 HydrophobicContact CB-CE2 4.27Å; L59-A339 HydrophobicContact CD1-CB 3.86Å; L59-A339 HydrophobicContact CD2-CB 4.47Å; L59-A340 HydrophobicContact CD2-CB 4.25Å; L59-R343 HydrophobicContact CD2-CB 3.95Å; L59-R343 HydrophobicContact CD2-CG 4.42Å
60	R	73.7	Confident	87.6	Confident	21 Å²	21	30.5 Å²	30.5	8%	0.079	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-22.3	-174.3	-49.9	170.8	-65.7	168.6	-0.7	112.8	M16 I17 D20 D58 S102 F106	M16-R60 PolarHBondContact O-NH1 3.37Å; M16-R60 HydrophobicContact SD-CB 4.39Å; M16-R60 HydrophobicContact SD-CG 3.85Å; I17-R60 HydrophobicContact CD1-CB 4.3Å; I17-R60 WeakPolarHBondContact CD1-O 3.38Å; I17-R60 HydrophobicContact CG1-CB 4.11Å; D20-R60 IonicContact OD2-CZ 3.17Å; D20-R60 VanDerWaalsContact OD2-CZ 3.31Å; D20-R60 IonicContact OD2-NH1 3.08Å; D20-R60 PolarHBondContact OD2-NH1 2.82Å; D20-R60 IonicContact OD2-NH2 2.71Å; D20-R60 PolarHBondContact OD2-NH2 3.3Å; D58-R60 PolarHBondContact O-N 3.4Å; D58-R60 WeakPolarHBondContact OD1-CA 3.31Å; D58-R60 WeakPolarHBondContact OD1-CB 3.21Å; D58-R60 VanDerWaalsContact OD1-CG 3.23Å; D58-R60 WeakPolarHBondContact OD1-CG 3.38Å; D58-R60 IonicContact OD1-CZ 2.73Å; D58-R60 PolarHBondContact OD1-N 3.41Å; D58-R60 IonicContact OD1-NE 3.81Å; D58-R60 PolarHBondContact OD1-NE 2.97Å; D58-R60 IonicContact OD1-NH2 3.09Å; D58-R60 IonicContact OD2-CZ 2.64Å; D58-R60 IonicContact OD2-NE 3.68Å; D58-R60 PolarHBondContact OD2-NE 2.97Å; D58-R60 IonicContact OD2-NH2 2.76Å; D58-R60 PolarHBondContact OD2-NH2 2.72Å; R60-S102 PolarHBondContact NH2-OG 2.68Å; R60-F106 HydrophobicContact CG-CD2 4.32Å
61	F	70	Confident	87.7	Confident	3 Å²	3	25.1 Å²	25.1	1%	0.013	12%	0.123	C	C	.	.			trans	-110.3	100	-171.4	-56.8	-52.1	0	0	0	114.7	I17 L23 V41 R55 D58 S63 R343	I17-F61 HydrophobicContact CB-CE1 4.42Å; I17-F61 HydrophobicContact CD1-CD1 3.91Å; I17-F61 HydrophobicContact CD1-CE1 3.68Å; I17-F61 HydrophobicContact CG1-CD1 4.41Å; I17-F61 HydrophobicContact CG1-CE1 3.7Å; I17-F61 HydrophobicContact CG1-CZ 4.41Å; I17-F61 HydrophobicContact CG2-CE1 3.98Å; L23-F61 HydrophobicContact CD1-CE1 3.82Å; L23-F61 HydrophobicContact CD1-CE2 4.49Å; L23-F61 HydrophobicContact CD1-CZ 3.37Å; L23-F61 HydrophobicContact CD2-CE1 4.43Å; L23-F61 HydrophobicContact CD2-CE2 3.71Å; L23-F61 HydrophobicContact CD2-CZ 3.37Å; L23-F61 HydrophobicContact CG-CZ 3.98Å; V41-F61 HydrophobicContact CG2-CD1 4.26Å; V41-F61 HydrophobicContact CG2-CE1 3.95Å; R55-F61 VanDerWaalsContact NH1-CD2 3.25Å; D58-F61 HydrophobicContact CB-CD2 3.63Å; D58-F61 HydrophobicContact CB-CE2 4.07Å; D58-F61 VanDerWaalsContact CG-CE2 3.48Å; D58-F61 PolarHBondContact O-N 3.23Å; D58-F61 WeakPolarHBondContact OD2-CE2 3.44Å; F61-S63 VanDerWaalsContact C-N 3.27Å; F61-S63 PolarHBondContact O-N 3.1Å; F61-R343 VanDerWaalsContact O-CZ 3.26Å; F61-R343 PolarHBondContact O-NH1 3.16Å; F61-R343 PolarHBondContact O-NH2 3.43Å
62	L	70.5	Confident	87.8	Confident	92 Å²	92	22.5 Å²	22.5	48%	0.482	11%	0.114	S	C	.	.			trans	-92.7	48	171.5	-69.6	156	0	0	0	111.7	I64 F296	L62-I64 PolarHBondContact O-N 3.28Å; L62-I64 VanDerWaalsContact O-N 3.17Å; L62-F296 HydrophobicContact CD1-CZ 3.91Å
63	S	84.3	Confident	87.8	Confident	9 Å²	9	22.5 Å²	22.5	6%	0.063	11%	0.114	C	C	.	.			trans	-79.3	96.2	-179.5	-173.9	0	0	0	0	110.8	C39 F61 D65 F66 L67	C39-S63 VanDerWaalsContact SG-CA 3.53Å; F61-S63 VanDerWaalsContact C-N 3.27Å; F61-S63 PolarHBondContact O-N 3.1Å; S63-D65 PolarHBondContact O-N 2.79Å; S63-F66 PolarHBondContact O-N 2.68Å; S63-F66 VanDerWaalsContact O-N 3.15Å; S63-F66 PolarHBondContact OG-N 2.79Å; S63-L67 PolarHBondContact O-N 2.8Å
64	I	86.4	Confident	87.9	Confident	102 Å²	102	22.4 Å²	22.4	52%	0.523	11%	0.113	S	C	.	.	H	α-helix	trans	-60.5	-34.4	178.9	-61.6	173.2	0	0	0	111.1	L62 L67 N68	L62-I64 PolarHBondContact O-N 3.28Å; L62-I64 VanDerWaalsContact O-N 3.17Å; I64-L67 PolarHBondContact O-N 2.81Å; I64-N68 WeakPolarHBondContact O-CB 3.41Å; I64-N68 PolarHBondContact O-N 3.28Å; I64-N68 PolarHBondContact O-ND2 2.86Å
65	D	87.9	Confident	88.1	Confident	60 Å²	60	23.7 Å²	23.7	32%	0.321	12%	0.116	S	C	.	.	H	α-helix	trans	-68.8	-37.1	176.3	-59.6	-66.7	0	0	0	112.7	S38 S63 T69 R617	S38-D65 VanDerWaalsContact CB-OD2 3.3Å; S38-D65 WeakPolarHBondContact CB-OD2 3.09Å; S38-D65 PolarHBondContact OG-OD2 3.39Å; S63-D65 PolarHBondContact O-N 2.79Å; D65-T69 WeakPolarHBondContact O-CB 3.41Å; D65-T69 PolarHBondContact O-N 2.86Å; D65-T69 PolarHBondContact O-OG1 3.27Å; D65-R617 IonicContact OD1-CZ 3.19Å; D65-R617 IonicContact OD1-NH1 3.71Å; D65-R617 PolarHBondContact OD1-NH1 2.93Å; D65-R617 IonicContact OD1-NH2 2.7Å
66	F	92.8	Very high	88.3	Confident	20 Å²	20	24.3 Å²	24.3	9%	0.088	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-46.6	171	177.5	-90.4	0	0	0	110.7	I44 L52 R55 L56 S63 T69 F70 F606	I44-F66 HydrophobicContact CD1-CD2 4.49Å; I44-F66 HydrophobicContact CD1-CE2 3.98Å; L52-F66 HydrophobicContact CD2-CE2 3.91Å; L52-F66 HydrophobicContact CD2-CZ 4.16Å; R55-F66 HydrophobicContact CB-CE1 4.01Å; R55-F66 HydrophobicContact CB-CE2 4.1Å; R55-F66 HydrophobicContact CB-CZ 3.65Å; R55-F66 HydrophobicContact CG-CD1 4.08Å; R55-F66 HydrophobicContact CG-CD2 3.96Å; R55-F66 HydrophobicContact CG-CE1 3.82Å; R55-F66 HydrophobicContact CG-CE2 3.69Å; R55-F66 HydrophobicContact CG-CG 4.17Å; R55-F66 HydrophobicContact CG-CZ 3.62Å; L56-F66 HydrophobicContact CB-CE1 4.3Å; S63-F66 PolarHBondContact O-N 2.68Å; S63-F66 VanDerWaalsContact O-N 3.15Å; S63-F66 PolarHBondContact OG-N 2.79Å; F66-T69 PolarHBondContact O-N 3.05Å; F66-F70 HydrophobicContact CE1-CB 4.14Å; F66-F70 HydrophobicContact CE1-CD2 4.18Å; F66-F70 HydrophobicContact CE1-CG 4.41Å; F66-F70 HydrophobicContact CZ-CB 4.38Å; F66-F70 AromaticContact CZ-CD2 3.95Å; F66-F70 HydrophobicContact CZ-CD2 3.95Å; F66-F70 WeakPolarHBondContact O-CB 3.47Å; F66-F70 PolarHBondContact O-N 2.93Å; F66-F606 HydrophobicContact CD2-CD1 4.33Å; F66-F606 AromaticContact CD2-CE1 3.37Å; F66-F606 HydrophobicContact CD2-CE1 3.37Å; F66-F606 AromaticContact CD2-CZ 3.55Å; F66-F606 HydrophobicContact CD2-CZ 3.55Å; F66-F606 HydrophobicContact CE2-CD1 4.21Å; F66-F606 AromaticContact CE2-CE1 3.46Å; F66-F606 HydrophobicContact CE2-CE1 3.46Å; F66-F606 VanDerWaalsContact CE2-CE1 3.46Å; F66-F606 HydrophobicContact CE2-CE2 4.09Å; F66-F606 AromaticContact CE2-CZ 3.37Å; F66-F606 HydrophobicContact CE2-CZ 3.37Å; F66-F606 HydrophobicContact CG-CE1 4.41Å; F66-F606 HydrophobicContact CG-CZ 4.39Å; F66-F606 HydrophobicContact CZ-CZ 4.1Å
67	L	92.6	Very high	88.6	Confident	20 Å²	20	25.1 Å²	25.1	11%	0.105	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-47.7	-178.9	-177	58	0	0	0	111.9	L56 S63 I64 F70 L71 V347 H350	L56-L67 HydrophobicContact CD1-CD1 3.51Å; S63-L67 PolarHBondContact O-N 2.8Å; I64-L67 PolarHBondContact O-N 2.81Å; L67-F70 PolarHBondContact O-N 3.46Å; L67-L71 HydrophobicContact CD1-CD1 3.66Å; L67-L71 HydrophobicContact CD1-CG 4.13Å; L67-L71 HydrophobicContact CG-CD1 4Å; L67-L71 WeakPolarHBondContact O-CB 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 3.5Å; L67-V347 HydrophobicContact CD1-CG1 4.26Å; L67-V347 HydrophobicContact CD1-CG2 4.44Å; L67-H350 HydrophobicContact CD2-CB 3.7Å; L67-H350 VanDerWaalsContact CD2-CG 3.49Å; L67-H350 HydrophobicContact CG-CB 4.48Å
68	N	93.1	Very high	89	Confident	21 Å²	21	26 Å²	26	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-60.8	-44.4	172.8	-75.5	-29.1	0	0	0	112	I64 H72 H350	I64-N68 WeakPolarHBondContact O-CB 3.41Å; I64-N68 PolarHBondContact O-N 3.28Å; I64-N68 PolarHBondContact O-ND2 2.86Å; N68-H72 WeakPolarHBondContact O-CB 3.31Å; N68-H72 PolarHBondContact O-N 3.44Å; N68-H72 PolarHBondContact O-ND1 3.02Å; N68-H350 PolarHBondContact OD1-CE1 2.98Å; N68-H350 VanDerWaalsContact OD1-CE1 3.31Å; N68-H350 PolarHBondContact OD1-NE2 3.04Å
69	T	95.3	Very high	89.5	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-46.3	179.7	-57	0	0	0	0	110.9	D65 F66 S73 F606 M609 R610	D65-T69 WeakPolarHBondContact O-CB 3.41Å; D65-T69 PolarHBondContact O-N 2.86Å; D65-T69 PolarHBondContact O-OG1 3.27Å; F66-T69 PolarHBondContact O-N 3.05Å; T69-S73 WeakPolarHBondContact O-CB 3.21Å; T69-S73 PolarHBondContact O-N 2.87Å; T69-S73 PolarHBondContact O-OG 3.3Å; T69-F606 HydrophobicContact CG2-CD1 4.4Å; T69-F606 HydrophobicContact CG2-CE1 3.72Å; T69-F606 HydrophobicContact CG2-CE2 3.91Å; T69-F606 HydrophobicContact CG2-CZ 3.46Å; T69-F606 VanDerWaalsContact CG2-CZ 3.46Å; T69-M609 HydrophobicContact CG2-CB 3.93Å; T69-R610 HydrophobicContact CG2-CB 4.1Å
70	F	96.2	Very high	90.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-52	178.1	-174.6	-77.8	0	0	0	110.6	L52 L53 L56 F66 L67 H72 S73 Y74 F77 V83 F606	L52-F70 HydrophobicContact CB-CD2 4.21Å; L52-F70 HydrophobicContact CB-CE2 3.91Å; L53-F70 HydrophobicContact CD2-CE2 4.48Å; L53-F70 HydrophobicContact CD2-CZ 3.84Å; L53-F70 HydrophobicContact CG-CZ 4.48Å; L56-F70 HydrophobicContact CD1-CD1 4.01Å; L56-F70 HydrophobicContact CD1-CE1 4.43Å; L56-F70 HydrophobicContact CD1-CG 4.25Å; L56-F70 HydrophobicContact CD2-CD1 4.13Å; L56-F70 HydrophobicContact CD2-CE1 3.71Å; L56-F70 HydrophobicContact CD2-CZ 4.02Å; F66-F70 HydrophobicContact CE1-CB 4.14Å; F66-F70 HydrophobicContact CE1-CD2 4.18Å; F66-F70 HydrophobicContact CE1-CG 4.41Å; F66-F70 HydrophobicContact CZ-CB 4.38Å; F66-F70 AromaticContact CZ-CD2 3.95Å; F66-F70 HydrophobicContact CZ-CD2 3.95Å; F66-F70 WeakPolarHBondContact O-CB 3.47Å; F66-F70 PolarHBondContact O-N 2.93Å; L67-F70 PolarHBondContact O-N 3.46Å; F70-H72 PolarHBondContact O-N 2.66Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-S73 VanDerWaalsContact O-N 3.1Å; F70-Y74 WeakPolarHBondContact O-CB 3.13Å; F70-Y74 PolarHBondContact O-N 2.94Å; F70-F77 HydrophobicContact CD2-CE2 4.33Å; F70-F77 AromaticContact CD2-CZ 3.99Å; F70-F77 HydrophobicContact CD2-CZ 3.99Å; F70-F77 AromaticContact CE2-CE2 3.78Å; F70-F77 HydrophobicContact CE2-CE2 3.78Å; F70-F77 AromaticContact CE2-CZ 3.91Å; F70-F77 HydrophobicContact CE2-CZ 3.91Å; F70-F77 HydrophobicContact CZ-CE2 4.18Å; F70-F77 HydrophobicContact CZ-CZ 4.46Å; F70-V83 HydrophobicContact CE1-CG1 4.18Å; F70-V83 HydrophobicContact CE1-CG2 3.74Å; F70-V83 HydrophobicContact CZ-CG2 3.94Å; F70-F606 HydrophobicContact CB-CE2 4.41Å; F70-F606 HydrophobicContact CB-CZ 4.31Å
71	L	95.3	Very high	91.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.6	-32.4	-175.7	-70.8	172.9	0	0	0	113.5	L67 S73 Y74 W351 H355	L67-L71 HydrophobicContact CD1-CD1 3.66Å; L67-L71 HydrophobicContact CD1-CG 4.13Å; L67-L71 HydrophobicContact CG-CD1 4Å; L67-L71 WeakPolarHBondContact O-CB 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 3.5Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 3.03Å; L71-Y74 WeakPolarHBondContact O-CD1 3.32Å; L71-W351 HydrophobicContact CD1-CB 4.11Å; L71-W351 HydrophobicContact CD1-CG 4.35Å; L71-W351 HydrophobicContact CD2-CB 4.3Å; L71-W351 HydrophobicContact CD2-CD2 3.79Å; L71-W351 HydrophobicContact CD2-CE3 4.36Å; L71-W351 HydrophobicContact CD2-CG 3.76Å; L71-H355 VanDerWaalsContact CB-CE1 3.41Å; L71-H355 WeakPolarHBondContact CB-CE1 3.34Å; L71-H355 WeakPolarHBondContact CB-NE2 3.4Å
72	H	94.5	Very high	92.6	Very high	3 Å²	3	32 Å²	32	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-69.1	-28.9	171.4	-68.9	118.7	0	0	0	113.2	N68 F70 H355 Y450 F454 S613 I616 R620	N68-H72 WeakPolarHBondContact O-CB 3.31Å; N68-H72 PolarHBondContact O-N 3.44Å; N68-H72 PolarHBondContact O-ND1 3.02Å; F70-H72 PolarHBondContact O-N 2.66Å; H72-H355 AromaticContact CD2-CE1 3.41Å; H72-H355 PolarHBondContact CD2-CE1 2.89Å; H72-H355 VanDerWaalsContact CD2-CE1 3.41Å; H72-H355 AromaticContact CD2-ND1 3.73Å; H72-H355 AromaticContact CE1-CE1 3.66Å; H72-H355 AromaticContact CG-CE1 3.67Å; H72-H355 AromaticContact ND1-CE1 3.83Å; H72-H355 AromaticContact NE2-CE1 3.41Å; H72-H355 PolarHBondContact NE2-CE1 2.59Å; H72-H355 AromaticContact NE2-ND1 3.95Å; H72-Y450 HydrophobicContact CB-CD2 4.33Å; H72-Y450 HydrophobicContact CB-CE2 4.28Å; H72-Y450 AromaticContact CD2-CD2 3.78Å; H72-Y450 AromaticContact CD2-CE2 3.91Å; H72-Y450 WeakPolarHBondContact O-CE2 3.38Å; H72-F454 WeakPolarHBondContact O-CE2 3.49Å; H72-F454 WeakPolarHBondContact O-CZ 3.33Å; H72-S613 PolarHBondContact ND1-OG 3.19Å; H72-I616 HydrophobicContact CB-CD1 4.42Å; H72-I616 VanDerWaalsContact CD2-CG2 3.45Å; H72-I616 WeakPolarHBondContact CD2-CG2 3.14Å; H72-R620 PolarHBondContact NE2-NH1 3.07Å
73	S	95.6	Very high	93.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-118.6	-1.9	-166.4	68.3	0	0	0	0	116.4	T69 F70 L71 R75 V76 F77 M609	T69-S73 WeakPolarHBondContact O-CB 3.21Å; T69-S73 PolarHBondContact O-N 2.87Å; T69-S73 PolarHBondContact O-OG 3.3Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-S73 VanDerWaalsContact O-N 3.1Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 3.03Å; S73-R75 PolarHBondContact O-N 3.35Å; S73-R75 VanDerWaalsContact O-N 3.09Å; S73-V76 WeakPolarHBondContact O-CB 3.42Å; S73-V76 WeakPolarHBondContact O-CG2 3.45Å; S73-V76 PolarHBondContact O-N 3.41Å; S73-F77 WeakPolarHBondContact O-CE1 3.32Å; S73-M609 WeakPolarHBondContact OG-CB 3.41Å
74	Y	95.6	Very high	94.4	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.027	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-56	-35.9	-172.6	75	-99.1	0	0	0	112.3	F70 L71 V76 F77 T78 A80 V83 W351 D358	F70-Y74 WeakPolarHBondContact O-CB 3.13Å; F70-Y74 PolarHBondContact O-N 2.94Å; L71-Y74 WeakPolarHBondContact O-CD1 3.32Å; Y74-V76 PolarHBondContact O-N 3.44Å; Y74-F77 CarbonylContact O-C 3.42Å; Y74-F77 PolarHBondContact O-N 2.95Å; Y74-T78 CarbonylContact C-O 3.55Å; Y74-T78 HydrophobicContact CD2-CG2 4.13Å; Y74-T78 HydrophobicContact CG-CG2 4.45Å; Y74-T78 PolarHBondContact O-N 2.94Å; Y74-A80 HydrophobicContact CE2-CB 4.01Å; Y74-A80 WeakPolarHBondContact OH-CB 3.43Å; Y74-V83 HydrophobicContact CD2-CG2 4.36Å; Y74-V83 HydrophobicContact CG-CG2 4.43Å; Y74-W351 HydrophobicContact CE1-CZ2 4.05Å; Y74-D358 PolarHBondContact OH-OD2 3.05Å
75	R	93.4	Very high	94.9	Very high	75 Å²	75	25.3 Å²	25.3	28%	0.283	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-54.9	-20.9	178	-65	167	167.6	90.7	-22.2	114.1	S73 F77 T78 D358 Y450 E451	S73-R75 PolarHBondContact O-N 3.35Å; S73-R75 VanDerWaalsContact O-N 3.09Å; R75-F77 VanDerWaalsContact C-N 3.31Å; R75-T78 WeakPolarHBondContact CA-O 3.11Å; R75-D358 IonicContact CZ-OD1 2.84Å; R75-D358 IonicContact CZ-OD2 2.9Å; R75-D358 VanDerWaalsContact NH1-CG 3.27Å; R75-D358 IonicContact NH1-OD1 3.82Å; R75-D358 PolarHBondContact NH1-OD1 3.34Å; R75-D358 IonicContact NH1-OD2 3.49Å; R75-D358 PolarHBondContact NH1-OD2 3.47Å; R75-D358 IonicContact NH2-OD1 3.75Å; R75-D358 PolarHBondContact NH2-OD1 3.38Å; R75-D358 IonicContact NH2-OD2 3.79Å; R75-Y450 PolarHBondContact NH1-OH 3.43Å; R75-E451 IonicContact CZ-OE1 3.19Å; R75-E451 IonicContact NE-OE1 3.76Å; R75-E451 PolarHBondContact NE-OE1 3.11Å; R75-E451 IonicContact NH2-OE1 2.66Å; R75-E451 PolarHBondContact NH2-OE1 3.29Å; R75-E451 IonicContact NH2-OE2 2.82Å
76	V	94.4	Very high	95.2	Very high	32 Å²	32	24.6 Å²	24.6	19%	0.194	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-75.6	-19.3	176	-175.3	0	0	0	0	112.4	S73 Y74 F454 N597 Y598 M609	S73-V76 WeakPolarHBondContact O-CB 3.42Å; S73-V76 WeakPolarHBondContact O-CG2 3.45Å; S73-V76 PolarHBondContact O-N 3.41Å; Y74-V76 PolarHBondContact O-N 3.44Å; V76-F454 HydrophobicContact CG2-CD1 3.52Å; V76-F454 HydrophobicContact CG2-CE1 3.8Å; V76-F454 HydrophobicContact CG2-CG 4.21Å; V76-N597 HydrophobicContact CG1-CB 4.23Å; V76-Y598 PolarHBondContact O-OH 2.95Å; V76-M609 HydrophobicContact CB-CE 4.34Å; V76-M609 HydrophobicContact CB-SD 4.34Å; V76-M609 HydrophobicContact CG1-CE 3.71Å; V76-M609 HydrophobicContact CG1-SD 4.29Å; V76-M609 HydrophobicContact CG2-SD 4.29Å
77	F	95.7	Very high	95.4	Very high	19 Å²	19	23.7 Å²	23.7	8%	0.083	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.8	-4.9	-171.4	61.4	-99.9	0	0	0	116.5	V49 L52 F70 S73 Y74 R75 Y598 V604	V49-F77 HydrophobicContact CG1-CD2 4.17Å; V49-F77 HydrophobicContact CG2-CB 4.18Å; V49-F77 HydrophobicContact CG2-CD2 4.13Å; V49-F77 WeakPolarHBondContact CG2-O 3.5Å; L52-F77 HydrophobicContact CB-CE2 4.46Å; L52-F77 HydrophobicContact CD1-CD2 4.29Å; L52-F77 HydrophobicContact CD1-CE1 4.31Å; L52-F77 HydrophobicContact CD1-CE2 3.82Å; L52-F77 HydrophobicContact CD1-CZ 3.82Å; F70-F77 HydrophobicContact CD2-CE2 4.33Å; F70-F77 AromaticContact CD2-CZ 3.99Å; F70-F77 HydrophobicContact CD2-CZ 3.99Å; F70-F77 AromaticContact CE2-CE2 3.78Å; F70-F77 HydrophobicContact CE2-CE2 3.78Å; F70-F77 AromaticContact CE2-CZ 3.91Å; F70-F77 HydrophobicContact CE2-CZ 3.91Å; F70-F77 HydrophobicContact CZ-CE2 4.18Å; F70-F77 HydrophobicContact CZ-CZ 4.46Å; S73-F77 WeakPolarHBondContact O-CE1 3.32Å; Y74-F77 CarbonylContact O-C 3.42Å; Y74-F77 PolarHBondContact O-N 2.95Å; R75-F77 VanDerWaalsContact C-N 3.31Å; F77-Y598 VanDerWaalsContact CA-OH 3.27Å; F77-Y598 WeakPolarHBondContact CA-OH 3.33Å; F77-Y598 WeakPolarHBondContact CB-OH 3.28Å; F77-V604 HydrophobicContact CB-CG1 4.15Å; F77-V604 HydrophobicContact CB-CG2 3.58Å; F77-V604 HydrophobicContact CD1-CG1 3.52Å; F77-V604 HydrophobicContact CD1-CG2 4.37Å; F77-V604 HydrophobicContact CD2-CG2 4.3Å; F77-V604 HydrophobicContact CE1-CG1 4.03Å; F77-V604 HydrophobicContact CG-CG1 3.88Å; F77-V604 HydrophobicContact CG-CG2 3.86Å
78	T	96.2	Very high	95.6	Very high	20 Å²	20	24 Å²	24	12%	0.123	13%	0.125	C	C	.	.	S	Bend	trans	-163.2	171.7	177.3	-162.1	0	0	0	0	111.1	Y74 R75 I82 V83	Y74-T78 CarbonylContact C-O 3.55Å; Y74-T78 HydrophobicContact CD2-CG2 4.13Å; Y74-T78 HydrophobicContact CG-CG2 4.45Å; Y74-T78 PolarHBondContact O-N 2.94Å; R75-T78 WeakPolarHBondContact CA-O 3.11Å; T78-I82 WeakPolarHBondContact OG1-CB 3.48Å; T78-I82 VanDerWaalsContact OG1-CG2 3.31Å; T78-I82 WeakPolarHBondContact OG1-CG2 3.2Å; T78-V83 HydrophobicContact CG2-CG2 3.86Å
79	S	96	Very high	95.7	Very high	46 Å²	46	26.2 Å²	26.2	32%	0.322	14%	0.139	S	C	.	.			trans	-101.5	165.2	177.6	72.7	0	0	0	0	112.5	D81 I82 V83	S79-D81 VanDerWaalsContact C-N 3.26Å; S79-D81 PolarHBondContact O-N 3.21Å; S79-I82 PolarHBondContact O-N 2.92Å; S79-I82 WeakPolarHBondContact OG-CG1 3.4Å; S79-I82 PolarHBondContact OG-N 3.41Å; S79-V83 WeakPolarHBondContact O-CG2 3.35Å; S79-V83 PolarHBondContact O-N 3.4Å
80	A	95.6	Very high	95.5	Very high	9 Å²	9	26.1 Å²	26.1	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-39.6	175.4	0	0	0	0	0	111	Y74 I82 V83 L84 W351 L365	Y74-A80 HydrophobicContact CE2-CB 4.01Å; Y74-A80 WeakPolarHBondContact OH-CB 3.43Å; A80-I82 PolarHBondContact O-N 3.44Å; A80-V83 PolarHBondContact O-N 3.35Å; A80-L84 WeakPolarHBondContact O-CB 3.47Å; A80-L84 PolarHBondContact O-N 2.96Å; A80-W351 HydrophobicContact CB-CH2 4.13Å; A80-W351 HydrophobicContact CB-CZ2 4.02Å; A80-L365 HydrophobicContact CB-CD1 3.7Å; A80-L365 HydrophobicContact CB-CD2 3.57Å; A80-L365 HydrophobicContact CB-CG 4.23Å
81	D	95.9	Very high	95.4	Very high	50 Å²	50	27.6 Å²	27.6	27%	0.267	14%	0.144	S	C	.	.	H	α-helix	trans	-59.9	-44.6	177.6	-56.2	-81.1	0	0	0	112.3	S79 V83 L84 D85 R368	S79-D81 VanDerWaalsContact C-N 3.26Å; S79-D81 PolarHBondContact O-N 3.21Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 2.88Å; D81-L84 PolarHBondContact O-N 3Å; D81-D85 VanDerWaalsContact O-CB 3.28Å; D81-D85 WeakPolarHBondContact O-CB 3.4Å; D81-D85 PolarHBondContact O-N 3.03Å; D81-R368 IonicContact OD1-CZ 3.65Å; D81-R368 IonicContact OD1-NH1 3.09Å; D81-R368 PolarHBondContact OD1-NH1 3.39Å
82	I	96.5	Very high	95.3	Very high	83 Å²	83	32.7 Å²	32.7	43%	0.426	17%	0.167	S	C	.	.	H	α-helix	trans	-64.2	-38.3	177.4	-66.6	164.8	0	0	0	111.2	L53 T78 S79 A80 K86	L53-I82 HydrophobicContact CD1-CG2 3.98Å; T78-I82 WeakPolarHBondContact OG1-CB 3.48Å; T78-I82 VanDerWaalsContact OG1-CG2 3.31Å; T78-I82 WeakPolarHBondContact OG1-CG2 3.2Å; S79-I82 PolarHBondContact O-N 2.92Å; S79-I82 WeakPolarHBondContact OG-CG1 3.4Å; S79-I82 PolarHBondContact OG-N 3.41Å; A80-I82 PolarHBondContact O-N 3.44Å; I82-K86 WeakPolarHBondContact O-CB 3.37Å; I82-K86 PolarHBondContact O-N 3.5Å
83	V	96.9	Very high	95.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-45.6	175.4	178.8	0	0	0	0	110.6	L53 L56 F70 Y74 T78 S79 A80 D81 L87 W351	L53-V83 HydrophobicContact CD2-CG2 4.17Å; L56-V83 HydrophobicContact CD2-CG1 3.75Å; F70-V83 HydrophobicContact CE1-CG1 4.18Å; F70-V83 HydrophobicContact CE1-CG2 3.74Å; F70-V83 HydrophobicContact CZ-CG2 3.94Å; Y74-V83 HydrophobicContact CD2-CG2 4.36Å; Y74-V83 HydrophobicContact CG-CG2 4.43Å; T78-V83 HydrophobicContact CG2-CG2 3.86Å; S79-V83 WeakPolarHBondContact O-CG2 3.35Å; S79-V83 PolarHBondContact O-N 3.4Å; A80-V83 PolarHBondContact O-N 3.35Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 2.88Å; V83-L87 HydrophobicContact CG1-CD1 4.3Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.08Å; V83-L87 PolarHBondContact O-N 2.62Å; V83-L87 VanDerWaalsContact O-N 3.13Å; V83-W351 HydrophobicContact CB-CH2 3.84Å; V83-W351 HydrophobicContact CB-CZ3 4.02Å; V83-W351 HydrophobicContact CG1-CE3 4.24Å; V83-W351 HydrophobicContact CG1-CH2 3.79Å; V83-W351 HydrophobicContact CG1-CZ3 3.51Å
84	L	97.3	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-46.1	177.1	179.5	55.8	0	0	0	111.8	A80 D81 K86 L87 I88 L348 L365 R368 V369 F372	A80-L84 WeakPolarHBondContact O-CB 3.47Å; A80-L84 PolarHBondContact O-N 2.96Å; D81-L84 PolarHBondContact O-N 3Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.15Å; L84-L87 CarbonylContact O-C 3.54Å; L84-L87 WeakPolarHBondContact O-CA 3.34Å; L84-L87 WeakPolarHBondContact O-CB 3.49Å; L84-L87 PolarHBondContact O-N 3.18Å; L84-I88 HydrophobicContact CD1-CD1 4Å; L84-I88 HydrophobicContact CD1-CG1 4.06Å; L84-I88 HydrophobicContact CD2-CD1 4.46Å; L84-I88 HydrophobicContact CG-CD1 3.8Å; L84-I88 HydrophobicContact CG-CG1 4.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.26Å; L84-I88 PolarHBondContact O-N 2.9Å; L84-L348 HydrophobicContact CD1-CD2 4.33Å; L84-L365 HydrophobicContact CD2-CD1 4.04Å; L84-R368 HydrophobicContact CD2-CB 3.7Å; L84-V369 HydrophobicContact CD1-CG2 3.87Å; L84-V369 HydrophobicContact CD2-CG2 3.76Å; L84-V369 HydrophobicContact CG-CG2 4.44Å; L84-F372 HydrophobicContact CD1-CD1 4.47Å
85	D	96.4	Very high	94.2	Very high	63 Å²	63	43.2 Å²	43.2	34%	0.337	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-35.1	-179.6	-70.1	-29.9	0	0	0	111.8	D81 T89 R368	D81-D85 VanDerWaalsContact O-CB 3.28Å; D81-D85 WeakPolarHBondContact O-CB 3.4Å; D81-D85 PolarHBondContact O-N 3.03Å; D85-T89 WeakPolarHBondContact O-CB 3.49Å; D85-T89 PolarHBondContact O-N 3.21Å; D85-T89 PolarHBondContact O-OG1 3.23Å; D85-R368 IonicContact OD1-CZ 2.9Å; D85-R368 IonicContact OD1-NH1 3.45Å; D85-R368 IonicContact OD1-NH2 3.57Å; D85-R368 PolarHBondContact OD1-NH2 3.33Å; D85-R368 IonicContact OD2-NH1 2.8Å; D85-R368 IonicContact OD2-NH2 3.17Å
86	K	94.9	Very high	93.8	Very high	45 Å²	45	44.3 Å²	44.3	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-39.3	170.7	-163.5	83.3	172.2	-170.6	0	111.2	E50 L53 I57 I82 L84 T89 I90	E50-K86 IonicContact OE1-NZ 3.15Å; E50-K86 PolarHBondContact OE1-NZ 2.79Å; L53-K86 HydrophobicContact CB-CG 4.32Å; L53-K86 HydrophobicContact CD2-CB 4.39Å; I57-K86 HydrophobicContact CD1-CD 4.45Å; I57-K86 HydrophobicContact CD1-CG 4.05Å; I57-K86 HydrophobicContact CG2-CG 4.41Å; I82-K86 WeakPolarHBondContact O-CB 3.37Å; I82-K86 PolarHBondContact O-N 3.5Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.15Å; K86-T89 PolarHBondContact O-N 2.95Å; K86-I90 WeakPolarHBondContact O-CB 3.47Å; K86-I90 VanDerWaalsContact O-CG1 3.24Å; K86-I90 WeakPolarHBondContact O-CG1 3.45Å; K86-I90 PolarHBondContact O-N 3.09Å
87	L	96.3	Very high	93.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-44.6	175.4	-69.7	168	0	0	0	112.3	I57 V83 L84 T89 I90 Y91 V344 V347 L348 W351	I57-L87 HydrophobicContact CG2-CD2 4.24Å; V83-L87 HydrophobicContact CG1-CD1 4.3Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.08Å; V83-L87 PolarHBondContact O-N 2.62Å; V83-L87 VanDerWaalsContact O-N 3.13Å; L84-L87 CarbonylContact O-C 3.54Å; L84-L87 WeakPolarHBondContact O-CA 3.34Å; L84-L87 WeakPolarHBondContact O-CB 3.49Å; L84-L87 PolarHBondContact O-N 3.18Å; L87-T89 VanDerWaalsContact C-N 3.34Å; L87-T89 PolarHBondContact O-N 3.29Å; L87-I90 PolarHBondContact O-N 2.57Å; L87-Y91 PolarHBondContact O-N 2.9Å; L87-V344 HydrophobicContact CB-CG1 4.19Å; L87-V344 HydrophobicContact CB-CG2 4.45Å; L87-V344 HydrophobicContact CD2-CG2 4.12Å; L87-V344 WeakPolarHBondContact O-CG2 3.44Å; L87-V347 HydrophobicContact CD1-CG1 3.9Å; L87-V347 HydrophobicContact CD2-CB 4.04Å; L87-V347 HydrophobicContact CD2-CG1 4Å; L87-V347 HydrophobicContact CD2-CG2 4.45Å; L87-L348 HydrophobicContact CD1-CD2 3.91Å; L87-L348 HydrophobicContact CD1-CG 4.26Å; L87-W351 HydrophobicContact CD1-CE3 4.4Å; L87-W351 HydrophobicContact CD1-CZ3 4.29Å
88	I	96.3	Very high	92.6	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.138	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-44	174.3	-66.3	172.7	0	0	0	110.3	L84 I90 Y91 K92 F372	L84-I88 HydrophobicContact CD1-CD1 4Å; L84-I88 HydrophobicContact CD1-CG1 4.06Å; L84-I88 HydrophobicContact CD2-CD1 4.46Å; L84-I88 HydrophobicContact CG-CD1 3.8Å; L84-I88 HydrophobicContact CG-CG1 4.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.26Å; L84-I88 PolarHBondContact O-N 2.9Å; I88-I90 VanDerWaalsContact C-N 3.32Å; I88-I90 PolarHBondContact O-N 2.87Å; I88-Y91 PolarHBondContact O-N 3.27Å; I88-K92 HydrophobicContact CG2-CD 3.85Å; I88-K92 HydrophobicContact CG2-CG 4.28Å; I88-K92 WeakPolarHBondContact O-CB 3.15Å; I88-K92 WeakPolarHBondContact O-CG 3.38Å; I88-K92 PolarHBondContact O-N 3.1Å; I88-F372 HydrophobicContact CB-CD2 4.46Å; I88-F372 HydrophobicContact CB-CE2 4.3Å; I88-F372 HydrophobicContact CD1-CB 4.26Å; I88-F372 HydrophobicContact CD1-CD2 4.27Å; I88-F372 HydrophobicContact CD1-CG 4.13Å; I88-F372 HydrophobicContact CG1-CB 4.39Å; I88-F372 HydrophobicContact CG1-CD1 3.97Å; I88-F372 HydrophobicContact CG1-CD2 3.69Å; I88-F372 HydrophobicContact CG1-CE1 4.16Å; I88-F372 HydrophobicContact CG1-CE2 3.9Å; I88-F372 HydrophobicContact CG1-CG 3.72Å; I88-F372 HydrophobicContact CG1-CZ 4.13Å; I88-F372 HydrophobicContact CG2-CD2 4.31Å; I88-F372 HydrophobicContact CG2-CE2 4.24Å
89	T	95	Very high	91.9	Very high	68 Å²	68	44.2 Å²	44.2	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-39.4	177.9	-62.3	0	0	0	0	111.8	D85 K86 L87 K93 A97	D85-T89 WeakPolarHBondContact O-CB 3.49Å; D85-T89 PolarHBondContact O-N 3.21Å; D85-T89 PolarHBondContact O-OG1 3.23Å; K86-T89 PolarHBondContact O-N 2.95Å; L87-T89 VanDerWaalsContact C-N 3.34Å; L87-T89 PolarHBondContact O-N 3.29Å; T89-K93 PolarHBondContact O-N 2.61Å; T89-A97 HydrophobicContact CG2-CB 3.9Å
90	I	92.1	Very high	91.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-37.8	175.6	-73.1	-77.3	0	0	0	112.1	I57 K86 L87 I88 P94 A97 I98 A340 V344	I57-I90 HydrophobicContact CB-CD1 4.25Å; I57-I90 HydrophobicContact CB-CG1 4.08Å; I57-I90 HydrophobicContact CD1-CD1 3.63Å; I57-I90 HydrophobicContact CD1-CG1 3.8Å; I57-I90 HydrophobicContact CG1-CD1 4.07Å; I57-I90 HydrophobicContact CG1-CG1 4.3Å; I57-I90 HydrophobicContact CG2-CG1 4.11Å; K86-I90 WeakPolarHBondContact O-CB 3.47Å; K86-I90 VanDerWaalsContact O-CG1 3.24Å; K86-I90 WeakPolarHBondContact O-CG1 3.45Å; K86-I90 PolarHBondContact O-N 3.09Å; L87-I90 PolarHBondContact O-N 2.57Å; I88-I90 VanDerWaalsContact C-N 3.32Å; I88-I90 PolarHBondContact O-N 2.87Å; I90-P94 WeakPolarHBondContact O-CA 3.46Å; I90-P94 VanDerWaalsContact O-CB 3.27Å; I90-P94 WeakPolarHBondContact O-CB 3.48Å; I90-P94 WeakPolarHBondContact O-CD 3.24Å; I90-A97 HydrophobicContact CD1-CB 3.59Å; I90-A97 HydrophobicContact CG1-CB 4.2Å; I90-I98 HydrophobicContact CD1-CD1 4.34Å; I90-I98 HydrophobicContact CD1-CG1 3.43Å; I90-I98 VanDerWaalsContact CD1-CG1 3.43Å; I90-A340 HydrophobicContact CG2-CB 3.98Å; I90-V344 HydrophobicContact CB-CG2 4.12Å; I90-V344 HydrophobicContact CG2-CG2 3.69Å
91	Y	93.4	Very high	90.3	Very high	32 Å²	32	51.5 Å²	51.5	13%	0.125	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-49.4	173.6	177.4	-102.5	0	0	0	112	L87 I88 T341 F372 V376 D379	L87-Y91 PolarHBondContact O-N 2.9Å; I88-Y91 PolarHBondContact O-N 3.27Å; Y91-T341 HydrophobicContact CD2-CG2 4.17Å; Y91-T341 HydrophobicContact CE2-CG2 3.88Å; Y91-F372 AromaticContact CD1-CE2 3.7Å; Y91-F372 HydrophobicContact CD1-CE2 3.7Å; Y91-F372 AromaticContact CD1-CZ 3.96Å; Y91-F372 HydrophobicContact CD1-CZ 3.96Å; Y91-F372 HydrophobicContact CE1-CE2 4.43Å; Y91-F372 HydrophobicContact CG-CE2 4.12Å; Y91-F372 AromaticContact CG-CZ 3.89Å; Y91-F372 HydrophobicContact CG-CZ 3.89Å; Y91-V376 HydrophobicContact CD1-CG2 4Å; Y91-V376 HydrophobicContact CD2-CG2 4.32Å; Y91-V376 HydrophobicContact CE1-CB 4.46Å; Y91-V376 HydrophobicContact CE1-CG2 3.71Å; Y91-V376 HydrophobicContact CE2-CG1 4.11Å; Y91-V376 HydrophobicContact CE2-CG2 4.05Å; Y91-V376 HydrophobicContact CG-CG2 4.3Å; Y91-D379 WeakPolarHBondContact OH-CB 3.44Å; Y91-D379 PolarHBondContact OH-OD2 2.82Å
92	K	92.6	Very high	89.5	Confident	107 Å²	107	49.9 Å²	49.9	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-76.3	-27.8	-173.5	-66.5	-173.3	178.1	-179.1	0	113.8	I88 E375	I88-K92 HydrophobicContact CG2-CD 3.85Å; I88-K92 HydrophobicContact CG2-CG 4.28Å; I88-K92 WeakPolarHBondContact O-CB 3.15Å; I88-K92 WeakPolarHBondContact O-CG 3.38Å; I88-K92 PolarHBondContact O-N 3.1Å; K92-E375 WeakPolarHBondContact CE-OE2 3.11Å; K92-E375 VanDerWaalsContact NZ-CD 3.28Å; K92-E375 IonicContact NZ-OE1 2.69Å; K92-E375 PolarHBondContact NZ-OE1 3.5Å; K92-E375 VanDerWaalsContact NZ-OE1 3.08Å; K92-E375 IonicContact NZ-OE2 3.9Å; K92-E375 PolarHBondContact NZ-OE2 2.8Å
93	K	91.4	Very high	88.7	Confident	139 Å²	139	46.9 Å²	46.9	60%	0.604	25%	0.25	S	C	*	.			trans	-143.3	56.4	-176	-61.9	-174.1	-179.9	177	0	113.8	T89 I95 S96 A97	T89-K93 PolarHBondContact O-N 2.61Å; K93-I95 VanDerWaalsContact C-N 3.34Å; K93-I95 PolarHBondContact O-N 2.88Å; K93-S96 PolarHBondContact O-N 3.29Å; K93-S96 PolarHBondContact O-OG 2.87Å; K93-A97 WeakPolarHBondContact O-CB 3.39Å; K93-A97 PolarHBondContact O-N 3.41Å
94	P	87.1	Confident	87.8	Confident	12 Å²	12	51.9 Å²	51.9	8%	0.078	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-33.3	-168.3	22.9	-33.9	0	0	0	114.9	I90 I98 I336 R337 A340	I90-P94 WeakPolarHBondContact O-CA 3.46Å; I90-P94 VanDerWaalsContact O-CB 3.27Å; I90-P94 WeakPolarHBondContact O-CB 3.48Å; I90-P94 WeakPolarHBondContact O-CD 3.24Å; P94-I98 HydrophobicContact CB-CD1 4.31Å; P94-I98 WeakPolarHBondContact O-CB 3.46Å; P94-I98 VanDerWaalsContact O-CG1 3.28Å; P94-I98 WeakPolarHBondContact O-CG1 3.49Å; P94-I98 PolarHBondContact O-N 3.34Å; P94-I98 VanDerWaalsContact O-N 3.16Å; P94-I336 HydrophobicContact CB-CG2 4.04Å; P94-R337 HydrophobicContact CG-CB 4.44Å; P94-R337 HydrophobicContact CG-CG 4.43Å; P94-A340 HydrophobicContact CB-CB 3.67Å
95	I	84.9	Confident	86.8	Confident	80 Å²	80	52.4 Å²	52.4	41%	0.41	28%	0.276	S	S	.	.	H	α-helix	trans	-67.7	-39.4	-178.6	-66.9	173.1	0	0	0	112	K93 E333 I336	K93-I95 VanDerWaalsContact C-N 3.34Å; K93-I95 PolarHBondContact O-N 2.88Å; I95-E333 HydrophobicContact CD1-CB 3.86Å; I95-E333 HydrophobicContact CD1-CG 3.65Å; I95-I336 HydrophobicContact CG1-CD1 4.12Å; I95-I336 HydrophobicContact CG1-CG2 4.48Å
96	S	85.5	Confident	85.9	Confident	97 Å²	97	50.1 Å²	50.1	68%	0.678	26%	0.263	S	S	*	.	H	α-helix	trans	-88.6	-19.3	179.2	56.4	0	0	0	0	113.4	K93	K93-S96 PolarHBondContact O-N 3.29Å; K93-S96 PolarHBondContact O-OG 2.87Å
97	A	81.4	Confident	84.9	Confident	20 Å²	20	50.2 Å²	50.2	17%	0.165	26%	0.263	C	S	.	.	H	α-helix	trans	-92.9	-19.5	-175.8	0	0	0	0	0	113.9	T89 I90 K93	T89-A97 HydrophobicContact CG2-CB 3.9Å; I90-A97 HydrophobicContact CD1-CB 3.59Å; I90-A97 HydrophobicContact CG1-CB 4.2Å; K93-A97 WeakPolarHBondContact O-CB 3.39Å; K93-A97 PolarHBondContact O-N 3.41Å
98	I	83	Confident	83.3	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.041	28%	0.283	C	S	.	.	S	Bend	trans	-98.4	132.8	175	-59.3	170.3	0	0	0	108.6	L59 I90 P94 A100 L103 I336 A340	L59-I98 HydrophobicContact CD1-CD1 3.81Å; L59-I98 HydrophobicContact CD2-CD1 4.02Å; L59-I98 HydrophobicContact CG-CD1 3.98Å; I90-I98 HydrophobicContact CD1-CD1 4.34Å; I90-I98 HydrophobicContact CD1-CG1 3.43Å; I90-I98 VanDerWaalsContact CD1-CG1 3.43Å; P94-I98 HydrophobicContact CB-CD1 4.31Å; P94-I98 WeakPolarHBondContact O-CB 3.46Å; P94-I98 VanDerWaalsContact O-CG1 3.28Å; P94-I98 WeakPolarHBondContact O-CG1 3.49Å; P94-I98 PolarHBondContact O-N 3.34Å; P94-I98 VanDerWaalsContact O-N 3.16Å; I98-A100 PolarHBondContact O-N 2.89Å; I98-L103 HydrophobicContact CB-CD1 4.32Å; I98-L103 HydrophobicContact CB-CD2 3.95Å; I98-L103 HydrophobicContact CB-CG 4.13Å; I98-L103 HydrophobicContact CD1-CD2 4.1Å; I98-L103 HydrophobicContact CG2-CD2 3.65Å; I98-L103 HydrophobicContact CG2-CG 3.82Å; I98-I336 HydrophobicContact CD1-CG2 4.33Å; I98-A340 HydrophobicContact CD1-CB 4.23Å
99	P	82.5	Confident	81.3	Confident	41 Å²	41	52.8 Å²	52.8	27%	0.266	29%	0.286	S	S	.	.			trans	-52.9	129.1	177	-29.8	37.1	0	0	0	112.6	E54 R101 S102 L103	E54-P99 HydrophobicContact CG-CG 4.31Å; E54-P99 WeakPolarHBondContact OE1-CG 3.16Å; P99-R101 PolarHBondContact O-N 3.13Å; P99-R101 VanDerWaalsContact O-N 3.09Å; P99-S102 WeakPolarHBondContact O-CB 3.17Å; P99-S102 PolarHBondContact O-N 3.17Å; P99-L103 PolarHBondContact O-N 3.16Å
100	A	80.1	Confident	78.9	Confident	69 Å²	69	52.7 Å²	52.7	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-53.2	-37.6	-175	0	0	0	0	0	112.7	I98 S102 L103 E104	I98-A100 PolarHBondContact O-N 2.89Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 2.87Å; A100-L103 WeakPolarHBondContact O-CB 3.38Å; A100-L103 PolarHBondContact O-N 3.17Å; A100-L103 VanDerWaalsContact O-N 3.16Å; A100-E104 WeakPolarHBondContact O-CG 3.43Å; A100-E104 PolarHBondContact O-N 2.89Å
101	R	77	Confident	76.4	Confident	139 Å²	139	60.5 Å²	60.5	53%	0.525	33%	0.325	S	S	.	.	H	α-helix	trans	-63.5	-35.7	177.1	-172.3	53.5	171.3	-178.3	-0.9	113.4	P99 E104 L105	P99-R101 PolarHBondContact O-N 3.13Å; P99-R101 VanDerWaalsContact O-N 3.09Å; R101-E104 WeakPolarHBondContact CD-OE2 3.3Å; R101-E104 IonicContact CZ-OE2 3.64Å; R101-E104 IonicContact NE-OE2 3.79Å; R101-E104 IonicContact NH1-OE2 2.71Å; R101-E104 PolarHBondContact NH1-OE2 3.09Å; R101-L105 HydrophobicContact CG-CD1 4Å; R101-L105 WeakPolarHBondContact O-CB 3.25Å; R101-L105 VanDerWaalsContact O-CG 3.24Å; R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 3.36Å; R101-L105 VanDerWaalsContact O-N 3.09Å
102	S	78	Confident	73.5	Confident	17 Å²	17	65.3 Å²	65.3	12%	0.119	35%	0.353	C	S	.	.	H	α-helix	trans	-68.5	-36.9	174.5	-59.9	0	0	0	0	111.3	R60 P99 A100 F106	R60-S102 PolarHBondContact NH2-OG 2.68Å; P99-S102 WeakPolarHBondContact O-CB 3.17Å; P99-S102 PolarHBondContact O-N 3.17Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 2.87Å; S102-F106 WeakPolarHBondContact O-CB 3.4Å; S102-F106 PolarHBondContact O-N 3.3Å
103	L	80.4	Confident	70.5	Confident	20 Å²	20	65.9 Å²	65.9	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-67.2	-45.6	174	-61.2	177.3	0	0	0	111.9	L59 I98 P99 A100 L105 F106 F107 I336	L59-L103 HydrophobicContact CD1-CD2 4.47Å; I98-L103 HydrophobicContact CB-CD1 4.32Å; I98-L103 HydrophobicContact CB-CD2 3.95Å; I98-L103 HydrophobicContact CB-CG 4.13Å; I98-L103 HydrophobicContact CD1-CD2 4.1Å; I98-L103 HydrophobicContact CG2-CD2 3.65Å; I98-L103 HydrophobicContact CG2-CG 3.82Å; P99-L103 PolarHBondContact O-N 3.16Å; A100-L103 WeakPolarHBondContact O-CB 3.38Å; A100-L103 PolarHBondContact O-N 3.17Å; A100-L103 VanDerWaalsContact O-N 3.16Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-L105 PolarHBondContact O-N 2.96Å; L103-F106 WeakPolarHBondContact O-CB 3.19Å; L103-F106 PolarHBondContact O-N 2.74Å; L103-F107 VanDerWaalsContact O-CD2 3.3Å; L103-F107 WeakPolarHBondContact O-CD2 3.47Å; L103-F107 PolarHBondContact O-N 2.84Å; L103-I336 HydrophobicContact CD1-CD1 4.33Å; L103-I336 HydrophobicContact CD2-CD1 4.16Å; L103-I336 HydrophobicContact CD2-CG1 4.11Å; L103-I336 HydrophobicContact CD2-CG2 3.79Å
104	E	77.6	Confident	67.9	Low	105 Å²	105	68 Å²	68	49%	0.491	38%	0.38	S	S	.	.	H	α-helix	trans	-53.1	-51.3	173.5	-74.3	177.1	171.8	0	0	111.5	A100 R101 F107 A108	A100-E104 WeakPolarHBondContact O-CG 3.43Å; A100-E104 PolarHBondContact O-N 2.89Å; R101-E104 WeakPolarHBondContact CD-OE2 3.3Å; R101-E104 IonicContact CZ-OE2 3.64Å; R101-E104 IonicContact NE-OE2 3.79Å; R101-E104 IonicContact NH1-OE2 2.71Å; R101-E104 PolarHBondContact NH1-OE2 3.09Å; E104-F107 CarbonylContact O-C 3.58Å; E104-F107 PolarHBondContact O-N 2.91Å; E104-A108 WeakPolarHBondContact O-CB 3.49Å; E104-A108 PolarHBondContact O-N 2.97Å
105	L	77	Confident	65.4	Low	10 Å²	10	75.1 Å²	75.1	5%	0.052	42%	0.416	C	S	.	.	H	α-helix	trans	-72.2	-30.7	-174.1	-66.8	171.3	0	0	0	112.5	M16 D20 R101 L103 F107 A108	M16-L105 WeakPolarHBondContact CB-O 3.48Å; D20-L105 HydrophobicContact CB-CD1 3.66Å; R101-L105 HydrophobicContact CG-CD1 4Å; R101-L105 WeakPolarHBondContact O-CB 3.25Å; R101-L105 VanDerWaalsContact O-CG 3.24Å; R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 3.36Å; R101-L105 VanDerWaalsContact O-N 3.09Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-L105 PolarHBondContact O-N 2.96Å; L105-F107 VanDerWaalsContact C-N 3.35Å; L105-A108 PolarHBondContact O-N 3.35Å
106	F	77.4	Confident	63.1	Low	15 Å²	15	79 Å²	79	7%	0.066	44%	0.437	C	S	.	.	H	α-helix	trans	-57.2	-46.6	169.4	-173.9	-109	0	0	0	111.2	M16 L59 R60 S102 L103 S109 A293 V335 A339	M16-F106 HydrophobicContact CE-CD2 4.03Å; M16-F106 VanDerWaalsContact CE-O 3.29Å; M16-F106 WeakPolarHBondContact CE-O 3.44Å; M16-F106 HydrophobicContact SD-CD2 3.94Å; L59-F106 HydrophobicContact CB-CD2 4.42Å; L59-F106 HydrophobicContact CB-CE2 4.27Å; R60-F106 HydrophobicContact CG-CD2 4.32Å; S102-F106 WeakPolarHBondContact O-CB 3.4Å; S102-F106 PolarHBondContact O-N 3.3Å; L103-F106 WeakPolarHBondContact O-CB 3.19Å; L103-F106 PolarHBondContact O-N 2.74Å; F106-S109 PolarHBondContact O-OG 2.84Å; F106-A293 HydrophobicContact CE1-CB 4.33Å; F106-A293 HydrophobicContact CZ-CB 4.26Å; F106-V335 HydrophobicContact CE1-CG1 4.09Å; F106-A339 HydrophobicContact CE1-CB 4.29Å; F106-A339 HydrophobicContact CZ-CB 3.85Å
107	F	73.1	Confident	60.6	Low	48 Å²	48	85.6 Å²	85.6	21%	0.211	45%	0.449	C	S	.	.	H	α-helix	trans	-81.4	-21	176.6	-70.4	-70.5	0	0	0	115.2	L103 E104 L105 S109 S110 K332 V335 I336	L103-F107 VanDerWaalsContact O-CD2 3.3Å; L103-F107 WeakPolarHBondContact O-CD2 3.47Å; L103-F107 PolarHBondContact O-N 2.84Å; E104-F107 CarbonylContact O-C 3.58Å; E104-F107 PolarHBondContact O-N 2.91Å; L105-F107 VanDerWaalsContact C-N 3.35Å; F107-S109 PolarHBondContact O-N 3.1Å; F107-S109 VanDerWaalsContact O-N 3.08Å; F107-S110 VanDerWaalsContact O-CB 3.23Å; F107-S110 WeakPolarHBondContact O-CB 3.28Å; F107-S110 PolarHBondContact O-N 3.49Å; F107-K332 HydrophobicContact CE1-CB 4.36Å; F107-K332 HydrophobicContact CE1-CG 4.23Å; F107-K332 HydrophobicContact CE2-CB 4.27Å; F107-K332 HydrophobicContact CZ-CB 3.95Å; F107-K332 HydrophobicContact CZ-CG 4.27Å; F107-V335 HydrophobicContact CE1-CB 4.23Å; F107-V335 HydrophobicContact CE1-CG1 3.89Å; F107-V335 HydrophobicContact CZ-CB 4.14Å; F107-V335 HydrophobicContact CZ-CG1 3.98Å; F107-I336 HydrophobicContact CE2-CD1 3.87Å; F107-I336 HydrophobicContact CE2-CG1 3.53Å; F107-I336 HydrophobicContact CZ-CD1 4.44Å; F107-I336 HydrophobicContact CZ-CG1 3.8Å
108	A	63.4	Low	58.2	Low	49 Å²	49	87.9 Å²	87.9	41%	0.405	47%	0.474	S	S	.	.	H	α-helix	trans	-56.6	-27.9	178.1	0	0	0	0	0	112.5	E104 L105 S110 Q111	E104-A108 WeakPolarHBondContact O-CB 3.49Å; E104-A108 PolarHBondContact O-N 2.97Å; L105-A108 PolarHBondContact O-N 3.35Å; A108-S110 PolarHBondContact O-N 3.27Å; A108-Q111 PolarHBondContact O-N 2.6Å
109	S	53.3	Low	55.6	Low	31 Å²	31	96.4 Å²	96.4	22%	0.217	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-8.2	171.9	69.3	0	0	0	0	115.6	M16 F106 F107 S291	M16-S109 WeakPolarHBondContact CE-OG 3.46Å; F106-S109 PolarHBondContact O-OG 2.84Å; F107-S109 PolarHBondContact O-N 3.1Å; F107-S109 VanDerWaalsContact O-N 3.08Å; S109-S291 PolarHBondContact OG-OG 3.28Å
110	S	44.5	Very low	53.2	Low	66 Å²	66	99.8 Å²	99.8	46%	0.462	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-12.1	177.5	-166.6	0	0	0	0	114.6	F107 A108 S291	F107-S110 VanDerWaalsContact O-CB 3.23Å; F107-S110 WeakPolarHBondContact O-CB 3.28Å; F107-S110 PolarHBondContact O-N 3.49Å; A108-S110 PolarHBondContact O-N 3.27Å; S110-S291 WeakPolarHBondContact CB-OG 3.28Å
111	Q	39.7	Very low	50.9	Low	166 Å²	166	102.7 Å²	102.7	78%	0.776	55%	0.548	S	S	*	.	S	Bend	trans	-93.6	114	-178.1	-69.2	-99.1	4.3	0	0	109.2	A108 S113	A108-Q111 PolarHBondContact O-N 2.6Å; Q111-S113 PolarHBondContact O-N 2.89Å
112	N	32.8	Very low	48.7	Very low	132 Å²	132	102.4 Å²	102.4	71%	0.706	56%	0.563	S	S	*	*			trans	-59.5	133.2	169.4	-112.3	-48.7	0	0	0	109.2	K114	N112-K114 PolarHBondContact O-N 2.9Å
113	S	30.9	Very low	46.5	Very low	119 Å²	119	106.7 Å²	106.7	83%	0.832	59%	0.593	S	S	*	*	S	Bend	trans	-74.8	65.1	177.6	61	0	0	0	0	111.5	Q111	Q111-S113 PolarHBondContact O-N 2.89Å
114	K	35.3	Very low	44.3	Very low	184 Å²	184	111.8 Å²	111.8	80%	0.8	63%	0.627	S	S	*	*			trans	-138.4	60.9	178.6	-79.4	-166	172.3	-173.7	0	110.9	N112	N112-K114 PolarHBondContact O-N 2.9Å
115	L	36	Very low	41.9	Very low	162 Å²	162	118.8 Å²	118.8	85%	0.848	65%	0.649	S	S	*	*	S	Bend	trans	-172.5	153	154.6	-99.8	157.2	0	0	0	106.9
116	L	35.7	Very low	39.6	Very low	161 Å²	161	123.1 Å²	123.1	84%	0.843	69%	0.686	S	S	*	*	S	Bend	trans	59.4	60.5	-172.3	-62	109.2	0	0	0	116.2
117	Y	33.8	Very low	37.2	Very low	236 Å²	236	127.1 Å²	127.1	93%	0.925	72%	0.716	S	S	*	*				-141.2	149.6	123.3	-104.7	-79.4	0	0	0	108.3
118	G	31.4	Very low	35.1	Very low	67 Å²	67	135.9 Å²	135.9	69%	0.691	75%	0.748	S	S	*	*			trans	-71.4	179	-177.9	0	0	0	0	0	113.7
119	E	27.6	Very low	33.5	Very low	187 Å²	187	143.2 Å²	143.2	87%	0.874	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-56	141.7	179.5	-64.1	-169.5	122.5	0	0	112.5
120	P	32	Very low	32.2	Very low	112 Å²	112	151.5 Å²	151.5	73%	0.727	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.5	133.2	171.9	29.8	-33.2	0	0	0	109.8	T122	P120-T122 PolarHBondContact O-N 3.31Å
121	P	31.8	Very low	31.5	Very low	130 Å²	130	154.1 Å²	154.1	84%	0.844	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-62.5	131.9	176.9	25.9	-33.7	0	0	0	110.4	S123	P121-S123 PolarHBondContact O-N 2.84Å
122	T	31.7	Very low	31	Very low	134 Å²	134	151.6 Å²	151.6	82%	0.822	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-66.3	123.1	-177.2	46.7	0	0	0	0	111.2	P120 P124	P120-T122 PolarHBondContact O-N 3.31Å; T122-P124 WeakPolarHBondContact O-CD 3.41Å
123	S	31	Very low	31.2	Very low	107 Å²	107	150.9 Å²	150.9	75%	0.748	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.5	126.8	174.4	54.5	0	0	0	0	110.6	P121 R125	P121-S123 PolarHBondContact O-N 2.84Å; S123-R125 PolarHBondContact O-N 2.89Å
124	P	33.2	Very low	31.7	Very low	127 Å²	127	150.9 Å²	150.9	83%	0.825	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-65.8	119.8	179.6	-23.6	34.8	0	0	0	112.1	T122 A126	T122-P124 WeakPolarHBondContact O-CD 3.41Å; P124-A126 PolarHBondContact O-N 3.42Å
125	R	28.4	Very low	31.9	Very low	251 Å²	251	147.7 Å²	147.7	95%	0.947	82%	0.82	S	S	*	*			trans	-72.2	101.3	166.3	-98	-178.2	167.3	172.1	-3.1	110	S123	S123-R125 PolarHBondContact O-N 2.89Å
126	A	29.1	Very low	31.7	Very low	101 Å²	101	148.3 Å²	148.3	84%	0.835	82%	0.823	S	S	*	*			trans	-92.1	141.7	156	0	0	0	0	0	109.4	P124	P124-A126 PolarHBondContact O-N 3.42Å
127	S	27.3	Very low	31.4	Very low	99 Å²	99	146.5 Å²	146.5	69%	0.692	82%	0.824	S	S	*	*			trans	-149.1	151.7	-178.3	70.3	0	0	0	0	113.3
128	R	29.3	Very low	31.2	Very low	233 Å²	233	142.6 Å²	142.6	88%	0.879	82%	0.817	S	S	*	*			trans	73.4	150.9	-176.9	-44.4	174.9	176.6	179.1	-3.2	113
129	K	28.1	Very low	31.1	Very low	203 Å²	203	146.4 Å²	146.4	88%	0.883	83%	0.827	S	S	*	*			cis	-129.9	172.2	11.2	-75.3	-178.9	176.2	179.9	0	113.1
130	F	27.8	Very low	31.2	Very low	204 Å²	204	146.2 Å²	146.2	90%	0.895	82%	0.824	S	S	*	*			trans	-73.9	151.7	174.6	-83.9	-114.6	0	0	0	114.4
131	S	28.4	Very low	31	Very low	121 Å²	121	148.6 Å²	148.6	85%	0.846	83%	0.83	S	S	*	*			trans	-160.7	166.9	138.8	55	0	0	0	0	111.2
132	S	29	Very low	30.9	Very low	113 Å²	113	147.6 Å²	147.6	79%	0.79	83%	0.826	S	S	*	*			trans	-106.2	166.7	-159.1	-53.8	0	0	0	0	115.1
133	P	37.4	Very low	30.9	Very low	118 Å²	118	146.4 Å²	146.4	77%	0.766	82%	0.824	S	S	*	*			trans	-94.1	-171.8	179.1	41.3	-37.9	0	0	0	112.6
134	P	41.8	Very low	31.3	Very low	119 Å²	119	147.4 Å²	147.4	77%	0.773	83%	0.828	S	S	*	*			cis	-113	-119.4	-2.8	36.6	-15.7	0	0	0	111.4
135	P	40.4	Very low	31.1	Very low	117 Å²	117	148.5 Å²	148.5	76%	0.76	83%	0.826	S	S	*	*			cis	-111.9	-131.7	4.3	43.3	-28.8	0	0	0	113.8
136	L	30.6	Very low	31.2	Very low	174 Å²	174	147.8 Å²	147.8	91%	0.911	82%	0.824	S	S	*	*			trans	-145	151.3	-174.7	-72.8	163.3	0	0	0	111.4
137	S	28.7	Very low	31.4	Very low	124 Å²	124	153.1 Å²	153.1	87%	0.867	82%	0.822	S	S	*	*			trans	-155.9	160.2	151.3	68.9	0	0	0	0	112.2
138	I	31.4	Very low	31.8	Very low	153 Å²	153	159.7 Å²	159.7	79%	0.785	83%	0.832	S	S	*	*			trans	-112.7	142.8	-167.6	-67.7	162.7	0	0	0	110.5
139	T	28.6	Very low	31.9	Very low	147 Å²	147	157 Å²	157	90%	0.902	83%	0.827	S	S	*	*			trans	-162.5	166.5	137	8.9	0	0	0	0	112
140	K	29.2	Very low	31.9	Very low	184 Å²	184	156.2 Å²	156.2	80%	0.8	83%	0.831	S	S	*	*			trans	-93.8	158.7	-167.7	-55.9	164.9	-178	172.7	0	111.5
141	N	29.1	Very low	32	Very low	161 Å²	161	151 Å²	151	86%	0.861	82%	0.819	S	S	*	*				-170.3	161.3	117	-94.4	-10.8	0	0	0	114.9
142	S	28.9	Very low	32.2	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	82%	0.824	S	S	*	*			trans	-29.3	142.4	-179.7	51.5	0	0	0	0	120.7
143	S	32.6	Very low	32.2	Very low	109 Å²	109	155.2 Å²	155.2	76%	0.762	82%	0.823	S	S	*	*			trans	-72.1	173.3	159	-43.3	0	0	0	0	112.5
144	P	38.2	Very low	32.3	Very low	128 Å²	128	156.6 Å²	156.6	83%	0.831	82%	0.822	S	S	*	*				-141	167.5	94.2	38.3	-25.2	0	0	0	116.1
145	N	29.5	Very low	31.8	Very low	150 Å²	150	156.5 Å²	156.5	80%	0.802	82%	0.822	S	S	*	*			trans	-63.9	148.9	-176.8	-69.6	-78.2	0	0	0	115.4
146	R	30.4	Very low	31.2	Very low	236 Å²	236	157.7 Å²	157.7	89%	0.891	82%	0.82	S	S	*	*			trans	-136.6	112.5	138.9	-79.5	-162.9	172.8	-171.8	-1.9	112.7
147	R	32.1	Very low	31.2	Very low	213 Å²	213	157.5 Å²	157.5	80%	0.804	82%	0.818	S	S	*	*			trans	-63.9	153.1	155.7	-66.6	173	170.7	171.7	-2.1	109.3
148	R	35.7	Very low	31.1	Very low	237 Å²	237	157.6 Å²	157.6	89%	0.894	81%	0.814	S	S	*	*				-138	132.2	125.1	-73.8	-160.4	168.1	153.9	-2.2	110
149	K	31.3	Very low	30.8	Very low	177 Å²	177	154.1 Å²	154.1	77%	0.77	82%	0.815	S	S	*	*			trans	-79.3	158.4	165.9	-71.2	-177.4	174.1	-176.1	0	108.6
150	L	28.9	Very low	30.6	Very low	186 Å²	186	150.7 Å²	150.7	97%	0.974	81%	0.809	S	S	*	*			trans	-72.8	128.7	161.6	-68.4	167.5	0	0	0	109.1
151	S	30.7	Very low	30.4	Very low	93 Å²	93	151.8 Å²	151.8	65%	0.65	81%	0.814	S	S	*	*			trans	-131.2	134.1	168.4	55.6	0	0	0	0	108.7	N153	S151-N153 PolarHBondContact O-N 3.37Å
152	L	32.4	Very low	30.2	Very low	179 Å²	179	149 Å²	149	94%	0.937	81%	0.813	S	S	*	*			trans	-79.3	108.2	176.5	-76.2	164.9	0	0	0	109.3
153	N	28.7	Very low	30	Very low	144 Å²	144	151.7 Å²	151.7	77%	0.77	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-85.6	119.7	172.1	-71.3	5.7	0	0	0	109.8	S151	S151-N153 PolarHBondContact O-N 3.37Å
154	I	39.1	Very low	29.6	Very low	147 Å²	147	153.3 Å²	153.3	75%	0.754	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-96.8	135.5	157.9	-61.5	175.1	0	0	0	106.1	I156	I154-I156 PolarHBondContact O-N 2.86Å
155	P	31	Very low	28.9	Very low	117 Å²	117	154.6 Å²	154.6	76%	0.76	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.5	119.2	179	27.5	-33.6	0	0	0	110.7
156	I	28.8	Very low	28.7	Very low	143 Å²	143	151.8 Å²	151.8	73%	0.733	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-89.3	126.5	168.4	-64.4	171.8	0	0	0	107.6	I154 T158	I154-I156 PolarHBondContact O-N 2.86Å; I156-T158 HydrophobicContact CG2-CG2 3.55Å
157	I	29.7	Very low	28.5	Very low	170 Å²	170	144.8 Å²	144.8	87%	0.872	81%	0.808	S	S	*	*			trans	-103.3	94.3	168.5	-61.8	177.3	0	0	0	107.6
158	T	26.4	Very low	28.1	Very low	126 Å²	126	142.4 Å²	142.4	77%	0.773	81%	0.81	S	S	*	*			trans	-93.5	93.5	174.9	36.5	0	0	0	0	110.9	I156	I156-T158 HydrophobicContact CG2-CG2 3.55Å
159	G	24.7	Very low	27.4	Very low	79 Å²	79	136.2 Å²	136.2	81%	0.814	80%	0.803	S	S	*	*			trans	-98.3	81.6	160.7	0	0	0	0	0	109.6
160	G	24.3	Very low	27.1	Very low	75 Å²	75	133.1 Å²	133.1	77%	0.773	80%	0.803	S	S	*	*			trans	-83.7	126.6	-169.6	0	0	0	0	0	114.5
161	K	24.9	Very low	26.8	Very low	208 Å²	208	129.9 Å²	129.9	90%	0.904	80%	0.795	S	S	*	*			trans	-113	117.4	132.9	-76.7	-169.6	174.2	-173.8	0	106.6
162	A	25.1	Very low	27.1	Very low	102 Å²	102	130.6 Å²	130.6	84%	0.843	80%	0.798	S	S	*	*			trans	-68.1	140	177.2	0	0	0	0	0	109.5
163	L	24.8	Very low	26.7	Very low	167 Å²	167	130 Å²	130	87%	0.874	80%	0.796	S	S	*	*			trans	-104.5	124.2	155.5	-145	78.4	0	0	0	107
164	D	24.1	Very low	26.5	Very low	142 Å²	142	126.1 Å²	126.1	76%	0.759	79%	0.789	S	S	*	*			trans	-73.3	-169.4	165.3	-164.5	3.2	0	0	0	109.7
165	L	24.9	Very low	25.9	Very low	155 Å²	155	130.9 Å²	130.9	81%	0.812	80%	0.799	S	S	*	*			trans	91	71.8	-166.5	-69.1	94	0	0	0	114.3
166	A	25.1	Very low	25.6	Very low	91 Å²	91	129.6 Å²	129.6	75%	0.752	80%	0.799	S	S	*	*			trans	-91.3	142.5	138.5	0	0	0	0	0	110.2
167	A	26.8	Very low	25.3	Very low	89 Å²	89	127.5 Å²	127.5	74%	0.736	80%	0.797	S	S	*	*			trans	67.2	176.5	174.5	0	0	0	0	0	117.3
168	L	21.9	Very low	25	Very low	164 Å²	164	126.6 Å²	126.6	86%	0.859	79%	0.791	S	S	*	*			trans	68.3	130.7	-162.9	-51.6	176.5	0	0	0	113.1
169	S	23	Very low	25	Very low	107 Å²	107	129.2 Å²	129.2	75%	0.748	79%	0.794	S	S	*	*			cis	-166.6	170.8	-4.9	54.9	0	0	0	0	109
170	C	24.8	Very low	24.9	Very low	112 Å²	112	131 Å²	131	76%	0.757	79%	0.789	S	S	*	*			cis	-161.8	175.5	-32.2	-99.5	0	0	0	0	108.1
171	S	22.7	Very low	24.8	Very low	117 Å²	117	134.1 Å²	134.1	82%	0.818	79%	0.793	S	S	*	*	S	Bend	trans	-68	163.1	158.9	-108.4	0	0	0	0	111.4
172	P	35.4	Very low	24.7	Very low	108 Å²	108	132.3 Å²	132.3	70%	0.701	79%	0.79	S	S	*	*			trans	-85.9	146	-150.2	32.4	-37.5	0	0	0	115.8
173	N	24.6	Very low	24.6	Very low	168 Å²	168	132.7 Å²	132.7	90%	0.898	79%	0.787	S	S	*	*				-176.2	141.8	129.3	-98.8	-15.1	0	0	0	113.2
174	G	24.9	Very low	24.7	Very low	61 Å²	61	129.8 Å²	129.8	63%	0.629	78%	0.778	S	S	*	*			trans	77.9	115.4	136.4	0	0	0	0	0	121.7
175	Y	26.5	Very low	24.7	Very low	247 Å²	247	132.3 Å²	132.3	97%	0.969	78%	0.782	S	S	*	*			trans	76.9	157.8	147.9	-68.6	-83.8	0	0	0	121.3
176	A	23.5	Very low	25	Very low	91 Å²	91	130.9 Å²	130.9	75%	0.752	79%	0.785	S	S	*	*			trans	-93.4	-176.2	-172.9	0	0	0	0	0	111.1
177	S	23.5	Very low	25	Very low	99 Å²	99	135.5 Å²	135.5	69%	0.692	79%	0.788	S	S	*	*			cis	-166.1	170	27.9	-153	0	0	0	0	113.3
178	M	24.3	Very low	25	Very low	150 Å²	150	138.4 Å²	138.4	74%	0.739	80%	0.797	S	S	*	*			trans	-1.6	135.5	165.2	-45.4	-60.5	167.6	0	0	118.1
179	H	25.4	Very low	25.2	Very low	182 Å²	182	136.3 Å²	136.3	84%	0.843	79%	0.791	S	S	*	*				-158.5	170.5	53.5	-89.9	-83.5	0	0	0	113.4
180	T	22.1	Very low	25.3	Very low	115 Å²	115	138.3 Å²	138.3	71%	0.706	79%	0.793	S	S	*	*			trans	-125.7	143.8	179.8	-57.1	0	0	0	0	111.6	M182	T180-M182 HydrophobicContact CG2-CE 4.09Å
181	T	22	Very low	25.4	Very low	141 Å²	141	136.4 Å²	136.4	87%	0.865	78%	0.775	S	S	*	*			trans	-124	141.4	161.2	40.1	0	0	0	0	110.1
182	M	24.3	Very low	25.9	Very low	170 Å²	170	136.9 Å²	136.9	84%	0.837	77%	0.767	S	S	*	*			trans	-99.9	150.7	-169.2	-62.8	-100.3	75.2	0	0	112.1	T180	T180-M182 HydrophobicContact CG2-CE 4.09Å
183	S	23.1	Very low	25.6	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	77%	0.767	S	S	*	*			trans	-149.6	144.8	164.6	-166.2	0	0	0	0	108.9
184	P	26.8	Very low	26	Very low	105 Å²	105	137.5 Å²	137.5	68%	0.682	76%	0.757	S	S	*	*			trans	-93.8	-164.5	-157.1	38.3	-38.5	0	0	0	114.9
185	F	22.8	Very low	26.2	Very low	196 Å²	196	139 Å²	139	86%	0.86	75%	0.75	S	S	*	*			trans	89	103.5	-175.4	-63.7	-78.2	0	0	0	115.9
186	S	31.6	Very low	26.4	Very low	125 Å²	125	129.7 Å²	129.7	87%	0.874	71%	0.713	S	S	*	*			trans	-61.5	130.2	-175.6	-45.9	0	0	0	0	113.1
187	K	25.8	Very low	26.7	Very low	188 Å²	188	129.4 Å²	129.4	82%	0.817	70%	0.702	S	S	*	*			trans	-115.5	100.8	168.9	-71.9	-177.4	178.3	177.2	0	110.7	T189	K187-T189 PolarHBondContact O-N 2.86Å; K187-T189 PolarHBondContact O-OG1 3Å
188	T	25.9	Very low	26.6	Very low	150 Å²	150	129.1 Å²	129.1	92%	0.92	70%	0.7	S	S	*	*			trans	-72.6	79.5	164.5	21	0	0	0	0	109.6
189	T	25.4	Very low	26.6	Very low	119 Å²	119	127.1 Å²	127.1	73%	0.73	70%	0.701	S	S	*	*			trans	-90.6	125.3	172.8	-15.5	0	0	0	0	108.7	K187 D191	K187-T189 PolarHBondContact O-N 2.86Å; K187-T189 PolarHBondContact O-OG1 3Å; T189-D191 PolarHBondContact O-N 3.33Å
190	L	26.8	Very low	26.6	Very low	149 Å²	149	124.9 Å²	124.9	78%	0.78	70%	0.7	S	S	*	*			trans	-72.5	109.7	176.9	-77.3	167.3	0	0	0	109.9	M459	L190-M459 HydrophobicContact CD1-CE 3.94Å
191	D	26.8	Very low	26.7	Very low	73 Å²	73	127.6 Å²	127.6	39%	0.39	71%	0.707	S	S	.	*			trans	-77.3	128.3	175.6	178.3	6.7	0	0	0	109.8	T189 N193 K194	T189-D191 PolarHBondContact O-N 3.33Å; D191-N193 PolarHBondContact O-N 3.22Å; D191-N193 WeakPolarHBondContact OD1-CB 3.5Å; D191-N193 PolarHBondContact OD1-N 3.39Å; D191-N193 PolarHBondContact OD1-ND2 2.86Å; D191-K194 HydrophobicContact CB-CB 4.26Å; D191-K194 HydrophobicContact CB-CD 4.18Å; D191-K194 HydrophobicContact CB-CG 3.98Å; D191-K194 WeakPolarHBondContact O-CA 3.3Å; D191-K194 WeakPolarHBondContact O-CB 3.23Å; D191-K194 PolarHBondContact O-N 3.07Å
192	I	31.8	Very low	26.8	Very low	127 Å²	127	125.4 Å²	125.4	65%	0.651	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-69	-20.6	179.5	-67.3	175.2	0	0	0	111.2	K194 L195	I192-K194 PolarHBondContact O-N 3.48Å; I192-L195 HydrophobicContact CG2-CD1 4.47Å
193	N	30.7	Very low	26.8	Very low	129 Å²	129	123.1 Å²	123.1	69%	0.69	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-72.1	-17.9	170	-53.6	-81	0	0	0	112.3	D191 L195	D191-N193 PolarHBondContact O-N 3.22Å; D191-N193 WeakPolarHBondContact OD1-CB 3.5Å; D191-N193 PolarHBondContact OD1-N 3.39Å; D191-N193 PolarHBondContact OD1-ND2 2.86Å; N193-L195 VanDerWaalsContact C-N 3.25Å; N193-L195 PolarHBondContact O-N 2.72Å
194	K	31.5	Very low	26.9	Very low	159 Å²	159	127.2 Å²	127.2	69%	0.691	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-86.3	23.3	174.6	-69.3	-172.9	174.7	-173.2	0	114.3	D191 I192	D191-K194 HydrophobicContact CB-CB 4.26Å; D191-K194 HydrophobicContact CB-CD 4.18Å; D191-K194 HydrophobicContact CB-CG 3.98Å; D191-K194 WeakPolarHBondContact O-CA 3.3Å; D191-K194 WeakPolarHBondContact O-CB 3.23Å; D191-K194 PolarHBondContact O-N 3.07Å; I192-K194 PolarHBondContact O-N 3.48Å
195	L	30.4	Very low	26.9	Very low	92 Å²	92	130 Å²	130	48%	0.482	72%	0.715	S	S	.	*	G	3₁₀ helix	trans	-74.4	-12.7	161.2	-72	172.5	0	0	0	112.4	I192 N193 V197 N478	I192-L195 HydrophobicContact CG2-CD1 4.47Å; N193-L195 VanDerWaalsContact C-N 3.25Å; N193-L195 PolarHBondContact O-N 2.72Å; L195-V197 PolarHBondContact O-N 3.2Å; L195-N478 PolarHBondContact O-ND2 3.49Å
196	Y	29.8	Very low	27	Very low	52 Å²	52	126.1 Å²	126.1	20%	0.204	71%	0.71	C	S	.	*	S	Bend	trans	-63.4	107.3	152.3	-90.9	-88.5	0	0	0	110	S198 R529 E648	Y196-S198 PolarHBondContact O-N 2.83Å; Y196-R529 PolarHBondContact OH-NE 3.27Å; Y196-R529 PolarHBondContact OH-NH1 3.37Å; Y196-R529 PolarHBondContact OH-NH2 3.09Å; Y196-E648 WeakPolarHBondContact CD1-OE2 3.32Å; Y196-E648 HydrophobicContact CE1-CB 4.15Å; Y196-E648 HydrophobicContact CE1-CG 4.08Å
197	V	28.9	Very low	26.6	Very low	86 Å²	86	127.8 Å²	127.8	52%	0.521	71%	0.709	S	S	.	*			trans	-85	92.4	169.3	-178.9	0	0	0	0	108.3	L195 S199	L195-V197 PolarHBondContact O-N 3.2Å; V197-S199 PolarHBondContact O-N 3Å; V197-S199 VanDerWaalsContact O-N 3.16Å
198	S	23.2	Very low	26.7	Very low	92 Å²	92	127.5 Å²	127.5	64%	0.643	71%	0.71	S	S	*	*			trans	-60.3	114.9	175.1	-45.9	0	0	0	0	110.7	Y196 T200	Y196-S198 PolarHBondContact O-N 2.83Å; S198-T200 PolarHBondContact O-N 3.27Å
199	S	24.1	Very low	26.7	Very low	108 Å²	108	124 Å²	124	76%	0.755	70%	0.704	S	S	*	*			trans	-90.6	83	-177.9	-176.2	0	0	0	0	111.5	V197 M201	V197-S199 PolarHBondContact O-N 3Å; V197-S199 VanDerWaalsContact O-N 3.16Å; S199-M201 PolarHBondContact O-N 3.4Å; S199-M201 VanDerWaalsContact O-N 3.11Å
200	T	23.9	Very low	26.7	Very low	136 Å²	136	127.1 Å²	127.1	83%	0.834	71%	0.71	S	S	*	*			trans	-80.2	87.1	174.3	48.1	0	0	0	0	111.4	S198	S198-T200 PolarHBondContact O-N 3.27Å
201	M	24.4	Very low	27.3	Very low	172 Å²	172	124.5 Å²	124.5	85%	0.847	70%	0.703	S	S	*	*			trans	-103.8	107.5	165.3	-89.5	-71.1	176.6	0	0	109.7	S199	S199-M201 PolarHBondContact O-N 3.4Å; S199-M201 VanDerWaalsContact O-N 3.11Å
202	A	24.3	Very low	27.2	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	72%	0.724	S	S	*	*			trans	-130.1	103.8	171.4	0	0	0	0	0	108.9
203	S	23.9	Very low	27	Very low	122 Å²	122	128.7 Å²	128.7	85%	0.853	72%	0.724	S	S	*	*			trans	-63.8	135.3	-179.3	-54.8	0	0	0	0	111.5
204	K	25.2	Very low	26.7	Very low	198 Å²	198	132 Å²	132	86%	0.861	74%	0.736	S	S	*	*			trans	-128.3	131.4	159.3	-76.4	-167.4	173.7	-174.6	0	109.9
205	I	26.8	Very low	26.4	Very low	164 Å²	164	127.8 Å²	127.8	84%	0.841	74%	0.737	S	S	*	*			trans	-77.1	136.1	173.7	-62.1	164.8	0	0	0	107.5
206	P	25.2	Very low	26.2	Very low	114 Å²	114	133.6 Å²	133.6	74%	0.74	76%	0.759	S	S	*	*			trans	-82.1	152.4	171.8	34.3	-34.1	0	0	0	111.4
207	D	23.9	Very low	26	Very low	159 Å²	159	134.7 Å²	134.7	85%	0.85	78%	0.778	S	S	*	*			trans	-144	158	158.2	-159.4	4.4	0	0	0	109.5
208	E	27.6	Very low	25.8	Very low	183 Å²	183	139.6 Å²	139.6	86%	0.855	80%	0.795	S	S	*	*			trans	-59.1	158.2	-161.1	-71.1	-73.2	141.2	0	0	117.5
209	G	25.6	Very low	25.9	Very low	77 Å²	77	143.2 Å²	143.2	79%	0.794	80%	0.802	S	S	*	*			trans	159.2	52	166	0	0	0	0	0	120.7
210	E	25.9	Very low	25.9	Very low	183 Å²	183	143.3 Å²	143.3	86%	0.855	80%	0.803	S	S	*	*			trans	-79.6	173.1	166.7	-105.3	-154.1	-170.1	0	0	113
211	P	39	Very low	26	Very low	95 Å²	95	141 Å²	141	62%	0.617	80%	0.798	S	S	*	*			cis	-136.7	178	-35.6	37.4	-21.8	0	0	0	113.3
212	K	25.3	Very low	26.6	Very low	194 Å²	194	139 Å²	139	84%	0.843	80%	0.798	S	S	*	*			trans	179.8	133.5	130.4	-103.7	162.8	-174.8	173.1	0	118.9
213	S	26.7	Very low	26.6	Very low	93 Å²	93	137.8 Å²	137.8	65%	0.65	79%	0.794	S	S	*	*			trans	51.8	109.7	141	64.7	0	0	0	0	123.9
214	E	25.4	Very low	26.7	Very low	199 Å²	199	140.6 Å²	140.6	93%	0.93	79%	0.791	S	S	*	*				53.5	130.7	122	-58.1	-171.6	138.7	0	0	123.7
215	G	25.2	Very low	26.7	Very low	71 Å²	71	138.2 Å²	138.2	73%	0.732	78%	0.783	S	S	*	*				135.3	101.5	117.5	0	0	0	0	0	121.2
216	K	26	Very low	26.6	Very low	214 Å²	214	135.7 Å²	135.7	93%	0.93	77%	0.771	S	S	*	*			trans	60.8	171.7	149.2	-68.1	-177.8	177.5	-178.2	0	118.8
217	A	25.7	Very low	26.6	Very low	74 Å²	74	140.7 Å²	140.7	61%	0.612	78%	0.775	S	S	*	*			cis	-172.3	158.2	-42.2	0	0	0	0	0	108.7
218	E	25.5	Very low	26.5	Very low	189 Å²	189	137.9 Å²	137.9	88%	0.883	77%	0.768	S	S	*	*			trans	62.6	161.5	158.5	-83.4	163.6	-163.7	0	0	117.9
219	E	24.7	Very low	26.4	Very low	169 Å²	169	135.5 Å²	135.5	79%	0.79	77%	0.766	S	S	*	*			cis	-158.4	-177.9	-28.6	-147.9	-155.8	-177.7	0	0	109.4
220	S	23.9	Very low	26.3	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	76%	0.762	S	S	*	*			trans	81.9	140.2	152.7	80.6	0	0	0	0	121.2
221	A	26	Very low	26.2	Very low	89 Å²	89	138.1 Å²	138.1	74%	0.736	75%	0.749	S	S	*	*			trans	-115.2	171.2	156.3	0	0	0	0	0	108
222	P	36.6	Very low	25.5	Very low	130 Å²	130	141.1 Å²	141.1	84%	0.844	76%	0.755	S	S	*	*				-159.5	160.1	101.7	38.7	-19.8	0	0	0	118.2
223	G	24.4	Very low	25.4	Very low	68 Å²	68	136.5 Å²	136.5	70%	0.701	75%	0.746	S	S	*	*				112.2	130.8	113.8	0	0	0	0	0	122.2
224	K	27	Very low	25.4	Very low	181 Å²	181	138.4 Å²	138.4	79%	0.787	75%	0.749	S	S	*	*			trans	85	119.6	136.4	-68.1	-177.3	163	-171.3	0	123.2
225	Q	24.3	Very low	25.3	Very low	148 Å²	148	136.3 Å²	136.3	69%	0.692	74%	0.739	S	S	*	*				68.5	155.9	125.2	-59.9	179.2	-97.5	0	0	118.9
226	D	24.6	Very low	25.3	Very low	111 Å²	111	139.8 Å²	139.8	59%	0.594	74%	0.737	S	S	*	*			cis	-148.7	178.8	10.6	-145.7	-7.5	0	0	0	114.8
227	R	24.3	Very low	25.2	Very low	218 Å²	218	136.2 Å²	136.2	82%	0.823	72%	0.723	S	S	*	*			trans	-8.3	161.9	151.1	-77.3	162.8	165.7	-174.8	-5.9	120.6
228	S	23.5	Very low	25.1	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	73%	0.727	S	S	*	*			cis	177.6	-175.6	-7.5	179	0	0	0	0	109.5
229	V	24.4	Very low	25.1	Very low	133 Å²	133	136.9 Å²	136.9	81%	0.806	72%	0.724	S	S	*	*			trans	81.3	145.8	160	-175.6	0	0	0	0	117.1
230	R	23.6	Very low	25.3	Very low	189 Å²	189	133.6 Å²	133.6	71%	0.713	72%	0.72	S	S	*	*			cis	-179.8	134.7	-29.8	-178.9	178.4	172.2	-155.3	-24.7	109.8
231	E	24.3	Very low	25.4	Very low	127 Å²	127	135.7 Å²	135.7	59%	0.593	72%	0.723	S	S	*	*			trans	57.9	166.9	159	-75	155.9	-148.7	0	0	118.7
232	E	24.6	Very low	25.6	Very low	157 Å²	157	139.8 Å²	139.8	73%	0.734	73%	0.727	S	S	*	*			cis	-155.3	166.7	0.1	-132.4	170	-170.6	0	0	111
233	C	23.7	Very low	25.3	Very low	98 Å²	98	137.1 Å²	137.1	66%	0.662	72%	0.716	S	S	*	*			trans	46.1	155.7	146.8	-71.3	0	0	0	0	123.9
234	D	24.8	Very low	25.4	Very low	132 Å²	132	143 Å²	143	71%	0.706	73%	0.725	S	S	*	*			cis	-165.5	171.7	-32.1	-123.7	-38.6	0	0	0	112.5
235	E	24.1	Very low	25.4	Very low	155 Å²	155	139.9 Å²	139.9	72%	0.724	73%	0.726	S	S	*	*			trans	53.8	123.9	149.2	-71.8	-171.4	153.7	0	0	124.9
236	E	24.8	Very low	25.5	Very low	145 Å²	145	141.5 Å²	141.5	68%	0.678	73%	0.733	S	S	*	*			trans	70	160.5	130.2	-64.7	-147.8	127.9	0	0	122
237	Q	24.7	Very low	25.6	Very low	139 Å²	139	144.2 Å²	144.2	65%	0.65	75%	0.745	S	S	*	*			cis	-158.3	164.5	-6	-130.1	-178.9	39.8	0	0	112.1
238	S	24.1	Very low	25.7	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	74%	0.739	S	S	*	*			trans	68.2	162.7	149.4	82.8	0	0	0	0	119.5
239	Q	25.5	Very low	26.8	Very low	176 Å²	176	139.5 Å²	139.5	82%	0.822	74%	0.742	S	S	*	*			cis	-164.2	167.5	-23.9	-113.6	177.9	-7	0	0	110.7
240	S	27.6	Very low	27.7	Very low	100 Å²	100	138 Å²	138	70%	0.699	74%	0.735	S	S	*	*			trans	59.7	170.9	155.9	62.9	0	0	0	0	121.8
241	D	27.1	Very low	27.9	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	74%	0.742	S	S	*	*				-168.7	172.4	-51.3	-80.4	-42.7	0	0	0	106.5
242	E	29.6	Very low	28.1	Very low	176 Å²	176	137.7 Å²	137.7	82%	0.822	75%	0.751	S	S	*	*			cis	-154.9	-171.6	2.1	-145.2	-157.8	135.7	0	0	109.9
243	A	29.7	Very low	28.7	Very low	74 Å²	74	136.1 Å²	136.1	61%	0.612	75%	0.754	S	S	*	*			trans	51.2	119.5	153	0	0	0	0	0	121.2
244	E	27.2	Very low	28.9	Very low	191 Å²	191	137 Å²	137	89%	0.893	76%	0.762	S	S	*	*				70.7	143.7	73.4	-67.6	-159.7	170.8	0	0	115.3
245	S	27.7	Very low	29.1	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	77%	0.769	S	S	*	*			cis	-156.5	-172.5	36.7	51.1	0	0	0	0	115.1
246	E	25	Very low	29.5	Very low	182 Å²	182	136 Å²	136	85%	0.85	77%	0.773	S	S	*	*			trans	-77	168.8	-165	-45.6	-173.4	115.9	0	0	118
247	M	26.6	Very low	29.6	Very low	169 Å²	169	138.8 Å²	138.8	83%	0.833	78%	0.783	S	S	*	*				-170.7	149.3	113.2	-161.9	54.8	175.6	0	0	113.7
248	S	26.9	Very low	29.7	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	79%	0.792	S	S	*	*			trans	-175.1	175.7	172.3	-84.4	0	0	0	0	111.8
249	P	47.9	Very low	29.8	Very low	119 Å²	119	141.6 Å²	141.6	77%	0.773	80%	0.8	S	S	*	*				-111.7	-148.9	-50.6	35.5	-16.5	0	0	0	109
250	P	41.4	Very low	29.8	Very low	100 Å²	100	142.3 Å²	142.3	65%	0.649	80%	0.8	S	S	*	*				-164.5	170.9	69.2	44.5	-21.6	0	0	0	121.2
251	K	28	Very low	29.5	Very low	199 Å²	199	142.8 Å²	142.8	87%	0.865	80%	0.803	S	S	*	*			trans	79.4	157.6	143.2	-80.2	160.3	-174.5	172.5	0	123
252	S	28.1	Very low	29.4	Very low	112 Å²	112	144.9 Å²	144.9	78%	0.783	81%	0.805	S	S	*	*			trans	-150.2	160.1	-177.3	-38.6	0	0	0	0	110.6
253	P	38.9	Very low	29.2	Very low	123 Å²	123	143.6 Å²	143.6	80%	0.799	80%	0.804	S	S	*	*			trans	-136.6	176.9	143.4	17.8	4.4	0	0	0	111.4
254	S	28.2	Very low	28.9	Very low	117 Å²	117	145.2 Å²	145.2	82%	0.818	81%	0.811	S	S	*	*			cis	158.2	155.8	-19.9	-79.5	0	0	0	0	106.3
255	T	28.2	Very low	28.8	Very low	139 Å²	139	143 Å²	143	85%	0.853	80%	0.8	S	S	*	*			trans	-92.3	156.3	-171.3	52.5	0	0	0	0	115.5
256	P	32	Very low	28.7	Very low	126 Å²	126	146 Å²	146	82%	0.818	80%	0.799	S	S	*	*			trans	-112.6	174.1	163.3	38.3	-29.9	0	0	0	114.3
257	K	27	Very low	28.6	Very low	204 Å²	204	142.9 Å²	142.9	89%	0.887	80%	0.798	S	S	*	*			trans	-125.2	162.6	178.9	-80.1	-178.1	177.4	176.3	0	112.9
258	N	27.7	Very low	28.6	Very low	158 Å²	158	141.3 Å²	141.3	85%	0.845	79%	0.792	S	S	*	*			trans	-37.3	137.4	176.7	-129.2	-33.1	0	0	0	118.6
259	V	24.5	Very low	28.6	Very low	140 Å²	140	145.1 Å²	145.1	85%	0.848	80%	0.796	S	S	*	*			trans	-144.5	157.3	161.4	-179.3	0	0	0	0	109
260	K	25.6	Very low	27.6	Very low	191 Å²	191	144.2 Å²	144.2	83%	0.83	79%	0.793	S	S	*	*			trans	-105.1	167.4	-166.6	-78.9	-175.9	171.8	-176.7	0	116.5
261	S	22.7	Very low	26.9	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	80%	0.799	S	S	*	*			trans	88.7	149	158.5	82.9	0	0	0	0	116.8
262	K	24.1	Very low	26.9	Very low	197 Å²	197	146.2 Å²	146.2	86%	0.857	80%	0.799	S	S	*	*			cis	-132.8	178.8	12.7	-78.7	-174.2	177.2	-179.9	0	114.4
263	N	24.7	Very low	26.9	Very low	150 Å²	150	147.1 Å²	147.1	80%	0.802	80%	0.796	S	S	*	*			trans	-75.5	157.6	-166.7	-46.5	-1.2	0	0	0	118
264	S	24	Very low	26.2	Very low	108 Å²	108	145 Å²	145	76%	0.755	80%	0.796	S	S	*	*				-160.5	116.9	120.1	-175.3	0	0	0	0	107.3
265	E	25.2	Very low	26.1	Very low	143 Å²	143	147.9 Å²	147.9	67%	0.668	80%	0.799	S	S	*	*				56.9	126.6	81.8	-98.2	166.2	-139	0	0	113.6
266	F	25.1	Very low	26	Very low	179 Å²	179	147.8 Å²	147.8	79%	0.785	80%	0.797	S	S	*	*			cis	-136.8	164.5	21.9	-105	-89.9	0	0	0	115.5
267	S	22.9	Very low	25.7	Very low	117 Å²	117	147.6 Å²	147.6	82%	0.818	79%	0.794	S	S	*	*			trans	-149.2	166	155.7	-169.2	0	0	0	0	110
268	L	27.1	Very low	25.6	Very low	135 Å²	135	143.5 Å²	143.5	71%	0.707	79%	0.791	S	S	*	*			trans	-114.4	149.4	-157.6	-82	171.4	0	0	0	117.1
269	F	27.8	Very low	25.5	Very low	180 Å²	180	140.8 Å²	140.8	79%	0.789	78%	0.784	S	S	*	*			trans	66.4	96.9	160.2	-62	-57.9	0	0	0	122.1
270	S	26.4	Very low	25.8	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	78%	0.784	S	S	*	*				34.9	114.3	129	-57.8	0	0	0	0	123.5
271	F	26.7	Very low	25.9	Very low	178 Å²	178	141.8 Å²	141.8	78%	0.781	79%	0.785	S	S	*	*				31.7	133.6	119	-69.5	-78.5	0	0	0	122
272	N	28	Very low	26	Very low	163 Å²	163	145.1 Å²	145.1	87%	0.872	79%	0.789	S	S	*	*				-140.7	156.1	110.4	-156.4	-2.3	0	0	0	111
273	N	27	Very low	26.3	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	79%	0.787	S	S	*	*			trans	-98.4	149.6	-169.8	-78.1	-16.6	0	0	0	113.9
274	G	26.2	Very low	26.3	Very low	78 Å²	78	145.3 Å²	145.3	80%	0.804	79%	0.792	S	S	*	*			trans	-152.4	94.9	168.7	0	0	0	0	0	111.4
275	M	25	Very low	26.8	Very low	178 Å²	178	147 Å²	147	88%	0.877	79%	0.793	S	S	*	*			trans	-95.8	123.2	-177.1	-172.2	178.4	94.5	0	0	111.1
276	V	26.5	Very low	27.3	Very low	136 Å²	136	148 Å²	148	82%	0.824	80%	0.802	S	S	*	*			trans	-132.9	141	172	-176.2	0	0	0	0	109.7
277	V	26	Very low	27.6	Very low	122 Å²	122	151.3 Å²	151.3	74%	0.739	81%	0.81	S	S	*	*			trans	-81.9	128.4	-169	179.6	0	0	0	0	112.2	S279	V277-S279 PolarHBondContact O-N 3.35Å
278	S	24.5	Very low	28.4	Very low	119 Å²	119	149.8 Å²	149.8	83%	0.832	80%	0.799	S	S	*	*			trans	-79	105.8	166	-70.9	0	0	0	0	110.9
279	S	25.6	Very low	28.8	Very low	101 Å²	101	147.6 Å²	147.6	71%	0.706	80%	0.8	S	S	*	*			trans	-89.8	125.1	168	-175.1	0	0	0	0	110.3	V277	V277-S279 PolarHBondContact O-N 3.35Å
280	C	30.4	Very low	29.5	Very low	125 Å²	125	143.2 Å²	143.2	85%	0.845	79%	0.785	S	S	*	*			trans	-71.8	130.9	170.9	-59	0	0	0	0	110.5
281	R	28.3	Very low	30.4	Very low	226 Å²	226	138.9 Å²	138.9	85%	0.853	76%	0.755	S	S	*	*			trans	-139.7	158	161.4	-77.1	-163.1	169.8	178.1	-3.4	110.6
282	E	25.5	Very low	31.2	Very low	180 Å²	180	133.3 Å²	133.3	84%	0.841	74%	0.741	S	S	*	*			trans	-77.2	168.8	-159.1	-64.4	123.8	126.6	0	0	115.5
283	L	30.4	Very low	31.8	Very low	157 Å²	157	125.8 Å²	125.8	82%	0.822	70%	0.702	S	S	*	*			trans	-77	122	175.6	-77.6	78.6	0	0	0	111.2
284	E	24.2	Very low	32.5	Very low	194 Å²	194	121.5 Å²	121.5	91%	0.907	68%	0.682	S	S	*	*			trans	-92	115.8	149.6	-72.9	-162.1	135.3	0	0	110.3	N286	E284-N286 PolarHBondContact O-N 3.21Å; E284-N286 VanDerWaalsContact O-N 3.08Å
285	N	35.2	Very low	33.4	Very low	145 Å²	145	119.9 Å²	119.9	78%	0.775	66%	0.661	S	S	*	*			trans	-75.7	89.1	175.4	-101.9	-25.6	0	0	0	110.7
286	N	33.6	Very low	34.5	Very low	162 Å²	162	116.7 Å²	116.7	87%	0.866	64%	0.643	S	S	*	*			trans	-159.2	75.9	161.9	-99	-37.8	0	0	0	112.6	E284	E284-N286 PolarHBondContact O-N 3.21Å; E284-N286 VanDerWaalsContact O-N 3.08Å
287	R	32.8	Very low	35.5	Very low	249 Å²	249	112.7 Å²	112.7	94%	0.94	62%	0.624	S	S	*	*			trans	-124.9	124.7	162	-73.7	-169.3	178.1	-168.7	0.7	110.3	A289	R287-A289 PolarHBondContact O-N 3.05Å
288	S	38.7	Very low	36.3	Very low	86 Å²	86	110.7 Å²	110.7	60%	0.601	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-62.7	126.7	173.5	47.3	0	0	0	0	110.8	L290	S288-L290 PolarHBondContact O-N 3.46Å
289	A	36.5	Very low	37.2	Very low	88 Å²	88	108.6 Å²	108.6	73%	0.727	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-67.4	124.9	174.4	0	0	0	0	0	110.4	R287	R287-A289 PolarHBondContact O-N 3.05Å
290	L	41.8	Very low	38.1	Very low	89 Å²	89	107 Å²	107	47%	0.466	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-69.5	138.8	169.7	-76.8	158.2	0	0	0	109.6	S288 I298	S288-L290 PolarHBondContact O-N 3.46Å; L290-I298 HydrophobicContact CD1-CD1 4.03Å; L290-I298 HydrophobicContact CD2-CD1 4.13Å
291	S	45.3	Very low	38.4	Very low	9 Å²	9	104.1 Å²	104.1	6%	0.063	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-57	150.1	171.9	174.3	0	0	0	0	111.3	S109 S110 A293 S294 A295	S109-S291 PolarHBondContact OG-OG 3.28Å; S110-S291 WeakPolarHBondContact CB-OG 3.28Å; S291-A293 PolarHBondContact O-N 3.09Å; S291-A293 PolarHBondContact OG-N 3.38Å; S291-S294 PolarHBondContact O-N 3.39Å; S291-S294 VanDerWaalsContact O-N 3.11Å; S291-A295 WeakPolarHBondContact O-CB 3.49Å; S291-A295 PolarHBondContact O-N 2.95Å
292	A	44	Very low	38.7	Very low	61 Å²	61	96 Å²	96	50%	0.504	56%	0.556	S	S	.	*	H	α-helix	trans	-57.7	-34.7	172.6	0	0	0	0	0	112.3	F296	A292-F296 VanDerWaalsContact O-CB 3.29Å; A292-F296 WeakPolarHBondContact O-CB 3.3Å; A292-F296 PolarHBondContact O-N 3.15Å
293	A	41.2	Very low	39.3	Very low	5 Å²	5	92 Å²	92	4%	0.041	55%	0.554	C	S	.	*	H	α-helix	trans	-66.5	-43.9	174.4	0	0	0	0	0	112.2	M16 F106 S291 F296 A297	M16-A293 HydrophobicContact CE-CB 4.25Å; F106-A293 HydrophobicContact CE1-CB 4.33Å; F106-A293 HydrophobicContact CZ-CB 4.26Å; S291-A293 PolarHBondContact O-N 3.09Å; S291-A293 PolarHBondContact OG-N 3.38Å; A293-F296 PolarHBondContact O-N 3.39Å; A293-A297 PolarHBondContact O-N 3.03Å
294	S	40.9	Very low	39.4	Very low	42 Å²	42	92.3 Å²	92.3	29%	0.294	56%	0.557	S	S	.	*	H	α-helix	trans	-66.3	-42.3	175.8	-52.4	0	0	0	0	111.7	S291 F296 A297 I298	S291-S294 PolarHBondContact O-N 3.39Å; S291-S294 VanDerWaalsContact O-N 3.11Å; S294-F296 VanDerWaalsContact C-N 3.34Å; S294-F296 PolarHBondContact O-N 3.12Å; S294-A297 PolarHBondContact O-N 3.43Å; S294-I298 WeakPolarHBondContact O-CB 3.12Å; S294-I298 WeakPolarHBondContact O-CD1 3.33Å; S294-I298 WeakPolarHBondContact O-CG1 3.47Å; S294-I298 PolarHBondContact O-N 2.91Å
295	A	44.4	Very low	39.9	Very low	44 Å²	44	92.5 Å²	92.5	36%	0.364	56%	0.557	S	S	.	*	H	α-helix	trans	-65	-36.7	176.9	0	0	0	0	0	111.9	S291 I298 A299	S291-A295 WeakPolarHBondContact O-CB 3.49Å; S291-A295 PolarHBondContact O-N 2.95Å; A295-I298 PolarHBondContact O-N 3.43Å; A295-A299 WeakPolarHBondContact O-CB 3.39Å; A295-A299 PolarHBondContact O-N 2.83Å
296	F	48.5	Very low	40	Very low	111 Å²	111	88.7 Å²	88.7	49%	0.487	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-48.8	172.8	-175.6	-103	0	0	0	111.4	L62 A292 A293 S294 I298 A299 T300	L62-F296 HydrophobicContact CD1-CZ 3.91Å; A292-F296 VanDerWaalsContact O-CB 3.29Å; A292-F296 WeakPolarHBondContact O-CB 3.3Å; A292-F296 PolarHBondContact O-N 3.15Å; A293-F296 PolarHBondContact O-N 3.39Å; S294-F296 VanDerWaalsContact C-N 3.34Å; S294-F296 PolarHBondContact O-N 3.12Å; F296-I298 VanDerWaalsContact C-N 3.29Å; F296-I298 PolarHBondContact O-N 3.05Å; F296-A299 PolarHBondContact O-N 2.99Å; F296-T300 HydrophobicContact CE1-CG2 4.35Å; F296-T300 HydrophobicContact CZ-CG2 4.25Å; F296-T300 PolarHBondContact O-N 2.66Å; F296-T300 PolarHBondContact O-OG1 3.43Å; F296-T300 VanDerWaalsContact O-OG1 3.13Å
297	A	46.8	Very low	39.9	Very low	52 Å²	52	87.5 Å²	87.5	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-63.3	-30.5	176.7	0	0	0	0	0	113.7	A293 S294 T300 A301	A293-A297 PolarHBondContact O-N 3.03Å; S294-A297 PolarHBondContact O-N 3.43Å; A297-T300 PolarHBondContact O-OG1 3.28Å; A297-A301 WeakPolarHBondContact O-CB 3.48Å; A297-A301 PolarHBondContact O-N 3.3Å
298	I	44	Very low	40.1	Very low	79 Å²	79	78.1 Å²	78.1	41%	0.405	52%	0.523	S	S	.	.	H	α-helix	trans	-76.3	-40	173.6	-70.6	164.1	0	0	0	111	L290 S294 A295 F296 A301	L290-I298 HydrophobicContact CD1-CD1 4.03Å; L290-I298 HydrophobicContact CD2-CD1 4.13Å; S294-I298 WeakPolarHBondContact O-CB 3.12Å; S294-I298 WeakPolarHBondContact O-CD1 3.33Å; S294-I298 WeakPolarHBondContact O-CG1 3.47Å; S294-I298 PolarHBondContact O-N 2.91Å; A295-I298 PolarHBondContact O-N 3.43Å; F296-I298 VanDerWaalsContact C-N 3.29Å; F296-I298 PolarHBondContact O-N 3.05Å; I298-A301 CarbonylContact O-C 3.53Å; I298-A301 PolarHBondContact O-N 3.13Å; I298-A301 VanDerWaalsContact O-N 3.15Å
299	A	42.3	Very low	40	Very low	76 Å²	76	79.4 Å²	79.4	63%	0.628	53%	0.527	S	S	*	.	H	α-helix	trans	-68.1	-33.3	179.1	0	0	0	0	0	112.7	A295 F296 A301	A295-A299 WeakPolarHBondContact O-CB 3.39Å; A295-A299 PolarHBondContact O-N 2.83Å; F296-A299 PolarHBondContact O-N 2.99Å; A299-A301 VanDerWaalsContact C-N 3.28Å
300	T	45.9	Very low	40	Very low	68 Å²	68	84.4 Å²	84.4	42%	0.417	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-13.1	172.2	53.8	0	0	0	0	113.6	F296 A297 Q385	F296-T300 HydrophobicContact CE1-CG2 4.35Å; F296-T300 HydrophobicContact CZ-CG2 4.25Å; F296-T300 PolarHBondContact O-N 2.66Å; F296-T300 PolarHBondContact O-OG1 3.43Å; F296-T300 VanDerWaalsContact O-OG1 3.13Å; A297-T300 PolarHBondContact O-OG1 3.28Å; T300-Q385 PolarHBondContact O-NE2 3.23Å; T300-Q385 PolarHBondContact O-OE1 2.98Å
301	A	35.3	Very low	39.6	Very low	63 Å²	63	86.6 Å²	86.6	52%	0.521	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	25.1	174.8	0	0	0	0	0	113	A297 I298 A299	A297-A301 WeakPolarHBondContact O-CB 3.48Å; A297-A301 PolarHBondContact O-N 3.3Å; I298-A301 CarbonylContact O-C 3.53Å; I298-A301 PolarHBondContact O-N 3.13Å; I298-A301 VanDerWaalsContact O-N 3.15Å; A299-A301 VanDerWaalsContact C-N 3.28Å
302	G	35.4	Very low	39.2	Very low	56 Å²	56	92.5 Å²	92.5	58%	0.577	57%	0.565	S	S	*	*			trans	-76.3	123.6	-167.1	0	0	0	0	0	116.3
303	A	37.4	Very low	39	Very low	97 Å²	97	95.5 Å²	95.5	80%	0.802	56%	0.564	S	S	*	*	S	Bend	trans	60.1	66.5	144.8	0	0	0	0	0	119.1
304	N	34.1	Very low	38.8	Very low	163 Å²	163	103.7 Å²	103.7	87%	0.872	59%	0.594	S	S	*	*			trans	-161.2	86.4	132.4	-120.4	-0.8	0	0	0	112.6
305	E	33.9	Very low	38.9	Very low	197 Å²	197	111.3 Å²	111.3	92%	0.921	62%	0.616	S	S	*	*	S	Bend	trans	-179.3	171	144.5	-105.5	168.1	-147.1	0	0	110.5
306	G	36.8	Very low	38.7	Very low	66 Å²	66	114 Å²	114	68%	0.68	62%	0.622	S	S	*	*			trans	-63	156.8	-169.4	0	0	0	0	0	115.4	P308	G306-P308 VanDerWaalsContact O-CD 3.27Å; G306-P308 WeakPolarHBondContact O-CD 3.32Å; G306-P308 VanDerWaalsContact O-N 3.16Å
307	T	31.8	Very low	38.4	Very low	136 Å²	136	111.3 Å²	111.3	83%	0.834	62%	0.617	S	S	*	*			trans	-49.4	115.7	-176.3	46.8	0	0	0	0	113
308	P	36.3	Very low	38.1	Very low	53 Å²	53	113.3 Å²	113.3	34%	0.344	62%	0.62	S	S	.	*			trans	-57.4	141.6	170.6	-23.6	32.6	0	0	0	111.3	G306 K312 Y313	G306-P308 VanDerWaalsContact O-CD 3.27Å; G306-P308 WeakPolarHBondContact O-CD 3.32Å; G306-P308 VanDerWaalsContact O-N 3.16Å; P308-K312 HydrophobicContact CB-CB 4.3Å; P308-K312 HydrophobicContact CB-CD 4.24Å; P308-Y313 HydrophobicContact CB-CD2 4.29Å; P308-Y313 HydrophobicContact CB-CE2 3.74Å; P308-Y313 HydrophobicContact CG-CE2 3.96Å; P308-Y313 WeakPolarHBondContact O-CE2 3.36Å
309	T	37.4	Very low	37.9	Very low	112 Å²	112	114.8 Å²	114.8	69%	0.687	64%	0.644	S	S	*	*			trans	-57.3	146.2	177.3	46.1	0	0	0	0	111.4	E311 K312	T309-E311 PolarHBondContact O-N 2.95Å; T309-K312 PolarHBondContact O-N 3.43Å
310	K	36	Very low	37.7	Very low	194 Å²	194	114.3 Å²	114.3	84%	0.843	64%	0.636	S	S	*	*	H	α-helix	trans	-47.4	-28.5	-174	-85.8	179.4	172.7	174.5	0	114.6	Y313 R314	K310-Y313 PolarHBondContact O-N 3.03Å; K310-R314 PolarHBondContact O-N 2.87Å
311	E	33.3	Very low	37.4	Very low	134 Å²	134	117.9 Å²	117.9	63%	0.626	66%	0.658	S	S	*	*	H	α-helix	trans	-69.2	-35.7	-179.7	-167	142.7	-127.7	0	0	113.9	T309 Y313 R314	T309-E311 PolarHBondContact O-N 2.95Å; E311-Y313 VanDerWaalsContact C-N 3.29Å; E311-Y313 PolarHBondContact O-N 2.72Å; E311-R314 PolarHBondContact O-N 3.04Å
312	K	37.1	Very low	37.7	Very low	133 Å²	133	118.1 Å²	118.1	58%	0.578	67%	0.666	S	S	*	*	H	α-helix	trans	-68.1	-31.5	175.9	-161.5	174.1	-174.6	178.3	0	111.6	P308 T309	P308-K312 HydrophobicContact CB-CB 4.3Å; P308-K312 HydrophobicContact CB-CD 4.24Å; T309-K312 PolarHBondContact O-N 3.43Å
313	Y	39.1	Very low	37.7	Very low	124 Å²	124	119.3 Å²	119.3	49%	0.486	66%	0.656	S	S	.	*	H	α-helix	trans	-73.1	-29.9	175.6	-77.8	-74.6	0	0	0	114	P308 K310 E311 R315 M316 S317	P308-Y313 HydrophobicContact CB-CD2 4.29Å; P308-Y313 HydrophobicContact CB-CE2 3.74Å; P308-Y313 HydrophobicContact CG-CE2 3.96Å; P308-Y313 WeakPolarHBondContact O-CE2 3.36Å; K310-Y313 PolarHBondContact O-N 3.03Å; E311-Y313 VanDerWaalsContact C-N 3.29Å; E311-Y313 PolarHBondContact O-N 2.72Å; Y313-R315 PolarHBondContact O-N 2.7Å; Y313-M316 HydrophobicContact CD1-CE 4.07Å; Y313-M316 HydrophobicContact CE1-CE 4.25Å; Y313-M316 PolarHBondContact O-N 3.13Å; Y313-M316 VanDerWaalsContact O-N 3.11Å; Y313-S317 PolarHBondContact O-N 3.44Å
314	R	37.9	Very low	38.1	Very low	178 Å²	178	118.5 Å²	118.5	67%	0.672	64%	0.643	S	S	*	*	H	α-helix	trans	-57.2	-35.4	176.5	-87.4	-174.8	172.5	167.1	-3.6	112.8	K310 E311	K310-R314 PolarHBondContact O-N 2.87Å; E311-R314 PolarHBondContact O-N 3.04Å
315	R	42.6	Very low	38.8	Very low	201 Å²	201	115.1 Å²	115.1	76%	0.758	63%	0.628	S	S	*	*	H	α-helix	trans	-72.3	-26.6	178.7	-57.5	-173	-162.2	159.8	5.2	113.6	Y313	Y313-R315 PolarHBondContact O-N 2.7Å
316	M	40.6	Very low	39.5	Very low	101 Å²	101	111.5 Å²	111.5	50%	0.498	62%	0.615	S	S	.	*	H	α-helix	trans	-92.6	-5.2	-177	-68.1	-170.9	-72.4	0	0	114.3	Y313	Y313-M316 HydrophobicContact CD1-CE 4.07Å; Y313-M316 HydrophobicContact CE1-CE 4.25Å; Y313-M316 PolarHBondContact O-N 3.13Å; Y313-M316 VanDerWaalsContact O-N 3.11Å
317	S	42.2	Very low	40.4	Very low	55 Å²	55	114 Å²	114	39%	0.385	61%	0.609	S	S	.	*	S	Bend	trans	-147.4	46.6	-172.6	-171.5	0	0	0	0	114.1	Y313	Y313-S317 PolarHBondContact O-N 3.44Å
318	L	40.2	Very low	41.6	Very low	93 Å²	93	113.1 Å²	113.1	49%	0.487	59%	0.59	S	S	.	*			trans	-129.2	58.9	169.7	-75.9	178.6	0	0	0	112.8	S320 F323	L318-S320 PolarHBondContact O-N 2.85Å; L318-F323 HydrophobicContact CB-CE2 4.07Å; L318-F323 HydrophobicContact CD1-CE2 4.33Å; L318-F323 HydrophobicContact CD1-CZ 4.15Å
319	A	40.1	Very low	42.7	Very low	110 Å²	110	114.6 Å²	114.6	91%	0.909	60%	0.595	S	S	*	*			trans	-69.8	61.1	156.2	0	0	0	0	0	110.5
320	S	37.6	Very low	44	Very low	66 Å²	66	111 Å²	111	46%	0.462	58%	0.581	S	S	.	*			trans	-108.1	141	177.2	-169.4	0	0	0	0	110.2	L318 G322	L318-S320 PolarHBondContact O-N 2.85Å; S320-G322 VanDerWaalsContact C-N 3.3Å; S320-G322 PolarHBondContact O-N 2.87Å
321	T	40.8	Very low	45.7	Very low	144 Å²	144	105.7 Å²	105.7	88%	0.883	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	74.5	-174.8	49.5	0	0	0	0	111.5
322	G	40.5	Very low	47.9	Very low	67 Å²	67	104 Å²	104	69%	0.691	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.1	-13.7	178.8	0	0	0	0	0	117.5	S320	S320-G322 VanDerWaalsContact C-N 3.3Å; S320-G322 PolarHBondContact O-N 2.87Å
323	F	35.8	Very low	50	Low	82 Å²	82	101.3 Å²	101.3	36%	0.36	54%	0.542	S	S	.	.	S	Bend	trans	-81.2	150	-178.6	-69.6	-80.9	0	0	0	113.3	L318 R328	L318-F323 HydrophobicContact CB-CE2 4.07Å; L318-F323 HydrophobicContact CD1-CE2 4.33Å; L318-F323 HydrophobicContact CD1-CZ 4.15Å; F323-R328 HydrophobicContact CB-CG 4.32Å; F323-R328 VanDerWaalsContact O-CZ 3.29Å; F323-R328 PolarHBondContact O-NE 3.48Å; F323-R328 VanDerWaalsContact O-NE 3.09Å; F323-R328 PolarHBondContact O-NH2 2.94Å
324	P	45.1	Very low	52.1	Low	80 Å²	80	99.7 Å²	99.7	52%	0.519	54%	0.537	S	S	.	.			trans	-51.6	156.4	170.9	-27	35.7	0	0	0	113.3	D326	P324-D326 VanDerWaalsContact C-N 3.32Å; P324-D326 PolarHBondContact O-N 2.82Å
325	T	50.2	Low	54.3	Low	91 Å²	91	93.4 Å²	93.4	56%	0.558	52%	0.519	S	S	*	.	H	α-helix	trans	-61.1	-39.5	178.9	29.6	0	0	0	0	112.6	Q327 R328 N329	T325-Q327 PolarHBondContact O-N 2.62Å; T325-R328 PolarHBondContact O-N 3.48Å; T325-N329 PolarHBondContact O-N 3.41Å; T325-N329 VanDerWaalsContact O-N 3.08Å; T325-N329 PolarHBondContact O-ND2 3.2Å
326	D	47.9	Very low	56.4	Low	121 Å²	121	84.4 Å²	84.4	65%	0.647	49%	0.485	S	S	*	.	H	α-helix	trans	-69.7	-40.4	-169.9	-47	-44.5	0	0	0	111.9	P324 R328 N329 G330	P324-D326 VanDerWaalsContact C-N 3.32Å; P324-D326 PolarHBondContact O-N 2.82Å; D326-R328 PolarHBondContact O-N 3.08Å; D326-N329 WeakPolarHBondContact O-CB 3.25Å; D326-N329 PolarHBondContact O-N 3.36Å; D326-G330 PolarHBondContact O-N 3.32Å
327	Q	55.9	Low	58.6	Low	119 Å²	119	82.6 Å²	82.6	56%	0.556	47%	0.473	S	S	*	.	H	α-helix	trans	-65.5	-39.8	177.2	-164.2	152.1	44.7	0	0	111.6	T325 N329 G330 D331	T325-Q327 PolarHBondContact O-N 2.62Å; Q327-N329 PolarHBondContact O-N 3.31Å; Q327-G330 PolarHBondContact O-N 3.22Å; Q327-D331 PolarHBondContact O-N 2.91Å
328	R	56.5	Low	60.8	Low	117 Å²	117	80.7 Å²	80.7	44%	0.442	46%	0.457	S	S	.	.	H	α-helix	trans	-69.4	-14.6	173.2	-73.5	-173.2	-79.6	162.2	-7	114.1	F323 T325 D326 K332	F323-R328 HydrophobicContact CB-CG 4.32Å; F323-R328 VanDerWaalsContact O-CZ 3.29Å; F323-R328 PolarHBondContact O-NE 3.48Å; F323-R328 VanDerWaalsContact O-NE 3.09Å; F323-R328 PolarHBondContact O-NH2 2.94Å; T325-R328 PolarHBondContact O-N 3.48Å; D326-R328 PolarHBondContact O-N 3.08Å; R328-K332 WeakPolarHBondContact O-CG 3.26Å
329	N	59.9	Low	63.1	Low	84 Å²	84	77.5 Å²	77.5	45%	0.449	44%	0.444	S	S	.	.	H	α-helix	trans	-87.2	-41.6	171.2	-70.3	-22.4	0	0	0	111	T325 D326 Q327 D331 K332 E333	T325-N329 PolarHBondContact O-N 3.41Å; T325-N329 VanDerWaalsContact O-N 3.08Å; T325-N329 PolarHBondContact O-ND2 3.2Å; D326-N329 WeakPolarHBondContact O-CB 3.25Å; D326-N329 PolarHBondContact O-N 3.36Å; Q327-N329 PolarHBondContact O-N 3.31Å; N329-D331 VanDerWaalsContact C-N 3.35Å; N329-D331 PolarHBondContact O-N 2.85Å; N329-K332 WeakPolarHBondContact O-CB 3.48Å; N329-K332 PolarHBondContact O-N 3.06Å; N329-E333 PolarHBondContact O-N 3.06Å
330	G	64.1	Low	65.5	Low	37 Å²	37	72.2 Å²	72.2	38%	0.381	40%	0.401	S	S	.	.	H	α-helix	trans	-58.3	-41.8	172.3	0	0	0	0	0	113.4	D326 Q327 K332 E333 F334	D326-G330 PolarHBondContact O-N 3.32Å; Q327-G330 PolarHBondContact O-N 3.22Å; G330-K332 VanDerWaalsContact C-N 3.32Å; G330-K332 PolarHBondContact O-N 2.85Å; G330-E333 PolarHBondContact O-N 2.93Å; G330-F334 PolarHBondContact O-N 2.83Å
331	D	73.2	Confident	68.1	Low	83 Å²	83	69.1 Å²	69.1	44%	0.444	38%	0.379	S	S	.	.	H	α-helix	trans	-60.8	-39.2	175.5	-70.4	-32.4	0	0	0	112.4	Q327 N329 V335	Q327-D331 PolarHBondContact O-N 2.91Å; N329-D331 VanDerWaalsContact C-N 3.35Å; N329-D331 PolarHBondContact O-N 2.85Å; D331-V335 WeakPolarHBondContact O-CG2 3.27Å; D331-V335 PolarHBondContact O-N 3.09Å
332	K	78.1	Confident	70.4	Confident	98 Å²	98	64.6 Å²	64.6	43%	0.426	35%	0.349	S	S	.	.	H	α-helix	trans	-68.3	-47.3	175.4	-68.7	169.6	-171	165.3	0	111.2	F107 R328 N329 G330 F334 V335 I336	F107-K332 HydrophobicContact CE1-CB 4.36Å; F107-K332 HydrophobicContact CE1-CG 4.23Å; F107-K332 HydrophobicContact CE2-CB 4.27Å; F107-K332 HydrophobicContact CZ-CB 3.95Å; F107-K332 HydrophobicContact CZ-CG 4.27Å; R328-K332 WeakPolarHBondContact O-CG 3.26Å; N329-K332 WeakPolarHBondContact O-CB 3.48Å; N329-K332 PolarHBondContact O-N 3.06Å; G330-K332 VanDerWaalsContact C-N 3.32Å; G330-K332 PolarHBondContact O-N 2.85Å; K332-F334 VanDerWaalsContact C-N 3.3Å; K332-F334 PolarHBondContact O-N 2.85Å; K332-V335 PolarHBondContact O-N 2.76Å; K332-V335 VanDerWaalsContact O-N 3.14Å; K332-I336 WeakPolarHBondContact O-CG1 3.21Å; K332-I336 PolarHBondContact O-N 3.01Å
333	E	81.9	Confident	72.9	Confident	77 Å²	77	62.3 Å²	62.3	36%	0.36	32%	0.32	S	S	.	.	H	α-helix	trans	-54.9	-47.4	177.9	166.3	160.5	-167.5	0	0	111.2	I95 N329 G330 V335 I336 R337	I95-E333 HydrophobicContact CD1-CB 3.86Å; I95-E333 HydrophobicContact CD1-CG 3.65Å; N329-E333 PolarHBondContact O-N 3.06Å; G330-E333 PolarHBondContact O-N 2.93Å; E333-V335 VanDerWaalsContact C-N 3.33Å; E333-V335 PolarHBondContact O-N 3Å; E333-I336 PolarHBondContact O-N 2.58Å; E333-R337 VanDerWaalsContact CD-NH2 3.32Å; E333-R337 WeakPolarHBondContact O-CB 3.36Å; E333-R337 PolarHBondContact O-N 2.88Å; E333-R337 IonicContact OE1-CZ 3.74Å; E333-R337 IonicContact OE1-NH2 2.68Å; E333-R337 PolarHBondContact OE1-NH2 2.99Å
334	F	82.9	Confident	75.7	Confident	89 Å²	89	58.5 Å²	58.5	39%	0.39	30%	0.303	S	S	.	.	H	α-helix	trans	-57.9	-45.2	177	-177.6	-95	0	0	0	111.9	G330 K332 R337 R338	G330-F334 PolarHBondContact O-N 2.83Å; K332-F334 VanDerWaalsContact C-N 3.3Å; K332-F334 PolarHBondContact O-N 2.85Å; F334-R337 PolarHBondContact O-N 3.23Å; F334-R338 HydrophobicContact CD1-CG 4.33Å; F334-R338 HydrophobicContact CE1-CG 3.89Å; F334-R338 HydrophobicContact CE2-CG 4.19Å; F334-R338 HydrophobicContact CZ-CG 3.82Å; F334-R338 WeakPolarHBondContact O-CG 3.22Å; F334-R338 PolarHBondContact O-N 3.38Å
335	V	84.4	Confident	78	Confident	47 Å²	47	54.9 Å²	54.9	29%	0.285	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-39.1	177.6	171.6	0	0	0	0	112.1	F106 F107 D331 K332 E333 A339	F106-V335 HydrophobicContact CE1-CG1 4.09Å; F107-V335 HydrophobicContact CE1-CB 4.23Å; F107-V335 HydrophobicContact CE1-CG1 3.89Å; F107-V335 HydrophobicContact CZ-CB 4.14Å; F107-V335 HydrophobicContact CZ-CG1 3.98Å; D331-V335 WeakPolarHBondContact O-CG2 3.27Å; D331-V335 PolarHBondContact O-N 3.09Å; K332-V335 PolarHBondContact O-N 2.76Å; K332-V335 VanDerWaalsContact O-N 3.14Å; E333-V335 VanDerWaalsContact C-N 3.33Å; E333-V335 PolarHBondContact O-N 3Å; V335-A339 VanDerWaalsContact O-CB 3.32Å; V335-A339 WeakPolarHBondContact O-CB 3.37Å; V335-A339 PolarHBondContact O-N 3.43Å
336	I	86.4	Confident	80.1	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-49.7	172.7	-62.1	165.5	0	0	0	110.1	P94 I95 I98 L103 F107 K332 E333 R338 A339 A340	P94-I336 HydrophobicContact CB-CG2 4.04Å; I95-I336 HydrophobicContact CG1-CD1 4.12Å; I95-I336 HydrophobicContact CG1-CG2 4.48Å; I98-I336 HydrophobicContact CD1-CG2 4.33Å; L103-I336 HydrophobicContact CD1-CD1 4.33Å; L103-I336 HydrophobicContact CD2-CD1 4.16Å; L103-I336 HydrophobicContact CD2-CG1 4.11Å; L103-I336 HydrophobicContact CD2-CG2 3.79Å; F107-I336 HydrophobicContact CE2-CD1 3.87Å; F107-I336 HydrophobicContact CE2-CG1 3.53Å; F107-I336 HydrophobicContact CZ-CD1 4.44Å; F107-I336 HydrophobicContact CZ-CG1 3.8Å; K332-I336 WeakPolarHBondContact O-CG1 3.21Å; K332-I336 PolarHBondContact O-N 3.01Å; E333-I336 PolarHBondContact O-N 2.58Å; I336-R338 VanDerWaalsContact C-N 3.34Å; I336-R338 PolarHBondContact O-N 3.22Å; I336-A339 PolarHBondContact O-N 2.9Å; I336-A340 WeakPolarHBondContact O-CB 3.26Å; I336-A340 PolarHBondContact O-N 2.89Å
337	R	86.7	Confident	82.3	Confident	64 Å²	64	48.6 Å²	48.6	24%	0.242	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-44.2	-176.2	-166.6	-175.7	-61.7	164	-4	111.8	P94 E333 F334 T341 E381	P94-R337 HydrophobicContact CG-CB 4.44Å; P94-R337 HydrophobicContact CG-CG 4.43Å; E333-R337 VanDerWaalsContact CD-NH2 3.32Å; E333-R337 WeakPolarHBondContact O-CB 3.36Å; E333-R337 PolarHBondContact O-N 2.88Å; E333-R337 IonicContact OE1-CZ 3.74Å; E333-R337 IonicContact OE1-NH2 2.68Å; E333-R337 PolarHBondContact OE1-NH2 2.99Å; F334-R337 PolarHBondContact O-N 3.23Å; R337-T341 WeakPolarHBondContact O-CB 3.2Å; R337-T341 PolarHBondContact O-N 3.31Å; R337-T341 PolarHBondContact O-OG1 3.21Å; R337-E381 IonicContact CZ-OE2 3.94Å; R337-E381 IonicContact NH1-OE1 3.19Å; R337-E381 PolarHBondContact NH1-OE1 3.25Å; R337-E381 IonicContact NH1-OE2 3.65Å; R337-E381 PolarHBondContact NH1-OE2 3.2Å
338	R	88.1	Confident	84.2	Confident	15 Å²	15	43 Å²	43	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-72.7	-38.5	177.4	-58	-64	144.9	-151.9	-10	112.4	F334 I336 T341 N342 D379 E381 L383 E386	F334-R338 HydrophobicContact CD1-CG 4.33Å; F334-R338 HydrophobicContact CE1-CG 3.89Å; F334-R338 HydrophobicContact CE2-CG 4.19Å; F334-R338 HydrophobicContact CZ-CG 3.82Å; F334-R338 WeakPolarHBondContact O-CG 3.22Å; F334-R338 PolarHBondContact O-N 3.38Å; I336-R338 VanDerWaalsContact C-N 3.34Å; I336-R338 PolarHBondContact O-N 3.22Å; R338-T341 PolarHBondContact O-N 3.23Å; R338-N342 PolarHBondContact O-N 3.11Å; R338-N342 PolarHBondContact O-ND2 3.37Å; R338-D379 IonicContact CZ-OD2 2.71Å; R338-D379 IonicContact NH1-OD2 2.87Å; R338-D379 PolarHBondContact NH1-OD2 3.49Å; R338-D379 IonicContact NH2-OD2 3.82Å; R338-D379 PolarHBondContact NH2-OD2 2.88Å; R338-E381 IonicContact CZ-OE2 2.96Å; R338-E381 IonicContact NH2-OE2 3Å; R338-E381 PolarHBondContact NH2-OE2 2.99Å; R338-L383 HydrophobicContact CG-CD1 4.47Å; R338-E386 VanDerWaalsContact CD-OE1 3.28Å; R338-E386 WeakPolarHBondContact CD-OE1 3.49Å; R338-E386 WeakPolarHBondContact CD-OE2 3.31Å; R338-E386 IonicContact CZ-OE2 2.72Å; R338-E386 IonicContact NH1-OE2 2.8Å; R338-E386 PolarHBondContact NH1-OE2 3.15Å
339	A	88	Confident	86.1	Confident	25 Å²	25	42.1 Å²	42.1	21%	0.207	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-43.1	173.8	0	0	0	0	0	112.3	L59 F106 V335 I336 R343	L59-A339 HydrophobicContact CD1-CB 3.86Å; L59-A339 HydrophobicContact CD2-CB 4.47Å; F106-A339 HydrophobicContact CE1-CB 4.29Å; F106-A339 HydrophobicContact CZ-CB 3.85Å; V335-A339 VanDerWaalsContact O-CB 3.32Å; V335-A339 WeakPolarHBondContact O-CB 3.37Å; V335-A339 PolarHBondContact O-N 3.43Å; I336-A339 PolarHBondContact O-N 2.9Å; A339-R343 PolarHBondContact O-N 2.69Å
340	A	90.9	Very high	87.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-45.2	174.9	0	0	0	0	0	112.5	L59 I90 P94 I98 I336 N342 R343 V344	L59-A340 HydrophobicContact CD2-CB 4.25Å; I90-A340 HydrophobicContact CG2-CB 3.98Å; P94-A340 HydrophobicContact CB-CB 3.67Å; I98-A340 HydrophobicContact CD1-CB 4.23Å; I336-A340 WeakPolarHBondContact O-CB 3.26Å; I336-A340 PolarHBondContact O-N 2.89Å; A340-N342 PolarHBondContact O-N 2.97Å; A340-R343 WeakPolarHBondContact O-CB 2.91Å; A340-R343 PolarHBondContact O-N 3.42Å; A340-R343 VanDerWaalsContact O-N 3.1Å; A340-V344 WeakPolarHBondContact O-CG2 3.34Å; A340-V344 PolarHBondContact O-N 3.09Å
341	T	92.2	Very high	89.1	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-49.3	175.7	-61	0	0	0	0	111.4	Y91 R337 R338 R343 V344 L345 L382 E386	Y91-T341 HydrophobicContact CD2-CG2 4.17Å; Y91-T341 HydrophobicContact CE2-CG2 3.88Å; R337-T341 WeakPolarHBondContact O-CB 3.2Å; R337-T341 PolarHBondContact O-N 3.31Å; R337-T341 PolarHBondContact O-OG1 3.21Å; R338-T341 PolarHBondContact O-N 3.23Å; T341-R343 VanDerWaalsContact C-N 3.3Å; T341-R343 PolarHBondContact O-N 3.09Å; T341-V344 PolarHBondContact O-N 2.82Å; T341-L345 HydrophobicContact CG2-CD1 3.92Å; T341-L345 WeakPolarHBondContact O-CG 3.23Å; T341-L345 PolarHBondContact O-N 2.74Å; T341-L382 HydrophobicContact CG2-CD1 3.78Å; T341-E386 HydrophobicContact CG2-CB 4.28Å; T341-E386 HydrophobicContact CG2-CG 4.14Å
342	N	90.1	Very high	90.1	Very high	48 Å²	48	34.2 Å²	34.2	26%	0.257	16%	0.161	S	C	.	.	H	α-helix	trans	-64.3	-33.5	176.5	-77.8	-88.8	0	0	0	112.1	R338 A340 N346 E386	R338-N342 PolarHBondContact O-N 3.11Å; R338-N342 PolarHBondContact O-ND2 3.37Å; A340-N342 PolarHBondContact O-N 2.97Å; N342-N346 VanDerWaalsContact O-CB 3.27Å; N342-N346 WeakPolarHBondContact O-CB 3.26Å; N342-N346 PolarHBondContact O-N 2.89Å; N342-N346 PolarHBondContact O-ND2 3.32Å; N342-E386 PolarHBondContact ND2-OE1 3.41Å
343	R	91.5	Very high	90.7	Very high	20 Å²	20	32 Å²	32	8%	0.075	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-49.3	174.3	-179.5	51.1	172.9	-143.4	-3.7	111.9	L56 L59 F61 A339 A340 T341 L345 N346 V347	L56-R343 PolarHBondContact O-NE 2.87Å; L56-R343 PolarHBondContact O-NH2 2.97Å; L59-R343 HydrophobicContact CD2-CB 3.95Å; L59-R343 HydrophobicContact CD2-CG 4.42Å; F61-R343 VanDerWaalsContact O-CZ 3.26Å; F61-R343 PolarHBondContact O-NH1 3.16Å; F61-R343 PolarHBondContact O-NH2 3.43Å; A339-R343 PolarHBondContact O-N 2.69Å; A340-R343 WeakPolarHBondContact O-CB 2.91Å; A340-R343 PolarHBondContact O-N 3.42Å; A340-R343 VanDerWaalsContact O-N 3.1Å; T341-R343 VanDerWaalsContact C-N 3.3Å; T341-R343 PolarHBondContact O-N 3.09Å; R343-L345 PolarHBondContact O-N 3.19Å; R343-N346 PolarHBondContact O-N 3.21Å; R343-V347 WeakPolarHBondContact O-CG2 3.13Å; R343-V347 PolarHBondContact O-N 2.95Å
344	V	94.8	Very high	91	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-49	179.4	169.1	0	0	0	0	111	L87 I90 A340 T341 N346 V347 L348 F372	L87-V344 HydrophobicContact CB-CG1 4.19Å; L87-V344 HydrophobicContact CB-CG2 4.45Å; L87-V344 HydrophobicContact CD2-CG2 4.12Å; L87-V344 WeakPolarHBondContact O-CG2 3.44Å; I90-V344 HydrophobicContact CB-CG2 4.12Å; I90-V344 HydrophobicContact CG2-CG2 3.69Å; A340-V344 WeakPolarHBondContact O-CG2 3.34Å; A340-V344 PolarHBondContact O-N 3.09Å; T341-V344 PolarHBondContact O-N 2.82Å; V344-N346 VanDerWaalsContact C-N 3.31Å; V344-N346 PolarHBondContact O-N 3.04Å; V344-V347 PolarHBondContact O-N 2.96Å; V344-L348 HydrophobicContact CG1-CD1 3.99Å; V344-L348 WeakPolarHBondContact O-CG 3.35Å; V344-L348 PolarHBondContact O-N 3.41Å; V344-F372 HydrophobicContact CG1-CE1 3.85Å; V344-F372 HydrophobicContact CG1-CZ 4.11Å
345	L	94.6	Very high	91.4	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-33	178.7	-66.5	173.6	0	0	0	112.8	T341 R343 R349 L373 E386 A389 A390 I393	T341-L345 HydrophobicContact CG2-CD1 3.92Å; T341-L345 WeakPolarHBondContact O-CG 3.23Å; T341-L345 PolarHBondContact O-N 2.74Å; R343-L345 PolarHBondContact O-N 3.19Å; L345-R349 WeakPolarHBondContact O-CB 3.35Å; L345-R349 PolarHBondContact O-N 3.4Å; L345-L373 HydrophobicContact CD2-CD2 3.69Å; L345-E386 HydrophobicContact CD1-CB 4.05Å; L345-A389 HydrophobicContact CD1-CB 4.3Å; L345-A390 HydrophobicContact CD2-CB 3.93Å; L345-I393 HydrophobicContact CD2-CD1 4.19Å; L345-I393 WeakPolarHBondContact O-CD1 3.34Å
346	N	92.8	Very high	91.6	Very high	79 Å²	79	28.8 Å²	28.8	42%	0.422	15%	0.145	S	C	.	.	H	α-helix	trans	-70.9	-39.9	174.5	-78.6	-38.8	0	0	0	112.8	N342 R343 V344 H350	N342-N346 VanDerWaalsContact O-CB 3.27Å; N342-N346 WeakPolarHBondContact O-CB 3.26Å; N342-N346 PolarHBondContact O-N 2.89Å; N342-N346 PolarHBondContact O-ND2 3.32Å; R343-N346 PolarHBondContact O-N 3.21Å; V344-N346 VanDerWaalsContact C-N 3.31Å; V344-N346 PolarHBondContact O-N 3.04Å; N346-H350 PolarHBondContact O-N 3Å
347	V	94.9	Very high	91.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-65.7	-48.4	175.3	173.7	0	0	0	0	110.3	L56 L67 L87 R343 V344 R349 H350 W351	L56-V347 HydrophobicContact CD1-CG1 4.15Å; L56-V347 HydrophobicContact CD1-CG2 4.48Å; L56-V347 HydrophobicContact CD2-CG1 4.36Å; L56-V347 HydrophobicContact CG-CG1 4.29Å; L67-V347 HydrophobicContact CD1-CG1 4.26Å; L67-V347 HydrophobicContact CD1-CG2 4.44Å; L87-V347 HydrophobicContact CD1-CG1 3.9Å; L87-V347 HydrophobicContact CD2-CB 4.04Å; L87-V347 HydrophobicContact CD2-CG1 4Å; L87-V347 HydrophobicContact CD2-CG2 4.45Å; R343-V347 WeakPolarHBondContact O-CG2 3.13Å; R343-V347 PolarHBondContact O-N 2.95Å; V344-V347 PolarHBondContact O-N 2.96Å; V347-R349 PolarHBondContact O-N 3.43Å; V347-H350 PolarHBondContact O-N 3.1Å; V347-W351 WeakPolarHBondContact O-CB 3.4Å; V347-W351 PolarHBondContact O-N 2.76Å
348	L	96.5	Very high	91.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-42.7	177	-71.1	175.9	0	0	0	112.2	L84 L87 V344 H350 W351 V352 V369 F372 L373 I393	L84-L348 HydrophobicContact CD1-CD2 4.33Å; L87-L348 HydrophobicContact CD1-CD2 3.91Å; L87-L348 HydrophobicContact CD1-CG 4.26Å; V344-L348 HydrophobicContact CG1-CD1 3.99Å; V344-L348 WeakPolarHBondContact O-CG 3.35Å; V344-L348 PolarHBondContact O-N 3.41Å; L348-H350 VanDerWaalsContact C-N 3.33Å; L348-H350 PolarHBondContact O-N 2.87Å; L348-W351 HydrophobicContact CD2-CE3 4.2Å; L348-W351 PolarHBondContact O-N 3.34Å; L348-V352 WeakPolarHBondContact O-CB 3.41Å; L348-V352 WeakPolarHBondContact O-CG2 3.34Å; L348-V352 PolarHBondContact O-N 2.79Å; L348-V369 HydrophobicContact CD2-CG1 4.31Å; L348-V369 HydrophobicContact CD2-CG2 4.48Å; L348-F372 HydrophobicContact CD1-CD1 3.97Å; L348-F372 HydrophobicContact CD1-CE1 3.78Å; L348-L373 HydrophobicContact CD1-CD2 4.02Å; L348-I393 HydrophobicContact CB-CD1 4.27Å
349	R	95.1	Very high	91.9	Very high	100 Å²	100	26.2 Å²	26.2	38%	0.377	14%	0.136	S	C	.	.	H	α-helix	trans	-56.6	-45.1	173.5	168.2	173	-78.1	-83.8	-4.3	112	L345 V347 S353 I393	L345-R349 WeakPolarHBondContact O-CB 3.35Å; L345-R349 PolarHBondContact O-N 3.4Å; V347-R349 PolarHBondContact O-N 3.43Å; R349-S353 VanDerWaalsContact O-CB 3.31Å; R349-S353 WeakPolarHBondContact O-CB 3.43Å; R349-S353 PolarHBondContact O-N 3.34Å; R349-S353 PolarHBondContact O-OG 2.96Å; R349-I393 HydrophobicContact CB-CD1 3.96Å; R349-I393 HydrophobicContact CB-CG1 4.03Å
350	H	93.8	Very high	91.8	Very high	32 Å²	32	30.4 Å²	30.4	15%	0.148	15%	0.151	C	C	.	.	H	α-helix	trans	-69.7	-42.8	179.9	-170.3	102.9	0	0	0	111.5	L67 N68 N346 V347 L348 K354	L67-H350 HydrophobicContact CD2-CB 3.7Å; L67-H350 VanDerWaalsContact CD2-CG 3.49Å; L67-H350 HydrophobicContact CG-CB 4.48Å; N68-H350 PolarHBondContact OD1-CE1 2.98Å; N68-H350 VanDerWaalsContact OD1-CE1 3.31Å; N68-H350 PolarHBondContact OD1-NE2 3.04Å; N346-H350 PolarHBondContact O-N 3Å; V347-H350 PolarHBondContact O-N 3.1Å; L348-H350 VanDerWaalsContact C-N 3.33Å; L348-H350 PolarHBondContact O-N 2.87Å; H350-K354 WeakPolarHBondContact O-CB 3.22Å; H350-K354 PolarHBondContact O-N 3.38Å
351	W	95.1	Very high	91.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-57.5	175.8	-161.7	-10.9	0	0	0	110.3	L71 Y74 A80 V83 L87 V347 L348 S353 H355 D358 F359 L365	L71-W351 HydrophobicContact CD1-CB 4.11Å; L71-W351 HydrophobicContact CD1-CG 4.35Å; L71-W351 HydrophobicContact CD2-CB 4.3Å; L71-W351 HydrophobicContact CD2-CD2 3.79Å; L71-W351 HydrophobicContact CD2-CE3 4.36Å; L71-W351 HydrophobicContact CD2-CG 3.76Å; Y74-W351 HydrophobicContact CE1-CZ2 4.05Å; A80-W351 HydrophobicContact CB-CH2 4.13Å; A80-W351 HydrophobicContact CB-CZ2 4.02Å; V83-W351 HydrophobicContact CB-CH2 3.84Å; V83-W351 HydrophobicContact CB-CZ3 4.02Å; V83-W351 HydrophobicContact CG1-CE3 4.24Å; V83-W351 HydrophobicContact CG1-CH2 3.79Å; V83-W351 HydrophobicContact CG1-CZ3 3.51Å; L87-W351 HydrophobicContact CD1-CE3 4.4Å; L87-W351 HydrophobicContact CD1-CZ3 4.29Å; V347-W351 WeakPolarHBondContact O-CB 3.4Å; V347-W351 PolarHBondContact O-N 2.76Å; L348-W351 HydrophobicContact CD2-CE3 4.2Å; L348-W351 PolarHBondContact O-N 3.34Å; W351-S353 PolarHBondContact O-N 3.18Å; W351-H355 CarbonylContact O-C 3.46Å; W351-H355 VanDerWaalsContact O-CA 3.32Å; W351-H355 WeakPolarHBondContact O-CA 3.37Å; W351-H355 WeakPolarHBondContact O-CB 3.47Å; W351-H355 PolarHBondContact O-N 3.17Å; W351-D358 PolarHBondContact NE1-OD2 2.84Å; W351-F359 HydrophobicContact CB-CE2 4.45Å; W351-F359 HydrophobicContact CB-CZ 4.33Å; W351-F359 AromaticContact CD1-CE2 3.51Å; W351-F359 AromaticContact CD1-CZ 3.59Å; W351-F359 HydrophobicContact CD2-CE2 4.46Å; W351-F359 AromaticContact CD2-CZ 3.77Å; W351-F359 HydrophobicContact CD2-CZ 3.77Å; W351-F359 AromaticContact CE2-CZ 3.83Å; W351-F359 HydrophobicContact CE3-CZ 4.43Å; W351-F359 AromaticContact CG-CE2 3.93Å; W351-F359 HydrophobicContact CG-CE2 3.93Å; W351-F359 AromaticContact CG-CZ 3.67Å; W351-F359 HydrophobicContact CG-CZ 3.67Å; W351-F359 AromaticContact NE1-CE2 3.92Å; W351-F359 AromaticContact NE1-CZ 3.75Å; W351-L365 HydrophobicContact CZ2-CD2 4.25Å
352	V	93.8	Very high	91.2	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-44.2	-179.6	171.7	0	0	0	0	112.8	L348 S356 F359 I393 T396 L397	L348-V352 WeakPolarHBondContact O-CB 3.41Å; L348-V352 WeakPolarHBondContact O-CG2 3.34Å; L348-V352 PolarHBondContact O-N 2.79Å; V352-S356 WeakPolarHBondContact O-CB 3.44Å; V352-F359 HydrophobicContact CB-CE2 4.36Å; V352-F359 HydrophobicContact CG2-CD2 4.26Å; V352-F359 HydrophobicContact CG2-CE2 3.79Å; V352-F359 HydrophobicContact CG2-CZ 3.93Å; V352-I393 HydrophobicContact CB-CG2 4.14Å; V352-I393 HydrophobicContact CG1-CG2 4.3Å; V352-I393 HydrophobicContact CG2-CG2 3.78Å; V352-T396 HydrophobicContact CG1-CG2 3.69Å; V352-L397 HydrophobicContact CB-CD2 4.46Å; V352-L397 HydrophobicContact CG1-CD2 3.8Å; V352-L397 HydrophobicContact CG1-CG 3.8Å; V352-L397 HydrophobicContact CG2-CD1 4.05Å; V352-L397 HydrophobicContact CG2-CD2 3.88Å; V352-L397 HydrophobicContact CG2-CG 4Å
353	S	90.3	Very high	91.3	Very high	52 Å²	52	40.5 Å²	40.5	36%	0.364	21%	0.208	S	C	.	.	H	α-helix	trans	-90.6	-2.6	-173.7	67.7	0	0	0	0	116	R349 W351	R349-S353 VanDerWaalsContact O-CB 3.31Å; R349-S353 WeakPolarHBondContact O-CB 3.43Å; R349-S353 PolarHBondContact O-N 3.34Å; R349-S353 PolarHBondContact O-OG 2.96Å; W351-S353 PolarHBondContact O-N 3.18Å
354	K	88.9	Confident	91.5	Very high	97 Å²	97	46.1 Å²	46.1	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-131.8	-7.2	176.4	-63.6	-67.6	151.9	-149.9	0	114.7	H350 R620	H350-K354 WeakPolarHBondContact O-CB 3.22Å; H350-K354 PolarHBondContact O-N 3.38Å; K354-R620 VanDerWaalsContact O-CZ 3.24Å; K354-R620 PolarHBondContact O-NH1 3.43Å; K354-R620 PolarHBondContact O-NH2 3.39Å
355	H	90	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.			trans	-142	49.5	178.6	-57.7	-109.2	0	0	0	108.9	L71 H72 W351 Q357 D358 Y450	L71-H355 VanDerWaalsContact CB-CE1 3.41Å; L71-H355 WeakPolarHBondContact CB-CE1 3.34Å; L71-H355 WeakPolarHBondContact CB-NE2 3.4Å; H72-H355 AromaticContact CD2-CE1 3.41Å; H72-H355 PolarHBondContact CD2-CE1 2.89Å; H72-H355 VanDerWaalsContact CD2-CE1 3.41Å; H72-H355 AromaticContact CD2-ND1 3.73Å; H72-H355 AromaticContact CE1-CE1 3.66Å; H72-H355 AromaticContact CG-CE1 3.67Å; H72-H355 AromaticContact ND1-CE1 3.83Å; H72-H355 AromaticContact NE2-CE1 3.41Å; H72-H355 PolarHBondContact NE2-CE1 2.59Å; H72-H355 AromaticContact NE2-ND1 3.95Å; W351-H355 CarbonylContact O-C 3.46Å; W351-H355 VanDerWaalsContact O-CA 3.32Å; W351-H355 WeakPolarHBondContact O-CA 3.37Å; W351-H355 WeakPolarHBondContact O-CB 3.47Å; W351-H355 PolarHBondContact O-N 3.17Å; H355-Q357 VanDerWaalsContact C-N 3.28Å; H355-Q357 PolarHBondContact O-N 2.83Å; H355-D358 WeakPolarHBondContact O-CB 3.19Å; H355-D358 PolarHBondContact O-N 2.92Å; H355-Y450 AromaticContact ND1-CZ 3.63Å; H355-Y450 PolarHBondContact ND1-OH 3.4Å
356	S	88.4	Confident	91.6	Very high	49 Å²	49	49 Å²	49	34%	0.343	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.9	-173.5	59.7	0	0	0	0	113.3	V352 D358 F359 E360	V352-S356 WeakPolarHBondContact O-CB 3.44Å; S356-D358 PolarHBondContact O-N 2.66Å; S356-F359 WeakPolarHBondContact O-CA 3.46Å; S356-F359 PolarHBondContact O-N 3.38Å; S356-E360 VanDerWaalsContact C-CD 3.48Å; S356-E360 WeakPolarHBondContact CB-OE1 3.44Å; S356-E360 PolarHBondContact O-N 2.88Å; S356-E360 PolarHBondContact OG-OE1 3.13Å
357	Q	86.4	Confident	91.8	Very high	27 Å²	27	50.7 Å²	50.7	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-46.3	-34.9	172.1	-72.5	174.4	-30	0	0	113.6	H355 F359 E360 L361 Y450	H355-Q357 VanDerWaalsContact C-N 3.28Å; H355-Q357 PolarHBondContact O-N 2.83Å; Q357-F359 PolarHBondContact O-N 2.71Å; Q357-E360 VanDerWaalsContact CA-OE2 3.29Å; Q357-E360 WeakPolarHBondContact CA-OE2 3.35Å; Q357-E360 WeakPolarHBondContact CG-OE2 3.37Å; Q357-E360 PolarHBondContact N-OE1 2.86Å; Q357-E360 PolarHBondContact O-N 2.96Å; Q357-L361 WeakPolarHBondContact O-CB 3.49Å; Q357-L361 WeakPolarHBondContact O-CG 3.25Å; Q357-L361 PolarHBondContact O-N 3.34Å; Q357-Y450 VanDerWaalsContact OE1-CD1 3.28Å
358	D	90.2	Very high	91.9	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-26.6	177.1	-62	20.2	0	0	0	112.9	Y74 R75 W351 H355 S356 N362 L365 Y450	Y74-D358 PolarHBondContact OH-OD2 3.05Å; R75-D358 IonicContact CZ-OD1 2.84Å; R75-D358 IonicContact CZ-OD2 2.9Å; R75-D358 VanDerWaalsContact NH1-CG 3.27Å; R75-D358 IonicContact NH1-OD1 3.82Å; R75-D358 PolarHBondContact NH1-OD1 3.34Å; R75-D358 IonicContact NH1-OD2 3.49Å; R75-D358 PolarHBondContact NH1-OD2 3.47Å; R75-D358 IonicContact NH2-OD1 3.75Å; R75-D358 PolarHBondContact NH2-OD1 3.38Å; R75-D358 IonicContact NH2-OD2 3.79Å; W351-D358 PolarHBondContact NE1-OD2 2.84Å; H355-D358 WeakPolarHBondContact O-CB 3.19Å; H355-D358 PolarHBondContact O-N 2.92Å; S356-D358 PolarHBondContact O-N 2.66Å; D358-N362 WeakPolarHBondContact O-CB 3.33Å; D358-L365 HydrophobicContact CB-CD2 4.45Å; D358-Y450 VanDerWaalsContact CG-OH 3.31Å; D358-Y450 PolarHBondContact OD1-OH 2.88Å; D358-Y450 PolarHBondContact OD2-OH 3.02Å
359	F	91.8	Very high	91.9	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.022	27%	0.268	C	S	.	.	H	α-helix	trans	-106.5	-20.2	-178.7	-51	-77.6	0	0	0	112.6	W351 V352 S356 Q357 L365 K366 V369 L397	W351-F359 HydrophobicContact CB-CE2 4.45Å; W351-F359 HydrophobicContact CB-CZ 4.33Å; W351-F359 AromaticContact CD1-CE2 3.51Å; W351-F359 AromaticContact CD1-CZ 3.59Å; W351-F359 HydrophobicContact CD2-CE2 4.46Å; W351-F359 AromaticContact CD2-CZ 3.77Å; W351-F359 HydrophobicContact CD2-CZ 3.77Å; W351-F359 AromaticContact CE2-CZ 3.83Å; W351-F359 HydrophobicContact CE3-CZ 4.43Å; W351-F359 AromaticContact CG-CE2 3.93Å; W351-F359 HydrophobicContact CG-CE2 3.93Å; W351-F359 AromaticContact CG-CZ 3.67Å; W351-F359 HydrophobicContact CG-CZ 3.67Å; W351-F359 AromaticContact NE1-CE2 3.92Å; W351-F359 AromaticContact NE1-CZ 3.75Å; V352-F359 HydrophobicContact CB-CE2 4.36Å; V352-F359 HydrophobicContact CG2-CD2 4.26Å; V352-F359 HydrophobicContact CG2-CE2 3.79Å; V352-F359 HydrophobicContact CG2-CZ 3.93Å; S356-F359 WeakPolarHBondContact O-CA 3.46Å; S356-F359 PolarHBondContact O-N 3.38Å; Q357-F359 PolarHBondContact O-N 2.71Å; F359-L365 HydrophobicContact CD1-CD2 3.91Å; F359-L365 HydrophobicContact CD1-CG 3.96Å; F359-L365 HydrophobicContact CE1-CD2 3.71Å; F359-L365 HydrophobicContact CE1-CG 3.81Å; F359-L365 HydrophobicContact CZ-CD2 4.47Å; F359-K366 HydrophobicContact CB-CB 4.1Å; F359-K366 HydrophobicContact CB-CD 4.49Å; F359-K366 HydrophobicContact CB-CG 4.45Å; F359-K366 WeakPolarHBondContact O-CD 2.95Å; F359-V369 HydrophobicContact CE1-CG2 3.88Å; F359-L397 HydrophobicContact CB-CD2 3.78Å; F359-L397 HydrophobicContact CD1-CD2 4.13Å; F359-L397 HydrophobicContact CD2-CD2 4.14Å; F359-L397 HydrophobicContact CG-CD2 3.73Å
360	E	86.3	Confident	92	Very high	113 Å²	113	50.2 Å²	50.2	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-71	-48.9	170	-66.8	150	-149.7	0	0	110.1	S356 Q357	S356-E360 VanDerWaalsContact C-CD 3.48Å; S356-E360 WeakPolarHBondContact CB-OE1 3.44Å; S356-E360 PolarHBondContact O-N 2.88Å; S356-E360 PolarHBondContact OG-OE1 3.13Å; Q357-E360 VanDerWaalsContact CA-OE2 3.29Å; Q357-E360 WeakPolarHBondContact CA-OE2 3.35Å; Q357-E360 WeakPolarHBondContact CG-OE2 3.37Å; Q357-E360 PolarHBondContact N-OE1 2.86Å; Q357-E360 PolarHBondContact O-N 2.96Å
361	L	81.4	Confident	92.2	Very high	106 Å²	106	50.1 Å²	50.1	56%	0.555	26%	0.261	S	S	*	.	S	Bend	trans	-79.2	-22.1	-179	-61.2	175.3	0	0	0	113.4	Q357 P449 E451	Q357-L361 WeakPolarHBondContact O-CB 3.49Å; Q357-L361 WeakPolarHBondContact O-CG 3.25Å; Q357-L361 PolarHBondContact O-N 3.34Å; L361-P449 HydrophobicContact CD1-CB 4.4Å; L361-E451 WeakPolarHBondContact CD1-OE2 3.28Å
362	N	89.2	Confident	92.3	Very high	59 Å²	59	50.4 Å²	50.4	32%	0.316	26%	0.262	S	S	.	.			trans	-124.1	93.5	179	-170.5	-21.1	0	0	0	112	D358 E364 L365 K366	D358-N362 WeakPolarHBondContact O-CB 3.33Å; N362-E364 VanDerWaalsContact C-N 3.31Å; N362-E364 PolarHBondContact O-N 3.13Å; N362-E364 WeakPolarHBondContact OD1-CB 3.34Å; N362-E364 PolarHBondContact OD1-N 2.84Å; N362-L365 HydrophobicContact CB-CB 4Å; N362-L365 PolarHBondContact O-N 2.7Å; N362-L365 PolarHBondContact OD1-N 2.7Å; N362-K366 WeakPolarHBondContact O-CB 3.37Å; N362-K366 PolarHBondContact O-N 3.01Å
363	T	92.3	Very high	92.5	Very high	96 Å²	96	50.2 Å²	50.2	59%	0.589	26%	0.261	S	S	*	.	H	α-helix	trans	-65.2	-30.7	176.8	-66.2	0	0	0	0	112.8	K366 M367	T363-K366 PolarHBondContact O-N 2.91Å; T363-M367 HydrophobicContact CG2-CG 4.37Å; T363-M367 WeakPolarHBondContact O-CG 3.35Å; T363-M367 PolarHBondContact O-N 3.22Å
364	E	95.1	Very high	92.8	Very high	138 Å²	138	52.4 Å²	52.4	65%	0.645	27%	0.265	S	S	*	.	H	α-helix	trans	-66	-50.4	176.1	-175.6	175.7	179	0	0	110.6	N362 K366 M367 R368	N362-E364 VanDerWaalsContact C-N 3.31Å; N362-E364 PolarHBondContact O-N 3.13Å; N362-E364 WeakPolarHBondContact OD1-CB 3.34Å; N362-E364 PolarHBondContact OD1-N 2.84Å; E364-K366 VanDerWaalsContact C-N 3.3Å; E364-K366 PolarHBondContact O-N 3.47Å; E364-M367 PolarHBondContact O-N 3.05Å; E364-M367 VanDerWaalsContact O-N 3.13Å; E364-R368 HydrophobicContact CG-CG 4.36Å; E364-R368 WeakPolarHBondContact O-CG 3.38Å; E364-R368 PolarHBondContact O-N 2.86Å
365	L	95.5	Very high	93.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-44.9	175	-179.1	68.7	0	0	0	111.5	A80 L84 W351 D358 F359 N362 M367 R368 V369	A80-L365 HydrophobicContact CB-CD1 3.7Å; A80-L365 HydrophobicContact CB-CD2 3.57Å; A80-L365 HydrophobicContact CB-CG 4.23Å; L84-L365 HydrophobicContact CD2-CD1 4.04Å; W351-L365 HydrophobicContact CZ2-CD2 4.25Å; D358-L365 HydrophobicContact CB-CD2 4.45Å; F359-L365 HydrophobicContact CD1-CD2 3.91Å; F359-L365 HydrophobicContact CD1-CG 3.96Å; F359-L365 HydrophobicContact CE1-CD2 3.71Å; F359-L365 HydrophobicContact CE1-CG 3.81Å; F359-L365 HydrophobicContact CZ-CD2 4.47Å; N362-L365 HydrophobicContact CB-CB 4Å; N362-L365 PolarHBondContact O-N 2.7Å; N362-L365 PolarHBondContact OD1-N 2.7Å; L365-M367 PolarHBondContact O-N 3.45Å; L365-R368 PolarHBondContact O-N 2.97Å; L365-V369 WeakPolarHBondContact O-CG2 3.24Å; L365-V369 PolarHBondContact O-N 2.94Å
366	K	95.8	Very high	93.3	Very high	65 Å²	65	52.5 Å²	52.5	28%	0.283	27%	0.268	S	S	.	.	H	α-helix	trans	-55.1	-49.3	175.1	177.6	168	177	165.2	0	111.8	F359 N362 T363 E364 V369 I370 L397	F359-K366 HydrophobicContact CB-CB 4.1Å; F359-K366 HydrophobicContact CB-CD 4.49Å; F359-K366 HydrophobicContact CB-CG 4.45Å; F359-K366 WeakPolarHBondContact O-CD 2.95Å; N362-K366 WeakPolarHBondContact O-CB 3.37Å; N362-K366 PolarHBondContact O-N 3.01Å; T363-K366 PolarHBondContact O-N 2.91Å; E364-K366 VanDerWaalsContact C-N 3.3Å; E364-K366 PolarHBondContact O-N 3.47Å; K366-V369 PolarHBondContact O-N 3.02Å; K366-I370 HydrophobicContact CG-CD1 4.08Å; K366-I370 WeakPolarHBondContact O-CG1 3.15Å; K366-I370 PolarHBondContact O-N 3.5Å; K366-L397 WeakPolarHBondContact CE-O 3.33Å; K366-L397 HydrophobicContact CG-CD2 4.41Å; K366-L397 PolarHBondContact NZ-O 3.47Å
367	M	96.5	Very high	93.6	Very high	115 Å²	115	52.9 Å²	52.9	57%	0.567	27%	0.265	S	S	*	.	H	α-helix	trans	-68.6	-38.4	178.3	-68.3	-55.9	-63.9	0	0	112.8	T363 E364 L365 V369 I370 G371	T363-M367 HydrophobicContact CG2-CG 4.37Å; T363-M367 WeakPolarHBondContact O-CG 3.35Å; T363-M367 PolarHBondContact O-N 3.22Å; E364-M367 PolarHBondContact O-N 3.05Å; E364-M367 VanDerWaalsContact O-N 3.13Å; L365-M367 PolarHBondContact O-N 3.45Å; M367-V369 VanDerWaalsContact C-N 3.33Å; M367-V369 PolarHBondContact O-N 3.41Å; M367-I370 PolarHBondContact O-N 3.39Å; M367-I370 HydrophobicContact SD-CD1 4.26Å; M367-G371 PolarHBondContact O-N 3.13Å
368	R	97.6	Very high	93.8	Very high	79 Å²	79	59.1 Å²	59.1	30%	0.298	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-40.3	174	-68.5	-171	75	-149.8	-4.9	111.7	D81 L84 D85 E364 L365 F372	D81-R368 IonicContact OD1-CZ 3.65Å; D81-R368 IonicContact OD1-NH1 3.09Å; D81-R368 PolarHBondContact OD1-NH1 3.39Å; L84-R368 HydrophobicContact CD2-CB 3.7Å; D85-R368 IonicContact OD1-CZ 2.9Å; D85-R368 IonicContact OD1-NH1 3.45Å; D85-R368 IonicContact OD1-NH2 3.57Å; D85-R368 PolarHBondContact OD1-NH2 3.33Å; D85-R368 IonicContact OD2-NH1 2.8Å; D85-R368 IonicContact OD2-NH2 3.17Å; E364-R368 HydrophobicContact CG-CG 4.36Å; E364-R368 WeakPolarHBondContact O-CG 3.38Å; E364-R368 PolarHBondContact O-N 2.86Å; L365-R368 PolarHBondContact O-N 2.97Å; R368-F372 WeakPolarHBondContact O-CB 3.3Å; R368-F372 PolarHBondContact O-N 3.32Å; R368-F372 VanDerWaalsContact O-N 3.11Å
369	V	97.3	Very high	93.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.5	-41.5	176	174.6	0	0	0	0	112.1	L84 L348 F359 L365 K366 M367 F372 L373 L397	L84-V369 HydrophobicContact CD1-CG2 3.87Å; L84-V369 HydrophobicContact CD2-CG2 3.76Å; L84-V369 HydrophobicContact CG-CG2 4.44Å; L348-V369 HydrophobicContact CD2-CG1 4.31Å; L348-V369 HydrophobicContact CD2-CG2 4.48Å; F359-V369 HydrophobicContact CE1-CG2 3.88Å; L365-V369 WeakPolarHBondContact O-CG2 3.24Å; L365-V369 PolarHBondContact O-N 2.94Å; K366-V369 PolarHBondContact O-N 3.02Å; M367-V369 VanDerWaalsContact C-N 3.33Å; M367-V369 PolarHBondContact O-N 3.41Å; V369-F372 PolarHBondContact O-N 3.23Å; V369-L373 HydrophobicContact CG1-CD1 3.75Å; V369-L373 HydrophobicContact CG1-CG 4.34Å; V369-L373 WeakPolarHBondContact O-CB 3.22Å; V369-L373 VanDerWaalsContact O-CG 3.27Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.41Å; V369-L397 HydrophobicContact CB-CD1 4.18Å; V369-L397 HydrophobicContact CG1-CD1 3.64Å
370	I	96.8	Very high	93.6	Very high	13 Å²	13	66.3 Å²	66.3	7%	0.067	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-53.9	176	-69.6	166.2	0	0	0	110.2	K366 M367 F372 L373 E374 I394 L397 T398	K366-I370 HydrophobicContact CG-CD1 4.08Å; K366-I370 WeakPolarHBondContact O-CG1 3.15Å; K366-I370 PolarHBondContact O-N 3.5Å; M367-I370 PolarHBondContact O-N 3.39Å; M367-I370 HydrophobicContact SD-CD1 4.26Å; I370-F372 VanDerWaalsContact C-N 3.3Å; I370-F372 PolarHBondContact O-N 2.86Å; I370-L373 PolarHBondContact O-N 3.38Å; I370-E374 HydrophobicContact CG2-CG 4.39Å; I370-E374 WeakPolarHBondContact O-CG 3.43Å; I370-E374 PolarHBondContact O-N 2.72Å; I370-I394 HydrophobicContact CG2-CG2 4.43Å; I370-L397 HydrophobicContact CD1-CB 4.13Å; I370-L397 HydrophobicContact CG1-CB 4.1Å; I370-L397 HydrophobicContact CG1-CD1 3.89Å; I370-T398 HydrophobicContact CD1-CG2 4.09Å
371	G	97.3	Very high	93.7	Very high	30 Å²	30	65.1 Å²	65.1	31%	0.309	33%	0.333	S	S	.	.	H	α-helix	trans	-59.9	-37	-179.7	0	0	0	0	0	113.2	M367 E374 E375	M367-G371 PolarHBondContact O-N 3.13Å; G371-E374 PolarHBondContact O-N 3.4Å; G371-E375 PolarHBondContact O-N 3.12Å
372	F	97.9	Very high	94.1	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-65	-42.9	171.9	171.4	-120.9	0	0	0	112.8	L84 I88 Y91 V344 L348 R368 V369 I370 E374 E375 V376	L84-F372 HydrophobicContact CD1-CD1 4.47Å; I88-F372 HydrophobicContact CB-CD2 4.46Å; I88-F372 HydrophobicContact CB-CE2 4.3Å; I88-F372 HydrophobicContact CD1-CB 4.26Å; I88-F372 HydrophobicContact CD1-CD2 4.27Å; I88-F372 HydrophobicContact CD1-CG 4.13Å; I88-F372 HydrophobicContact CG1-CB 4.39Å; I88-F372 HydrophobicContact CG1-CD1 3.97Å; I88-F372 HydrophobicContact CG1-CD2 3.69Å; I88-F372 HydrophobicContact CG1-CE1 4.16Å; I88-F372 HydrophobicContact CG1-CE2 3.9Å; I88-F372 HydrophobicContact CG1-CG 3.72Å; I88-F372 HydrophobicContact CG1-CZ 4.13Å; I88-F372 HydrophobicContact CG2-CD2 4.31Å; I88-F372 HydrophobicContact CG2-CE2 4.24Å; Y91-F372 AromaticContact CD1-CE2 3.7Å; Y91-F372 HydrophobicContact CD1-CE2 3.7Å; Y91-F372 AromaticContact CD1-CZ 3.96Å; Y91-F372 HydrophobicContact CD1-CZ 3.96Å; Y91-F372 HydrophobicContact CE1-CE2 4.43Å; Y91-F372 HydrophobicContact CG-CE2 4.12Å; Y91-F372 AromaticContact CG-CZ 3.89Å; Y91-F372 HydrophobicContact CG-CZ 3.89Å; V344-F372 HydrophobicContact CG1-CE1 3.85Å; V344-F372 HydrophobicContact CG1-CZ 4.11Å; L348-F372 HydrophobicContact CD1-CD1 3.97Å; L348-F372 HydrophobicContact CD1-CE1 3.78Å; R368-F372 WeakPolarHBondContact O-CB 3.3Å; R368-F372 PolarHBondContact O-N 3.32Å; R368-F372 VanDerWaalsContact O-N 3.11Å; V369-F372 PolarHBondContact O-N 3.23Å; I370-F372 VanDerWaalsContact C-N 3.3Å; I370-F372 PolarHBondContact O-N 2.86Å; F372-E374 VanDerWaalsContact C-N 3.27Å; F372-E374 PolarHBondContact O-N 3.04Å; F372-E375 WeakPolarHBondContact O-CB 3.43Å; F372-E375 PolarHBondContact O-N 2.74Å; F372-V376 HydrophobicContact CD2-CG2 4.14Å; F372-V376 HydrophobicContact CE1-CG2 4.09Å; F372-V376 HydrophobicContact CE2-CG2 3.6Å; F372-V376 HydrophobicContact CZ-CG2 3.57Å; F372-V376 VanDerWaalsContact O-CG2 3.31Å; F372-V376 WeakPolarHBondContact O-CG2 3.17Å; F372-V376 PolarHBondContact O-N 2.86Å
373	L	97.5	Very high	94.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.2	-29.3	177.6	-69.6	167.5	0	0	0	112.1	L345 L348 V369 I370 M377 A390 I393 I394	L345-L373 HydrophobicContact CD2-CD2 3.69Å; L348-L373 HydrophobicContact CD1-CD2 4.02Å; V369-L373 HydrophobicContact CG1-CD1 3.75Å; V369-L373 HydrophobicContact CG1-CG 4.34Å; V369-L373 WeakPolarHBondContact O-CB 3.22Å; V369-L373 VanDerWaalsContact O-CG 3.27Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.41Å; I370-L373 PolarHBondContact O-N 3.38Å; L373-M377 WeakPolarHBondContact O-CB 3.48Å; L373-M377 WeakPolarHBondContact O-CG 3.5Å; L373-M377 PolarHBondContact O-N 3.24Å; L373-A390 HydrophobicContact CD2-CB 4.12Å; L373-I393 HydrophobicContact CD1-CB 3.8Å; L373-I393 HydrophobicContact CD1-CG2 3.49Å; L373-I393 VanDerWaalsContact CD1-CG2 3.49Å; L373-I393 HydrophobicContact CD2-CD1 4.39Å; L373-I394 HydrophobicContact CB-CD1 3.72Å; L373-I394 HydrophobicContact CB-CG1 3.54Å; L373-I394 HydrophobicContact CD1-CG1 3.92Å; L373-I394 HydrophobicContact CG-CG1 4.39Å
374	E	96	Very high	94	Very high	98 Å²	98	63 Å²	63	46%	0.458	32%	0.323	S	S	.	.	H	α-helix	trans	-68.2	-45.6	169.9	-69.9	178.6	157.9	0	0	111.6	I370 G371 F372 V376 M377 H378 I394	I370-E374 HydrophobicContact CG2-CG 4.39Å; I370-E374 WeakPolarHBondContact O-CG 3.43Å; I370-E374 PolarHBondContact O-N 2.72Å; G371-E374 PolarHBondContact O-N 3.4Å; F372-E374 VanDerWaalsContact C-N 3.27Å; F372-E374 PolarHBondContact O-N 3.04Å; E374-V376 VanDerWaalsContact C-N 3.32Å; E374-V376 PolarHBondContact O-N 3.33Å; E374-M377 PolarHBondContact O-N 3.13Å; E374-M377 VanDerWaalsContact O-N 3.13Å; E374-H378 PolarHBondContact O-N 3.3Å; E374-H378 VanDerWaalsContact O-N 3.13Å; E374-H378 PolarHBondContact O-ND1 2.81Å; E374-I394 HydrophobicContact CG-CD1 3.89Å
375	E	95.4	Very high	93.6	Very high	99 Å²	99	61.2 Å²	61.2	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-54.7	-47.2	170.4	-74.7	-174.9	163.1	0	0	111.4	K92 G371 F372 M377 H378	K92-E375 WeakPolarHBondContact CE-OE2 3.11Å; K92-E375 VanDerWaalsContact NZ-CD 3.28Å; K92-E375 IonicContact NZ-OE1 2.69Å; K92-E375 PolarHBondContact NZ-OE1 3.5Å; K92-E375 VanDerWaalsContact NZ-OE1 3.08Å; K92-E375 IonicContact NZ-OE2 3.9Å; K92-E375 PolarHBondContact NZ-OE2 2.8Å; G371-E375 PolarHBondContact O-N 3.12Å; F372-E375 WeakPolarHBondContact O-CB 3.43Å; F372-E375 PolarHBondContact O-N 2.74Å; E375-M377 VanDerWaalsContact C-N 3.31Å; E375-M377 PolarHBondContact O-N 3.41Å; E375-H378 PolarHBondContact O-N 3.16Å
376	V	94.6	Very high	93.5	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-56.1	-47.6	176	171.6	0	0	0	0	109.9	Y91 F372 E374 H378 D379 L382 A390	Y91-V376 HydrophobicContact CD1-CG2 4Å; Y91-V376 HydrophobicContact CD2-CG2 4.32Å; Y91-V376 HydrophobicContact CE1-CB 4.46Å; Y91-V376 HydrophobicContact CE1-CG2 3.71Å; Y91-V376 HydrophobicContact CE2-CG1 4.11Å; Y91-V376 HydrophobicContact CE2-CG2 4.05Å; Y91-V376 HydrophobicContact CG-CG2 4.3Å; F372-V376 HydrophobicContact CD2-CG2 4.14Å; F372-V376 HydrophobicContact CE1-CG2 4.09Å; F372-V376 HydrophobicContact CE2-CG2 3.6Å; F372-V376 HydrophobicContact CZ-CG2 3.57Å; F372-V376 VanDerWaalsContact O-CG2 3.31Å; F372-V376 WeakPolarHBondContact O-CG2 3.17Å; F372-V376 PolarHBondContact O-N 2.86Å; E374-V376 VanDerWaalsContact C-N 3.32Å; E374-V376 PolarHBondContact O-N 3.33Å; V376-H378 PolarHBondContact O-N 3.3Å; V376-H378 VanDerWaalsContact O-N 3.16Å; V376-D379 WeakPolarHBondContact O-CB 3.43Å; V376-D379 PolarHBondContact O-N 3.24Å; V376-L382 HydrophobicContact CG1-CD1 3.91Å; V376-L382 HydrophobicContact CG1-CD2 3.86Å; V376-L382 WeakPolarHBondContact O-CD2 3.46Å; V376-A390 HydrophobicContact CG1-CB 4.36Å
377	M	93.9	Very high	93.4	Very high	57 Å²	57	62.1 Å²	62.1	28%	0.281	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-17.1	178.9	-78.8	179.6	52.2	0	0	114.4	L373 E374 E375 R387 A390 A391 I394	L373-M377 WeakPolarHBondContact O-CB 3.48Å; L373-M377 WeakPolarHBondContact O-CG 3.5Å; L373-M377 PolarHBondContact O-N 3.24Å; E374-M377 PolarHBondContact O-N 3.13Å; E374-M377 VanDerWaalsContact O-N 3.13Å; E375-M377 VanDerWaalsContact C-N 3.31Å; E375-M377 PolarHBondContact O-N 3.41Å; M377-R387 PolarHBondContact O-NH1 3.27Å; M377-A390 HydrophobicContact CG-CB 3.85Å; M377-A390 HydrophobicContact SD-CB 4.24Å; M377-A391 HydrophobicContact CE-CB 4.01Å; M377-A391 HydrophobicContact SD-CB 3.72Å; M377-I394 HydrophobicContact SD-CD1 3.72Å
378	H	92.2	Very high	93.2	Very high	158 Å²	158	63.8 Å²	63.8	73%	0.731	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.6	173.6	-70.4	87.2	0	0	0	114.1	E374 E375 V376 P380	E374-H378 PolarHBondContact O-N 3.3Å; E374-H378 VanDerWaalsContact O-N 3.13Å; E374-H378 PolarHBondContact O-ND1 2.81Å; E375-H378 PolarHBondContact O-N 3.16Å; V376-H378 PolarHBondContact O-N 3.3Å; V376-H378 VanDerWaalsContact O-N 3.16Å; H378-P380 WeakPolarHBondContact O-CD 3.45Å
379	D	90.9	Very high	93.1	Very high	31 Å²	31	61.2 Å²	61.2	17%	0.166	32%	0.316	C	S	.	.			trans	-61.9	120.3	171.6	169.2	23.3	0	0	0	110.7	Y91 R338 V376 E381 L382 R387	Y91-D379 WeakPolarHBondContact OH-CB 3.44Å; Y91-D379 PolarHBondContact OH-OD2 2.82Å; R338-D379 IonicContact CZ-OD2 2.71Å; R338-D379 IonicContact NH1-OD2 2.87Å; R338-D379 PolarHBondContact NH1-OD2 3.49Å; R338-D379 IonicContact NH2-OD2 3.82Å; R338-D379 PolarHBondContact NH2-OD2 2.88Å; V376-D379 WeakPolarHBondContact O-CB 3.43Å; V376-D379 PolarHBondContact O-N 3.24Å; D379-E381 VanDerWaalsContact C-N 3.32Å; D379-E381 PolarHBondContact O-N 3.37Å; D379-E381 WeakPolarHBondContact OD1-CB 3.31Å; D379-E381 PolarHBondContact OD1-N 3.47Å; D379-L382 HydrophobicContact CB-CB 3.92Å; D379-L382 WeakPolarHBondContact O-CB 3.37Å; D379-L382 PolarHBondContact O-N 3.17Å; D379-L382 PolarHBondContact OD2-N 3.06Å; D379-R387 PolarHBondContact O-NH2 3.06Å
380	P	87.3	Confident	93	Very high	127 Å²	127	61.2 Å²	61.2	83%	0.825	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.2	178.2	31.1	-36.2	0	0	0	113.5	H378	H378-P380 WeakPolarHBondContact O-CD 3.45Å
381	E	86.8	Confident	93	Very high	88 Å²	88	62.4 Å²	62.4	41%	0.411	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-12	172.6	-65.4	-169.3	177	0	0	113.3	R337 R338 D379 L383	R337-E381 IonicContact CZ-OE2 3.94Å; R337-E381 IonicContact NH1-OE1 3.19Å; R337-E381 PolarHBondContact NH1-OE1 3.25Å; R337-E381 IonicContact NH1-OE2 3.65Å; R337-E381 PolarHBondContact NH1-OE2 3.2Å; R338-E381 IonicContact CZ-OE2 2.96Å; R338-E381 IonicContact NH2-OE2 3Å; R338-E381 PolarHBondContact NH2-OE2 2.99Å; D379-E381 VanDerWaalsContact C-N 3.32Å; D379-E381 PolarHBondContact O-N 3.37Å; D379-E381 WeakPolarHBondContact OD1-CB 3.31Å; D379-E381 PolarHBondContact OD1-N 3.47Å; E381-L383 PolarHBondContact O-N 3.49Å
382	L	90.1	Very high	92.9	Very high	8 Å²	8	63 Å²	63	4%	0.042	32%	0.324	C	S	.	.			trans	-65.5	122.9	-172.1	-167.4	82.3	0	0	0	112.2	T341 V376 D379 E386 R387	T341-L382 HydrophobicContact CG2-CD1 3.78Å; V376-L382 HydrophobicContact CG1-CD1 3.91Å; V376-L382 HydrophobicContact CG1-CD2 3.86Å; V376-L382 WeakPolarHBondContact O-CD2 3.46Å; D379-L382 HydrophobicContact CB-CB 3.92Å; D379-L382 WeakPolarHBondContact O-CB 3.37Å; D379-L382 PolarHBondContact O-N 3.17Å; D379-L382 PolarHBondContact OD2-N 3.06Å; L382-E386 HydrophobicContact CD1-CB 3.64Å; L382-E386 HydrophobicContact CD1-CG 4.48Å; L382-E386 HydrophobicContact CD2-CB 4.35Å; L382-E386 HydrophobicContact CG-CB 3.75Å; L382-R387 HydrophobicContact CD2-CB 3.78Å; L382-R387 HydrophobicContact CD2-CG 4.3Å; L382-R387 HydrophobicContact CG-CB 4.46Å; L382-R387 PolarHBondContact O-NH2 3.45Å; L382-R387 VanDerWaalsContact O-NH2 3.11Å
383	L	89.8	Confident	92.8	Very high	85 Å²	85	62.9 Å²	62.9	45%	0.445	32%	0.324	S	S	.	.			trans	-64.5	149.1	-177	-60.3	174.9	0	0	0	111.4	R338 E381 Q385 E386 R387	R338-L383 HydrophobicContact CG-CD1 4.47Å; E381-L383 PolarHBondContact O-N 3.49Å; L383-Q385 PolarHBondContact O-N 3.48Å; L383-E386 HydrophobicContact CB-CB 4.39Å; L383-E386 HydrophobicContact CB-CG 4.04Å; L383-E386 WeakPolarHBondContact CB-OE2 3.32Å; L383-E386 WeakPolarHBondContact CG-OE2 3.38Å; L383-E386 PolarHBondContact N-OE2 3.38Å; L383-E386 WeakPolarHBondContact O-CB 3.23Å; L383-E386 PolarHBondContact O-N 3.25Å; L383-R387 WeakPolarHBondContact O-CB 3.36Å; L383-R387 PolarHBondContact O-N 3.32Å
384	T	89.3	Confident	92.7	Very high	123 Å²	123	64 Å²	64	76%	0.755	33%	0.329	S	S	*	.	H	α-helix	trans	-53.5	-34.7	-179.5	-40.8	0	0	0	0	113.2	K388	T384-K388 WeakPolarHBondContact O-CB 3.37Å; T384-K388 PolarHBondContact O-N 3Å
385	Q	88	Confident	92.5	Very high	102 Å²	102	64.8 Å²	64.8	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-72.8	-40.8	176.6	-177.4	173.5	-10	0	0	112.8	T300 L383 K388 A389	T300-Q385 PolarHBondContact O-NE2 3.23Å; T300-Q385 PolarHBondContact O-OE1 2.98Å; L383-Q385 PolarHBondContact O-N 3.48Å; Q385-K388 PolarHBondContact O-N 2.95Å; Q385-A389 WeakPolarHBondContact O-CB 3.44Å; Q385-A389 PolarHBondContact O-N 3.09Å
386	E	91.8	Very high	92.4	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-45.4	175	-62.9	171.2	154.6	0	0	109.9	R338 T341 N342 L345 L382 L383 K388 A389 A390	R338-E386 VanDerWaalsContact CD-OE1 3.28Å; R338-E386 WeakPolarHBondContact CD-OE1 3.49Å; R338-E386 WeakPolarHBondContact CD-OE2 3.31Å; R338-E386 IonicContact CZ-OE2 2.72Å; R338-E386 IonicContact NH1-OE2 2.8Å; R338-E386 PolarHBondContact NH1-OE2 3.15Å; T341-E386 HydrophobicContact CG2-CB 4.28Å; T341-E386 HydrophobicContact CG2-CG 4.14Å; N342-E386 PolarHBondContact ND2-OE1 3.41Å; L345-E386 HydrophobicContact CD1-CB 4.05Å; L382-E386 HydrophobicContact CD1-CB 3.64Å; L382-E386 HydrophobicContact CD1-CG 4.48Å; L382-E386 HydrophobicContact CD2-CB 4.35Å; L382-E386 HydrophobicContact CG-CB 3.75Å; L383-E386 HydrophobicContact CB-CB 4.39Å; L383-E386 HydrophobicContact CB-CG 4.04Å; L383-E386 WeakPolarHBondContact CB-OE2 3.32Å; L383-E386 WeakPolarHBondContact CG-OE2 3.38Å; L383-E386 PolarHBondContact N-OE2 3.38Å; L383-E386 WeakPolarHBondContact O-CB 3.23Å; L383-E386 PolarHBondContact O-N 3.25Å; E386-K388 PolarHBondContact O-N 3.03Å; E386-A389 WeakPolarHBondContact O-CB 3.48Å; E386-A389 PolarHBondContact O-N 3.2Å; E386-A389 VanDerWaalsContact O-N 3.12Å; E386-A390 PolarHBondContact O-N 2.59Å
387	R	94	Very high	92.2	Very high	83 Å²	83	63.5 Å²	63.5	31%	0.313	33%	0.327	S	S	.	.	H	α-helix	trans	-57.8	-46.7	173.6	-166.5	178.5	-61.7	-83.7	-10.1	112.3	M377 D379 L382 L383 A389 A390 A391	M377-R387 PolarHBondContact O-NH1 3.27Å; D379-R387 PolarHBondContact O-NH2 3.06Å; L382-R387 HydrophobicContact CD2-CB 3.78Å; L382-R387 HydrophobicContact CD2-CG 4.3Å; L382-R387 HydrophobicContact CG-CB 4.46Å; L382-R387 PolarHBondContact O-NH2 3.45Å; L382-R387 VanDerWaalsContact O-NH2 3.11Å; L383-R387 WeakPolarHBondContact O-CB 3.36Å; L383-R387 PolarHBondContact O-N 3.32Å; R387-A389 VanDerWaalsContact C-N 3.32Å; R387-A389 PolarHBondContact O-N 3.19Å; R387-A390 PolarHBondContact O-N 3.43Å; R387-A391 WeakPolarHBondContact O-CB 2.95Å; R387-A391 PolarHBondContact O-N 3.07Å
388	K	93.8	Very high	92	Very high	150 Å²	150	64.8 Å²	64.8	65%	0.652	34%	0.338	S	S	*	.	H	α-helix	trans	-67.2	-30.7	175.3	-173.8	172.9	-177.3	175.8	0	112.3	T384 Q385 E386 N392	T384-K388 WeakPolarHBondContact O-CB 3.37Å; T384-K388 PolarHBondContact O-N 3Å; Q385-K388 PolarHBondContact O-N 2.95Å; E386-K388 PolarHBondContact O-N 3.03Å; K388-N392 WeakPolarHBondContact O-CB 3.28Å; K388-N392 PolarHBondContact O-N 3.25Å; K388-N392 PolarHBondContact O-ND2 2.91Å
389	A	94	Very high	91.5	Very high	24 Å²	24	62.3 Å²	62.3	20%	0.198	33%	0.327	C	S	.	.	H	α-helix	trans	-69	-50.2	174.3	0	0	0	0	0	110.9	L345 Q385 E386 R387 N392 I393	L345-A389 HydrophobicContact CD1-CB 4.3Å; Q385-A389 WeakPolarHBondContact O-CB 3.44Å; Q385-A389 PolarHBondContact O-N 3.09Å; E386-A389 WeakPolarHBondContact O-CB 3.48Å; E386-A389 PolarHBondContact O-N 3.2Å; E386-A389 VanDerWaalsContact O-N 3.12Å; R387-A389 VanDerWaalsContact C-N 3.32Å; R387-A389 PolarHBondContact O-N 3.19Å; A389-N392 PolarHBondContact O-N 3.11Å; A389-I393 WeakPolarHBondContact O-CG1 3.48Å; A389-I393 PolarHBondContact O-N 3.06Å; A389-I393 VanDerWaalsContact O-N 3.16Å
390	A	96.6	Very high	90	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-57.1	-51.7	176.1	0	0	0	0	0	112.2	L345 L373 V376 M377 E386 R387 N392 I393 I394	L345-A390 HydrophobicContact CD2-CB 3.93Å; L373-A390 HydrophobicContact CD2-CB 4.12Å; V376-A390 HydrophobicContact CG1-CB 4.36Å; M377-A390 HydrophobicContact CG-CB 3.85Å; M377-A390 HydrophobicContact SD-CB 4.24Å; E386-A390 PolarHBondContact O-N 2.59Å; R387-A390 PolarHBondContact O-N 3.43Å; A390-N392 PolarHBondContact O-N 3.11Å; A390-I393 PolarHBondContact O-N 2.83Å; A390-I394 PolarHBondContact O-N 3.05Å
391	A	95.4	Very high	88.6	Confident	38 Å²	38	69.4 Å²	69.4	31%	0.314	35%	0.351	S	S	.	.	H	α-helix	trans	-58.6	-33	178.5	0	0	0	0	0	113.4	M377 R387 R395	M377-A391 HydrophobicContact CE-CB 4.01Å; M377-A391 HydrophobicContact SD-CB 3.72Å; R387-A391 WeakPolarHBondContact O-CB 2.95Å; R387-A391 PolarHBondContact O-N 3.07Å; A391-R395 WeakPolarHBondContact O-CB 3.49Å; A391-R395 PolarHBondContact O-N 3.34Å
392	N	95.1	Very high	86.7	Confident	43 Å²	43	70.5 Å²	70.5	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-73.3	-30.4	173.9	-88.1	-77.8	0	0	0	113.2	K388 A389 A390 R395 T396	K388-N392 WeakPolarHBondContact O-CB 3.28Å; K388-N392 PolarHBondContact O-N 3.25Å; K388-N392 PolarHBondContact O-ND2 2.91Å; A389-N392 PolarHBondContact O-N 3.11Å; A390-N392 PolarHBondContact O-N 3.11Å; N392-R395 PolarHBondContact OD1-NH2 3.36Å; N392-T396 PolarHBondContact O-N 3.37Å; N392-T396 PolarHBondContact O-OG1 2.85Å
393	I	95.8	Very high	84.6	Confident	4 Å²	4	72.8 Å²	72.8	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-72.5	-43.4	176.4	-59.2	161	0	0	0	109.5	L345 L348 R349 V352 L373 A389 A390 R395 T396 L397	L345-I393 HydrophobicContact CD2-CD1 4.19Å; L345-I393 WeakPolarHBondContact O-CD1 3.34Å; L348-I393 HydrophobicContact CB-CD1 4.27Å; R349-I393 HydrophobicContact CB-CD1 3.96Å; R349-I393 HydrophobicContact CB-CG1 4.03Å; V352-I393 HydrophobicContact CB-CG2 4.14Å; V352-I393 HydrophobicContact CG1-CG2 4.3Å; V352-I393 HydrophobicContact CG2-CG2 3.78Å; L373-I393 HydrophobicContact CD1-CB 3.8Å; L373-I393 HydrophobicContact CD1-CG2 3.49Å; L373-I393 VanDerWaalsContact CD1-CG2 3.49Å; L373-I393 HydrophobicContact CD2-CD1 4.39Å; A389-I393 WeakPolarHBondContact O-CG1 3.48Å; A389-I393 PolarHBondContact O-N 3.06Å; A389-I393 VanDerWaalsContact O-N 3.16Å; A390-I393 PolarHBondContact O-N 2.83Å; I393-R395 VanDerWaalsContact C-N 3.32Å; I393-R395 PolarHBondContact O-N 3.28Å; I393-T396 PolarHBondContact O-N 3.01Å; I393-L397 PolarHBondContact O-N 3.45Å
394	I	95.3	Very high	82.5	Confident	22 Å²	22	73.7 Å²	73.7	11%	0.113	40%	0.397	C	S	.	.	H	α-helix	trans	-55.2	-50.4	170.5	-61.3	174.7	0	0	0	109.5	I370 L373 E374 M377 A390 T396 L397 T398	I370-I394 HydrophobicContact CG2-CG2 4.43Å; L373-I394 HydrophobicContact CB-CD1 3.72Å; L373-I394 HydrophobicContact CB-CG1 3.54Å; L373-I394 HydrophobicContact CD1-CG1 3.92Å; L373-I394 HydrophobicContact CG-CG1 4.39Å; E374-I394 HydrophobicContact CG-CD1 3.89Å; M377-I394 HydrophobicContact SD-CD1 3.72Å; A390-I394 PolarHBondContact O-N 3.05Å; I394-T396 VanDerWaalsContact C-N 3.3Å; I394-T396 PolarHBondContact O-N 3.34Å; I394-L397 CarbonylContact O-C 3.42Å; I394-L397 WeakPolarHBondContact O-CA 3.49Å; I394-L397 PolarHBondContact O-N 2.96Å; I394-T398 HydrophobicContact CG2-CG2 3.9Å; I394-T398 WeakPolarHBondContact O-CG2 3.41Å; I394-T398 PolarHBondContact O-N 3.13Å; I394-T398 PolarHBondContact O-OG1 3.46Å
395	R	93.5	Very high	80.4	Confident	115 Å²	115	73.8 Å²	73.8	43%	0.434	40%	0.398	S	S	.	.	H	α-helix	trans	-54.6	-42.7	178.2	-173.6	179.4	64.7	83	-2.2	112.8	A391 N392 I393 L397 T398 Q399	A391-R395 WeakPolarHBondContact O-CB 3.49Å; A391-R395 PolarHBondContact O-N 3.34Å; N392-R395 PolarHBondContact OD1-NH2 3.36Å; I393-R395 VanDerWaalsContact C-N 3.32Å; I393-R395 PolarHBondContact O-N 3.28Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-T398 WeakPolarHBondContact CA-OG1 3.44Å; R395-T398 PolarHBondContact O-N 3.4Å; R395-T398 PolarHBondContact O-OG1 3.35Å; R395-Q399 HydrophobicContact CG-CG 4Å; R395-Q399 VanDerWaalsContact CG-OE1 3.25Å; R395-Q399 WeakPolarHBondContact O-CB 3.34Å; R395-Q399 WeakPolarHBondContact O-CG 3.33Å; R395-Q399 PolarHBondContact O-N 3.06Å
396	T	91.7	Very high	78.8	Confident	65 Å²	65	72.4 Å²	72.4	40%	0.399	39%	0.392	S	S	.	.	H	α-helix	trans	-69.9	-25.8	176.8	-60.6	0	0	0	0	113.2	V352 N392 I393 I394	V352-T396 HydrophobicContact CG1-CG2 3.69Å; N392-T396 PolarHBondContact O-N 3.37Å; N392-T396 PolarHBondContact O-OG1 2.85Å; I393-T396 PolarHBondContact O-N 3.01Å; I394-T396 VanDerWaalsContact C-N 3.3Å; I394-T396 PolarHBondContact O-N 3.34Å
397	L	91.1	Very high	77.3	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.042	41%	0.406	C	S	.	.	H	α-helix	trans	-80.2	-32.2	172	-72.7	170.7	0	0	0	113	V352 F359 K366 V369 I370 I393 I394 R395	V352-L397 HydrophobicContact CB-CD2 4.46Å; V352-L397 HydrophobicContact CG1-CD2 3.8Å; V352-L397 HydrophobicContact CG1-CG 3.8Å; V352-L397 HydrophobicContact CG2-CD1 4.05Å; V352-L397 HydrophobicContact CG2-CD2 3.88Å; V352-L397 HydrophobicContact CG2-CG 4Å; F359-L397 HydrophobicContact CB-CD2 3.78Å; F359-L397 HydrophobicContact CD1-CD2 4.13Å; F359-L397 HydrophobicContact CD2-CD2 4.14Å; F359-L397 HydrophobicContact CG-CD2 3.73Å; K366-L397 WeakPolarHBondContact CE-O 3.33Å; K366-L397 HydrophobicContact CG-CD2 4.41Å; K366-L397 PolarHBondContact NZ-O 3.47Å; V369-L397 HydrophobicContact CB-CD1 4.18Å; V369-L397 HydrophobicContact CG1-CD1 3.64Å; I370-L397 HydrophobicContact CD1-CB 4.13Å; I370-L397 HydrophobicContact CG1-CB 4.1Å; I370-L397 HydrophobicContact CG1-CD1 3.89Å; I393-L397 PolarHBondContact O-N 3.45Å; I394-L397 CarbonylContact O-C 3.42Å; I394-L397 WeakPolarHBondContact O-CA 3.49Å; I394-L397 PolarHBondContact O-N 2.96Å; R395-L397 VanDerWaalsContact C-N 3.33Å
398	T	89.4	Confident	76	Confident	84 Å²	84	72.1 Å²	72.1	52%	0.515	41%	0.405	S	S	.	.	H	α-helix	trans	-92.6	-18.1	-174.7	56.3	0	0	0	0	114.4	I370 I394 R395	I370-T398 HydrophobicContact CD1-CG2 4.09Å; I394-T398 HydrophobicContact CG2-CG2 3.9Å; I394-T398 WeakPolarHBondContact O-CG2 3.41Å; I394-T398 PolarHBondContact O-N 3.13Å; I394-T398 PolarHBondContact O-OG1 3.46Å; R395-T398 WeakPolarHBondContact CA-OG1 3.44Å; R395-T398 PolarHBondContact O-N 3.4Å; R395-T398 PolarHBondContact O-OG1 3.35Å
399	Q	81.8	Confident	74.8	Confident	107 Å²	107	65.9 Å²	65.9	50%	0.5	38%	0.378	S	S	.	.	S	Bend	trans	-90.7	124.5	172.5	-69.1	-174	-42.6	0	0	109.4	R395	R395-Q399 HydrophobicContact CG-CG 4Å; R395-Q399 VanDerWaalsContact CG-OE1 3.25Å; R395-Q399 WeakPolarHBondContact O-CB 3.34Å; R395-Q399 WeakPolarHBondContact O-CG 3.33Å; R395-Q399 PolarHBondContact O-N 3.06Å
400	E	60.3	Low	73.6	Confident	188 Å²	188	70.1 Å²	70.1	88%	0.879	39%	0.394	S	S	*	.			trans	-61.2	139.4	159.1	-65.3	168.8	174	0	0	108.2	P402	E400-P402 VanDerWaalsContact O-CD 3.25Å; E400-P402 WeakPolarHBondContact O-CD 3.48Å
401	D	56.2	Low	72.6	Confident	118 Å²	118	75.3 Å²	75.3	63%	0.631	42%	0.418	S	S	*	.			trans	-79.8	113.5	-176.7	-163.3	-29.4	0	0	0	109.9	G403 D404	D401-G403 PolarHBondContact O-N 3.43Å; D401-G403 PolarHBondContact OD1-N 3.32Å; D401-D404 PolarHBondContact O-N 3.19Å
402	P	47	Very low	71.5	Confident	111 Å²	111	74 Å²	74	72%	0.721	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-6.2	177.3	31.4	-37.3	0	0	0	112.9	E400 T405	E400-P402 VanDerWaalsContact O-CD 3.25Å; E400-P402 WeakPolarHBondContact O-CD 3.48Å; P402-T405 PolarHBondContact O-OG1 3.43Å
403	G	46.6	Very low	70.3	Confident	57 Å²	57	73.5 Å²	73.5	59%	0.588	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-22.6	168.4	0	0	0	0	0	114.2	D401	D401-G403 PolarHBondContact O-N 3.43Å; D401-G403 PolarHBondContact OD1-N 3.32Å
404	D	46.5	Very low	69.1	Low	103 Å²	103	78.5 Å²	78.5	55%	0.551	43%	0.428	S	S	*	.			trans	-100.8	13	-179.3	-148.7	25.3	0	0	0	113.3	D401 Q406 K446	D401-D404 PolarHBondContact O-N 3.19Å; D404-Q406 PolarHBondContact O-N 2.97Å; D404-K446 IonicContact OD1-NZ 3.51Å; D404-K446 PolarHBondContact OD1-NZ 3.28Å
405	T	44.6	Very low	68	Low	126 Å²	126	81.9 Å²	81.9	77%	0.773	44%	0.444	S	S	*	.			trans	-72	41.8	165.4	-36.8	0	0	0	0	111.9	P402	P402-T405 PolarHBondContact O-OG1 3.43Å
406	Q	55	Low	66.7	Low	73 Å²	73	76.4 Å²	76.4	34%	0.341	42%	0.424	S	S	.	.	S	Bend	trans	-99.1	119.1	165	-68.5	-163.5	-42	0	0	107.9	D404 S408	D404-Q406 PolarHBondContact O-N 2.97Å; Q406-S408 PolarHBondContact O-N 2.72Å
407	A	59.1	Low	65.6	Low	37 Å²	37	78.9 Å²	78.9	31%	0.306	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-48.9	135.3	-177.9	0	0	0	0	0	112.2	E411 L412	A407-E411 HydrophobicContact CB-CB 4.16Å; A407-L412 HydrophobicContact CB-CD2 3.57Å; A407-L412 HydrophobicContact CB-CG 3.8Å
408	S	67.4	Low	64.4	Low	42 Å²	42	84.9 Å²	84.9	29%	0.294	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-61	159.7	173	60.5	0	0	0	0	111.2	Q406 E410 E411 L412	Q406-S408 PolarHBondContact O-N 2.72Å; S408-E410 PolarHBondContact O-N 2.76Å; S408-E411 WeakPolarHBondContact CB-OE2 3.5Å; S408-E411 PolarHBondContact N-OE2 3.33Å; S408-E411 PolarHBondContact O-N 3.05Å; S408-E411 WeakPolarHBondContact OG-CB 3.4Å; S408-E411 VanDerWaalsContact OG-CD 3.27Å; S408-E411 VanDerWaalsContact OG-CG 3.28Å; S408-E411 WeakPolarHBondContact OG-CG 3.33Å; S408-E411 PolarHBondContact OG-N 3.29Å; S408-E411 VanDerWaalsContact OG-N 3.1Å; S408-E411 PolarHBondContact OG-OE2 3.44Å; S408-L412 WeakPolarHBondContact O-CG 3.44Å; S408-L412 PolarHBondContact O-N 2.94Å
409	I	67.8	Low	63	Low	18 Å²	18	85 Å²	85	9%	0.092	45%	0.454	C	S	.	.	H	α-helix	trans	-58.5	-36.8	171.7	-76.8	161.1	0	0	0	110.3	L412 T413 L440 L443 V444	I409-L412 PolarHBondContact O-N 2.92Å; I409-T413 WeakPolarHBondContact O-CA 3.42Å; I409-T413 WeakPolarHBondContact O-CB 3.21Å; I409-T413 PolarHBondContact O-N 2.93Å; I409-T413 PolarHBondContact O-OG1 2.87Å; I409-L440 HydrophobicContact CG1-CD2 4.36Å; I409-L443 HydrophobicContact CD1-CB 3.6Å; I409-L443 HydrophobicContact CG1-CB 3.58Å; I409-L443 HydrophobicContact CG1-CD1 4.13Å; I409-V444 HydrophobicContact CD1-CB 4.16Å; I409-V444 HydrophobicContact CD1-CG1 3.28Å
410	E	70.2	Confident	62.3	Low	113 Å²	113	84.8 Å²	84.8	53%	0.528	47%	0.465	S	S	.	.	H	α-helix	trans	-56.1	-50.1	175	-75.1	70.9	-175.7	0	0	111.6	S408 T413 Q414 K472	S408-E410 PolarHBondContact O-N 2.76Å; E410-T413 PolarHBondContact O-N 2.94Å; E410-Q414 WeakPolarHBondContact O-CB 3.25Å; E410-Q414 PolarHBondContact O-N 3.09Å; E410-K472 IonicContact OE1-NZ 2.79Å; E410-K472 PolarHBondContact OE1-NZ 2.8Å; E410-K472 IonicContact OE2-NZ 2.86Å; E410-K472 PolarHBondContact OE2-NZ 3.3Å
411	E	75.1	Confident	63.1	Low	110 Å²	110	85 Å²	85	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-44.6	176	-71	158.4	132.1	0	0	112.5	A407 S408 T413 Q414 M415	A407-E411 HydrophobicContact CB-CB 4.16Å; S408-E411 WeakPolarHBondContact CB-OE2 3.5Å; S408-E411 PolarHBondContact N-OE2 3.33Å; S408-E411 PolarHBondContact O-N 3.05Å; S408-E411 WeakPolarHBondContact OG-CB 3.4Å; S408-E411 VanDerWaalsContact OG-CD 3.27Å; S408-E411 VanDerWaalsContact OG-CG 3.28Å; S408-E411 WeakPolarHBondContact OG-CG 3.33Å; S408-E411 PolarHBondContact OG-N 3.29Å; S408-E411 VanDerWaalsContact OG-N 3.1Å; S408-E411 PolarHBondContact OG-OE2 3.44Å; E411-T413 VanDerWaalsContact C-N 3.3Å; E411-T413 PolarHBondContact O-N 3.27Å; E411-Q414 WeakPolarHBondContact O-CB 3.29Å; E411-Q414 PolarHBondContact O-N 2.97Å; E411-M415 VanDerWaalsContact O-CG 3.32Å; E411-M415 WeakPolarHBondContact O-CG 3.24Å; E411-M415 PolarHBondContact O-N 3.19Å
412	L	71.6	Confident	64.4	Low	11 Å²	11	81.3 Å²	81.3	6%	0.058	45%	0.445	C	S	.	.	H	α-helix	trans	-65.9	-32.9	177.7	-66.1	-174.2	0	0	0	112.5	A407 S408 I409 M415 A416 M439 L443 F631	A407-L412 HydrophobicContact CB-CD2 3.57Å; A407-L412 HydrophobicContact CB-CG 3.8Å; S408-L412 WeakPolarHBondContact O-CG 3.44Å; S408-L412 PolarHBondContact O-N 2.94Å; I409-L412 PolarHBondContact O-N 2.92Å; L412-M415 HydrophobicContact CD2-SD 4.37Å; L412-A416 WeakPolarHBondContact O-CB 3.42Å; L412-A416 PolarHBondContact O-N 3.45Å; L412-M439 HydrophobicContact CD1-CE 3.88Å; L412-M439 HydrophobicContact CD1-SD 4.03Å; L412-L443 HydrophobicContact CD1-CD1 3.54Å; L412-F631 HydrophobicContact CB-CE2 3.89Å; L412-F631 HydrophobicContact CB-CZ 3.97Å; L412-F631 HydrophobicContact CD1-CD2 4.02Å; L412-F631 HydrophobicContact CD1-CE2 4.06Å; L412-F631 HydrophobicContact CD2-CD1 3.84Å; L412-F631 HydrophobicContact CD2-CD2 3.8Å; L412-F631 HydrophobicContact CD2-CE1 3.83Å; L412-F631 HydrophobicContact CD2-CE2 3.79Å; L412-F631 HydrophobicContact CD2-CG 3.82Å; L412-F631 HydrophobicContact CD2-CZ 3.8Å; L412-F631 HydrophobicContact CG-CD2 4.36Å; L412-F631 HydrophobicContact CG-CE2 4.12Å; L412-F631 HydrophobicContact CG-CZ 4.38Å
413	T	69.6	Low	66.5	Low	32 Å²	32	78.8 Å²	78.8	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-67.7	-44.8	173.6	-58.1	0	0	0	0	110	I409 E410 E411 A416 M417 L640	I409-T413 WeakPolarHBondContact O-CA 3.42Å; I409-T413 WeakPolarHBondContact O-CB 3.21Å; I409-T413 PolarHBondContact O-N 2.93Å; I409-T413 PolarHBondContact O-OG1 2.87Å; E410-T413 PolarHBondContact O-N 2.94Å; E411-T413 VanDerWaalsContact C-N 3.3Å; E411-T413 PolarHBondContact O-N 3.27Å; T413-A416 PolarHBondContact O-N 3.23Å; T413-M417 HydrophobicContact CG2-CE 3.74Å; T413-M417 HydrophobicContact CG2-CG 4.36Å; T413-M417 HydrophobicContact CG2-SD 4.04Å; T413-M417 WeakPolarHBondContact O-CB 3.46Å; T413-M417 VanDerWaalsContact O-CG 3.28Å; T413-M417 WeakPolarHBondContact O-CG 3.11Å; T413-M417 PolarHBondContact O-N 3.25Å; T413-L640 HydrophobicContact CG2-CD1 4.49Å
414	Q	72.3	Confident	68.5	Low	108 Å²	108	78.8 Å²	78.8	51%	0.505	41%	0.413	S	S	.	.	H	α-helix	trans	-58.5	-50.7	175.5	-178.5	59.7	39.1	0	0	111	E410 E411 A416 M417 E418	E410-Q414 WeakPolarHBondContact O-CB 3.25Å; E410-Q414 PolarHBondContact O-N 3.09Å; E411-Q414 WeakPolarHBondContact O-CB 3.29Å; E411-Q414 PolarHBondContact O-N 2.97Å; Q414-A416 PolarHBondContact O-N 3.13Å; Q414-M417 PolarHBondContact O-N 2.92Å; Q414-M417 VanDerWaalsContact O-N 3.14Å; Q414-E418 PolarHBondContact NE2-OE1 2.97Å; Q414-E418 WeakPolarHBondContact O-CG 3.47Å; Q414-E418 PolarHBondContact O-N 3.49Å
415	M	70.5	Confident	70.7	Confident	93 Å²	93	74 Å²	74	46%	0.458	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-40.2	176.3	-67.9	173.2	68.6	0	0	112.9	E411 L412 M417 F631	E411-M415 VanDerWaalsContact O-CG 3.32Å; E411-M415 WeakPolarHBondContact O-CG 3.24Å; E411-M415 PolarHBondContact O-N 3.19Å; L412-M415 HydrophobicContact CD2-SD 4.37Å; M415-M417 VanDerWaalsContact C-N 3.35Å; M415-F631 HydrophobicContact CB-CE1 4.16Å; M415-F631 HydrophobicContact CE-CD1 4.41Å; M415-F631 HydrophobicContact CE-CE1 4.25Å
416	A	67.9	Low	73	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.008	37%	0.373	C	S	.	.	H	α-helix	trans	-69	-31.7	175.8	0	0	0	0	0	112.5	L412 T413 Q414 F631 A636 K637	L412-A416 WeakPolarHBondContact O-CB 3.42Å; L412-A416 PolarHBondContact O-N 3.45Å; T413-A416 PolarHBondContact O-N 3.23Å; Q414-A416 PolarHBondContact O-N 3.13Å; A416-F631 HydrophobicContact CB-CZ 4.47Å; A416-A636 HydrophobicContact CB-CB 4.43Å; A416-K637 HydrophobicContact CB-CB 4.04Å; A416-K637 VanDerWaalsContact O-CD 3.31Å; A416-K637 WeakPolarHBondContact O-CD 3.42Å; A416-K637 VanDerWaalsContact O-CG 3.31Å; A416-K637 WeakPolarHBondContact O-CG 3.39Å; A416-K637 PolarHBondContact O-NZ 2.81Å
417	M	67.9	Low	74.9	Confident	116 Å²	116	74.1 Å²	74.1	57%	0.571	38%	0.382	S	S	*	.	H	α-helix	trans	-75.9	-27.9	177.8	-75.6	-172.6	177.4	0	0	113.2	T413 Q414 M415 K637	T413-M417 HydrophobicContact CG2-CE 3.74Å; T413-M417 HydrophobicContact CG2-CG 4.36Å; T413-M417 HydrophobicContact CG2-SD 4.04Å; T413-M417 WeakPolarHBondContact O-CB 3.46Å; T413-M417 VanDerWaalsContact O-CG 3.28Å; T413-M417 WeakPolarHBondContact O-CG 3.11Å; T413-M417 PolarHBondContact O-N 3.25Å; Q414-M417 PolarHBondContact O-N 2.92Å; Q414-M417 VanDerWaalsContact O-N 3.14Å; M415-M417 VanDerWaalsContact C-N 3.35Å; M417-K637 PolarHBondContact O-NZ 2.96Å; M417-K637 VanDerWaalsContact O-NZ 3.09Å
418	E	66.3	Low	76.6	Confident	135 Å²	135	72.7 Å²	72.7	63%	0.631	37%	0.369	S	S	*	.	H	α-helix	trans	-69.1	-26.4	177.6	-76.7	170.2	-163.9	0	0	114.6	Q414	Q414-E418 PolarHBondContact NE2-OE1 2.97Å; Q414-E418 WeakPolarHBondContact O-CG 3.47Å; Q414-E418 PolarHBondContact O-N 3.49Å
419	E	58.8	Low	78.1	Confident	85 Å²	85	73.1 Å²	73.1	40%	0.397	37%	0.372	S	S	.	.	S	Bend	trans	-68.9	167.9	172	-71.9	-158.5	160.6	0	0	112.8	P633 K634 K637	E419-P633 HydrophobicContact CG-CB 4.27Å; E419-K634 WeakPolarHBondContact OE2-CG 3.4Å; E419-K637 PolarHBondContact O-NZ 3.35Å
420	S	68.7	Low	79.6	Confident	104 Å²	104	73.2 Å²	73.2	73%	0.727	38%	0.376	S	S	*	.	S	Bend	trans	-70.1	-161.1	-176	79.8	0	0	0	0	114.7	T422 K637	S420-T422 PolarHBondContact O-N 2.81Å; S420-K637 WeakPolarHBondContact O-CE 3.37Å; S420-K637 PolarHBondContact O-NZ 3.25Å
421	K	76.8	Confident	80.9	Confident	193 Å²	193	71.8 Å²	71.8	84%	0.839	37%	0.371	S	S	*	.	S	Bend	trans	-53.9	132.4	-174.4	-164.4	-179.6	-175	-173.8	0	111.7	E423	K421-E423 PolarHBondContact O-N 3.11Å
422	T	83.8	Confident	82	Confident	40 Å²	40	69.6 Å²	69.6	25%	0.245	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-52.9	130.5	179.9	-42.4	0	0	0	0	111.2	S420 K637 D641	S420-T422 PolarHBondContact O-N 2.81Å; T422-K637 HydrophobicContact CG2-CD 4.46Å; T422-K637 HydrophobicContact CG2-CG 4.4Å; T422-D641 WeakPolarHBondContact CB-OD2 3.44Å; T422-D641 HydrophobicContact CG2-CB 4.21Å; T422-D641 WeakPolarHBondContact CG2-OD2 3.45Å; T422-D641 PolarHBondContact OG1-OD2 2.69Å
423	E	89.2	Confident	83.3	Confident	57 Å²	57	69.1 Å²	69.1	27%	0.266	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-76.9	145.7	175.5	-74.1	-178.4	-177.7	0	0	110.4	K421 N427 H428 K634	K421-E423 PolarHBondContact O-N 3.11Å; E423-N427 HydrophobicContact CB-CB 4.48Å; E423-H428 IonicContact OE2-CE1 2.86Å; E423-H428 PolarHBondContact OE2-CE1 2.98Å; E423-H428 IonicContact OE2-ND1 3.82Å; E423-K634 WeakPolarHBondContact OE1-CE 3.48Å; E423-K634 IonicContact OE1-NZ 2.68Å; E423-K634 PolarHBondContact OE1-NZ 3.29Å; E423-K634 IonicContact OE2-NZ 3.84Å
424	P	89.3	Confident	84.7	Confident	57 Å²	57	67.6 Å²	67.6	37%	0.37	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-74.9	155.8	-177.9	33.9	-38.4	0	0	0	111.5	E426 N427	P424-E426 HydrophobicContact CB-CG 4.4Å; P424-E426 HydrophobicContact CG-CG 4.16Å; P424-E426 PolarHBondContact O-N 3.47Å; P424-E426 VanDerWaalsContact O-N 3.09Å; P424-N427 WeakPolarHBondContact O-CB 3.41Å; P424-N427 PolarHBondContact O-N 3.16Å
425	F	93.6	Very high	85.9	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.018	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-52.4	-37.1	-173.3	173.5	-110.2	0	0	0	113.7	N427 H428 I433 E487 V500 K503 W504 Y638	F425-N427 VanDerWaalsContact C-N 3.26Å; F425-N427 PolarHBondContact O-N 2.93Å; F425-H428 PolarHBondContact O-N 2.92Å; F425-I433 HydrophobicContact CD2-CD1 3.86Å; F425-I433 HydrophobicContact CE2-CD1 3.6Å; F425-E487 HydrophobicContact CB-CG 4.07Å; F425-E487 WeakPolarHBondContact CB-OE2 3.33Å; F425-E487 HydrophobicContact CD1-CG 3.98Å; F425-E487 HydrophobicContact CD2-CG 4.27Å; F425-E487 HydrophobicContact CE1-CG 4.45Å; F425-E487 HydrophobicContact CG-CG 3.87Å; F425-V500 HydrophobicContact CD1-CG1 4.31Å; F425-V500 HydrophobicContact CD1-CG2 4.01Å; F425-V500 HydrophobicContact CE1-CB 4.13Å; F425-V500 HydrophobicContact CE1-CG1 3.82Å; F425-V500 HydrophobicContact CE1-CG2 3.95Å; F425-V500 HydrophobicContact CZ-CG1 4.45Å; F425-K503 HydrophobicContact CD1-CD 4.31Å; F425-K503 HydrophobicContact CE1-CB 4.13Å; F425-K503 HydrophobicContact CE1-CD 3.55Å; F425-K503 HydrophobicContact CE1-CG 3.99Å; F425-K503 HydrophobicContact CE2-CD 4.44Å; F425-K503 HydrophobicContact CZ-CB 4.05Å; F425-K503 HydrophobicContact CZ-CD 3.65Å; F425-K503 HydrophobicContact CZ-CG 3.68Å; F425-K503 PolarHBondContact O-NZ 2.74Å; F425-W504 HydrophobicContact CD2-CZ2 4.29Å; F425-W504 HydrophobicContact CE2-CD2 4.16Å; F425-W504 AromaticContact CE2-CE2 3.5Å; F425-W504 HydrophobicContact CE2-CH2 4.48Å; F425-W504 AromaticContact CE2-CZ2 3.71Å; F425-W504 HydrophobicContact CE2-CZ2 3.71Å; F425-W504 AromaticContact CE2-NE1 3.5Å; F425-W504 AromaticContact CZ-CD1 3.62Å; F425-W504 HydrophobicContact CZ-CD2 4.2Å; F425-W504 AromaticContact CZ-CE2 3.8Å; F425-W504 HydrophobicContact CZ-CG 4.11Å; F425-W504 HydrophobicContact CZ-CZ2 4.46Å; F425-W504 AromaticContact CZ-NE1 3.41Å; F425-Y638 HydrophobicContact CB-CE2 3.71Å; F425-Y638 AromaticContact CD2-CE1 3.9Å; F425-Y638 HydrophobicContact CD2-CE1 3.9Å; F425-Y638 HydrophobicContact CD2-CE2 4.28Å; F425-Y638 AromaticContact CD2-CZ 3.56Å; F425-Y638 VanDerWaalsContact CD2-OH 3.27Å; F425-Y638 WeakPolarHBondContact CD2-OH 3.36Å; F425-Y638 HydrophobicContact CG-CE2 4.49Å
426	E	92.9	Very high	87.2	Confident	101 Å²	101	60.4 Å²	60.4	47%	0.472	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-56.6	-33.3	177.9	53.9	-92	-146.5	0	0	114	P424 H428 K503	P424-E426 HydrophobicContact CB-CG 4.4Å; P424-E426 HydrophobicContact CG-CG 4.16Å; P424-E426 PolarHBondContact O-N 3.47Å; P424-E426 VanDerWaalsContact O-N 3.09Å; E426-H428 PolarHBondContact O-N 3.12Å; E426-K503 PolarHBondContact O-NZ 3.48Å
427	N	94.1	Very high	88.6	Confident	99 Å²	99	60.4 Å²	60.4	53%	0.529	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-71.9	-25.1	-174.5	-76	5.3	0	0	0	114.2	E423 P424 F425	E423-N427 HydrophobicContact CB-CB 4.48Å; P424-N427 WeakPolarHBondContact O-CB 3.41Å; P424-N427 PolarHBondContact O-N 3.16Å; F425-N427 VanDerWaalsContact C-N 3.26Å; F425-N427 PolarHBondContact O-N 2.93Å
428	H	95.8	Very high	90.1	Very high	7 Å²	7	54.9 Å²	54.9	3%	0.032	29%	0.287	C	S	.	.	S	Bend	trans	-94.1	136.9	-177.8	-54.8	-38.3	0	0	0	110.9	E423 F425 E426 I433 K503 V635 Y638	E423-H428 IonicContact OE2-CE1 2.86Å; E423-H428 PolarHBondContact OE2-CE1 2.98Å; E423-H428 IonicContact OE2-ND1 3.82Å; F425-H428 PolarHBondContact O-N 2.92Å; E426-H428 PolarHBondContact O-N 3.12Å; H428-I433 HydrophobicContact CB-CD1 3.98Å; H428-I433 HydrophobicContact CB-CG1 3.84Å; H428-K503 WeakPolarHBondContact O-CE 3.5Å; H428-K503 PolarHBondContact O-NZ 2.8Å; H428-V635 HydrophobicContact CB-CG2 4.19Å; H428-Y638 AromaticContact CD2-CG 3.87Å
429	S	97.9	Very high	91.5	Very high	51 Å²	51	49.4 Å²	49.4	36%	0.357	26%	0.262	S	S	.	.			trans	-72	159.9	176.3	74.4	0	0	0	0	112.1	L431 E432 I433	S429-L431 PolarHBondContact O-N 2.63Å; S429-L431 PolarHBondContact OG-N 3.29Å; S429-E432 WeakPolarHBondContact CA-OE2 3.25Å; S429-E432 WeakPolarHBondContact CB-OE2 3.49Å; S429-E432 PolarHBondContact N-OE2 3.31Å; S429-E432 PolarHBondContact O-N 2.94Å; S429-E432 VanDerWaalsContact OG-CD 3.26Å; S429-E432 VanDerWaalsContact OG-CG 3.3Å; S429-E432 WeakPolarHBondContact OG-CG 3.48Å; S429-E432 PolarHBondContact OG-N 3.44Å; S429-E432 PolarHBondContact OG-OE2 3.13Å; S429-I433 VanDerWaalsContact O-CG1 3.3Å; S429-I433 WeakPolarHBondContact O-CG1 3.41Å; S429-I433 PolarHBondContact O-N 2.8Å
430	A	98.4	Very high	93.2	Very high	20 Å²	20	45.3 Å²	45.3	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-22.2	175.5	0	0	0	0	0	113.2	A434 K503 A506 V507 I510	A430-A434 VanDerWaalsContact O-CB 3.31Å; A430-A434 WeakPolarHBondContact O-CB 3.4Å; A430-A434 PolarHBondContact O-N 2.96Å; A430-K503 HydrophobicContact CB-CG 4.42Å; A430-A506 HydrophobicContact CB-CB 4.06Å; A430-V507 HydrophobicContact CB-CG2 3.91Å; A430-I510 HydrophobicContact CB-CD1 4.09Å
431	L	98.4	Very high	94.6	Very high	84 Å²	84	40.5 Å²	40.5	44%	0.44	21%	0.209	S	C	.	.	H	α-helix	trans	-74.3	-53.5	175.5	178.2	60.3	0	0	0	110.8	S429 I433 A434 E435 I510	S429-L431 PolarHBondContact O-N 2.63Å; S429-L431 PolarHBondContact OG-N 3.29Å; L431-I433 VanDerWaalsContact C-N 3.28Å; L431-I433 PolarHBondContact O-N 2.85Å; L431-A434 PolarHBondContact O-N 3.22Å; L431-E435 HydrophobicContact CD1-CG 4Å; L431-E435 HydrophobicContact CG-CG 4.38Å; L431-E435 WeakPolarHBondContact O-CB 3.39Å; L431-E435 WeakPolarHBondContact O-CG 3.42Å; L431-E435 PolarHBondContact O-N 3.07Å; L431-I510 HydrophobicContact CB-CD1 4.48Å; L431-I510 HydrophobicContact CD1-CG2 3.91Å
432	E	97.9	Very high	95.5	Very high	64 Å²	64	31.5 Å²	31.5	30%	0.299	17%	0.17	S	C	.	.	H	α-helix	trans	-58.7	-40.9	-178.8	-64.8	157.7	131.7	0	0	111.3	S429 E435 Q436 V635	S429-E432 WeakPolarHBondContact CA-OE2 3.25Å; S429-E432 WeakPolarHBondContact CB-OE2 3.49Å; S429-E432 PolarHBondContact N-OE2 3.31Å; S429-E432 PolarHBondContact O-N 2.94Å; S429-E432 VanDerWaalsContact OG-CD 3.26Å; S429-E432 VanDerWaalsContact OG-CG 3.3Å; S429-E432 WeakPolarHBondContact OG-CG 3.48Å; S429-E432 PolarHBondContact OG-N 3.44Å; S429-E432 PolarHBondContact OG-OE2 3.13Å; E432-E435 PolarHBondContact O-N 3.44Å; E432-Q436 WeakPolarHBondContact O-CG 3.21Å; E432-Q436 PolarHBondContact O-N 3.16Å; E432-V635 HydrophobicContact CB-CG1 4.5Å; E432-V635 HydrophobicContact CB-CG2 4.17Å
433	I	98.6	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-46.5	174.7	-64	169.2	0	0	0	111.1	F425 H428 S429 L431 E435 L437 W504 V507 V635 L639	F425-I433 HydrophobicContact CD2-CD1 3.86Å; F425-I433 HydrophobicContact CE2-CD1 3.6Å; H428-I433 HydrophobicContact CB-CD1 3.98Å; H428-I433 HydrophobicContact CB-CG1 3.84Å; S429-I433 VanDerWaalsContact O-CG1 3.3Å; S429-I433 WeakPolarHBondContact O-CG1 3.41Å; S429-I433 PolarHBondContact O-N 2.8Å; L431-I433 VanDerWaalsContact C-N 3.28Å; L431-I433 PolarHBondContact O-N 2.85Å; I433-E435 VanDerWaalsContact C-N 3.35Å; I433-E435 PolarHBondContact O-N 2.81Å; I433-L437 WeakPolarHBondContact O-CB 3.34Å; I433-L437 PolarHBondContact O-N 3.13Å; I433-W504 HydrophobicContact CG2-CH2 4.07Å; I433-W504 HydrophobicContact CG2-CZ3 3.98Å; I433-V507 HydrophobicContact CB-CG2 4.02Å; I433-V507 HydrophobicContact CG2-CG1 3.93Å; I433-V507 HydrophobicContact CG2-CG2 3.85Å; I433-V635 HydrophobicContact CG1-CG1 4.13Å; I433-L639 HydrophobicContact CG2-CD2 4.32Å
434	A	98.8	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-36.5	179.9	0	0	0	0	0	112.6	A430 L431 T438 V507 I510 L514	A430-A434 VanDerWaalsContact O-CB 3.31Å; A430-A434 WeakPolarHBondContact O-CB 3.4Å; A430-A434 PolarHBondContact O-N 2.96Å; L431-A434 PolarHBondContact O-N 3.22Å; A434-T438 WeakPolarHBondContact O-CB 3.44Å; A434-T438 PolarHBondContact O-N 3.3Å; A434-T438 PolarHBondContact O-OG1 3.4Å; A434-V507 HydrophobicContact CB-CG1 3.97Å; A434-I510 HydrophobicContact CB-CB 3.75Å; A434-I510 HydrophobicContact CB-CG2 3.46Å; A434-I510 VanDerWaalsContact CB-CG2 3.46Å; A434-L514 HydrophobicContact CB-CD1 4.41Å
435	E	98.2	Very high	96.5	Very high	51 Å²	51	25 Å²	25	24%	0.238	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-54.1	176.5	-76.2	177.4	160.4	0	0	111.4	L431 E432 I433 L437 T438 M439 L514 I629	L431-E435 HydrophobicContact CD1-CG 4Å; L431-E435 HydrophobicContact CG-CG 4.38Å; L431-E435 WeakPolarHBondContact O-CB 3.39Å; L431-E435 WeakPolarHBondContact O-CG 3.42Å; L431-E435 PolarHBondContact O-N 3.07Å; E432-E435 PolarHBondContact O-N 3.44Å; I433-E435 VanDerWaalsContact C-N 3.35Å; I433-E435 PolarHBondContact O-N 2.81Å; E435-L437 PolarHBondContact O-N 2.94Å; E435-T438 PolarHBondContact O-N 2.76Å; E435-M439 PolarHBondContact O-N 3.13Å; E435-L514 HydrophobicContact CG-CD1 4.23Å; E435-I629 HydrophobicContact CB-CD1 4.38Å; E435-I629 HydrophobicContact CB-CG2 3.86Å; E435-I629 WeakPolarHBondContact O-CD1 3.29Å
436	Q	97.3	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-36.8	179.6	-62.2	-46.7	-73.8	0	0	112.4	E432 M439 L440 D630 Q632 V635 L639	E432-Q436 WeakPolarHBondContact O-CG 3.21Å; E432-Q436 PolarHBondContact O-N 3.16Å; Q436-M439 PolarHBondContact O-N 3.07Å; Q436-L440 VanDerWaalsContact O-CG 3.31Å; Q436-L440 WeakPolarHBondContact O-CG 3.36Å; Q436-L440 PolarHBondContact O-N 3.41Å; Q436-D630 PolarHBondContact NE2-O 3.28Å; Q436-Q632 HydrophobicContact CG-CB 3.96Å; Q436-V635 HydrophobicContact CB-CB 4.46Å; Q436-V635 HydrophobicContact CB-CG1 4.01Å; Q436-V635 HydrophobicContact CG-CB 3.82Å; Q436-V635 HydrophobicContact CG-CG1 3.8Å; Q436-L639 HydrophobicContact CB-CD1 3.84Å
437	L	98.1	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.8	-44.6	173.2	178.2	55.7	0	0	0	111.1	I433 E435 M439 L440 D441 I480 A519 L639	I433-L437 WeakPolarHBondContact O-CB 3.34Å; I433-L437 PolarHBondContact O-N 3.13Å; E435-L437 PolarHBondContact O-N 2.94Å; L437-M439 VanDerWaalsContact C-N 3.33Å; L437-M439 PolarHBondContact O-N 3.42Å; L437-L440 PolarHBondContact O-N 2.78Å; L437-D441 VanDerWaalsContact O-CB 3.3Å; L437-D441 WeakPolarHBondContact O-CB 3.47Å; L437-D441 PolarHBondContact O-N 3.41Å; L437-I480 HydrophobicContact CD1-CD1 4Å; L437-I480 HydrophobicContact CD1-CG1 3.96Å; L437-I480 HydrophobicContact CD1-CG2 3.91Å; L437-I480 HydrophobicContact CD2-CG2 4.35Å; L437-A519 HydrophobicContact CD2-CB 3.61Å; L437-A519 HydrophobicContact CG-CB 3.95Å; L437-L639 HydrophobicContact CB-CD1 3.97Å
438	T	98.4	Very high	96.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.3	-35.9	177.2	-63.2	0	0	0	0	113.2	A434 E435 H442 L514 N516 Y627 I629	A434-T438 WeakPolarHBondContact O-CB 3.44Å; A434-T438 PolarHBondContact O-N 3.3Å; A434-T438 PolarHBondContact O-OG1 3.4Å; E435-T438 PolarHBondContact O-N 2.76Å; T438-H442 VanDerWaalsContact O-CB 3.28Å; T438-H442 WeakPolarHBondContact O-CB 3.37Å; T438-H442 PolarHBondContact O-N 3.34Å; T438-L514 HydrophobicContact CG2-CB 4.24Å; T438-L514 HydrophobicContact CG2-CD1 4.44Å; T438-N516 WeakPolarHBondContact CA-ND2 3.44Å; T438-N516 HydrophobicContact CG2-CB 3.87Å; T438-N516 WeakPolarHBondContact OG1-CB 3.31Å; T438-N516 PolarHBondContact OG1-ND2 2.9Å; T438-Y627 HydrophobicContact CG2-CD1 3.82Å; T438-Y627 HydrophobicContact CG2-CD2 4.12Å; T438-Y627 HydrophobicContact CG2-CE1 3.41Å; T438-Y627 VanDerWaalsContact CG2-CE1 3.41Å; T438-Y627 HydrophobicContact CG2-CE2 3.74Å; T438-Y627 HydrophobicContact CG2-CG 4.15Å; T438-I629 HydrophobicContact CG2-CD1 4.09Å
439	M	95.7	Very high	96.1	Very high	20 Å²	20	19.3 Å²	19.3	10%	0.099	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-49.3	172.3	179.4	-156.1	64.9	0	0	111.3	L412 E435 Q436 L437 H442 L443 I629 F631	L412-M439 HydrophobicContact CD1-CE 3.88Å; L412-M439 HydrophobicContact CD1-SD 4.03Å; E435-M439 PolarHBondContact O-N 3.13Å; Q436-M439 PolarHBondContact O-N 3.07Å; L437-M439 VanDerWaalsContact C-N 3.33Å; L437-M439 PolarHBondContact O-N 3.42Å; M439-H442 PolarHBondContact O-N 3.01Å; M439-L443 HydrophobicContact CG-CD1 4.13Å; M439-L443 VanDerWaalsContact O-CG 3.28Å; M439-L443 WeakPolarHBondContact O-CG 3.23Å; M439-L443 PolarHBondContact O-N 2.84Å; M439-I629 HydrophobicContact CB-CG2 4.23Å; M439-F631 HydrophobicContact CE-CD2 3.77Å; M439-F631 HydrophobicContact CE-CE2 4.13Å; M439-F631 HydrophobicContact SD-CD2 3.97Å
440	L	95.8	Very high	95.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-45.2	179.4	-68.6	170.9	0	0	0	112.1	I409 Q436 L437 H442 L443 V444 L639 L640	I409-L440 HydrophobicContact CG1-CD2 4.36Å; Q436-L440 VanDerWaalsContact O-CG 3.31Å; Q436-L440 WeakPolarHBondContact O-CG 3.36Å; Q436-L440 PolarHBondContact O-N 3.41Å; L437-L440 PolarHBondContact O-N 2.78Å; L440-H442 VanDerWaalsContact C-N 3.34Å; L440-H442 PolarHBondContact O-N 3.18Å; L440-L443 PolarHBondContact O-N 3.44Å; L440-L443 VanDerWaalsContact O-N 3.13Å; L440-V444 PolarHBondContact O-N 2.8Å; L440-L639 HydrophobicContact CD1-CB 4Å; L440-L639 HydrophobicContact CD1-CD1 4.05Å; L440-L640 HydrophobicContact CD1-CD1 4.39Å; L440-L640 HydrophobicContact CD1-CD2 4.11Å; L440-L640 HydrophobicContact CD1-CG 4.06Å; L440-L640 HydrophobicContact CD2-CD1 4.16Å; L440-L640 HydrophobicContact CD2-CD2 4.39Å
441	D	97.4	Very high	95.3	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	10%	0.095	C	C	.	.	H	α-helix	trans	-55.1	-47.6	173	-102	-12.8	0	0	0	112	L437 L443 V444 F445 H476 N516 N518 A519 V578	L437-D441 VanDerWaalsContact O-CB 3.3Å; L437-D441 WeakPolarHBondContact O-CB 3.47Å; L437-D441 PolarHBondContact O-N 3.41Å; D441-L443 VanDerWaalsContact C-N 3.31Å; D441-L443 PolarHBondContact O-N 2.92Å; D441-V444 WeakPolarHBondContact O-CG2 3.34Å; D441-V444 PolarHBondContact O-N 3.24Å; D441-F445 VanDerWaalsContact O-CB 3.24Å; D441-F445 WeakPolarHBondContact O-CB 3.46Å; D441-F445 PolarHBondContact O-N 3.21Å; D441-H476 IonicContact OD1-CD2 3.28Å; D441-N516 PolarHBondContact OD2-ND2 2.91Å; D441-N516 PolarHBondContact OD2-OD1 2.98Å; D441-N516 VanDerWaalsContact OD2-OD1 3.1Å; D441-N518 VanDerWaalsContact CG-ND2 3.26Å; D441-N518 PolarHBondContact OD1-ND2 3.04Å; D441-N518 PolarHBondContact OD2-ND2 2.95Å; D441-A519 PolarHBondContact OD2-N 3.03Å; D441-V578 HydrophobicContact CB-CG1 4.21Å; D441-V578 HydrophobicContact CB-CG2 4.24Å
442	H	95.9	Very high	95.2	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.019	8%	0.076	C	C	.	.	H	α-helix	trans	-66.3	-34.6	178.6	-175.3	81.3	0	0	0	111.9	T438 M439 L440 F445 K446 V578 T625 Y627	T438-H442 VanDerWaalsContact O-CB 3.28Å; T438-H442 WeakPolarHBondContact O-CB 3.37Å; T438-H442 PolarHBondContact O-N 3.34Å; M439-H442 PolarHBondContact O-N 3.01Å; L440-H442 VanDerWaalsContact C-N 3.34Å; L440-H442 PolarHBondContact O-N 3.18Å; H442-F445 PolarHBondContact O-N 3.16Å; H442-K446 WeakPolarHBondContact O-CB 3.49Å; H442-K446 PolarHBondContact O-N 2.9Å; H442-V578 HydrophobicContact CB-CG2 3.86Å; H442-T625 PolarHBondContact CE1-O 3.42Å; H442-Y627 HydrophobicContact CB-CD2 3.65Å; H442-Y627 HydrophobicContact CB-CE2 3.86Å; H442-Y627 AromaticContact CG-CD2 3.56Å; H442-Y627 AromaticContact CG-CE2 3.89Å; H442-Y627 AromaticContact ND1-CD2 3.71Å; H442-Y627 AromaticContact ND1-CE2 3.7Å
443	L	92.9	Very high	95	Very high	11 Å²	11	12.3 Å²	12.3	6%	0.058	6%	0.062	C	C	.	.	H	α-helix	trans	-71.4	-34.6	178.7	-70	170.7	0	0	0	113.1	I409 L412 M439 L440 D441 K446	I409-L443 HydrophobicContact CD1-CB 3.6Å; I409-L443 HydrophobicContact CG1-CB 3.58Å; I409-L443 HydrophobicContact CG1-CD1 4.13Å; L412-L443 HydrophobicContact CD1-CD1 3.54Å; M439-L443 HydrophobicContact CG-CD1 4.13Å; M439-L443 VanDerWaalsContact O-CG 3.28Å; M439-L443 WeakPolarHBondContact O-CG 3.23Å; M439-L443 PolarHBondContact O-N 2.84Å; L440-L443 PolarHBondContact O-N 3.44Å; L440-L443 VanDerWaalsContact O-N 3.13Å; D441-L443 VanDerWaalsContact C-N 3.31Å; D441-L443 PolarHBondContact O-N 2.92Å; L443-K446 HydrophobicContact CD2-CD 4.26Å
444	V	94.4	Very high	94.8	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.03	7%	0.069	C	C	.	.	H	α-helix	trans	-69.5	-37.8	169.1	-69.7	0	0	0	0	111.3	I409 L440 D441 V447 K472 T473 H476	I409-V444 HydrophobicContact CD1-CB 4.16Å; I409-V444 HydrophobicContact CD1-CG1 3.28Å; L440-V444 PolarHBondContact O-N 2.8Å; D441-V444 WeakPolarHBondContact O-CG2 3.34Å; D441-V444 PolarHBondContact O-N 3.24Å; V444-V447 WeakPolarHBondContact O-CG2 3.28Å; V444-K472 HydrophobicContact CG1-CG 4.25Å; V444-T473 HydrophobicContact CG2-CG2 4.01Å; V444-T473 PolarHBondContact O-OG1 3.47Å; V444-H476 HydrophobicContact CG1-CB 4.08Å; V444-H476 HydrophobicContact CG2-CB 4.36Å
445	F	96.1	Very high	94.4	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.013	9%	0.087	C	C	.	.	H	α-helix	trans	-74.3	-39.7	-176.3	174.2	-105	0	0	0	113.7	D441 H442 V447 I448 V578 P579 L581 I619 F622 Q623	D441-F445 VanDerWaalsContact O-CB 3.24Å; D441-F445 WeakPolarHBondContact O-CB 3.46Å; D441-F445 PolarHBondContact O-N 3.21Å; H442-F445 PolarHBondContact O-N 3.16Å; F445-V447 VanDerWaalsContact C-N 3.29Å; F445-V447 PolarHBondContact O-N 2.93Å; F445-I448 HydrophobicContact CD2-CD1 4.27Å; F445-V578 HydrophobicContact CB-CG1 4.2Å; F445-V578 HydrophobicContact CD1-CG1 4.5Å; F445-V578 HydrophobicContact CG-CG1 4.26Å; F445-P579 HydrophobicContact CE1-CG 4.27Å; F445-P579 HydrophobicContact CE2-CG 3.72Å; F445-P579 HydrophobicContact CZ-CG 3.54Å; F445-L581 HydrophobicContact CE2-CD1 4.33Å; F445-I619 HydrophobicContact CE2-CG2 3.92Å; F445-I619 HydrophobicContact CZ-CG2 3.88Å; F445-F622 HydrophobicContact CE1-CB 3.76Å; F445-F622 HydrophobicContact CZ-CB 4.11Å; F445-Q623 HydrophobicContact CD1-CG 4Å; F445-Q623 HydrophobicContact CE1-CB 4.43Å; F445-Q623 HydrophobicContact CE1-CG 3.54Å; F445-Q623 HydrophobicContact CZ-CG 3.84Å; F445-Q623 PolarHBondContact O-NE2 2.69Å
446	K	92.3	Very high	94.2	Very high	29 Å²	29	14 Å²	14	13%	0.126	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-33.4	-175.3	81.1	167.2	-171.8	168	0	112.8	D404 H442 L443 Q623	D404-K446 IonicContact OD1-NZ 3.51Å; D404-K446 PolarHBondContact OD1-NZ 3.28Å; H442-K446 WeakPolarHBondContact O-CB 3.49Å; H442-K446 PolarHBondContact O-N 2.9Å; L443-K446 HydrophobicContact CD2-CD 4.26Å; K446-Q623 PolarHBondContact O-NE2 3.19Å
447	V	90.6	Very high	94.1	Very high	53 Å²	53	14.3 Å²	14.3	32%	0.321	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.8	-172.4	-61.5	0	0	0	0	114.3	V444 F445 P449 Y469	V444-V447 WeakPolarHBondContact O-CG2 3.28Å; F445-V447 VanDerWaalsContact C-N 3.29Å; F445-V447 PolarHBondContact O-N 2.93Å; V447-P449 WeakPolarHBondContact O-CD 3.38Å; V447-P449 VanDerWaalsContact O-N 3.1Å; V447-Y469 HydrophobicContact CB-CD1 4.27Å; V447-Y469 HydrophobicContact CB-CE1 4.36Å; V447-Y469 HydrophobicContact CG2-CD1 3.66Å; V447-Y469 HydrophobicContact CG2-CE1 4.1Å
448	I	93.7	Very high	94	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.			trans	-62	114.5	-178.1	-50.6	169.9	0	0	0	109.5	F445 F453 I470 L581 Q623	F445-I448 HydrophobicContact CD2-CD1 4.27Å; I448-F453 HydrophobicContact CB-CZ 4.32Å; I448-F453 HydrophobicContact CG2-CE1 4.1Å; I448-F453 HydrophobicContact CG2-CE2 4.18Å; I448-F453 HydrophobicContact CG2-CZ 3.57Å; I448-I470 HydrophobicContact CG2-CG1 3.83Å; I448-L581 HydrophobicContact CD1-CD1 4.27Å; I448-L581 HydrophobicContact CD1-CD2 3.62Å; I448-Q623 PolarHBondContact O-NE2 2.96Å
449	P	91.7	Very high	93.7	Very high	9 Å²	9	19.3 Å²	19.3	6%	0.058	11%	0.105	C	C	.	.			trans	-76.8	142.8	178.2	32.1	-31.2	0	0	0	109.2	L361 V447 E451 E452 Y469	L361-P449 HydrophobicContact CD1-CB 4.4Å; V447-P449 WeakPolarHBondContact O-CD 3.38Å; V447-P449 VanDerWaalsContact O-N 3.1Å; P449-E451 PolarHBondContact O-N 2.98Å; P449-E452 HydrophobicContact CG-CG 4.15Å; P449-E452 PolarHBondContact O-N 3.47Å; P449-Y469 HydrophobicContact CG-CD2 3.75Å; P449-Y469 HydrophobicContact CG-CE2 4.09Å
450	Y	89.8	Confident	93.7	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-69.4	-6.9	-170	64.5	-91.8	0	0	0	114.5	H72 R75 H355 Q357 D358 I616	H72-Y450 HydrophobicContact CB-CD2 4.33Å; H72-Y450 HydrophobicContact CB-CE2 4.28Å; H72-Y450 AromaticContact CD2-CD2 3.78Å; H72-Y450 AromaticContact CD2-CE2 3.91Å; H72-Y450 WeakPolarHBondContact O-CE2 3.38Å; R75-Y450 PolarHBondContact NH1-OH 3.43Å; H355-Y450 AromaticContact ND1-CZ 3.63Å; H355-Y450 PolarHBondContact ND1-OH 3.4Å; Q357-Y450 VanDerWaalsContact OE1-CD1 3.28Å; D358-Y450 VanDerWaalsContact CG-OH 3.31Å; D358-Y450 PolarHBondContact OD1-OH 2.88Å; D358-Y450 PolarHBondContact OD2-OH 3.02Å; Y450-I616 HydrophobicContact CG-CG2 4.24Å
451	E	90.2	Very high	93.6	Very high	60 Å²	60	30 Å²	30	28%	0.28	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-66.3	-34.6	173.8	-66.3	156.6	117.1	0	0	112.3	R75 L361 P449 F453 F454	R75-E451 IonicContact CZ-OE1 3.19Å; R75-E451 IonicContact NE-OE1 3.76Å; R75-E451 PolarHBondContact NE-OE1 3.11Å; R75-E451 IonicContact NH2-OE1 2.66Å; R75-E451 PolarHBondContact NH2-OE1 3.29Å; R75-E451 IonicContact NH2-OE2 2.82Å; L361-E451 WeakPolarHBondContact CD1-OE2 3.28Å; P449-E451 PolarHBondContact O-N 2.98Å; E451-F453 PolarHBondContact O-N 2.93Å; E451-F454 PolarHBondContact O-N 3.34Å
452	E	94.7	Very high	93.5	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.047	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-66.4	-17.7	-179.6	-67.8	-162.6	177.4	0	0	113.4	P449 F454 W458 T467 P468 Y469 I470	P449-E452 HydrophobicContact CG-CG 4.15Å; P449-E452 PolarHBondContact O-N 3.47Å; E452-F454 VanDerWaalsContact C-N 3.27Å; E452-F454 PolarHBondContact O-N 3Å; E452-W458 VanDerWaalsContact O-CZ3 3.28Å; E452-W458 WeakPolarHBondContact O-CZ3 3.48Å; E452-T467 HydrophobicContact CB-CG2 3.77Å; E452-T467 VanDerWaalsContact CD-C 3.45Å; E452-T467 HydrophobicContact CG-CG2 4.05Å; E452-T467 VanDerWaalsContact OE1-C 3.22Å; E452-T467 WeakPolarHBondContact OE1-CA 3.31Å; E452-T467 VanDerWaalsContact OE2-C 3.3Å; E452-T467 WeakPolarHBondContact OE2-CA 3.45Å; E452-T467 WeakPolarHBondContact OE2-CB 3.27Å; E452-P468 WeakPolarHBondContact OE1-CD 3.41Å; E452-P468 WeakPolarHBondContact OE1-CG 3.36Å; E452-P468 VanDerWaalsContact OE1-N 3.11Å; E452-Y469 VanDerWaalsContact OE1-CD2 3.25Å; E452-Y469 WeakPolarHBondContact OE1-CD2 3.49Å; E452-Y469 PolarHBondContact OE1-N 3.17Å; E452-Y469 PolarHBondContact OE2-N 3.17Å; E452-I470 HydrophobicContact CB-CD1 3.6Å; E452-I470 HydrophobicContact CB-CG1 4.13Å; E452-I470 WeakPolarHBondContact OE2-CB 3.28Å; E452-I470 VanDerWaalsContact OE2-CG1 3.24Å; E452-I470 WeakPolarHBondContact OE2-CG1 3.38Å; E452-I470 PolarHBondContact OE2-N 2.75Å
453	F	95.6	Very high	93.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-79.2	-2	-179.9	-61.7	-48.7	0	0	0	114.4	I448 E451 I470 L581 L585 L588 I616 I619	I448-F453 HydrophobicContact CB-CZ 4.32Å; I448-F453 HydrophobicContact CG2-CE1 4.1Å; I448-F453 HydrophobicContact CG2-CE2 4.18Å; I448-F453 HydrophobicContact CG2-CZ 3.57Å; E451-F453 PolarHBondContact O-N 2.93Å; F453-I470 HydrophobicContact CD1-CD1 3.8Å; F453-I470 HydrophobicContact CE1-CD1 3.77Å; F453-I470 HydrophobicContact CE1-CG1 4.06Å; F453-L581 HydrophobicContact CE1-CD1 4.04Å; F453-L581 HydrophobicContact CZ-CD1 4.27Å; F453-L585 HydrophobicContact CD1-CD2 3.88Å; F453-L585 HydrophobicContact CE1-CD2 4.01Å; F453-L588 HydrophobicContact CB-CD1 3.79Å; F453-L588 HydrophobicContact CD1-CD1 3.84Å; F453-L588 HydrophobicContact CG-CD1 4.04Å; F453-I616 HydrophobicContact CB-CD1 4.35Å; F453-I616 HydrophobicContact CB-CG1 4.26Å; F453-I616 HydrophobicContact CD2-CG1 4.06Å; F453-I619 HydrophobicContact CD1-CD1 4.3Å; F453-I619 HydrophobicContact CD2-CD1 4.21Å; F453-I619 HydrophobicContact CE1-CD1 3.97Å; F453-I619 HydrophobicContact CE2-CD1 3.85Å; F453-I619 HydrophobicContact CE2-CG2 4.07Å; F453-I619 HydrophobicContact CG-CD1 4.44Å; F453-I619 HydrophobicContact CZ-CD1 3.73Å; F453-I619 HydrophobicContact CZ-CG2 4.04Å
454	F	92.8	Very high	93.5	Very high	31 Å²	31	39.4 Å²	39.4	14%	0.136	21%	0.207	C	C	.	.	S	Bend	trans	-99.6	151.5	178.7	-69	-89.1	0	0	0	113	H72 V76 E451 E452 Q456 I612 I616	H72-F454 WeakPolarHBondContact O-CE2 3.49Å; H72-F454 WeakPolarHBondContact O-CZ 3.33Å; V76-F454 HydrophobicContact CG2-CD1 3.52Å; V76-F454 HydrophobicContact CG2-CE1 3.8Å; V76-F454 HydrophobicContact CG2-CG 4.21Å; E451-F454 PolarHBondContact O-N 3.34Å; E452-F454 VanDerWaalsContact C-N 3.27Å; E452-F454 PolarHBondContact O-N 3Å; F454-Q456 PolarHBondContact O-N 3.23Å; F454-I612 HydrophobicContact CD1-CD1 4.16Å; F454-I612 HydrophobicContact CD1-CG2 4.03Å; F454-I612 HydrophobicContact CE1-CB 4.25Å; F454-I612 HydrophobicContact CE1-CD1 4.19Å; F454-I612 HydrophobicContact CE1-CG2 3.51Å; F454-I612 HydrophobicContact CE2-CG2 4.36Å; F454-I612 HydrophobicContact CZ-CG2 3.7Å; F454-I616 HydrophobicContact CD2-CD1 4.45Å; F454-I616 HydrophobicContact CE2-CD1 3.53Å; F454-I616 HydrophobicContact CZ-CD1 3.71Å
455	G	91.6	Very high	93.5	Very high	37 Å²	37	47.1 Å²	47.1	38%	0.381	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	9.4	170.1	0	0	0	0	0	115.9	G457 K460 E592	G455-G457 VanDerWaalsContact C-N 3.35Å; G455-G457 PolarHBondContact O-N 3.18Å; G455-K460 WeakPolarHBondContact O-CE 3.32Å; G455-K460 PolarHBondContact O-NZ 2.8Å; G455-E592 PolarHBondContact N-OE1 2.59Å
456	Q	93.9	Very high	93.3	Very high	20 Å²	20	53.9 Å²	53.9	9%	0.093	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	41.8	-175.2	-44.1	170.6	-69.8	0	0	113.4	F454 W458 M459 K460 E592 E593	F454-Q456 PolarHBondContact O-N 3.23Å; Q456-W458 HydrophobicContact CB-CH2 4.44Å; Q456-W458 HydrophobicContact CB-CZ2 4.36Å; Q456-W458 PolarHBondContact O-N 3.21Å; Q456-W458 VanDerWaalsContact O-N 3.16Å; Q456-M459 HydrophobicContact CB-CB 4.23Å; Q456-M459 HydrophobicContact CB-CG 4.28Å; Q456-M459 HydrophobicContact CB-SD 4.07Å; Q456-M459 HydrophobicContact CG-SD 4.39Å; Q456-M459 WeakPolarHBondContact O-CB 3.39Å; Q456-M459 PolarHBondContact O-N 2.9Å; Q456-K460 WeakPolarHBondContact O-CE 3.34Å; Q456-K460 VanDerWaalsContact OE1-NZ 3.14Å; Q456-E592 HydrophobicContact CG-CB 3.55Å; Q456-E592 HydrophobicContact CG-CG 3.84Å; Q456-E593 PolarHBondContact NE2-OE1 2.79Å
457	G	94.1	Very high	93.5	Very high	5 Å²	5	52.6 Å²	52.6	5%	0.052	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-52.6	-38.6	-175.5	0	0	0	0	0	113.8	G455 M459 K460 K463	G455-G457 VanDerWaalsContact C-N 3.35Å; G455-G457 PolarHBondContact O-N 3.18Å; G457-M459 PolarHBondContact O-N 2.77Å; G457-M459 VanDerWaalsContact O-N 3.12Å; G457-K460 PolarHBondContact O-N 3.34Å; G457-K460 VanDerWaalsContact O-N 3.1Å; G457-K463 WeakPolarHBondContact O-CA 3.18Å; G457-K463 WeakPolarHBondContact O-CB 3.27Å
458	W	95.6	Very high	93.7	Very high	31 Å²	31	53 Å²	53	12%	0.117	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-64	-14.1	177.4	64.2	94.5	0	0	0	114.7	E452 Q456 K463 T467 I470 L585 L588 A589	E452-W458 VanDerWaalsContact O-CZ3 3.28Å; E452-W458 WeakPolarHBondContact O-CZ3 3.48Å; Q456-W458 HydrophobicContact CB-CH2 4.44Å; Q456-W458 HydrophobicContact CB-CZ2 4.36Å; Q456-W458 PolarHBondContact O-N 3.21Å; Q456-W458 VanDerWaalsContact O-N 3.16Å; W458-K463 WeakPolarHBondContact O-CD 3.43Å; W458-T467 VanDerWaalsContact CA-OG1 3.28Å; W458-T467 WeakPolarHBondContact CA-OG1 3.36Å; W458-T467 HydrophobicContact CE3-CG2 4.5Å; W458-T467 PolarHBondContact N-OG1 2.92Å; W458-I470 HydrophobicContact CB-CG2 3.91Å; W458-I470 HydrophobicContact CD2-CD1 4.49Å; W458-I470 HydrophobicContact CE3-CD1 3.91Å; W458-I470 HydrophobicContact CG-CG2 4.43Å; W458-L585 HydrophobicContact CD2-CD2 4.07Å; W458-L585 HydrophobicContact CE3-CD2 4.23Å; W458-L585 HydrophobicContact CG-CD1 4.43Å; W458-L585 HydrophobicContact CH2-CD2 4.29Å; W458-L585 HydrophobicContact CZ2-CB 4.13Å; W458-L585 HydrophobicContact CZ2-CD2 4.11Å; W458-L585 HydrophobicContact CZ3-CD2 4.35Å; W458-L588 HydrophobicContact CH2-CB 3.86Å; W458-L588 HydrophobicContact CH2-CD1 4.36Å; W458-L588 HydrophobicContact CZ2-CB 4.18Å; W458-A589 HydrophobicContact CZ2-CB 4.49Å
459	M	94	Very high	93.8	Very high	75 Å²	75	57.1 Å²	57.1	37%	0.369	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-102.3	2.8	178.3	-56.9	179.5	66.6	0	0	113.3	L190 Q456 G457 A589	L190-M459 HydrophobicContact CD1-CE 3.94Å; Q456-M459 HydrophobicContact CB-CB 4.23Å; Q456-M459 HydrophobicContact CB-CG 4.28Å; Q456-M459 HydrophobicContact CB-SD 4.07Å; Q456-M459 HydrophobicContact CG-SD 4.39Å; Q456-M459 WeakPolarHBondContact O-CB 3.39Å; Q456-M459 PolarHBondContact O-N 2.9Å; G457-M459 PolarHBondContact O-N 2.77Å; G457-M459 VanDerWaalsContact O-N 3.12Å; M459-A589 HydrophobicContact SD-CB 3.84Å
460	K	94	Very high	94.1	Very high	72 Å²	72	56.8 Å²	56.8	31%	0.313	28%	0.28	S	S	.	.	S	Bend	trans	-95.4	168	-179.7	-47.3	-49.8	176.1	-165.5	0	111.2	G455 Q456 G457 D462 K463	G455-K460 WeakPolarHBondContact O-CE 3.32Å; G455-K460 PolarHBondContact O-NZ 2.8Å; Q456-K460 WeakPolarHBondContact O-CE 3.34Å; Q456-K460 VanDerWaalsContact OE1-NZ 3.14Å; G457-K460 PolarHBondContact O-N 3.34Å; G457-K460 VanDerWaalsContact O-N 3.1Å; K460-D462 VanDerWaalsContact C-N 3.29Å; K460-D462 WeakPolarHBondContact CB-OD1 3.36Å; K460-D462 PolarHBondContact O-N 3.17Å; K460-K463 VanDerWaalsContact O-CB 3.27Å; K460-K463 WeakPolarHBondContact O-CB 3.42Å; K460-K463 WeakPolarHBondContact O-CG 3.38Å; K460-K463 PolarHBondContact O-N 3.1Å
461	N	94.1	Very high	94.4	Very high	171 Å²	171	58.2 Å²	58.2	91%	0.914	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-36	-179.4	-64.3	-8.9	0	0	0	111.7	K463	N461-K463 VanDerWaalsContact C-N 3.29Å; N461-K463 PolarHBondContact O-N 3.38Å
462	D	94.8	Very high	94.7	Very high	55 Å²	55	58.1 Å²	58.1	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	22.1	177.8	52.7	-7.1	0	0	0	112.9	K460 N464 E465 R466	K460-D462 VanDerWaalsContact C-N 3.29Å; K460-D462 WeakPolarHBondContact CB-OD1 3.36Å; K460-D462 PolarHBondContact O-N 3.17Å; D462-N464 PolarHBondContact O-N 3.25Å; D462-N464 VanDerWaalsContact O-N 3.09Å; D462-E465 PolarHBondContact O-N 3.36Å; D462-R466 PolarHBondContact O-N 3.14Å; D462-R466 WeakPolarHBondContact OD1-CD 3.4Å; D462-R466 IonicContact OD1-CZ 4Å; D462-R466 IonicContact OD1-NE 3.97Å; D462-R466 PolarHBondContact OD1-NE 2.94Å; D462-R466 IonicContact OD1-NH2 3.21Å; D462-R466 IonicContact OD2-CZ 2.71Å; D462-R466 IonicContact OD2-NE 2.62Å; D462-R466 PolarHBondContact OD2-NE 3.31Å; D462-R466 IonicContact OD2-NH2 2.75Å; D462-R466 PolarHBondContact OD2-NH2 2.97Å
463	K	94.9	Very high	94.7	Very high	53 Å²	53	58.1 Å²	58.1	23%	0.23	29%	0.287	C	S	.	.	H	α-helix	trans	-54	-28.5	-178.6	59.8	-176.4	-173.3	175.7	0	115.6	G457 W458 K460 N461 E465 T467 M471	G457-K463 WeakPolarHBondContact O-CA 3.18Å; G457-K463 WeakPolarHBondContact O-CB 3.27Å; W458-K463 WeakPolarHBondContact O-CD 3.43Å; K460-K463 VanDerWaalsContact O-CB 3.27Å; K460-K463 WeakPolarHBondContact O-CB 3.42Å; K460-K463 WeakPolarHBondContact O-CG 3.38Å; K460-K463 PolarHBondContact O-N 3.1Å; N461-K463 VanDerWaalsContact C-N 3.29Å; N461-K463 PolarHBondContact O-N 3.38Å; K463-E465 VanDerWaalsContact C-N 3.3Å; K463-T467 CarbonylContact O-C 3.53Å; K463-T467 WeakPolarHBondContact O-CA 3.42Å; K463-T467 PolarHBondContact O-N 2.83Å; K463-T467 PolarHBondContact O-OG1 2.71Å; K463-M471 HydrophobicContact CB-CG 4.43Å; K463-M471 HydrophobicContact CB-SD 4.29Å; K463-M471 HydrophobicContact CD-CE 4.15Å; K463-M471 HydrophobicContact CD-SD 3.77Å; K463-M471 HydrophobicContact CG-CG 4.42Å; K463-M471 HydrophobicContact CG-SD 4.03Å; K463-M471 WeakPolarHBondContact O-CG 3.27Å
464	N	94.1	Very high	94.7	Very high	107 Å²	107	60.2 Å²	60.2	57%	0.572	30%	0.3	S	S	*	.	H	α-helix	trans	-73	-26.3	178.3	-62.5	-18.7	0	0	0	111.9	D462	D462-N464 PolarHBondContact O-N 3.25Å; D462-N464 VanDerWaalsContact O-N 3.09Å
465	E	94.4	Very high	94.9	Very high	168 Å²	168	64.8 Å²	64.8	79%	0.785	32%	0.319	S	S	*	.	H	α-helix	trans	-92.2	-39.6	177.1	-64.4	167.8	-152.2	0	0	111	D462 K463	D462-E465 PolarHBondContact O-N 3.36Å; K463-E465 VanDerWaalsContact C-N 3.3Å
466	R	92.3	Very high	95.1	Very high	145 Å²	145	63.9 Å²	63.9	55%	0.547	31%	0.305	S	S	.	.	H	α-helix	trans	-72	-35.4	177.4	-67.9	-170.6	-171.5	-98	-17.4	114.1	D462	D462-R466 PolarHBondContact O-N 3.14Å; D462-R466 WeakPolarHBondContact OD1-CD 3.4Å; D462-R466 IonicContact OD1-CZ 4Å; D462-R466 IonicContact OD1-NE 3.97Å; D462-R466 PolarHBondContact OD1-NE 2.94Å; D462-R466 IonicContact OD1-NH2 3.21Å; D462-R466 IonicContact OD2-CZ 2.71Å; D462-R466 IonicContact OD2-NE 2.62Å; D462-R466 PolarHBondContact OD2-NE 3.31Å; D462-R466 IonicContact OD2-NH2 2.75Å; D462-R466 PolarHBondContact OD2-NH2 2.97Å
467	T	95.8	Very high	95.2	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.012	31%	0.307	C	S	.	.			trans	-141	54.2	-169.9	53.5	0	0	0	0	113.2	E452 W458 K463 Y469 I470 M471	E452-T467 HydrophobicContact CB-CG2 3.77Å; E452-T467 VanDerWaalsContact CD-C 3.45Å; E452-T467 HydrophobicContact CG-CG2 4.05Å; E452-T467 VanDerWaalsContact OE1-C 3.22Å; E452-T467 WeakPolarHBondContact OE1-CA 3.31Å; E452-T467 VanDerWaalsContact OE2-C 3.3Å; E452-T467 WeakPolarHBondContact OE2-CA 3.45Å; E452-T467 WeakPolarHBondContact OE2-CB 3.27Å; W458-T467 VanDerWaalsContact CA-OG1 3.28Å; W458-T467 WeakPolarHBondContact CA-OG1 3.36Å; W458-T467 HydrophobicContact CE3-CG2 4.5Å; W458-T467 PolarHBondContact N-OG1 2.92Å; K463-T467 CarbonylContact O-C 3.53Å; K463-T467 WeakPolarHBondContact O-CA 3.42Å; K463-T467 PolarHBondContact O-N 2.83Å; K463-T467 PolarHBondContact O-OG1 2.71Å; T467-Y469 VanDerWaalsContact C-N 3.27Å; T467-Y469 PolarHBondContact O-N 3.05Å; T467-I470 HydrophobicContact CG2-CD1 4.33Å; T467-M471 WeakPolarHBondContact O-CB 3.49Å; T467-M471 VanDerWaalsContact O-CG 3.25Å; T467-M471 WeakPolarHBondContact O-CG 3.35Å; T467-M471 PolarHBondContact O-N 3.31Å
468	P	95.7	Very high	95.2	Very high	60 Å²	60	65.4 Å²	65.4	39%	0.39	31%	0.311	S	S	.	.	H	α-helix	trans	-55.9	-34.5	-177.9	22.9	-34.8	0	0	0	114.2	E452 M471 K472	E452-P468 WeakPolarHBondContact OE1-CD 3.41Å; E452-P468 WeakPolarHBondContact OE1-CG 3.36Å; E452-P468 VanDerWaalsContact OE1-N 3.11Å; P468-M471 PolarHBondContact O-N 2.72Å; P468-K472 VanDerWaalsContact O-CB 3.31Å; P468-K472 WeakPolarHBondContact O-CB 3.45Å; P468-K472 PolarHBondContact O-N 2.99Å
469	Y	95.6	Very high	95.2	Very high	88 Å²	88	66 Å²	66	35%	0.345	32%	0.317	S	S	.	.	H	α-helix	trans	-80.5	-39.4	-175.8	-64	-78.8	0	0	0	113.1	V447 P449 E452 T467 M471 K472 T473	V447-Y469 HydrophobicContact CB-CD1 4.27Å; V447-Y469 HydrophobicContact CB-CE1 4.36Å; V447-Y469 HydrophobicContact CG2-CD1 3.66Å; V447-Y469 HydrophobicContact CG2-CE1 4.1Å; P449-Y469 HydrophobicContact CG-CD2 3.75Å; P449-Y469 HydrophobicContact CG-CE2 4.09Å; E452-Y469 VanDerWaalsContact OE1-CD2 3.25Å; E452-Y469 WeakPolarHBondContact OE1-CD2 3.49Å; E452-Y469 PolarHBondContact OE1-N 3.17Å; E452-Y469 PolarHBondContact OE2-N 3.17Å; T467-Y469 VanDerWaalsContact C-N 3.27Å; T467-Y469 PolarHBondContact O-N 3.05Å; Y469-M471 VanDerWaalsContact C-N 3.29Å; Y469-M471 PolarHBondContact O-N 2.74Å; Y469-K472 PolarHBondContact O-N 3.27Å; Y469-T473 WeakPolarHBondContact O-CB 3.13Å; Y469-T473 PolarHBondContact O-N 3.43Å; Y469-T473 PolarHBondContact O-OG1 3.12Å
470	I	97.6	Very high	95.3	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-60.4	-42.2	166.9	-68.9	170.2	0	0	0	109.6	I448 E452 F453 W458 T467 T473 T474 L581 L585	I448-I470 HydrophobicContact CG2-CG1 3.83Å; E452-I470 HydrophobicContact CB-CD1 3.6Å; E452-I470 HydrophobicContact CB-CG1 4.13Å; E452-I470 WeakPolarHBondContact OE2-CB 3.28Å; E452-I470 VanDerWaalsContact OE2-CG1 3.24Å; E452-I470 WeakPolarHBondContact OE2-CG1 3.38Å; E452-I470 PolarHBondContact OE2-N 2.75Å; F453-I470 HydrophobicContact CD1-CD1 3.8Å; F453-I470 HydrophobicContact CE1-CD1 3.77Å; F453-I470 HydrophobicContact CE1-CG1 4.06Å; W458-I470 HydrophobicContact CB-CG2 3.91Å; W458-I470 HydrophobicContact CD2-CD1 4.49Å; W458-I470 HydrophobicContact CE3-CD1 3.91Å; W458-I470 HydrophobicContact CG-CG2 4.43Å; T467-I470 HydrophobicContact CG2-CD1 4.33Å; I470-T473 PolarHBondContact O-N 3.45Å; I470-T474 WeakPolarHBondContact O-CB 3.28Å; I470-T474 PolarHBondContact O-N 2.92Å; I470-T474 PolarHBondContact O-OG1 3.16Å; I470-L581 HydrophobicContact CG1-CD2 4.34Å; I470-L581 HydrophobicContact CG2-CD2 4.35Å; I470-L585 HydrophobicContact CD1-CD2 3.9Å; I470-L585 HydrophobicContact CG2-CD1 3.75Å
471	M	96.6	Very high	95.4	Very high	32 Å²	32	59.1 Å²	59.1	16%	0.158	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-37.8	178	-71.1	-55.7	-51.4	0	0	112.7	K463 T467 P468 Y469 T474 K475	K463-M471 HydrophobicContact CB-CG 4.43Å; K463-M471 HydrophobicContact CB-SD 4.29Å; K463-M471 HydrophobicContact CD-CE 4.15Å; K463-M471 HydrophobicContact CD-SD 3.77Å; K463-M471 HydrophobicContact CG-CG 4.42Å; K463-M471 HydrophobicContact CG-SD 4.03Å; K463-M471 WeakPolarHBondContact O-CG 3.27Å; T467-M471 WeakPolarHBondContact O-CB 3.49Å; T467-M471 VanDerWaalsContact O-CG 3.25Å; T467-M471 WeakPolarHBondContact O-CG 3.35Å; T467-M471 PolarHBondContact O-N 3.31Å; P468-M471 PolarHBondContact O-N 2.72Å; Y469-M471 VanDerWaalsContact C-N 3.29Å; Y469-M471 PolarHBondContact O-N 2.74Å; M471-T474 PolarHBondContact O-N 2.7Å; M471-K475 WeakPolarHBondContact O-CB 3.49Å; M471-K475 PolarHBondContact O-N 2.93Å
472	K	95.5	Very high	95.5	Very high	58 Å²	58	52.4 Å²	52.4	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-45.1	171.7	-178	176.7	176.2	178.8	0	111.3	E410 V444 P468 Y469 K475 H476	E410-K472 IonicContact OE1-NZ 2.79Å; E410-K472 PolarHBondContact OE1-NZ 2.8Å; E410-K472 IonicContact OE2-NZ 2.86Å; E410-K472 PolarHBondContact OE2-NZ 3.3Å; V444-K472 HydrophobicContact CG1-CG 4.25Å; P468-K472 VanDerWaalsContact O-CB 3.31Å; P468-K472 WeakPolarHBondContact O-CB 3.45Å; P468-K472 PolarHBondContact O-N 2.99Å; Y469-K472 PolarHBondContact O-N 3.27Å; K472-K475 PolarHBondContact O-N 2.77Å; K472-H476 PolarHBondContact O-N 2.87Å
473	T	96.1	Very high	95.6	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-46.6	175.8	-53.7	0	0	0	0	111.6	V444 Y469 I470 K475 H476 F477 L581	V444-T473 HydrophobicContact CG2-CG2 4.01Å; V444-T473 PolarHBondContact O-OG1 3.47Å; Y469-T473 WeakPolarHBondContact O-CB 3.13Å; Y469-T473 PolarHBondContact O-N 3.43Å; Y469-T473 PolarHBondContact O-OG1 3.12Å; I470-T473 PolarHBondContact O-N 3.45Å; T473-K475 VanDerWaalsContact C-N 3.29Å; T473-K475 PolarHBondContact O-N 3.1Å; T473-H476 PolarHBondContact O-N 2.84Å; T473-F477 PolarHBondContact O-N 3.07Å; T473-F477 VanDerWaalsContact O-N 3.13Å; T473-L581 HydrophobicContact CG2-CD2 4Å
474	T	96	Very high	95.7	Very high	44 Å²	44	47.6 Å²	47.6	27%	0.27	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-35.3	177.4	-52.3	0	0	0	0	112	I470 M471 N478	I470-T474 WeakPolarHBondContact O-CB 3.28Å; I470-T474 PolarHBondContact O-N 2.92Å; I470-T474 PolarHBondContact O-OG1 3.16Å; M471-T474 PolarHBondContact O-N 2.7Å; T474-N478 PolarHBondContact O-N 2.88Å
475	K	95.3	Very high	95.9	Very high	127 Å²	127	42.5 Å²	42.5	55%	0.552	20%	0.198	S	C	*	.	H	α-helix	trans	-67.4	-48.5	173.3	178.4	176.6	169.9	180	0	111.2	M471 K472 T473 F477 N478 D479	M471-K475 WeakPolarHBondContact O-CB 3.49Å; M471-K475 PolarHBondContact O-N 2.93Å; K472-K475 PolarHBondContact O-N 2.77Å; T473-K475 VanDerWaalsContact C-N 3.29Å; T473-K475 PolarHBondContact O-N 3.1Å; K475-F477 VanDerWaalsContact C-N 3.3Å; K475-F477 PolarHBondContact O-N 2.86Å; K475-N478 PolarHBondContact O-N 2.75Å; K475-D479 WeakPolarHBondContact CE-OD2 3.45Å; K475-D479 WeakPolarHBondContact CG-OD2 3.41Å; K475-D479 IonicContact NZ-OD2 3.37Å; K475-D479 PolarHBondContact O-N 3.4Å
476	H	95.7	Very high	96	Very high	18 Å²	18	34.7 Å²	34.7	8%	0.083	16%	0.162	C	C	.	.	H	α-helix	trans	-54.4	-47	-179.9	-168.7	56.2	0	0	0	111.7	D441 V444 K472 T473 N478 D479 I480	D441-H476 IonicContact OD1-CD2 3.28Å; V444-H476 HydrophobicContact CG1-CB 4.08Å; V444-H476 HydrophobicContact CG2-CB 4.36Å; K472-H476 PolarHBondContact O-N 2.87Å; T473-H476 PolarHBondContact O-N 2.84Å; H476-N478 VanDerWaalsContact C-N 3.31Å; H476-N478 PolarHBondContact O-N 3.31Å; H476-D479 PolarHBondContact O-N 3.01Å; H476-I480 WeakPolarHBondContact O-CG1 3.38Å; H476-I480 PolarHBondContact O-N 2.97Å
477	F	97.1	Very high	96.2	Very high	31 Å²	31	28.6 Å²	28.6	14%	0.136	14%	0.14	C	C	.	.	H	α-helix	trans	-54.2	-44.5	175.3	-178.8	-76.9	0	0	0	113.2	T473 K475 S481 N518 L521 E522 Y580	T473-F477 PolarHBondContact O-N 3.07Å; T473-F477 VanDerWaalsContact O-N 3.13Å; K475-F477 VanDerWaalsContact C-N 3.3Å; K475-F477 PolarHBondContact O-N 2.86Å; F477-S481 WeakPolarHBondContact O-CB 3.36Å; F477-S481 PolarHBondContact O-N 3.06Å; F477-S481 VanDerWaalsContact O-N 3.08Å; F477-S481 PolarHBondContact O-OG 2.92Å; F477-N518 WeakPolarHBondContact CD2-OD1 3.27Å; F477-L521 HydrophobicContact CE2-CB 4.45Å; F477-L521 HydrophobicContact CE2-CD2 4.37Å; F477-L521 HydrophobicContact CE2-CG 4.33Å; F477-L521 HydrophobicContact CZ-CD2 4.37Å; F477-L521 HydrophobicContact CZ-CG 4.18Å; F477-E522 VanDerWaalsContact CA-OE1 3.22Å; F477-E522 WeakPolarHBondContact CA-OE1 3.27Å; F477-E522 HydrophobicContact CB-CG 4.49Å; F477-E522 HydrophobicContact CD1-CG 4.32Å; F477-E522 HydrophobicContact CD2-CG 3.26Å; F477-E522 VanDerWaalsContact CD2-OE1 3.3Å; F477-E522 WeakPolarHBondContact CD2-OE1 3.37Å; F477-E522 HydrophobicContact CE1-CG 4.37Å; F477-E522 HydrophobicContact CE2-CB 4.4Å; F477-E522 HydrophobicContact CE2-CG 3.35Å; F477-E522 HydrophobicContact CG-CG 3.78Å; F477-E522 HydrophobicContact CZ-CG 3.92Å; F477-Y580 HydrophobicContact CD2-CE2 4.42Å; F477-Y580 HydrophobicContact CE2-CD2 4.02Å; F477-Y580 AromaticContact CE2-CE2 3.92Å; F477-Y580 HydrophobicContact CE2-CE2 3.92Å; F477-Y580 HydrophobicContact CZ-CE2 4.32Å
478	N	95.1	Very high	96.3	Very high	26 Å²	26	28.5 Å²	28.5	14%	0.139	14%	0.139	C	C	.	.	H	α-helix	trans	-73.3	-40.2	179.6	-80.5	-26.5	0	0	0	112.3	L195 T474 K475 H476 S481 N482	L195-N478 PolarHBondContact O-ND2 3.49Å; T474-N478 PolarHBondContact O-N 2.88Å; K475-N478 PolarHBondContact O-N 2.75Å; H476-N478 VanDerWaalsContact C-N 3.31Å; H476-N478 PolarHBondContact O-N 3.31Å; N478-S481 PolarHBondContact O-N 3.04Å; N478-N482 WeakPolarHBondContact O-CB 3.47Å; N478-N482 PolarHBondContact O-N 3.31Å; N478-N482 PolarHBondContact O-ND2 3.39Å; N478-N482 PolarHBondContact O-OD1 2.82Å
479	D	95.3	Very high	96.4	Very high	43 Å²	43	25.7 Å²	25.7	23%	0.23	12%	0.121	C	C	.	.	H	α-helix	trans	-63.7	-48.1	178	-70.2	-5.3	0	0	0	110.9	K475 H476 S481 N482 R483	K475-D479 WeakPolarHBondContact CE-OD2 3.45Å; K475-D479 WeakPolarHBondContact CG-OD2 3.41Å; K475-D479 IonicContact NZ-OD2 3.37Å; K475-D479 PolarHBondContact O-N 3.4Å; H476-D479 PolarHBondContact O-N 3.01Å; D479-S481 PolarHBondContact O-N 3.24Å; D479-N482 PolarHBondContact O-N 3.32Å; D479-R483 PolarHBondContact O-N 3.29Å
480	I	96.3	Very high	96.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-60.8	-45.6	174.7	-65.6	-62.1	0	0	0	110.9	L437 H476 N482 R483 I484 E522 L639	L437-I480 HydrophobicContact CD1-CD1 4Å; L437-I480 HydrophobicContact CD1-CG1 3.96Å; L437-I480 HydrophobicContact CD1-CG2 3.91Å; L437-I480 HydrophobicContact CD2-CG2 4.35Å; H476-I480 WeakPolarHBondContact O-CG1 3.38Å; H476-I480 PolarHBondContact O-N 2.97Å; I480-N482 VanDerWaalsContact C-N 3.29Å; I480-N482 PolarHBondContact O-N 3.25Å; I480-R483 WeakPolarHBondContact O-CB 3.37Å; I480-R483 PolarHBondContact O-N 3.05Å; I480-R483 VanDerWaalsContact O-N 3.17Å; I480-I484 HydrophobicContact CG2-CD1 3.78Å; I480-I484 HydrophobicContact CG2-CG1 4.45Å; I480-I484 WeakPolarHBondContact O-CD1 3.41Å; I480-I484 WeakPolarHBondContact O-CG1 3.15Å; I480-I484 PolarHBondContact O-N 3.49Å; I480-E522 WeakPolarHBondContact CG2-OE2 3.48Å; I480-L639 HydrophobicContact CD1-CB 4.39Å; I480-L639 HydrophobicContact CD1-CD2 4.35Å
481	S	95.9	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-35	176.9	-62.6	0	0	0	0	112.7	F477 N478 D479 A485 S526 R529	F477-S481 WeakPolarHBondContact O-CB 3.36Å; F477-S481 PolarHBondContact O-N 3.06Å; F477-S481 VanDerWaalsContact O-N 3.08Å; F477-S481 PolarHBondContact O-OG 2.92Å; N478-S481 PolarHBondContact O-N 3.04Å; D479-S481 PolarHBondContact O-N 3.24Å; S481-A485 WeakPolarHBondContact O-CB 3.42Å; S481-A485 PolarHBondContact O-N 3.5Å; S481-A485 VanDerWaalsContact O-N 3.13Å; S481-S526 VanDerWaalsContact CA-OG 3.27Å; S481-S526 WeakPolarHBondContact CA-OG 3.39Å; S481-S526 VanDerWaalsContact CB-OG 3.25Å; S481-S526 WeakPolarHBondContact CB-OG 3.48Å; S481-S526 PolarHBondContact O-OG 3.19Å; S481-R529 PolarHBondContact O-NH1 3.37Å; S481-R529 VanDerWaalsContact O-NH1 3.09Å
482	N	95.6	Very high	96.2	Very high	30 Å²	30	32.7 Å²	32.7	16%	0.16	16%	0.157	C	C	.	.	H	α-helix	trans	-69.6	-41	173.2	-67.6	-17.7	0	0	0	111.8	N478 D479 I480 A485 S486 R529 V645	N478-N482 WeakPolarHBondContact O-CB 3.47Å; N478-N482 PolarHBondContact O-N 3.31Å; N478-N482 PolarHBondContact O-ND2 3.39Å; N478-N482 PolarHBondContact O-OD1 2.82Å; D479-N482 PolarHBondContact O-N 3.32Å; I480-N482 VanDerWaalsContact C-N 3.29Å; I480-N482 PolarHBondContact O-N 3.25Å; N482-A485 PolarHBondContact O-N 3.46Å; N482-S486 WeakPolarHBondContact O-CB 3.44Å; N482-S486 PolarHBondContact O-N 3.25Å; N482-S486 PolarHBondContact O-OG 3.03Å; N482-R529 VanDerWaalsContact OD1-CZ 3.29Å; N482-R529 PolarHBondContact OD1-NH1 3.43Å; N482-R529 PolarHBondContact OD1-NH2 2.96Å; N482-V645 HydrophobicContact CB-CG1 3.62Å
483	R	96.1	Very high	96.2	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-46.7	172.6	166.5	154.2	-80.3	-71.5	-0.3	112	D479 I480 A485 S486 E487 Y638 D641 T644 V645	D479-R483 PolarHBondContact O-N 3.29Å; I480-R483 WeakPolarHBondContact O-CB 3.37Å; I480-R483 PolarHBondContact O-N 3.05Å; I480-R483 VanDerWaalsContact O-N 3.17Å; R483-A485 VanDerWaalsContact C-N 3.34Å; R483-A485 PolarHBondContact O-N 2.94Å; R483-S486 PolarHBondContact O-N 2.87Å; R483-E487 WeakPolarHBondContact O-CB 3.38Å; R483-E487 PolarHBondContact O-N 3.41Å; R483-Y638 VanDerWaalsContact CD-O 3.24Å; R483-Y638 WeakPolarHBondContact CD-O 3.45Å; R483-Y638 PolarHBondContact NE-O 2.76Å; R483-Y638 PolarHBondContact NH1-O 3.09Å; R483-Y638 PolarHBondContact NH1-OH 2.73Å; R483-D641 VanDerWaalsContact CZ-O 3.26Å; R483-D641 PolarHBondContact NE-O 3.06Å; R483-D641 PolarHBondContact NH2-O 2.88Å; R483-T644 PolarHBondContact NH2-OG1 2.92Å; R483-V645 HydrophobicContact CB-CG2 4.12Å
484	I	97.6	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-45.7	175.7	-66.2	157.2	0	0	0	111.2	I480 I488 W504 I523	I480-I484 HydrophobicContact CG2-CD1 3.78Å; I480-I484 HydrophobicContact CG2-CG1 4.45Å; I480-I484 WeakPolarHBondContact O-CD1 3.41Å; I480-I484 WeakPolarHBondContact O-CG1 3.15Å; I480-I484 PolarHBondContact O-N 3.49Å; I484-I488 HydrophobicContact CG2-CD1 4.02Å; I484-I488 WeakPolarHBondContact O-CD1 3.5Å; I484-I488 WeakPolarHBondContact O-CG1 3.31Å; I484-I488 PolarHBondContact O-N 3.11Å; I484-W504 HydrophobicContact CB-CZ2 4.47Å; I484-W504 HydrophobicContact CD1-CE3 4.33Å; I484-W504 HydrophobicContact CD1-CH2 4.4Å; I484-W504 HydrophobicContact CD1-CZ3 4.14Å; I484-W504 HydrophobicContact CG1-CD2 3.97Å; I484-W504 HydrophobicContact CG1-CE3 3.93Å; I484-W504 HydrophobicContact CG1-CH2 3.63Å; I484-W504 HydrophobicContact CG1-CZ2 3.66Å; I484-W504 HydrophobicContact CG1-CZ3 3.76Å; I484-W504 HydrophobicContact CG2-CD2 4.19Å; I484-W504 HydrophobicContact CG2-CG 4.21Å; I484-I523 HydrophobicContact CD1-CB 4.39Å; I484-I523 HydrophobicContact CD1-CG1 3.6Å
485	A	97.5	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.3	-38	179.6	0	0	0	0	0	113.2	S481 N482 R483 L489 I532 L651	S481-A485 WeakPolarHBondContact O-CB 3.42Å; S481-A485 PolarHBondContact O-N 3.5Å; S481-A485 VanDerWaalsContact O-N 3.13Å; N482-A485 PolarHBondContact O-N 3.46Å; R483-A485 VanDerWaalsContact C-N 3.34Å; R483-A485 PolarHBondContact O-N 2.94Å; A485-L489 WeakPolarHBondContact O-CB 3.2Å; A485-L489 PolarHBondContact O-N 3.03Å; A485-L489 VanDerWaalsContact O-N 3.16Å; A485-I532 HydrophobicContact CB-CD1 3.9Å; A485-L651 HydrophobicContact CB-CD1 4.05Å; A485-L651 HydrophobicContact CB-CD2 3.92Å
486	S	97	Very high	96.5	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-44.7	177.4	-54.4	0	0	0	0	111.1	N482 R483 I488 L489 H490 M646	N482-S486 WeakPolarHBondContact O-CB 3.44Å; N482-S486 PolarHBondContact O-N 3.25Å; N482-S486 PolarHBondContact O-OG 3.03Å; R483-S486 PolarHBondContact O-N 2.87Å; S486-I488 PolarHBondContact O-N 3.19Å; S486-L489 CarbonylContact O-C 3.43Å; S486-L489 PolarHBondContact O-N 2.8Å; S486-L489 VanDerWaalsContact O-N 3.1Å; S486-H490 WeakPolarHBondContact O-CB 3.47Å; S486-H490 PolarHBondContact O-N 3.15Å; S486-M646 PolarHBondContact OG-N 3.44Å
487	E	97	Very high	96.6	Very high	17 Å²	17	32.6 Å²	32.6	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-47	176.1	-173.4	58.6	-122.2	0	0	111	F425 R483 L489 H490 W491 V500 Y638	F425-E487 HydrophobicContact CB-CG 4.07Å; F425-E487 WeakPolarHBondContact CB-OE2 3.33Å; F425-E487 HydrophobicContact CD1-CG 3.98Å; F425-E487 HydrophobicContact CD2-CG 4.27Å; F425-E487 HydrophobicContact CE1-CG 4.45Å; F425-E487 HydrophobicContact CG-CG 3.87Å; R483-E487 WeakPolarHBondContact O-CB 3.38Å; R483-E487 PolarHBondContact O-N 3.41Å; E487-L489 VanDerWaalsContact C-N 3.27Å; E487-L489 PolarHBondContact O-N 3.05Å; E487-H490 PolarHBondContact O-N 3.27Å; E487-W491 PolarHBondContact OE1-NE1 2.84Å; E487-V500 HydrophobicContact CG-CG1 3.86Å; E487-Y638 PolarHBondContact OE2-OH 3.49Å; E487-Y638 VanDerWaalsContact OE2-OH 3.13Å
488	I	97.8	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-31.9	177.1	-69	164	0	0	0	112.4	I484 S486 R497 V500 I501 L527 I532	I484-I488 HydrophobicContact CG2-CD1 4.02Å; I484-I488 WeakPolarHBondContact O-CD1 3.5Å; I484-I488 WeakPolarHBondContact O-CG1 3.31Å; I484-I488 PolarHBondContact O-N 3.11Å; S486-I488 PolarHBondContact O-N 3.19Å; I488-R497 HydrophobicContact CG2-CG 4.02Å; I488-R497 WeakPolarHBondContact O-CD 3.47Å; I488-R497 WeakPolarHBondContact O-CG 3.49Å; I488-V500 HydrophobicContact CG1-CG1 3.71Å; I488-I501 HydrophobicContact CD1-CG1 3.97Å; I488-I501 HydrophobicContact CG1-CG1 4.01Å; I488-I501 HydrophobicContact CG2-CD1 4.07Å; I488-I501 HydrophobicContact CG2-CG1 3.98Å; I488-L527 HydrophobicContact CD1-CD2 3.7Å; I488-I532 HydrophobicContact CB-CD1 4.32Å; I488-I532 HydrophobicContact CD1-CD1 3.79Å; I488-I532 HydrophobicContact CG2-CD1 4.34Å; I488-I532 HydrophobicContact CG2-CG2 4Å
489	L	97.4	Very high	96.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-97.2	-2.8	-177.5	-70.3	166	0	0	0	114.3	A485 S486 E487 W491 L535 L651 A654 I658	A485-L489 WeakPolarHBondContact O-CB 3.2Å; A485-L489 PolarHBondContact O-N 3.03Å; A485-L489 VanDerWaalsContact O-N 3.16Å; S486-L489 CarbonylContact O-C 3.43Å; S486-L489 PolarHBondContact O-N 2.8Å; S486-L489 VanDerWaalsContact O-N 3.1Å; E487-L489 VanDerWaalsContact C-N 3.27Å; E487-L489 PolarHBondContact O-N 3.05Å; L489-W491 VanDerWaalsContact C-N 3.34Å; L489-L535 HydrophobicContact CD2-CD1 3.95Å; L489-L651 HydrophobicContact CD1-CB 4.22Å; L489-L651 HydrophobicContact CD1-CD2 3.73Å; L489-L651 WeakPolarHBondContact CD1-O 3.43Å; L489-A654 HydrophobicContact CB-CB 4.38Å; L489-I658 HydrophobicContact CD2-CD1 4.02Å; L489-I658 VanDerWaalsContact O-CD1 3.24Å; L489-I658 WeakPolarHBondContact O-CD1 3.39Å
490	H	95.1	Very high	97	Very high	124 Å²	124	31.5 Å²	31.5	57%	0.574	17%	0.168	S	C	*	.	H	α-helix	trans	-68.7	-34.9	170.2	-170.7	74.7	0	0	0	111.6	S486 E487 D492	S486-H490 WeakPolarHBondContact O-CB 3.47Å; S486-H490 PolarHBondContact O-N 3.15Å; E487-H490 PolarHBondContact O-N 3.27Å; H490-D492 PolarHBondContact O-N 3.28Å
491	W	95.3	Very high	97.1	Very high	56 Å²	56	31.4 Å²	31.4	21%	0.212	17%	0.167	C	C	.	.			trans	-89	108.8	-175.3	-60.8	96.8	0	0	0	111.9	E487 L489 L496 R497 V500	E487-W491 PolarHBondContact OE1-NE1 2.84Å; L489-W491 VanDerWaalsContact C-N 3.34Å; W491-L496 HydrophobicContact CB-CB 4.3Å; W491-L496 HydrophobicContact CD2-CB 4.18Å; W491-L496 HydrophobicContact CE3-CB 3.96Å; W491-L496 HydrophobicContact CE3-CD1 3.53Å; W491-L496 HydrophobicContact CE3-CG 4.35Å; W491-L496 HydrophobicContact CG-CB 4.34Å; W491-L496 HydrophobicContact CZ3-CD1 3.69Å; W491-R497 HydrophobicContact CB-CB 4.13Å; W491-R497 PolarHBondContact O-NH1 3.34Å; W491-V500 HydrophobicContact CG-CG2 4.48Å
492	D	94.8	Very high	97.2	Very high	89 Å²	89	34.1 Å²	34.1	48%	0.476	18%	0.18	S	C	.	.			trans	-69.6	-35.1	173.4	-79.5	-0.7	0	0	0	112.4	H490 V494 R497 R657 I658	H490-D492 PolarHBondContact O-N 3.28Å; D492-V494 PolarHBondContact O-N 3.23Å; D492-R497 VanDerWaalsContact C-NH1 3.25Å; D492-R497 PolarHBondContact O-NH1 3.43Å; D492-R657 IonicContact OD1-CZ 3.94Å; D492-R657 VanDerWaalsContact OD1-CZ 3.28Å; D492-R657 IonicContact OD1-NH1 2.83Å; D492-R657 PolarHBondContact OD1-NH1 2.85Å; D492-R657 IonicContact OD1-NH2 3.93Å; D492-R657 PolarHBondContact OD1-NH2 3.27Å; D492-R657 IonicContact OD2-CZ 2.71Å; D492-R657 IonicContact OD2-NH1 3.95Å; D492-R657 PolarHBondContact OD2-NH1 3.17Å; D492-I658 VanDerWaalsContact OD1-CG1 3.31Å; D492-I658 WeakPolarHBondContact OD1-CG1 3.5Å
493	D	97.2	Very high	97.4	Very high	69 Å²	69	34.8 Å²	34.8	37%	0.369	18%	0.181	S	C	.	.	S	Bend	trans	-67.8	133.6	175	178.9	-107.5	0	0	0	112	N495 L496 R497	D493-N495 VanDerWaalsContact C-N 3.34Å; D493-N495 VanDerWaalsContact CG-ND2 3.33Å; D493-N495 PolarHBondContact O-N 2.68Å; D493-N495 WeakPolarHBondContact OD1-CA 3.35Å; D493-N495 VanDerWaalsContact OD1-CB 3.23Å; D493-N495 WeakPolarHBondContact OD1-CB 3.21Å; D493-N495 PolarHBondContact OD1-N 3.37Å; D493-N495 PolarHBondContact OD1-ND2 3.47Å; D493-N495 PolarHBondContact OD2-ND2 3.24Å; D493-L496 HydrophobicContact CB-CB 4.38Å; D493-L496 HydrophobicContact CB-CD1 4.16Å; D493-L496 HydrophobicContact CB-CG 4.24Å; D493-L496 PolarHBondContact OD1-N 3.05Å; D493-R497 VanDerWaalsContact O-CB 3.25Å; D493-R497 WeakPolarHBondContact O-CB 3.44Å; D493-R497 PolarHBondContact O-N 3.41Å; D493-R497 PolarHBondContact O-NH1 2.78Å
494	V	97.7	Very high	97.5	Very high	17 Å²	17	34.5 Å²	34.5	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-71.5	-25.6	-175.3	70.2	0	0	0	0	113.2	D492 V498 R537 K541	D492-V494 PolarHBondContact O-N 3.23Å; V494-V498 WeakPolarHBondContact O-CB 3.37Å; V494-V498 WeakPolarHBondContact O-CG2 2.97Å; V494-V498 PolarHBondContact O-N 2.98Å; V494-V498 VanDerWaalsContact O-N 3.07Å; V494-R537 HydrophobicContact CG2-CG 4.39Å; V494-K541 HydrophobicContact CG1-CD 3.94Å; V494-K541 HydrophobicContact CG2-CD 4.09Å
495	N	97.8	Very high	97.6	Very high	82 Å²	82	34.7 Å²	34.7	44%	0.439	18%	0.182	S	C	.	.	H	α-helix	trans	-82.6	-42.8	-177.8	-39.7	-81.6	0	0	0	110.3	D493 V498 A499 K541	D493-N495 VanDerWaalsContact C-N 3.34Å; D493-N495 VanDerWaalsContact CG-ND2 3.33Å; D493-N495 PolarHBondContact O-N 2.68Å; D493-N495 WeakPolarHBondContact OD1-CA 3.35Å; D493-N495 VanDerWaalsContact OD1-CB 3.23Å; D493-N495 WeakPolarHBondContact OD1-CB 3.21Å; D493-N495 PolarHBondContact OD1-N 3.37Å; D493-N495 PolarHBondContact OD1-ND2 3.47Å; D493-N495 PolarHBondContact OD2-ND2 3.24Å; N495-V498 PolarHBondContact O-N 3.05Å; N495-A499 PolarHBondContact O-N 2.95Å; N495-K541 PolarHBondContact OD1-NZ 2.64Å
496	L	97.7	Very high	97.6	Very high	86 Å²	86	36.8 Å²	36.8	45%	0.45	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-47.8	171.2	-61.4	178.7	0	0	0	110.7	W491 D493 V498 A499 V500	W491-L496 HydrophobicContact CB-CB 4.3Å; W491-L496 HydrophobicContact CD2-CB 4.18Å; W491-L496 HydrophobicContact CE3-CB 3.96Å; W491-L496 HydrophobicContact CE3-CD1 3.53Å; W491-L496 HydrophobicContact CE3-CG 4.35Å; W491-L496 HydrophobicContact CG-CB 4.34Å; W491-L496 HydrophobicContact CZ3-CD1 3.69Å; D493-L496 HydrophobicContact CB-CB 4.38Å; D493-L496 HydrophobicContact CB-CD1 4.16Å; D493-L496 HydrophobicContact CB-CG 4.24Å; D493-L496 PolarHBondContact OD1-N 3.05Å; L496-V498 VanDerWaalsContact C-N 3.31Å; L496-V498 PolarHBondContact O-N 3.49Å; L496-A499 WeakPolarHBondContact O-CB 3.39Å; L496-A499 PolarHBondContact O-N 2.73Å; L496-A499 VanDerWaalsContact O-N 3.08Å; L496-V500 WeakPolarHBondContact O-CG2 3.34Å; L496-V500 PolarHBondContact O-N 3.31Å
497	R	97.9	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-35.3	175.5	-174.4	166.2	62.9	-101.7	3	113.8	I488 W491 D492 D493 I501 T538 I658 E659	I488-R497 HydrophobicContact CG2-CG 4.02Å; I488-R497 WeakPolarHBondContact O-CD 3.47Å; I488-R497 WeakPolarHBondContact O-CG 3.49Å; W491-R497 HydrophobicContact CB-CB 4.13Å; W491-R497 PolarHBondContact O-NH1 3.34Å; D492-R497 VanDerWaalsContact C-NH1 3.25Å; D492-R497 PolarHBondContact O-NH1 3.43Å; D493-R497 VanDerWaalsContact O-CB 3.25Å; D493-R497 WeakPolarHBondContact O-CB 3.44Å; D493-R497 PolarHBondContact O-N 3.41Å; D493-R497 PolarHBondContact O-NH1 2.78Å; R497-I501 WeakPolarHBondContact O-CG1 3.45Å; R497-I501 PolarHBondContact O-N 3.45Å; R497-I501 VanDerWaalsContact O-N 3.15Å; R497-T538 HydrophobicContact CB-CG2 4.45Å; R497-T538 HydrophobicContact CG-CG2 3.9Å; R497-T538 VanDerWaalsContact CZ-OG1 3.3Å; R497-T538 PolarHBondContact NE-OG1 2.78Å; R497-T538 PolarHBondContact NH2-OG1 2.66Å; R497-I658 VanDerWaalsContact NH1-CG2 3.33Å; R497-E659 IonicContact NH2-OE1 3.36Å
498	V	98.6	Very high	97.8	Very high	13 Å²	13	35.8 Å²	35.8	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-49.6	170.7	164.3	0	0	0	0	110.6	V494 N495 L496 V500 I501 E502 T538 K541 V542	V494-V498 WeakPolarHBondContact O-CB 3.37Å; V494-V498 WeakPolarHBondContact O-CG2 2.97Å; V494-V498 PolarHBondContact O-N 2.98Å; V494-V498 VanDerWaalsContact O-N 3.07Å; N495-V498 PolarHBondContact O-N 3.05Å; L496-V498 VanDerWaalsContact C-N 3.31Å; L496-V498 PolarHBondContact O-N 3.49Å; V498-V500 PolarHBondContact O-N 3.39Å; V498-I501 PolarHBondContact O-N 3.17Å; V498-E502 HydrophobicContact CG1-CG 4.06Å; V498-E502 WeakPolarHBondContact O-CG 3.48Å; V498-E502 PolarHBondContact O-N 3.08Å; V498-T538 HydrophobicContact CG2-CG2 3.86Å; V498-K541 HydrophobicContact CG2-CB 3.67Å; V498-V542 HydrophobicContact CG1-CG2 4.26Å; V498-V542 HydrophobicContact CG2-CG2 4.04Å
499	A	98.4	Very high	97.9	Very high	55 Å²	55	38.3 Å²	38.3	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-57.3	-37.4	178.8	0	0	0	0	0	112.3	N495 L496 E502 K503	N495-A499 PolarHBondContact O-N 2.95Å; L496-A499 WeakPolarHBondContact O-CB 3.39Å; L496-A499 PolarHBondContact O-N 2.73Å; L496-A499 VanDerWaalsContact O-N 3.08Å; A499-E502 PolarHBondContact O-N 2.92Å; A499-K503 VanDerWaalsContact O-CB 3.24Å; A499-K503 WeakPolarHBondContact O-CB 3.41Å; A499-K503 PolarHBondContact O-N 3.13Å
500	V	98.3	Very high	97.9	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-45.6	173.3	171.8	0	0	0	0	112.2	F425 E487 I488 W491 L496 V498 K503 W504	F425-V500 HydrophobicContact CD1-CG1 4.31Å; F425-V500 HydrophobicContact CD1-CG2 4.01Å; F425-V500 HydrophobicContact CE1-CB 4.13Å; F425-V500 HydrophobicContact CE1-CG1 3.82Å; F425-V500 HydrophobicContact CE1-CG2 3.95Å; F425-V500 HydrophobicContact CZ-CG1 4.45Å; E487-V500 HydrophobicContact CG-CG1 3.86Å; I488-V500 HydrophobicContact CG1-CG1 3.71Å; W491-V500 HydrophobicContact CG-CG2 4.48Å; L496-V500 WeakPolarHBondContact O-CG2 3.34Å; L496-V500 PolarHBondContact O-N 3.31Å; V498-V500 PolarHBondContact O-N 3.39Å; V500-K503 PolarHBondContact O-N 3.31Å; V500-W504 PolarHBondContact O-N 3.06Å
501	I	98.6	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-46.6	175.1	-69.4	167	0	0	0	111	I488 R497 V498 K503 W504 V505 L527 T538 W539 V542	I488-I501 HydrophobicContact CD1-CG1 3.97Å; I488-I501 HydrophobicContact CG1-CG1 4.01Å; I488-I501 HydrophobicContact CG2-CD1 4.07Å; I488-I501 HydrophobicContact CG2-CG1 3.98Å; R497-I501 WeakPolarHBondContact O-CG1 3.45Å; R497-I501 PolarHBondContact O-N 3.45Å; R497-I501 VanDerWaalsContact O-N 3.15Å; V498-I501 PolarHBondContact O-N 3.17Å; I501-K503 VanDerWaalsContact C-N 3.3Å; I501-K503 PolarHBondContact O-N 2.93Å; I501-W504 PolarHBondContact O-N 3.47Å; I501-V505 WeakPolarHBondContact O-CG2 3.5Å; I501-V505 PolarHBondContact O-N 3.01Å; I501-L527 HydrophobicContact CG1-CD2 4.29Å; I501-L527 HydrophobicContact CG2-CD2 4.05Å; I501-T538 HydrophobicContact CD1-CG2 3.7Å; I501-W539 HydrophobicContact CG2-CH2 4.07Å; I501-W539 HydrophobicContact CG2-CZ3 4.04Å; I501-V542 HydrophobicContact CB-CG2 4.49Å; I501-V542 HydrophobicContact CD1-CG2 4.42Å; I501-V542 HydrophobicContact CG2-CG1 4.5Å; I501-V542 HydrophobicContact CG2-CG2 4.08Å
502	E	98.6	Very high	98.3	Very high	58 Å²	58	35.7 Å²	35.7	27%	0.271	20%	0.195	S	C	.	.	H	α-helix	trans	-65.3	-35.3	-179.4	-53.7	-150	112.4	0	0	111.7	V498 A499 V505 A506 V542 S543 T546	V498-E502 HydrophobicContact CG1-CG 4.06Å; V498-E502 WeakPolarHBondContact O-CG 3.48Å; V498-E502 PolarHBondContact O-N 3.08Å; A499-E502 PolarHBondContact O-N 2.92Å; E502-V505 PolarHBondContact O-N 2.86Å; E502-A506 PolarHBondContact O-N 3.21Å; E502-V542 HydrophobicContact CG-CG1 4.36Å; E502-S543 WeakPolarHBondContact OE1-CB 3.41Å; E502-S543 PolarHBondContact OE1-N 3.48Å; E502-S543 PolarHBondContact OE1-OG 2.85Å; E502-T546 HydrophobicContact CB-CG2 4.26Å; E502-T546 VanDerWaalsContact CD-OG1 3.29Å; E502-T546 HydrophobicContact CG-CG2 4.03Å; E502-T546 WeakPolarHBondContact OE1-CB 3.35Å; E502-T546 PolarHBondContact OE1-OG1 3.39Å
503	K	98.7	Very high	98.4	Very high	43 Å²	43	35.1 Å²	35.1	19%	0.187	20%	0.197	C	C	.	.	H	α-helix	trans	-67.7	-44	174.3	-175.6	168.4	169.1	-177.8	0	112.6	F425 E426 H428 A430 A499 V500 I501 V505 A506 V507	F425-K503 HydrophobicContact CD1-CD 4.31Å; F425-K503 HydrophobicContact CE1-CB 4.13Å; F425-K503 HydrophobicContact CE1-CD 3.55Å; F425-K503 HydrophobicContact CE1-CG 3.99Å; F425-K503 HydrophobicContact CE2-CD 4.44Å; F425-K503 HydrophobicContact CZ-CB 4.05Å; F425-K503 HydrophobicContact CZ-CD 3.65Å; F425-K503 HydrophobicContact CZ-CG 3.68Å; F425-K503 PolarHBondContact O-NZ 2.74Å; E426-K503 PolarHBondContact O-NZ 3.48Å; H428-K503 WeakPolarHBondContact O-CE 3.5Å; H428-K503 PolarHBondContact O-NZ 2.8Å; A430-K503 HydrophobicContact CB-CG 4.42Å; A499-K503 VanDerWaalsContact O-CB 3.24Å; A499-K503 WeakPolarHBondContact O-CB 3.41Å; A499-K503 PolarHBondContact O-N 3.13Å; V500-K503 PolarHBondContact O-N 3.31Å; I501-K503 VanDerWaalsContact C-N 3.3Å; I501-K503 PolarHBondContact O-N 2.93Å; K503-V505 VanDerWaalsContact C-N 3.32Å; K503-V505 PolarHBondContact O-N 2.71Å; K503-A506 WeakPolarHBondContact O-CB 3.32Å; K503-A506 PolarHBondContact O-N 3.48Å; K503-A506 VanDerWaalsContact O-N 3.15Å; K503-V507 WeakPolarHBondContact O-CG2 3.45Å; K503-V507 PolarHBondContact O-N 3.2Å
504	W	98.8	Very high	98.4	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-35.1	173.7	-84.5	115.2	0	0	0	112.8	F425 I433 I484 V500 I501 A506 V507 A508 I523 Y638 L639	F425-W504 HydrophobicContact CD2-CZ2 4.29Å; F425-W504 HydrophobicContact CE2-CD2 4.16Å; F425-W504 AromaticContact CE2-CE2 3.5Å; F425-W504 HydrophobicContact CE2-CH2 4.48Å; F425-W504 AromaticContact CE2-CZ2 3.71Å; F425-W504 HydrophobicContact CE2-CZ2 3.71Å; F425-W504 AromaticContact CE2-NE1 3.5Å; F425-W504 AromaticContact CZ-CD1 3.62Å; F425-W504 HydrophobicContact CZ-CD2 4.2Å; F425-W504 AromaticContact CZ-CE2 3.8Å; F425-W504 HydrophobicContact CZ-CG 4.11Å; F425-W504 HydrophobicContact CZ-CZ2 4.46Å; F425-W504 AromaticContact CZ-NE1 3.41Å; I433-W504 HydrophobicContact CG2-CH2 4.07Å; I433-W504 HydrophobicContact CG2-CZ3 3.98Å; I484-W504 HydrophobicContact CB-CZ2 4.47Å; I484-W504 HydrophobicContact CD1-CE3 4.33Å; I484-W504 HydrophobicContact CD1-CH2 4.4Å; I484-W504 HydrophobicContact CD1-CZ3 4.14Å; I484-W504 HydrophobicContact CG1-CD2 3.97Å; I484-W504 HydrophobicContact CG1-CE3 3.93Å; I484-W504 HydrophobicContact CG1-CH2 3.63Å; I484-W504 HydrophobicContact CG1-CZ2 3.66Å; I484-W504 HydrophobicContact CG1-CZ3 3.76Å; I484-W504 HydrophobicContact CG2-CD2 4.19Å; I484-W504 HydrophobicContact CG2-CG 4.21Å; V500-W504 PolarHBondContact O-N 3.06Å; I501-W504 PolarHBondContact O-N 3.47Å; W504-A506 VanDerWaalsContact C-N 3.33Å; W504-V507 HydrophobicContact CE3-CB 4.09Å; W504-V507 HydrophobicContact CE3-CG1 4.05Å; W504-V507 HydrophobicContact CE3-CG2 4.25Å; W504-V507 HydrophobicContact CZ3-CG1 4.03Å; W504-V507 WeakPolarHBondContact O-CB 3.33Å; W504-V507 PolarHBondContact O-N 2.95Å; W504-A508 PolarHBondContact O-N 3.48Å; W504-I523 HydrophobicContact CB-CG2 4.14Å; W504-I523 HydrophobicContact CE3-CD1 3.94Å; W504-I523 HydrophobicContact CE3-CG1 4Å; W504-I523 HydrophobicContact CZ3-CD1 4.26Å; W504-I523 HydrophobicContact CZ3-CG1 4.37Å; W504-Y638 HydrophobicContact CZ2-CE1 4.43Å; W504-L639 HydrophobicContact CH2-CD2 4.36Å
505	V	98.8	Very high	98.5	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.03	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-34.7	173	174.1	0	0	0	0	111.9	I501 E502 K503 A508 D509 L527 T546 V549 I550	I501-V505 WeakPolarHBondContact O-CG2 3.5Å; I501-V505 PolarHBondContact O-N 3.01Å; E502-V505 PolarHBondContact O-N 2.86Å; K503-V505 VanDerWaalsContact C-N 3.32Å; K503-V505 PolarHBondContact O-N 2.71Å; V505-A508 PolarHBondContact O-N 3.28Å; V505-D509 PolarHBondContact O-N 2.97Å; V505-D509 VanDerWaalsContact O-N 3.09Å; V505-L527 HydrophobicContact CG2-CD1 3.67Å; V505-T546 HydrophobicContact CB-CG2 3.79Å; V505-T546 HydrophobicContact CG1-CG2 3.8Å; V505-T546 HydrophobicContact CG2-CG2 3.79Å; V505-V549 HydrophobicContact CG1-CB 3.81Å; V505-V549 HydrophobicContact CG1-CG1 3.57Å; V505-I550 HydrophobicContact CB-CG1 4.48Å; V505-I550 HydrophobicContact CG1-CG1 4.05Å; V505-I550 HydrophobicContact CG2-CD1 3.83Å; V505-I550 HydrophobicContact CG2-CG1 3.52Å
506	A	98.8	Very high	98.5	Very high	43 Å²	43	32.3 Å²	32.3	36%	0.355	18%	0.179	S	C	.	.	H	α-helix	trans	-65.6	-44.1	171.4	0	0	0	0	0	112	A430 E502 K503 W504 A508 D509 I510	A430-A506 HydrophobicContact CB-CB 4.06Å; E502-A506 PolarHBondContact O-N 3.21Å; K503-A506 WeakPolarHBondContact O-CB 3.32Å; K503-A506 PolarHBondContact O-N 3.48Å; K503-A506 VanDerWaalsContact O-N 3.15Å; W504-A506 VanDerWaalsContact C-N 3.33Å; A506-A508 VanDerWaalsContact C-N 3.29Å; A506-A508 PolarHBondContact O-N 3.13Å; A506-D509 PolarHBondContact O-N 2.85Å; A506-I510 VanDerWaalsContact O-CG1 3.3Å; A506-I510 WeakPolarHBondContact O-CG1 3.13Å; A506-I510 PolarHBondContact O-N 2.71Å
507	V	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-53.9	-47.2	171.8	173.6	0	0	0	0	110.2	A430 I433 A434 K503 W504 D509 I510 C511 I523	A430-V507 HydrophobicContact CB-CG2 3.91Å; I433-V507 HydrophobicContact CB-CG2 4.02Å; I433-V507 HydrophobicContact CG2-CG1 3.93Å; I433-V507 HydrophobicContact CG2-CG2 3.85Å; A434-V507 HydrophobicContact CB-CG1 3.97Å; K503-V507 WeakPolarHBondContact O-CG2 3.45Å; K503-V507 PolarHBondContact O-N 3.2Å; W504-V507 HydrophobicContact CE3-CB 4.09Å; W504-V507 HydrophobicContact CE3-CG1 4.05Å; W504-V507 HydrophobicContact CE3-CG2 4.25Å; W504-V507 HydrophobicContact CZ3-CG1 4.03Å; W504-V507 WeakPolarHBondContact O-CB 3.33Å; W504-V507 PolarHBondContact O-N 2.95Å; V507-D509 PolarHBondContact O-N 2.94Å; V507-I510 PolarHBondContact O-N 2.86Å; V507-C511 PolarHBondContact O-N 3.49Å; V507-C511 PolarHBondContact O-SG 3.15Å; V507-C511 VanDerWaalsContact O-SG 3.35Å; V507-I523 HydrophobicContact CB-CD1 4.25Å; V507-I523 HydrophobicContact CG1-CD1 3.74Å
508	A	98.9	Very high	98.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-39.1	-179.3	0	0	0	0	0	113.7	W504 V505 A506 I510 C511 R512 V520 I523 L553	W504-A508 PolarHBondContact O-N 3.48Å; V505-A508 PolarHBondContact O-N 3.28Å; A506-A508 VanDerWaalsContact C-N 3.29Å; A506-A508 PolarHBondContact O-N 3.13Å; A508-I510 VanDerWaalsContact C-N 3.32Å; A508-C511 PolarHBondContact O-N 2.9Å; A508-R512 PolarHBondContact O-N 2.98Å; A508-V520 WeakPolarHBondContact O-CG2 3.48Å; A508-I523 HydrophobicContact CB-CB 4.02Å; A508-I523 HydrophobicContact CB-CD1 3.74Å; A508-I523 HydrophobicContact CB-CG1 4.49Å; A508-I523 HydrophobicContact CB-CG2 3.93Å; A508-L553 HydrophobicContact CB-CD1 3.67Å
509	D	98.8	Very high	98.6	Very high	52 Å²	52	28.7 Å²	28.7	28%	0.278	16%	0.159	S	C	.	.	H	α-helix	trans	-72	-27	176.3	-158.9	55.2	0	0	0	112.5	V505 A506 V507 R512 C513 V549 L553	V505-D509 PolarHBondContact O-N 2.97Å; V505-D509 VanDerWaalsContact O-N 3.09Å; A506-D509 PolarHBondContact O-N 2.85Å; V507-D509 PolarHBondContact O-N 2.94Å; D509-R512 IonicContact OD1-CZ 3Å; D509-R512 IonicContact OD1-NE 3.58Å; D509-R512 PolarHBondContact OD1-NE 3.38Å; D509-R512 IonicContact OD1-NH2 2.66Å; D509-R512 PolarHBondContact OD1-NH2 2.97Å; D509-R512 IonicContact OD2-NH2 3.83Å; D509-R512 PolarHBondContact OD2-NH2 2.86Å; D509-C513 PolarHBondContact O-N 2.8Å; D509-C513 PolarHBondContact O-SG 2.94Å; D509-C513 VanDerWaalsContact O-SG 3.33Å; D509-V549 HydrophobicContact CB-CG1 4Å; D509-L553 HydrophobicContact CB-CD1 4.49Å
510	I	98.8	Very high	98.6	Very high	45 Å²	45	26.1 Å²	26.1	23%	0.231	14%	0.137	C	C	.	.	H	α-helix	trans	-71.1	-46.5	169.4	-62.7	164.7	0	0	0	110.3	A430 L431 A434 A506 V507 A508 R512 C513 L514	A430-I510 HydrophobicContact CB-CD1 4.09Å; L431-I510 HydrophobicContact CB-CD1 4.48Å; L431-I510 HydrophobicContact CD1-CG2 3.91Å; A434-I510 HydrophobicContact CB-CB 3.75Å; A434-I510 HydrophobicContact CB-CG2 3.46Å; A434-I510 VanDerWaalsContact CB-CG2 3.46Å; A506-I510 VanDerWaalsContact O-CG1 3.3Å; A506-I510 WeakPolarHBondContact O-CG1 3.13Å; A506-I510 PolarHBondContact O-N 2.71Å; V507-I510 PolarHBondContact O-N 2.86Å; A508-I510 VanDerWaalsContact C-N 3.32Å; I510-R512 PolarHBondContact O-N 3.37Å; I510-C513 CarbonylContact O-C 3.51Å; I510-C513 WeakPolarHBondContact O-CA 3.2Å; I510-C513 WeakPolarHBondContact O-CB 3.35Å; I510-C513 PolarHBondContact O-N 3.1Å; I510-L514 HydrophobicContact CG2-CD1 4.17Å; I510-L514 HydrophobicContact CG2-CG 4.37Å; I510-L514 WeakPolarHBondContact O-CG 3.45Å; I510-L514 PolarHBondContact O-N 3Å
511	C	98.8	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.6	-39.5	173.5	-70	0	0	0	0	112	V507 A508 C513 L514 H515 N516 A519 V520	V507-C511 PolarHBondContact O-N 3.49Å; V507-C511 PolarHBondContact O-SG 3.15Å; V507-C511 VanDerWaalsContact O-SG 3.35Å; A508-C511 PolarHBondContact O-N 2.9Å; C511-C513 VanDerWaalsContact C-N 3.33Å; C511-C513 PolarHBondContact O-N 3.46Å; C511-L514 CarbonylContact O-C 3.44Å; C511-L514 PolarHBondContact O-N 2.95Å; C511-L514 VanDerWaalsContact O-N 3.15Å; C511-H515 PolarHBondContact O-N 2.88Å; C511-H515 VanDerWaalsContact O-N 3.16Å; C511-N516 HydrophobicContact CB-CB 4.18Å; C511-N516 PolarHBondContact O-N 3.32Å; C511-A519 HydrophobicContact CB-CB 4.06Å; C511-V520 HydrophobicContact CB-CG2 4.12Å
512	R	98.5	Very high	98.6	Very high	81 Å²	81	26.8 Å²	26.8	31%	0.306	14%	0.141	S	C	.	.	H	α-helix	trans	-59.5	-40.6	171.5	-175.3	-165.2	52.7	57.7	4.9	112.3	A508 D509 I510 L514 H515 V520 L553 L556	A508-R512 PolarHBondContact O-N 2.98Å; D509-R512 IonicContact OD1-CZ 3Å; D509-R512 IonicContact OD1-NE 3.58Å; D509-R512 PolarHBondContact OD1-NE 3.38Å; D509-R512 IonicContact OD1-NH2 2.66Å; D509-R512 PolarHBondContact OD1-NH2 2.97Å; D509-R512 IonicContact OD2-NH2 3.83Å; D509-R512 PolarHBondContact OD2-NH2 2.86Å; I510-R512 PolarHBondContact O-N 3.37Å; R512-L514 VanDerWaalsContact C-N 3.34Å; R512-H515 PolarHBondContact O-N 3.42Å; R512-V520 HydrophobicContact CB-CG2 3.88Å; R512-L553 HydrophobicContact CB-CD2 4Å; R512-L553 HydrophobicContact CG-CD2 4.31Å; R512-L556 HydrophobicContact CG-CD2 3.71Å
513	C	97.8	Very high	98.6	Very high	77 Å²	77	24 Å²	24	52%	0.52	13%	0.128	S	C	.	.	H	α-helix	trans	-71.2	-27.4	175.4	-68.5	0	0	0	0	113.1	D509 I510 C511 H515	D509-C513 PolarHBondContact O-N 2.8Å; D509-C513 PolarHBondContact O-SG 2.94Å; D509-C513 VanDerWaalsContact O-SG 3.33Å; I510-C513 CarbonylContact O-C 3.51Å; I510-C513 WeakPolarHBondContact O-CA 3.2Å; I510-C513 WeakPolarHBondContact O-CB 3.35Å; I510-C513 PolarHBondContact O-N 3.1Å; C511-C513 VanDerWaalsContact C-N 3.33Å; C511-C513 PolarHBondContact O-N 3.46Å; C513-H515 PolarHBondContact O-N 3.33Å
514	L	98.3	Very high	98.6	Very high	43 Å²	43	22.2 Å²	22.2	23%	0.225	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	6.9	171.7	-62.1	175.8	0	0	0	113.1	A434 E435 T438 I510 C511 R512 N516 Y627	A434-L514 HydrophobicContact CB-CD1 4.41Å; E435-L514 HydrophobicContact CG-CD1 4.23Å; T438-L514 HydrophobicContact CG2-CB 4.24Å; T438-L514 HydrophobicContact CG2-CD1 4.44Å; I510-L514 HydrophobicContact CG2-CD1 4.17Å; I510-L514 HydrophobicContact CG2-CG 4.37Å; I510-L514 WeakPolarHBondContact O-CG 3.45Å; I510-L514 PolarHBondContact O-N 3Å; C511-L514 CarbonylContact O-C 3.44Å; C511-L514 PolarHBondContact O-N 2.95Å; C511-L514 VanDerWaalsContact O-N 3.15Å; R512-L514 VanDerWaalsContact C-N 3.34Å; L514-N516 PolarHBondContact O-N 2.84Å; L514-N516 VanDerWaalsContact O-N 3.09Å; L514-Y627 HydrophobicContact CB-CE1 4.47Å; L514-Y627 WeakPolarHBondContact O-CE1 3.4Å; L514-Y627 PolarHBondContact O-OH 2.89Å
515	H	98.4	Very high	98.5	Very high	66 Å²	66	24 Å²	24	31%	0.306	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	22.4	-173.4	-53.5	155.4	0	0	0	114.5	C511 R512 C513 Y517 C573 P576 C577 V578	C511-H515 PolarHBondContact O-N 2.88Å; C511-H515 VanDerWaalsContact O-N 3.16Å; R512-H515 PolarHBondContact O-N 3.42Å; C513-H515 PolarHBondContact O-N 3.33Å; H515-Y517 HydrophobicContact CB-CE2 4.01Å; H515-Y517 VanDerWaalsContact O-CD2 3.31Å; H515-Y517 WeakPolarHBondContact O-CD2 3.5Å; H515-Y517 PolarHBondContact O-N 3.33Å; H515-C573 VanDerWaalsContact CG-SG 3.5Å; H515-C573 PolarHBondContact ND1-SG 2.95Å; H515-C573 VanDerWaalsContact ND1-SG 3.37Å; H515-P576 PolarHBondContact ND1-O 3.37Å; H515-C577 HydrophobicContact CB-CB 3.98Å; H515-C577 WeakPolarHBondContact O-CA 3.26Å; H515-C577 PolarHBondContact O-SG 3.43Å; H515-V578 PolarHBondContact O-N 2.87Å
516	N	98.6	Very high	98.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-85.2	89.5	167.7	-177.4	-1.9	0	0	0	109.2	T438 D441 C511 L514 N518 A519 V520 V578	T438-N516 WeakPolarHBondContact CA-ND2 3.44Å; T438-N516 HydrophobicContact CG2-CB 3.87Å; T438-N516 WeakPolarHBondContact OG1-CB 3.31Å; T438-N516 PolarHBondContact OG1-ND2 2.9Å; D441-N516 PolarHBondContact OD2-ND2 2.91Å; D441-N516 PolarHBondContact OD2-OD1 2.98Å; D441-N516 VanDerWaalsContact OD2-OD1 3.1Å; C511-N516 HydrophobicContact CB-CB 4.18Å; C511-N516 PolarHBondContact O-N 3.32Å; L514-N516 PolarHBondContact O-N 2.84Å; L514-N516 VanDerWaalsContact O-N 3.09Å; N516-N518 VanDerWaalsContact C-N 3.29Å; N516-N518 WeakPolarHBondContact OD1-CA 3.33Å; N516-N518 WeakPolarHBondContact OD1-CB 3.02Å; N516-N518 PolarHBondContact OD1-N 2.89Å; N516-A519 WeakPolarHBondContact ND2-CB 3.47Å; N516-A519 PolarHBondContact OD1-N 3.46Å; N516-V520 VanDerWaalsContact O-CG2 3.25Å; N516-V520 WeakPolarHBondContact O-CG2 3.28Å; N516-V578 HydrophobicContact CB-CB 4.47Å
517	Y	98.6	Very high	98.4	Very high	17 Å²	17	21.8 Å²	21.8	7%	0.067	12%	0.115	C	C	.	.	H	α-helix	trans	-80.8	-11.7	175.9	-56.7	-77.9	0	0	0	112.8	H515 L521 L556 L566 A569 L570 V578	H515-Y517 HydrophobicContact CB-CE2 4.01Å; H515-Y517 VanDerWaalsContact O-CD2 3.31Å; H515-Y517 WeakPolarHBondContact O-CD2 3.5Å; H515-Y517 PolarHBondContact O-N 3.33Å; Y517-L521 PolarHBondContact O-N 2.81Å; Y517-L556 HydrophobicContact CD1-CD2 4.14Å; Y517-L556 HydrophobicContact CE1-CD1 4.47Å; Y517-L556 HydrophobicContact CE1-CD2 4.06Å; Y517-L566 HydrophobicContact CD1-CD1 3.83Å; Y517-L566 HydrophobicContact CD2-CD1 4.24Å; Y517-L566 HydrophobicContact CG-CD1 3.59Å; Y517-A569 HydrophobicContact CE1-CB 4.06Å; Y517-L570 HydrophobicContact CD2-CD2 3.61Å; Y517-L570 HydrophobicContact CD2-CG 4.39Å; Y517-L570 HydrophobicContact CE2-CD2 3.82Å; Y517-V578 PolarHBondContact N-O 2.69Å
518	N	98.5	Very high	98.2	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-69.6	-60.5	173.8	-172.5	67.3	0	0	0	110.2	D441 F477 N516 V520 L521 E522 V578	D441-N518 VanDerWaalsContact CG-ND2 3.26Å; D441-N518 PolarHBondContact OD1-ND2 3.04Å; D441-N518 PolarHBondContact OD2-ND2 2.95Å; F477-N518 WeakPolarHBondContact CD2-OD1 3.27Å; N516-N518 VanDerWaalsContact C-N 3.29Å; N516-N518 WeakPolarHBondContact OD1-CA 3.33Å; N516-N518 WeakPolarHBondContact OD1-CB 3.02Å; N516-N518 PolarHBondContact OD1-N 2.89Å; N518-V520 PolarHBondContact O-N 3.01Å; N518-L521 WeakPolarHBondContact O-CA 3.42Å; N518-L521 WeakPolarHBondContact O-CB 3.41Å; N518-L521 PolarHBondContact O-N 3.28Å; N518-E522 PolarHBondContact ND2-OE1 3.15Å; N518-E522 PolarHBondContact O-N 3.19Å; N518-V578 HydrophobicContact CB-CB 4.45Å; N518-V578 HydrophobicContact CB-CG1 3.84Å; N518-V578 PolarHBondContact N-O 3.02Å
519	A	98.6	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.1	-31.8	174.6	0	0	0	0	0	114.3	L437 D441 C511 N516 L521 E522 I523	L437-A519 HydrophobicContact CD2-CB 3.61Å; L437-A519 HydrophobicContact CG-CB 3.95Å; D441-A519 PolarHBondContact OD2-N 3.03Å; C511-A519 HydrophobicContact CB-CB 4.06Å; N516-A519 WeakPolarHBondContact ND2-CB 3.47Å; N516-A519 PolarHBondContact OD1-N 3.46Å; A519-L521 VanDerWaalsContact C-N 3.28Å; A519-L521 PolarHBondContact O-N 3.15Å; A519-E522 PolarHBondContact O-N 2.87Å; A519-I523 WeakPolarHBondContact O-CB 3.35Å; A519-I523 WeakPolarHBondContact O-CD1 3.39Å; A519-I523 VanDerWaalsContact O-CG1 3.32Å; A519-I523 WeakPolarHBondContact O-CG1 3.49Å; A519-I523 PolarHBondContact O-N 3.23Å
520	V	98.8	Very high	97.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-40.2	172.5	174.3	0	0	0	0	110.9	A508 C511 R512 N516 N518 T524 L553 V557	A508-V520 WeakPolarHBondContact O-CG2 3.48Å; C511-V520 HydrophobicContact CB-CG2 4.12Å; R512-V520 HydrophobicContact CB-CG2 3.88Å; N516-V520 VanDerWaalsContact O-CG2 3.25Å; N516-V520 WeakPolarHBondContact O-CG2 3.28Å; N518-V520 PolarHBondContact O-N 3.01Å; V520-T524 WeakPolarHBondContact O-CB 3.41Å; V520-T524 VanDerWaalsContact O-CG2 3.28Å; V520-T524 WeakPolarHBondContact O-CG2 3.42Å; V520-T524 PolarHBondContact O-N 3.43Å; V520-T524 VanDerWaalsContact O-N 3.13Å; V520-T524 PolarHBondContact O-OG1 3.13Å; V520-L553 HydrophobicContact CG1-CB 4.17Å; V520-L553 HydrophobicContact CG1-CD2 3.96Å; V520-V557 HydrophobicContact CB-CG1 4.1Å; V520-V557 HydrophobicContact CG1-CG1 3.58Å; V520-V557 HydrophobicContact CG1-CG2 4.27Å
521	L	98.5	Very high	97.8	Very high	24 Å²	24	25.6 Å²	25.6	13%	0.126	14%	0.14	C	C	.	.	H	α-helix	trans	-75.6	-38.2	176.1	-176.2	61.7	0	0	0	112.3	F477 Y517 N518 A519 S525 V557 F563 Y580	F477-L521 HydrophobicContact CE2-CB 4.45Å; F477-L521 HydrophobicContact CE2-CD2 4.37Å; F477-L521 HydrophobicContact CE2-CG 4.33Å; F477-L521 HydrophobicContact CZ-CD2 4.37Å; F477-L521 HydrophobicContact CZ-CG 4.18Å; Y517-L521 PolarHBondContact O-N 2.81Å; N518-L521 WeakPolarHBondContact O-CA 3.42Å; N518-L521 WeakPolarHBondContact O-CB 3.41Å; N518-L521 PolarHBondContact O-N 3.28Å; A519-L521 VanDerWaalsContact C-N 3.28Å; A519-L521 PolarHBondContact O-N 3.15Å; L521-S525 WeakPolarHBondContact O-CB 3.37Å; L521-S525 PolarHBondContact O-N 2.82Å; L521-S525 PolarHBondContact O-OG 3.1Å; L521-V557 HydrophobicContact CB-CB 4.19Å; L521-V557 HydrophobicContact CB-CG1 4.41Å; L521-V557 HydrophobicContact CB-CG2 4.13Å; L521-V557 HydrophobicContact CD1-CB 4.06Å; L521-V557 HydrophobicContact CD1-CG2 3.65Å; L521-V557 HydrophobicContact CG-CG2 4.48Å; L521-F563 HydrophobicContact CD2-CE1 4.49Å; L521-Y580 HydrophobicContact CD2-CD1 3.56Å; L521-Y580 HydrophobicContact CD2-CD2 3.6Å; L521-Y580 HydrophobicContact CD2-CE1 3.72Å; L521-Y580 HydrophobicContact CD2-CE2 3.76Å; L521-Y580 HydrophobicContact CD2-CG 3.49Å; L521-Y580 VanDerWaalsContact CD2-CG 3.49Å
522	E	97.9	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-56.7	-53.2	174.1	-68.1	171.6	175.3	0	0	111.5	F477 I480 N518 A519 S525 S526	F477-E522 VanDerWaalsContact CA-OE1 3.22Å; F477-E522 WeakPolarHBondContact CA-OE1 3.27Å; F477-E522 HydrophobicContact CB-CG 4.49Å; F477-E522 HydrophobicContact CD1-CG 4.32Å; F477-E522 HydrophobicContact CD2-CG 3.26Å; F477-E522 VanDerWaalsContact CD2-OE1 3.3Å; F477-E522 WeakPolarHBondContact CD2-OE1 3.37Å; F477-E522 HydrophobicContact CE1-CG 4.37Å; F477-E522 HydrophobicContact CE2-CB 4.4Å; F477-E522 HydrophobicContact CE2-CG 3.35Å; F477-E522 HydrophobicContact CG-CG 3.78Å; F477-E522 HydrophobicContact CZ-CG 3.92Å; I480-E522 WeakPolarHBondContact CG2-OE2 3.48Å; N518-E522 PolarHBondContact ND2-OE1 3.15Å; N518-E522 PolarHBondContact O-N 3.19Å; A519-E522 PolarHBondContact O-N 2.87Å; E522-S525 PolarHBondContact O-OG 3.24Å; E522-S525 VanDerWaalsContact O-OG 3.13Å; E522-S526 WeakPolarHBondContact O-CB 3.36Å; E522-S526 PolarHBondContact O-N 2.65Å; E522-S526 PolarHBondContact O-OG 3.49Å
523	I	98.7	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-45.6	-177.3	-61.1	161.7	0	0	0	110.6	I484 W504 V507 A508 A519 S526 L527	I484-I523 HydrophobicContact CD1-CB 4.39Å; I484-I523 HydrophobicContact CD1-CG1 3.6Å; W504-I523 HydrophobicContact CB-CG2 4.14Å; W504-I523 HydrophobicContact CE3-CD1 3.94Å; W504-I523 HydrophobicContact CE3-CG1 4Å; W504-I523 HydrophobicContact CZ3-CD1 4.26Å; W504-I523 HydrophobicContact CZ3-CG1 4.37Å; V507-I523 HydrophobicContact CB-CD1 4.25Å; V507-I523 HydrophobicContact CG1-CD1 3.74Å; A508-I523 HydrophobicContact CB-CB 4.02Å; A508-I523 HydrophobicContact CB-CD1 3.74Å; A508-I523 HydrophobicContact CB-CG1 4.49Å; A508-I523 HydrophobicContact CB-CG2 3.93Å; A519-I523 WeakPolarHBondContact O-CB 3.35Å; A519-I523 WeakPolarHBondContact O-CD1 3.39Å; A519-I523 VanDerWaalsContact O-CG1 3.32Å; A519-I523 WeakPolarHBondContact O-CG1 3.49Å; A519-I523 PolarHBondContact O-N 3.23Å; I523-S526 PolarHBondContact O-N 2.86Å; I523-L527 HydrophobicContact CG2-CD1 4.44Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 2.87Å
524	T	98.3	Very high	97.6	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-70.8	-31.7	-178.9	56.4	0	0	0	0	113.8	V520 N528 L553 Q554	V520-T524 WeakPolarHBondContact O-CB 3.41Å; V520-T524 VanDerWaalsContact O-CG2 3.28Å; V520-T524 WeakPolarHBondContact O-CG2 3.42Å; V520-T524 PolarHBondContact O-N 3.43Å; V520-T524 VanDerWaalsContact O-N 3.13Å; V520-T524 PolarHBondContact O-OG1 3.13Å; T524-N528 PolarHBondContact O-N 3.4Å; T524-N528 PolarHBondContact O-ND2 3.04Å; T524-L553 HydrophobicContact CG2-CB 3.64Å; T524-L553 HydrophobicContact CG2-CD1 4.5Å; T524-Q554 HydrophobicContact CG2-CG 4.04Å
525	S	96.8	Very high	97.5	Very high	38 Å²	38	23.7 Å²	23.7	27%	0.266	12%	0.122	S	C	.	.	H	α-helix	trans	-73.6	-37.7	171.9	67.1	0	0	0	0	111.6	L521 E522 L527 N528 R529	L521-S525 WeakPolarHBondContact O-CB 3.37Å; L521-S525 PolarHBondContact O-N 2.82Å; L521-S525 PolarHBondContact O-OG 3.1Å; E522-S525 PolarHBondContact O-OG 3.24Å; E522-S525 VanDerWaalsContact O-OG 3.13Å; S525-L527 PolarHBondContact O-N 2.69Å; S525-N528 CarbonylContact O-C 3.34Å; S525-N528 WeakPolarHBondContact O-CA 3.46Å; S525-N528 WeakPolarHBondContact O-CB 3.31Å; S525-N528 PolarHBondContact O-N 3.04Å; S525-R529 PolarHBondContact O-N 3.25Å; S525-R529 VanDerWaalsContact O-N 3.13Å
526	S	97.5	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.9	-46.9	174.1	-66.1	0	0	0	0	112	S481 E522 I523 N528 R529 I532	S481-S526 VanDerWaalsContact CA-OG 3.27Å; S481-S526 WeakPolarHBondContact CA-OG 3.39Å; S481-S526 VanDerWaalsContact CB-OG 3.25Å; S481-S526 WeakPolarHBondContact CB-OG 3.48Å; S481-S526 PolarHBondContact O-OG 3.19Å; E522-S526 WeakPolarHBondContact O-CB 3.36Å; E522-S526 PolarHBondContact O-N 2.65Å; E522-S526 PolarHBondContact O-OG 3.49Å; I523-S526 PolarHBondContact O-N 2.86Å; S526-N528 PolarHBondContact O-N 2.75Å; S526-R529 VanDerWaalsContact O-CB 3.26Å; S526-R529 WeakPolarHBondContact O-CB 3.33Å; S526-R529 WeakPolarHBondContact O-CG 3.47Å; S526-R529 PolarHBondContact O-N 3.03Å; S526-I532 VanDerWaalsContact O-CD1 3.22Å; S526-I532 WeakPolarHBondContact O-CD1 3.17Å
527	L	97.8	Very high	97.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-25.1	175.2	-67.4	176.1	0	0	0	113.6	I488 I501 V505 I523 S525 W539 I550	I488-L527 HydrophobicContact CD1-CD2 3.7Å; I501-L527 HydrophobicContact CG1-CD2 4.29Å; I501-L527 HydrophobicContact CG2-CD2 4.05Å; V505-L527 HydrophobicContact CG2-CD1 3.67Å; I523-L527 HydrophobicContact CG2-CD1 4.44Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 2.87Å; S525-L527 PolarHBondContact O-N 2.69Å; L527-W539 HydrophobicContact CB-CH2 4.19Å; L527-W539 HydrophobicContact CB-CZ2 4.41Å; L527-W539 HydrophobicContact CD2-CH2 4.08Å; L527-W539 HydrophobicContact CD2-CZ2 4.45Å; L527-W539 HydrophobicContact CG-CH2 4.49Å; L527-I550 HydrophobicContact CD1-CD1 4.21Å; L527-I550 HydrophobicContact CD1-CG1 4.27Å
528	N	95.6	Very high	97.3	Very high	78 Å²	78	31.4 Å²	31.4	42%	0.417	15%	0.151	S	C	.	.	H	α-helix	trans	-89	-6	176.5	-74.2	-17.4	0	0	0	114	T524 S525 S526 Q554	T524-N528 PolarHBondContact O-N 3.4Å; T524-N528 PolarHBondContact O-ND2 3.04Å; S525-N528 CarbonylContact O-C 3.34Å; S525-N528 WeakPolarHBondContact O-CA 3.46Å; S525-N528 WeakPolarHBondContact O-CB 3.31Å; S525-N528 PolarHBondContact O-N 3.04Å; S526-N528 PolarHBondContact O-N 2.75Å; N528-Q554 VanDerWaalsContact CG-NE2 3.29Å; N528-Q554 PolarHBondContact ND2-NE2 2.81Å; N528-Q554 PolarHBondContact OD1-NE2 3.03Å
529	R	94.9	Very high	97.3	Very high	23 Å²	23	32.9 Å²	32.9	9%	0.087	16%	0.156	C	C	.	.	S	Bend	trans	-56.4	145.3	176.1	-71.6	170.9	171.2	-147.2	-14.6	110.9	Y196 S481 N482 S525 S526 S531 I532 F533	Y196-R529 PolarHBondContact OH-NE 3.27Å; Y196-R529 PolarHBondContact OH-NH1 3.37Å; Y196-R529 PolarHBondContact OH-NH2 3.09Å; S481-R529 PolarHBondContact O-NH1 3.37Å; S481-R529 VanDerWaalsContact O-NH1 3.09Å; N482-R529 VanDerWaalsContact OD1-CZ 3.29Å; N482-R529 PolarHBondContact OD1-NH1 3.43Å; N482-R529 PolarHBondContact OD1-NH2 2.96Å; S525-R529 PolarHBondContact O-N 3.25Å; S525-R529 VanDerWaalsContact O-N 3.13Å; S526-R529 VanDerWaalsContact O-CB 3.26Å; S526-R529 WeakPolarHBondContact O-CB 3.33Å; S526-R529 WeakPolarHBondContact O-CG 3.47Å; S526-R529 PolarHBondContact O-N 3.03Å; R529-S531 PolarHBondContact O-N 3.41Å; R529-S531 VanDerWaalsContact O-N 3.12Å; R529-I532 PolarHBondContact O-N 2.88Å; R529-F533 WeakPolarHBondContact O-CB 3.41Å; R529-F533 PolarHBondContact O-N 2.87Å
530	S	95.4	Very high	97.3	Very high	74 Å²	74	39.8 Å²	39.8	52%	0.517	19%	0.193	S	C	.	.	H	α-helix	trans	-53.6	-36.6	-175.2	62.1	0	0	0	0	113.4	R534	S530-R534 WeakPolarHBondContact O-CB 3.44Å; S530-R534 WeakPolarHBondContact O-CD 3.28Å; S530-R534 WeakPolarHBondContact O-CG 3.2Å
531	S	96.8	Very high	97.2	Very high	4 Å²	4	45 Å²	45	3%	0.028	22%	0.215	C	C	.	.	H	α-helix	trans	-70.4	-29	177.1	56	0	0	0	0	113.9	R529 L651 S655	R529-S531 PolarHBondContact O-N 3.41Å; R529-S531 VanDerWaalsContact O-N 3.12Å; S531-L651 WeakPolarHBondContact CB-O 3.46Å; S531-S655 WeakPolarHBondContact O-CB 3.38Å; S531-S655 PolarHBondContact O-OG 2.76Å
532	I	97.8	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-95.8	-47	179	-46	-170.7	0	0	0	111.1	A485 I488 S526 R529 R534 L535 W539	A485-I532 HydrophobicContact CB-CD1 3.9Å; I488-I532 HydrophobicContact CB-CD1 4.32Å; I488-I532 HydrophobicContact CD1-CD1 3.79Å; I488-I532 HydrophobicContact CG2-CD1 4.34Å; I488-I532 HydrophobicContact CG2-CG2 4Å; S526-I532 VanDerWaalsContact O-CD1 3.22Å; S526-I532 WeakPolarHBondContact O-CD1 3.17Å; R529-I532 PolarHBondContact O-N 2.88Å; I532-R534 PolarHBondContact O-N 3.01Å; I532-L535 HydrophobicContact CG2-CD1 4.43Å; I532-L535 WeakPolarHBondContact O-CB 3.4Å; I532-L535 WeakPolarHBondContact O-CG 3.45Å; I532-L535 PolarHBondContact O-N 2.98Å; I532-W539 HydrophobicContact CG2-CZ2 4.01Å; I532-W539 PolarHBondContact O-NE1 3.36Å
533	F	96.3	Very high	97.3	Very high	113 Å²	113	46 Å²	46	50%	0.496	22%	0.224	S	C	.	.	H	α-helix	trans	-58.6	-26.4	-177.3	-175.3	-103.7	0	0	0	113	R529 K536	R529-F533 WeakPolarHBondContact O-CB 3.41Å; R529-F533 PolarHBondContact O-N 2.87Å; F533-K536 WeakPolarHBondContact O-CE 3.45Å; F533-K536 PolarHBondContact O-NZ 3.2Å
534	R	96.6	Very high	97.2	Very high	47 Å²	47	54.8 Å²	54.8	18%	0.177	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13	177.4	70	177.1	-67.6	-67.6	-10.6	115.6	S530 I532 K536 S655 E659	S530-R534 WeakPolarHBondContact O-CB 3.44Å; S530-R534 WeakPolarHBondContact O-CD 3.28Å; S530-R534 WeakPolarHBondContact O-CG 3.2Å; I532-R534 PolarHBondContact O-N 3.01Å; R534-K536 PolarHBondContact O-N 3.2Å; R534-S655 VanDerWaalsContact CD-OG 3.23Å; R534-S655 WeakPolarHBondContact CD-OG 3.45Å; R534-S655 VanDerWaalsContact CG-OG 3.26Å; R534-S655 WeakPolarHBondContact CG-OG 3.24Å; R534-S655 PolarHBondContact NH1-O 2.61Å; R534-S655 PolarHBondContact NH1-OG 3.08Å; R534-E659 VanDerWaalsContact CZ-O 3.25Å; R534-E659 PolarHBondContact NH1-O 2.77Å; R534-E659 PolarHBondContact NH2-O 3.43Å
535	L	97.1	Very high	97.2	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.295	C	S	.	.			trans	-74.8	63.6	-175.4	-62.4	178	0	0	0	112.9	L489 I532 R537 T538 W539 S655 I658 E659	L489-L535 HydrophobicContact CD2-CD1 3.95Å; I532-L535 HydrophobicContact CG2-CD1 4.43Å; I532-L535 WeakPolarHBondContact O-CB 3.4Å; I532-L535 WeakPolarHBondContact O-CG 3.45Å; I532-L535 PolarHBondContact O-N 2.98Å; L535-R537 VanDerWaalsContact C-N 3.31Å; L535-R537 PolarHBondContact O-N 3.45Å; L535-T538 WeakPolarHBondContact O-CB 3.38Å; L535-T538 PolarHBondContact O-N 3.33Å; L535-T538 VanDerWaalsContact O-N 3.09Å; L535-W539 PolarHBondContact O-N 2.77Å; L535-S655 WeakPolarHBondContact CD2-OG 3.43Å; L535-I658 HydrophobicContact CD2-CG2 4.47Å; L535-E659 VanDerWaalsContact CA-OE2 3.26Å; L535-E659 WeakPolarHBondContact CA-OE2 3.47Å; L535-E659 HydrophobicContact CD2-CB 3.91Å; L535-E659 HydrophobicContact CD2-CG 3.96Å
536	K	96.8	Very high	97.3	Very high	108 Å²	108	60.9 Å²	60.9	47%	0.47	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-32.3	-169.6	-57.3	-46.6	-175.2	-171.5	0	113.7	F533 R534 W539 L540 E659	F533-K536 WeakPolarHBondContact O-CE 3.45Å; F533-K536 PolarHBondContact O-NZ 3.2Å; R534-K536 PolarHBondContact O-N 3.2Å; K536-W539 PolarHBondContact O-N 3.4Å; K536-L540 WeakPolarHBondContact O-CB 3.27Å; K536-L540 VanDerWaalsContact O-CG 3.26Å; K536-L540 WeakPolarHBondContact O-CG 3.36Å; K536-L540 PolarHBondContact O-N 3.34Å; K536-E659 PolarHBondContact N-OE2 3.21Å
537	R	96.7	Very high	97.4	Very high	137 Å²	137	64 Å²	64	52%	0.517	30%	0.301	S	S	.	.	H	α-helix	trans	-69.4	-36.2	175.4	174.3	179.3	62.1	166.3	-2.4	111.5	V494 L535 I658 E659	V494-R537 HydrophobicContact CG2-CG 4.39Å; L535-R537 VanDerWaalsContact C-N 3.31Å; L535-R537 PolarHBondContact O-N 3.45Å; R537-I658 PolarHBondContact NH2-O 3.39Å; R537-E659 HydrophobicContact CB-CG 4.45Å; R537-E659 WeakPolarHBondContact CB-OE2 3.42Å; R537-E659 PolarHBondContact N-OE2 3Å
538	T	98.3	Very high	97.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-52.9	170.5	-51.9	0	0	0	0	110.8	R497 V498 I501 L535 L540 K541 V542 E659	R497-T538 HydrophobicContact CB-CG2 4.45Å; R497-T538 HydrophobicContact CG-CG2 3.9Å; R497-T538 VanDerWaalsContact CZ-OG1 3.3Å; R497-T538 PolarHBondContact NE-OG1 2.78Å; R497-T538 PolarHBondContact NH2-OG1 2.66Å; V498-T538 HydrophobicContact CG2-CG2 3.86Å; I501-T538 HydrophobicContact CD1-CG2 3.7Å; L535-T538 WeakPolarHBondContact O-CB 3.38Å; L535-T538 PolarHBondContact O-N 3.33Å; L535-T538 VanDerWaalsContact O-N 3.09Å; T538-L540 PolarHBondContact O-N 3.23Å; T538-K541 PolarHBondContact O-N 3.44Å; T538-V542 PolarHBondContact O-N 3.43Å; T538-E659 WeakPolarHBondContact CB-OE1 3.43Å; T538-E659 PolarHBondContact N-OE1 3.14Å; T538-E659 PolarHBondContact OG1-OE1 2.94Å
539	W	98.3	Very high	97.5	Very high	39 Å²	39	65 Å²	65	15%	0.148	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-27.9	-179.4	-74.6	114.9	0	0	0	113.8	I501 L527 I532 L535 K536 K541 V542 K547 I550	I501-W539 HydrophobicContact CG2-CH2 4.07Å; I501-W539 HydrophobicContact CG2-CZ3 4.04Å; L527-W539 HydrophobicContact CB-CH2 4.19Å; L527-W539 HydrophobicContact CB-CZ2 4.41Å; L527-W539 HydrophobicContact CD2-CH2 4.08Å; L527-W539 HydrophobicContact CD2-CZ2 4.45Å; L527-W539 HydrophobicContact CG-CH2 4.49Å; I532-W539 HydrophobicContact CG2-CZ2 4.01Å; I532-W539 PolarHBondContact O-NE1 3.36Å; L535-W539 PolarHBondContact O-N 2.77Å; K536-W539 PolarHBondContact O-N 3.4Å; W539-K541 VanDerWaalsContact C-N 3.32Å; W539-K541 PolarHBondContact O-N 3.33Å; W539-V542 HydrophobicContact CE3-CB 4.29Å; W539-V542 HydrophobicContact CE3-CG2 3.95Å; W539-V542 HydrophobicContact CZ3-CG1 4.45Å; W539-V542 HydrophobicContact CZ3-CG2 4.27Å; W539-K547 WeakPolarHBondContact O-CE 3.2Å; W539-K547 PolarHBondContact O-NZ 2.85Å; W539-I550 HydrophobicContact CH2-CD1 4.12Å; W539-I550 HydrophobicContact CZ3-CD1 3.75Å
540	L	97.9	Very high	97.7	Very high	145 Å²	145	64.4 Å²	64.4	76%	0.759	31%	0.308	S	S	*	.	H	α-helix	trans	-63.2	-36.1	171.4	-80.6	167.3	0	0	0	112.7	K536 T538	K536-L540 WeakPolarHBondContact O-CB 3.27Å; K536-L540 VanDerWaalsContact O-CG 3.26Å; K536-L540 WeakPolarHBondContact O-CG 3.36Å; K536-L540 PolarHBondContact O-N 3.34Å; T538-L540 PolarHBondContact O-N 3.23Å
541	K	98.4	Very high	97.9	Very high	109 Å²	109	65.6 Å²	65.6	47%	0.474	31%	0.309	S	S	.	.	H	α-helix	trans	-82.4	-28.2	-179.2	-80.9	-171.3	169.2	-172.9	0	114.8	V494 N495 V498 T538 W539 S543	V494-K541 HydrophobicContact CG1-CD 3.94Å; V494-K541 HydrophobicContact CG2-CD 4.09Å; N495-K541 PolarHBondContact OD1-NZ 2.64Å; V498-K541 HydrophobicContact CG2-CB 3.67Å; T538-K541 PolarHBondContact O-N 3.44Å; W539-K541 VanDerWaalsContact C-N 3.32Å; W539-K541 PolarHBondContact O-N 3.33Å; K541-S543 PolarHBondContact O-N 3.19Å
542	V	98.5	Very high	97.9	Very high	3 Å²	3	71.9 Å²	71.9	2%	0.018	34%	0.336	C	S	.	.	S	Bend	trans	-53.3	134	174.8	176.3	0	0	0	0	110.3	V498 I501 E502 T538 W539 T546 K547	V498-V542 HydrophobicContact CG1-CG2 4.26Å; V498-V542 HydrophobicContact CG2-CG2 4.04Å; I501-V542 HydrophobicContact CB-CG2 4.49Å; I501-V542 HydrophobicContact CD1-CG2 4.42Å; I501-V542 HydrophobicContact CG2-CG1 4.5Å; I501-V542 HydrophobicContact CG2-CG2 4.08Å; E502-V542 HydrophobicContact CG-CG1 4.36Å; T538-V542 PolarHBondContact O-N 3.43Å; W539-V542 HydrophobicContact CE3-CB 4.29Å; W539-V542 HydrophobicContact CE3-CG2 3.95Å; W539-V542 HydrophobicContact CZ3-CG1 4.45Å; W539-V542 HydrophobicContact CZ3-CG2 4.27Å; V542-T546 HydrophobicContact CG1-CG2 3.73Å; V542-K547 HydrophobicContact CG1-CG 4.28Å; V542-K547 VanDerWaalsContact O-CE 3.3Å; V542-K547 WeakPolarHBondContact O-CE 3.38Å; V542-K547 PolarHBondContact O-NZ 2.85Å
543	S	98.3	Very high	98	Very high	43 Å²	43	72 Å²	72	30%	0.301	34%	0.336	S	S	.	.			trans	-67.2	157.7	-170.6	75.1	0	0	0	0	113.2	E502 K541 Q545 T546 K547	E502-S543 WeakPolarHBondContact OE1-CB 3.41Å; E502-S543 PolarHBondContact OE1-N 3.48Å; E502-S543 PolarHBondContact OE1-OG 2.85Å; K541-S543 PolarHBondContact O-N 3.19Å; S543-Q545 PolarHBondContact O-N 2.89Å; S543-T546 PolarHBondContact O-N 3.04Å; S543-T546 PolarHBondContact OG-N 3.35Å; S543-T546 PolarHBondContact OG-OG1 3.48Å; S543-K547 WeakPolarHBondContact O-CG 3.46Å; S543-K547 PolarHBondContact O-N 3.38Å; S543-K547 VanDerWaalsContact O-N 3.12Å
544	K	98.1	Very high	98.1	Very high	183 Å²	183	69 Å²	69	80%	0.796	32%	0.324	S	S	*	.	H	α-helix	trans	-62.2	-34.3	175.4	-66.2	-175.3	-179.5	-179.7	0	111.9	T548	K544-T548 PolarHBondContact O-N 3.02Å; K544-T548 PolarHBondContact O-OG1 3.24Å
545	Q	98.3	Very high	98.2	Very high	156 Å²	156	73.9 Å²	73.9	73%	0.729	35%	0.346	S	S	*	.	H	α-helix	trans	-65.3	-50.5	177.7	-179.9	170.1	-23.4	0	0	111.1	S543 K547 T548 V549	S543-Q545 PolarHBondContact O-N 2.89Å; Q545-K547 VanDerWaalsContact C-N 3.33Å; Q545-K547 PolarHBondContact O-N 2.74Å; Q545-T548 WeakPolarHBondContact O-CB 3.2Å; Q545-T548 PolarHBondContact O-N 3.35Å; Q545-T548 VanDerWaalsContact O-N 3.13Å; Q545-V549 PolarHBondContact O-N 3.03Å
546	T	98.5	Very high	98.2	Very high	16 Å²	16	75.4 Å²	75.4	10%	0.098	35%	0.354	C	S	.	.	H	α-helix	trans	-57.4	-44.7	176.3	-59.6	0	0	0	0	111.7	E502 V505 V542 S543 T548 V549 I550	E502-T546 HydrophobicContact CB-CG2 4.26Å; E502-T546 VanDerWaalsContact CD-OG1 3.29Å; E502-T546 HydrophobicContact CG-CG2 4.03Å; E502-T546 WeakPolarHBondContact OE1-CB 3.35Å; E502-T546 PolarHBondContact OE1-OG1 3.39Å; V505-T546 HydrophobicContact CB-CG2 3.79Å; V505-T546 HydrophobicContact CG1-CG2 3.8Å; V505-T546 HydrophobicContact CG2-CG2 3.79Å; V542-T546 HydrophobicContact CG1-CG2 3.73Å; S543-T546 PolarHBondContact O-N 3.04Å; S543-T546 PolarHBondContact OG-N 3.35Å; S543-T546 PolarHBondContact OG-OG1 3.48Å; T546-T548 PolarHBondContact O-N 3.29Å; T546-V549 WeakPolarHBondContact O-CA 3.31Å; T546-V549 WeakPolarHBondContact O-CB 3.39Å; T546-V549 PolarHBondContact O-N 3.22Å; T546-I550 HydrophobicContact CG2-CD1 4.29Å; T546-I550 WeakPolarHBondContact O-CG1 3.41Å; T546-I550 PolarHBondContact O-N 3.06Å
547	K	98.4	Very high	98.3	Very high	65 Å²	65	70.4 Å²	70.4	28%	0.283	33%	0.333	S	S	.	.	H	α-helix	trans	-57.2	-46.6	174.3	-73.3	161.1	177.6	155.3	0	112.3	W539 V542 S543 Q545 V549 I550 D551	W539-K547 WeakPolarHBondContact O-CE 3.2Å; W539-K547 PolarHBondContact O-NZ 2.85Å; V542-K547 HydrophobicContact CG1-CG 4.28Å; V542-K547 VanDerWaalsContact O-CE 3.3Å; V542-K547 WeakPolarHBondContact O-CE 3.38Å; V542-K547 PolarHBondContact O-NZ 2.85Å; S543-K547 WeakPolarHBondContact O-CG 3.46Å; S543-K547 PolarHBondContact O-N 3.38Å; S543-K547 VanDerWaalsContact O-N 3.12Å; Q545-K547 VanDerWaalsContact C-N 3.33Å; Q545-K547 PolarHBondContact O-N 2.74Å; K547-V549 PolarHBondContact O-N 2.74Å; K547-I550 WeakPolarHBondContact O-CB 3.42Å; K547-I550 PolarHBondContact O-N 3.44Å; K547-I550 VanDerWaalsContact O-N 3.09Å; K547-D551 PolarHBondContact O-N 2.96Å
548	T	98.6	Very high	98.3	Very high	68 Å²	68	65.6 Å²	65.6	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-24.8	175.8	-57.3	0	0	0	0	113.4	K544 Q545 T546 K552	K544-T548 PolarHBondContact O-N 3.02Å; K544-T548 PolarHBondContact O-OG1 3.24Å; Q545-T548 WeakPolarHBondContact O-CB 3.2Å; Q545-T548 PolarHBondContact O-N 3.35Å; Q545-T548 VanDerWaalsContact O-N 3.13Å; T546-T548 PolarHBondContact O-N 3.29Å; T548-K552 WeakPolarHBondContact O-CD 3.32Å; T548-K552 VanDerWaalsContact O-CG 3.23Å; T548-K552 WeakPolarHBondContact O-CG 3.36Å
549	V	98.7	Very high	98.2	Very high	31 Å²	31	68.8 Å²	68.8	19%	0.188	34%	0.343	C	S	.	.	H	α-helix	trans	-77.9	-44.6	171.4	178	0	0	0	0	110.8	V505 D509 Q545 T546 K547 D551 K552 L553	V505-V549 HydrophobicContact CG1-CB 3.81Å; V505-V549 HydrophobicContact CG1-CG1 3.57Å; D509-V549 HydrophobicContact CB-CG1 4Å; Q545-V549 PolarHBondContact O-N 3.03Å; T546-V549 WeakPolarHBondContact O-CA 3.31Å; T546-V549 WeakPolarHBondContact O-CB 3.39Å; T546-V549 PolarHBondContact O-N 3.22Å; K547-V549 PolarHBondContact O-N 2.74Å; V549-D551 VanDerWaalsContact C-N 3.34Å; V549-D551 PolarHBondContact O-N 2.92Å; V549-K552 PolarHBondContact O-N 3.26Å; V549-L553 HydrophobicContact CG1-CD1 3.75Å; V549-L553 HydrophobicContact CG1-CG 4.21Å; V549-L553 WeakPolarHBondContact O-CG 3.47Å; V549-L553 PolarHBondContact O-N 3.17Å
550	I	98.6	Very high	98	Very high	11 Å²	11	73.7 Å²	73.7	6%	0.056	37%	0.367	C	S	.	.	H	α-helix	trans	-53.2	-51.1	173	-64.9	167.9	0	0	0	110.5	V505 L527 W539 T546 K547 K552 L553 Q554	V505-I550 HydrophobicContact CB-CG1 4.48Å; V505-I550 HydrophobicContact CG1-CG1 4.05Å; V505-I550 HydrophobicContact CG2-CD1 3.83Å; V505-I550 HydrophobicContact CG2-CG1 3.52Å; L527-I550 HydrophobicContact CD1-CD1 4.21Å; L527-I550 HydrophobicContact CD1-CG1 4.27Å; W539-I550 HydrophobicContact CH2-CD1 4.12Å; W539-I550 HydrophobicContact CZ3-CD1 3.75Å; T546-I550 HydrophobicContact CG2-CD1 4.29Å; T546-I550 WeakPolarHBondContact O-CG1 3.41Å; T546-I550 PolarHBondContact O-N 3.06Å; K547-I550 WeakPolarHBondContact O-CB 3.42Å; K547-I550 PolarHBondContact O-N 3.44Å; K547-I550 VanDerWaalsContact O-N 3.09Å; I550-K552 VanDerWaalsContact C-N 3.28Å; I550-K552 PolarHBondContact O-N 2.71Å; I550-L553 PolarHBondContact O-N 3.18Å; I550-Q554 HydrophobicContact CG2-CG 4.05Å; I550-Q554 WeakPolarHBondContact O-CB 3.3Å; I550-Q554 WeakPolarHBondContact O-CG 3.36Å; I550-Q554 PolarHBondContact O-N 3.15Å
551	D	98.4	Very high	97.8	Very high	99 Å²	99	69.6 Å²	69.6	53%	0.529	36%	0.36	S	S	.	.	H	α-helix	trans	-57.4	-40	-178.9	-60.2	-33	0	0	0	112.2	K547 V549 K555	K547-D551 PolarHBondContact O-N 2.96Å; V549-D551 VanDerWaalsContact C-N 3.34Å; V549-D551 PolarHBondContact O-N 2.92Å; D551-K555 VanDerWaalsContact O-CB 3.28Å; D551-K555 WeakPolarHBondContact O-CB 3.39Å; D551-K555 PolarHBondContact O-N 2.6Å
552	K	98.6	Very high	97.7	Very high	137 Å²	137	71.9 Å²	71.9	60%	0.596	37%	0.366	S	S	*	.	H	α-helix	trans	-68.8	-45.6	177.6	-73.8	168.8	-176.9	175	0	112	T548 V549 I550 K555 L556	T548-K552 WeakPolarHBondContact O-CD 3.32Å; T548-K552 VanDerWaalsContact O-CG 3.23Å; T548-K552 WeakPolarHBondContact O-CG 3.36Å; V549-K552 PolarHBondContact O-N 3.26Å; I550-K552 VanDerWaalsContact C-N 3.28Å; I550-K552 PolarHBondContact O-N 2.71Å; K552-K555 PolarHBondContact O-N 2.85Å; K552-L556 PolarHBondContact O-N 2.92Å
553	L	98.7	Very high	97.7	Very high	2 Å²	2	73.2 Å²	73.2	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-66.9	-46.5	-179.7	-66.6	171	0	0	0	110.7	A508 D509 R512 V520 T524 V549 I550 K555 L556 V557	A508-L553 HydrophobicContact CB-CD1 3.67Å; D509-L553 HydrophobicContact CB-CD1 4.49Å; R512-L553 HydrophobicContact CB-CD2 4Å; R512-L553 HydrophobicContact CG-CD2 4.31Å; V520-L553 HydrophobicContact CG1-CB 4.17Å; V520-L553 HydrophobicContact CG1-CD2 3.96Å; T524-L553 HydrophobicContact CG2-CB 3.64Å; T524-L553 HydrophobicContact CG2-CD1 4.5Å; V549-L553 HydrophobicContact CG1-CD1 3.75Å; V549-L553 HydrophobicContact CG1-CG 4.21Å; V549-L553 WeakPolarHBondContact O-CG 3.47Å; V549-L553 PolarHBondContact O-N 3.17Å; I550-L553 PolarHBondContact O-N 3.18Å; L553-K555 VanDerWaalsContact C-N 3.31Å; L553-K555 PolarHBondContact O-N 3.15Å; L553-L556 WeakPolarHBondContact O-CB 3.33Å; L553-L556 PolarHBondContact O-N 3.24Å; L553-V557 WeakPolarHBondContact O-CG2 3.24Å; L553-V557 PolarHBondContact O-N 3.21Å; L553-V557 VanDerWaalsContact O-N 3.11Å
554	Q	98.1	Very high	97.6	Very high	51 Å²	51	77.2 Å²	77.2	24%	0.238	38%	0.383	C	S	.	.	H	α-helix	trans	-58.8	-41	174.7	-73.8	-177.1	-4.3	0	0	112	T524 N528 I550 L556 S558	T524-Q554 HydrophobicContact CG2-CG 4.04Å; N528-Q554 VanDerWaalsContact CG-NE2 3.29Å; N528-Q554 PolarHBondContact ND2-NE2 2.81Å; N528-Q554 PolarHBondContact OD1-NE2 3.03Å; I550-Q554 HydrophobicContact CG2-CG 4.05Å; I550-Q554 WeakPolarHBondContact O-CB 3.3Å; I550-Q554 WeakPolarHBondContact O-CG 3.36Å; I550-Q554 PolarHBondContact O-N 3.15Å; Q554-L556 VanDerWaalsContact C-N 3.33Å; Q554-L556 PolarHBondContact O-N 3.28Å; Q554-S558 WeakPolarHBondContact O-CA 3.44Å; Q554-S558 WeakPolarHBondContact O-CB 3.27Å; Q554-S558 PolarHBondContact O-N 2.76Å
555	K	98.3	Very high	97.6	Very high	149 Å²	149	70.5 Å²	70.5	65%	0.648	36%	0.356	S	S	*	.	H	α-helix	trans	-64.1	-35.3	174.6	-176	171.6	-178.1	174.1	0	113	D551 K552 L553 N565	D551-K555 VanDerWaalsContact O-CB 3.28Å; D551-K555 WeakPolarHBondContact O-CB 3.39Å; D551-K555 PolarHBondContact O-N 2.6Å; K552-K555 PolarHBondContact O-N 2.85Å; L553-K555 VanDerWaalsContact C-N 3.31Å; L553-K555 PolarHBondContact O-N 3.15Å; K555-N565 PolarHBondContact O-ND2 3.21Å
556	L	98.4	Very high	97.6	Very high	32 Å²	32	63 Å²	63	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-48.1	178.2	171	63	0	0	0	112	R512 Y517 K552 L553 Q554 L566 A569	R512-L556 HydrophobicContact CG-CD2 3.71Å; Y517-L556 HydrophobicContact CD1-CD2 4.14Å; Y517-L556 HydrophobicContact CE1-CD1 4.47Å; Y517-L556 HydrophobicContact CE1-CD2 4.06Å; K552-L556 PolarHBondContact O-N 2.92Å; L553-L556 WeakPolarHBondContact O-CB 3.33Å; L553-L556 PolarHBondContact O-N 3.24Å; Q554-L556 VanDerWaalsContact C-N 3.33Å; Q554-L556 PolarHBondContact O-N 3.28Å; L556-L566 PolarHBondContact O-N 3.18Å; L556-L566 VanDerWaalsContact O-N 3.13Å; L556-A569 HydrophobicContact CD1-CB 3.89Å
557	V	98.1	Very high	97.6	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-95.6	6.9	-177.5	-58.9	0	0	0	0	114.5	V520 L521 L553 S559 F563	V520-V557 HydrophobicContact CB-CG1 4.1Å; V520-V557 HydrophobicContact CG1-CG1 3.58Å; V520-V557 HydrophobicContact CG1-CG2 4.27Å; L521-V557 HydrophobicContact CB-CB 4.19Å; L521-V557 HydrophobicContact CB-CG1 4.41Å; L521-V557 HydrophobicContact CB-CG2 4.13Å; L521-V557 HydrophobicContact CD1-CB 4.06Å; L521-V557 HydrophobicContact CD1-CG2 3.65Å; L521-V557 HydrophobicContact CG-CG2 4.48Å; L553-V557 WeakPolarHBondContact O-CG2 3.24Å; L553-V557 PolarHBondContact O-N 3.21Å; L553-V557 VanDerWaalsContact O-N 3.11Å; V557-S559 PolarHBondContact O-N 2.88Å; V557-F563 WeakPolarHBondContact O-CD1 3.35Å; V557-F563 WeakPolarHBondContact O-CE1 3.19Å
558	S	97.2	Very high	97.5	Very high	35 Å²	35	67.9 Å²	67.9	25%	0.245	34%	0.341	C	S	.	.			trans	-52.7	135.8	177.1	178.1	0	0	0	0	112.1	Q554 E560 F563	Q554-S558 WeakPolarHBondContact O-CA 3.44Å; Q554-S558 WeakPolarHBondContact O-CB 3.27Å; Q554-S558 PolarHBondContact O-N 2.76Å; S558-E560 PolarHBondContact O-N 2.99Å; S558-E560 VanDerWaalsContact OG-CB 3.31Å; S558-E560 WeakPolarHBondContact OG-CB 3.4Å; S558-E560 PolarHBondContact OG-N 3.46Å; S558-F563 WeakPolarHBondContact O-CA 3.49Å
559	S	95.8	Very high	97.5	Very high	68 Å²	68	65.7 Å²	65.7	48%	0.476	33%	0.33	S	S	.	.			trans	-69.2	-9.1	174.4	56.9	0	0	0	0	113.7	V557 G561 R562 F563	V557-S559 PolarHBondContact O-N 2.88Å; S559-G561 PolarHBondContact O-N 3.17Å; S559-R562 VanDerWaalsContact O-CA 3.32Å; S559-R562 WeakPolarHBondContact O-CA 3.38Å; S559-R562 PolarHBondContact O-N 2.99Å; S559-F563 PolarHBondContact O-N 3.31Å
560	E	94.3	Very high	97.4	Very high	141 Å²	141	64.6 Å²	64.6	66%	0.659	32%	0.322	S	S	*	.	H	α-helix	trans	-50.2	134.9	177.6	-167.7	-169.5	163.8	0	0	112.3	S558 R562 F563 K564	S558-E560 PolarHBondContact O-N 2.99Å; S558-E560 VanDerWaalsContact OG-CB 3.31Å; S558-E560 WeakPolarHBondContact OG-CB 3.4Å; S558-E560 PolarHBondContact OG-N 3.46Å; E560-R562 PolarHBondContact O-N 3.43Å; E560-F563 PolarHBondContact O-N 2.87Å; E560-K564 PolarHBondContact O-N 3.27Å
561	G	94.8	Very high	97.1	Very high	60 Å²	60	72.7 Å²	72.7	62%	0.619	36%	0.357	S	S	*	.	H	α-helix	trans	63.1	22.9	-177.2	0	0	0	0	0	114.3	S559	S559-G561 PolarHBondContact O-N 3.17Å
562	R	95.2	Very high	96.8	Very high	156 Å²	156	73.9 Å²	73.9	59%	0.589	36%	0.364	S	S	*	.	H	α-helix	trans	61.5	58	-168.4	-57	-174.9	-66.8	146	-4	112.1	S559 E560 R567 D587	S559-R562 VanDerWaalsContact O-CA 3.32Å; S559-R562 WeakPolarHBondContact O-CA 3.38Å; S559-R562 PolarHBondContact O-N 2.99Å; E560-R562 PolarHBondContact O-N 3.43Å; R562-R567 PolarHBondContact O-NE 3.12Å; R562-R567 PolarHBondContact O-NH2 3.39Å; R562-D587 IonicContact NH1-OD1 3.67Å; R562-D587 PolarHBondContact NH1-OD1 3.43Å
563	F	97.7	Very high	96.5	Very high	31 Å²	31	67.9 Å²	67.9	14%	0.136	34%	0.339	C	S	.	.	H	α-helix	trans	62.5	40.5	-179.1	-60.5	-84.2	0	0	0	113.9	L521 V557 S558 S559 E560 N565 L566 R567 Y580 M583	L521-F563 HydrophobicContact CD2-CE1 4.49Å; V557-F563 WeakPolarHBondContact O-CD1 3.35Å; V557-F563 WeakPolarHBondContact O-CE1 3.19Å; S558-F563 WeakPolarHBondContact O-CA 3.49Å; S559-F563 PolarHBondContact O-N 3.31Å; E560-F563 PolarHBondContact O-N 2.87Å; F563-N565 PolarHBondContact O-N 2.98Å; F563-L566 HydrophobicContact CB-CB 4.26Å; F563-L566 HydrophobicContact CB-CD2 4.44Å; F563-L566 HydrophobicContact CD1-CD2 4.22Å; F563-L566 PolarHBondContact O-N 3.46Å; F563-R567 WeakPolarHBondContact O-CG 3.36Å; F563-R567 PolarHBondContact O-N 3.08Å; F563-Y580 HydrophobicContact CE1-CD1 4.1Å; F563-Y580 HydrophobicContact CE1-CE1 4.12Å; F563-Y580 HydrophobicContact CE2-CE1 4.2Å; F563-Y580 HydrophobicContact CZ-CD1 4.06Å; F563-Y580 AromaticContact CZ-CE1 3.67Å; F563-Y580 HydrophobicContact CZ-CE1 3.67Å; F563-M583 HydrophobicContact CB-CG 3.95Å; F563-M583 HydrophobicContact CB-SD 3.76Å; F563-M583 HydrophobicContact CD2-CB 4.04Å; F563-M583 HydrophobicContact CD2-CG 3.89Å; F563-M583 HydrophobicContact CE2-CB 4.49Å; F563-M583 HydrophobicContact CG-CB 4.37Å; F563-M583 HydrophobicContact CG-CG 4.12Å; F563-M583 HydrophobicContact CG-SD 4.44Å
564	K	97.8	Very high	96.2	Very high	127 Å²	127	74.3 Å²	74.3	55%	0.552	37%	0.373	S	S	*	.	H	α-helix	trans	-53.8	-48.8	-173.2	-176.4	-162.8	166.5	-161.4	0	112.7	E560 R567 E568	E560-K564 PolarHBondContact O-N 3.27Å; K564-R567 PolarHBondContact O-N 3.37Å; K564-E568 PolarHBondContact O-N 3.42Å
565	N	98.1	Very high	95.9	Very high	42 Å²	42	74 Å²	74	23%	0.225	38%	0.376	C	S	.	.	H	α-helix	trans	-69.8	-39.3	-174.1	-57.5	-25.2	0	0	0	111.4	K555 F563 E568 A569	K555-N565 PolarHBondContact O-ND2 3.21Å; F563-N565 PolarHBondContact O-N 2.98Å; N565-E568 PolarHBondContact O-N 3.21Å; N565-A569 PolarHBondContact O-N 2.95Å
566	L	98.1	Very high	95.8	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-42.3	173.9	175	59.6	0	0	0	112	Y517 L556 F563 E568 A569 L570 M583	Y517-L566 HydrophobicContact CD1-CD1 3.83Å; Y517-L566 HydrophobicContact CD2-CD1 4.24Å; Y517-L566 HydrophobicContact CG-CD1 3.59Å; L556-L566 PolarHBondContact O-N 3.18Å; L556-L566 VanDerWaalsContact O-N 3.13Å; F563-L566 HydrophobicContact CB-CB 4.26Å; F563-L566 HydrophobicContact CB-CD2 4.44Å; F563-L566 HydrophobicContact CD1-CD2 4.22Å; F563-L566 PolarHBondContact O-N 3.46Å; L566-E568 VanDerWaalsContact C-N 3.3Å; L566-E568 PolarHBondContact O-N 2.96Å; L566-A569 WeakPolarHBondContact O-CB 3.5Å; L566-A569 PolarHBondContact O-N 2.75Å; L566-L570 HydrophobicContact CD1-CD1 3.97Å; L566-L570 HydrophobicContact CD1-CG 4.01Å; L566-L570 HydrophobicContact CG-CD1 3.93Å; L566-L570 HydrophobicContact CG-CG 4.41Å; L566-L570 WeakPolarHBondContact O-CB 3.43Å; L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 3.35Å; L566-M583 HydrophobicContact CD2-SD 4.2Å; L566-M583 HydrophobicContact CG-SD 4.36Å
567	R	97.8	Very high	95.8	Very high	74 Å²	74	67.4 Å²	67.4	28%	0.279	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-38	173.9	-68.9	176.1	-166.1	-91.7	6.2	112.4	R562 F563 K564 K571 M583 D587	R562-R567 PolarHBondContact O-NE 3.12Å; R562-R567 PolarHBondContact O-NH2 3.39Å; F563-R567 WeakPolarHBondContact O-CG 3.36Å; F563-R567 PolarHBondContact O-N 3.08Å; K564-R567 PolarHBondContact O-N 3.37Å; R567-K571 WeakPolarHBondContact O-CB 3.37Å; R567-K571 PolarHBondContact O-N 3.33Å; R567-M583 HydrophobicContact CG-CE 4.19Å; R567-M583 HydrophobicContact CG-SD 3.42Å; R567-M583 WeakPolarHBondContact CG-SD 3.32Å; R567-D587 IonicContact CZ-OD2 2.82Å; R567-D587 IonicContact NH1-OD2 3.19Å; R567-D587 PolarHBondContact NH1-OD2 2.97Å; R567-D587 VanDerWaalsContact NH2-CG 3.31Å; R567-D587 IonicContact NH2-OD1 2.74Å; R567-D587 PolarHBondContact NH2-OD1 3.04Å; R567-D587 VanDerWaalsContact NH2-OD1 3.17Å; R567-D587 IonicContact NH2-OD2 3.31Å; R567-D587 PolarHBondContact NH2-OD2 3.39Å
568	E	97.2	Very high	95.8	Very high	109 Å²	109	67.3 Å²	67.3	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-68.6	-34.7	175.7	-172.3	160.7	-164.1	0	0	111.8	K564 N565 L566 N572	K564-E568 PolarHBondContact O-N 3.42Å; N565-E568 PolarHBondContact O-N 3.21Å; L566-E568 VanDerWaalsContact C-N 3.3Å; L566-E568 PolarHBondContact O-N 2.96Å; E568-N572 PolarHBondContact O-ND2 3.41Å
569	A	97.2	Very high	95.8	Very high	22 Å²	22	65.7 Å²	65.7	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-54.9	170	0	0	0	0	0	111.9	Y517 L556 N565 L566 K571 N572 C573	Y517-A569 HydrophobicContact CE1-CB 4.06Å; L556-A569 HydrophobicContact CD1-CB 3.89Å; N565-A569 PolarHBondContact O-N 2.95Å; L566-A569 WeakPolarHBondContact O-CB 3.5Å; L566-A569 PolarHBondContact O-N 2.75Å; A569-K571 VanDerWaalsContact C-N 3.28Å; A569-K571 PolarHBondContact O-N 2.76Å; A569-N572 CarbonylContact O-C 3.57Å; A569-N572 PolarHBondContact O-N 3.25Å; A569-C573 WeakPolarHBondContact O-CB 3.45Å; A569-C573 PolarHBondContact O-N 3.38Å; A569-C573 VanDerWaalsContact O-N 3.13Å
570	L	96.4	Very high	95.9	Very high	7 Å²	7	64 Å²	64	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-58.4	-36	-178.9	-71.2	171	0	0	0	113.1	Y517 L566 N572 C573 C577 P579 M583 F622	Y517-L570 HydrophobicContact CD2-CD2 3.61Å; Y517-L570 HydrophobicContact CD2-CG 4.39Å; Y517-L570 HydrophobicContact CE2-CD2 3.82Å; L566-L570 HydrophobicContact CD1-CD1 3.97Å; L566-L570 HydrophobicContact CD1-CG 4.01Å; L566-L570 HydrophobicContact CG-CD1 3.93Å; L566-L570 HydrophobicContact CG-CG 4.41Å; L566-L570 WeakPolarHBondContact O-CB 3.43Å; L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 3.35Å; L570-N572 PolarHBondContact O-N 3.11Å; L570-C573 WeakPolarHBondContact O-CB 3.48Å; L570-C573 PolarHBondContact O-N 2.99Å; L570-C577 WeakPolarHBondContact CD2-SG 3.31Å; L570-P579 HydrophobicContact CD1-CB 3.85Å; L570-P579 HydrophobicContact CD2-CB 3.83Å; L570-M583 HydrophobicContact CD1-CE 3.67Å; L570-F622 HydrophobicContact CB-CZ 4.42Å; L570-F622 HydrophobicContact CD2-CE2 4.15Å; L570-F622 HydrophobicContact CD2-CZ 4.1Å
571	K	94.2	Very high	96.1	Very high	181 Å²	181	57.7 Å²	57.7	79%	0.787	29%	0.292	S	S	*	.	H	α-helix	trans	-65.3	-26.1	176	178.9	179.9	172.7	-166.8	0	113.5	R567 A569	R567-K571 WeakPolarHBondContact O-CB 3.37Å; R567-K571 PolarHBondContact O-N 3.33Å; A569-K571 VanDerWaalsContact C-N 3.28Å; A569-K571 PolarHBondContact O-N 2.76Å
572	N	91.1	Very high	96.2	Very high	124 Å²	124	55.5 Å²	55.5	66%	0.663	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	15.3	178.6	-60.4	-61.8	0	0	0	111.8	E568 A569 L570	E568-N572 PolarHBondContact O-ND2 3.41Å; A569-N572 CarbonylContact O-C 3.57Å; A569-N572 PolarHBondContact O-N 3.25Å; L570-N572 PolarHBondContact O-N 3.11Å
573	C	92.8	Very high	96.3	Very high	12 Å²	12	48.1 Å²	48.1	8%	0.081	24%	0.242	C	C	.	.			trans	-103	114.7	-176.9	-176.3	0	0	0	0	110.3	H515 A569 L570	H515-C573 VanDerWaalsContact CG-SG 3.5Å; H515-C573 PolarHBondContact ND1-SG 2.95Å; H515-C573 VanDerWaalsContact ND1-SG 3.37Å; A569-C573 WeakPolarHBondContact O-CB 3.45Å; A569-C573 PolarHBondContact O-N 3.38Å; A569-C573 VanDerWaalsContact O-N 3.13Å; L570-C573 WeakPolarHBondContact O-CB 3.48Å; L570-C573 PolarHBondContact O-N 2.99Å
574	D	91.2	Very high	96.3	Very high	136 Å²	136	47 Å²	47	73%	0.727	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-78.7	136.6	166.7	-71.8	-49.9	0	0	0	109.7
575	P	93.3	Very high	96.3	Very high	45 Å²	45	41.6 Å²	41.6	29%	0.292	21%	0.214	S	C	.	.	S	Bend	trans	-60.3	153.6	177.1	-22.4	32.3	0	0	0	113.5	F622 T625	P575-F622 HydrophobicContact CB-CD1 4.46Å; P575-F622 HydrophobicContact CG-CD1 3.98Å; P575-F622 HydrophobicContact CG-CE1 4.35Å; P575-T625 HydrophobicContact CB-CG2 4.01Å
576	P	96.1	Very high	96.2	Very high	42 Å²	42	43.4 Å²	43.4	27%	0.273	23%	0.227	S	C	.	.	S	Bend	cis	-74.8	154.1	7.2	32.4	-37.6	0	0	0	113.5	H515 T625 Y627	H515-P576 PolarHBondContact ND1-O 3.37Å; P576-T625 HydrophobicContact CB-CG2 4.23Å; P576-T625 WeakPolarHBondContact CB-O 3.42Å; P576-Y627 HydrophobicContact CB-CD1 3.96Å; P576-Y627 HydrophobicContact CB-CD2 3.95Å; P576-Y627 HydrophobicContact CB-CE1 3.87Å; P576-Y627 HydrophobicContact CB-CE2 3.86Å; P576-Y627 HydrophobicContact CB-CG 4.01Å; P576-Y627 HydrophobicContact CG-CD1 3.87Å; P576-Y627 HydrophobicContact CG-CE1 3.87Å; P576-Y627 HydrophobicContact CG-CG 4.31Å
577	C	97.5	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.			trans	-162.2	150	-177.7	175.4	0	0	0	0	109.3	H515 L570 F622 Y627	H515-C577 HydrophobicContact CB-CB 3.98Å; H515-C577 WeakPolarHBondContact O-CA 3.26Å; H515-C577 PolarHBondContact O-SG 3.43Å; L570-C577 WeakPolarHBondContact CD2-SG 3.31Å; C577-F622 HydrophobicContact CB-CD1 3.51Å; C577-F622 HydrophobicContact CB-CE1 3.85Å; C577-F622 HydrophobicContact CB-CG 4.16Å; C577-Y627 WeakPolarHBondContact CA-OH 3.37Å; C577-Y627 PolarHBondContact N-OH 3.5Å
578	V	98.1	Very high	96.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-119.4	110.5	163.8	-168.3	0	0	0	0	109	D441 H442 F445 H515 N516 Y517 N518 Y627	D441-V578 HydrophobicContact CB-CG1 4.21Å; D441-V578 HydrophobicContact CB-CG2 4.24Å; H442-V578 HydrophobicContact CB-CG2 3.86Å; F445-V578 HydrophobicContact CB-CG1 4.2Å; F445-V578 HydrophobicContact CD1-CG1 4.5Å; F445-V578 HydrophobicContact CG-CG1 4.26Å; H515-V578 PolarHBondContact O-N 2.87Å; N516-V578 HydrophobicContact CB-CB 4.47Å; Y517-V578 PolarHBondContact N-O 2.69Å; N518-V578 HydrophobicContact CB-CB 4.45Å; N518-V578 HydrophobicContact CB-CG1 3.84Å; N518-V578 PolarHBondContact N-O 3.02Å; V578-Y627 HydrophobicContact CG2-CE2 3.79Å; V578-Y627 PolarHBondContact N-OH 3.09Å
579	P	97.6	Very high	96.1	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.198	C	C	.	.			trans	-82.1	152.8	175.2	34.5	-34.7	0	0	0	111.4	F445 L570 L581 Y584 F622	F445-P579 HydrophobicContact CE1-CG 4.27Å; F445-P579 HydrophobicContact CE2-CG 3.72Å; F445-P579 HydrophobicContact CZ-CG 3.54Å; L570-P579 HydrophobicContact CD1-CB 3.85Å; L570-P579 HydrophobicContact CD2-CB 3.83Å; P579-L581 PolarHBondContact O-N 2.91Å; P579-L581 VanDerWaalsContact O-N 3.11Å; P579-Y584 HydrophobicContact CB-CE2 3.84Å; P579-Y584 HydrophobicContact CG-CE2 3.96Å; P579-F622 HydrophobicContact CG-CD2 3.99Å
580	Y	98	Very high	96	Very high	32 Å²	32	41.9 Å²	41.9	13%	0.125	22%	0.22	C	C	.	.			trans	-67	111.4	167.8	171.6	-122.6	0	0	0	110.7	F477 L521 F563 G582 M583	F477-Y580 HydrophobicContact CD2-CE2 4.42Å; F477-Y580 HydrophobicContact CE2-CD2 4.02Å; F477-Y580 AromaticContact CE2-CE2 3.92Å; F477-Y580 HydrophobicContact CE2-CE2 3.92Å; F477-Y580 HydrophobicContact CZ-CE2 4.32Å; L521-Y580 HydrophobicContact CD2-CD1 3.56Å; L521-Y580 HydrophobicContact CD2-CD2 3.6Å; L521-Y580 HydrophobicContact CD2-CE1 3.72Å; L521-Y580 HydrophobicContact CD2-CE2 3.76Å; L521-Y580 HydrophobicContact CD2-CG 3.49Å; L521-Y580 VanDerWaalsContact CD2-CG 3.49Å; F563-Y580 HydrophobicContact CE1-CD1 4.1Å; F563-Y580 HydrophobicContact CE1-CE1 4.12Å; F563-Y580 HydrophobicContact CE2-CE1 4.2Å; F563-Y580 HydrophobicContact CZ-CD1 4.06Å; F563-Y580 AromaticContact CZ-CE1 3.67Å; F563-Y580 HydrophobicContact CZ-CE1 3.67Å; Y580-G582 PolarHBondContact O-N 3.11Å; Y580-M583 HydrophobicContact CD1-CB 4.08Å; Y580-M583 WeakPolarHBondContact O-CB 3.24Å; Y580-M583 PolarHBondContact O-N 2.73Å
581	L	97.9	Very high	96	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-38.2	-172.2	-174.2	65.6	0	0	0	113.2	F445 I448 F453 I470 T473 P579 M583 Y584 L585	F445-L581 HydrophobicContact CE2-CD1 4.33Å; I448-L581 HydrophobicContact CD1-CD1 4.27Å; I448-L581 HydrophobicContact CD1-CD2 3.62Å; F453-L581 HydrophobicContact CE1-CD1 4.04Å; F453-L581 HydrophobicContact CZ-CD1 4.27Å; I470-L581 HydrophobicContact CG1-CD2 4.34Å; I470-L581 HydrophobicContact CG2-CD2 4.35Å; T473-L581 HydrophobicContact CG2-CD2 4Å; P579-L581 PolarHBondContact O-N 2.91Å; P579-L581 VanDerWaalsContact O-N 3.11Å; L581-M583 PolarHBondContact O-N 3.23Å; L581-M583 VanDerWaalsContact O-N 3.1Å; L581-Y584 PolarHBondContact O-N 2.89Å; L581-L585 HydrophobicContact CD2-CD1 4.29Å; L581-L585 HydrophobicContact CG-CD1 4.11Å; L581-L585 HydrophobicContact CG-CG 4.13Å; L581-L585 PolarHBondContact O-N 2.79Å; L581-L585 VanDerWaalsContact O-N 3.14Å
582	G	96.8	Very high	96.1	Very high	15 Å²	15	34.8 Å²	34.8	16%	0.155	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-25.2	-176.6	0	0	0	0	0	114.2	Y580 T586	Y580-G582 PolarHBondContact O-N 3.11Å; G582-T586 WeakPolarHBondContact O-CB 3.33Å; G582-T586 PolarHBondContact O-N 3.26Å; G582-T586 PolarHBondContact O-OG1 3.25Å
583	M	96.9	Very high	96.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-48.3	171.5	-179.5	-171	69.9	0	0	111.7	F563 L566 R567 L570 Y580 L581 T586 D587	F563-M583 HydrophobicContact CB-CG 3.95Å; F563-M583 HydrophobicContact CB-SD 3.76Å; F563-M583 HydrophobicContact CD2-CB 4.04Å; F563-M583 HydrophobicContact CD2-CG 3.89Å; F563-M583 HydrophobicContact CE2-CB 4.49Å; F563-M583 HydrophobicContact CG-CB 4.37Å; F563-M583 HydrophobicContact CG-CG 4.12Å; F563-M583 HydrophobicContact CG-SD 4.44Å; L566-M583 HydrophobicContact CD2-SD 4.2Å; L566-M583 HydrophobicContact CG-SD 4.36Å; R567-M583 HydrophobicContact CG-CE 4.19Å; R567-M583 HydrophobicContact CG-SD 3.42Å; R567-M583 WeakPolarHBondContact CG-SD 3.32Å; L570-M583 HydrophobicContact CD1-CE 3.67Å; Y580-M583 HydrophobicContact CD1-CB 4.08Å; Y580-M583 WeakPolarHBondContact O-CB 3.24Å; Y580-M583 PolarHBondContact O-N 2.73Å; L581-M583 PolarHBondContact O-N 3.23Å; L581-M583 VanDerWaalsContact O-N 3.1Å; M583-T586 WeakPolarHBondContact O-CB 3.26Å; M583-T586 PolarHBondContact O-N 3.24Å; M583-D587 PolarHBondContact O-N 3.27Å
584	Y	97.9	Very high	96.2	Very high	6 Å²	6	37.2 Å²	37.2	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-72	-39	179.6	-66.4	-65	0	0	0	112	P579 L581 T586 D587 L588 I615 E618 I619	P579-Y584 HydrophobicContact CB-CE2 3.84Å; P579-Y584 HydrophobicContact CG-CE2 3.96Å; L581-Y584 PolarHBondContact O-N 2.89Å; Y584-T586 PolarHBondContact O-N 3.4Å; Y584-D587 PolarHBondContact O-N 2.96Å; Y584-D587 VanDerWaalsContact O-N 3.13Å; Y584-L588 WeakPolarHBondContact O-CG 3.37Å; Y584-L588 PolarHBondContact O-N 3.14Å; Y584-I615 HydrophobicContact CD1-CG2 3.77Å; Y584-I615 HydrophobicContact CG-CG2 4.19Å; Y584-E618 HydrophobicContact CE1-CB 4.17Å; Y584-I619 HydrophobicContact CD1-CG1 4.4Å; Y584-I619 HydrophobicContact CD2-CD1 4.29Å; Y584-I619 HydrophobicContact CD2-CG1 3.77Å; Y584-I619 HydrophobicContact CE2-CG1 4.08Å; Y584-I619 HydrophobicContact CG-CD1 4.14Å; Y584-I619 HydrophobicContact CG-CG1 3.94Å
585	L	97.9	Very high	96.4	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-34.3	175	-60.1	-179.6	0	0	0	112	F453 W458 I470 L581 L588 A589	F453-L585 HydrophobicContact CD1-CD2 3.88Å; F453-L585 HydrophobicContact CE1-CD2 4.01Å; W458-L585 HydrophobicContact CD2-CD2 4.07Å; W458-L585 HydrophobicContact CE3-CD2 4.23Å; W458-L585 HydrophobicContact CG-CD1 4.43Å; W458-L585 HydrophobicContact CH2-CD2 4.29Å; W458-L585 HydrophobicContact CZ2-CB 4.13Å; W458-L585 HydrophobicContact CZ2-CD2 4.11Å; W458-L585 HydrophobicContact CZ3-CD2 4.35Å; I470-L585 HydrophobicContact CD1-CD2 3.9Å; I470-L585 HydrophobicContact CG2-CD1 3.75Å; L581-L585 HydrophobicContact CD2-CD1 4.29Å; L581-L585 HydrophobicContact CG-CD1 4.11Å; L581-L585 HydrophobicContact CG-CG 4.13Å; L581-L585 PolarHBondContact O-N 2.79Å; L581-L585 VanDerWaalsContact O-N 3.14Å; L585-L588 HydrophobicContact CD2-CD1 4.3Å; L585-A589 WeakPolarHBondContact O-CB 3.44Å; L585-A589 PolarHBondContact O-N 2.95Å
586	T	96.3	Very high	96.4	Very high	81 Å²	81	34.9 Å²	34.9	50%	0.497	20%	0.202	S	C	.	.	H	α-helix	trans	-65.4	-42.2	174.6	-55.8	0	0	0	0	112	G582 M583 Y584 F590	G582-T586 WeakPolarHBondContact O-CB 3.33Å; G582-T586 PolarHBondContact O-N 3.26Å; G582-T586 PolarHBondContact O-OG1 3.25Å; M583-T586 WeakPolarHBondContact O-CB 3.26Å; M583-T586 PolarHBondContact O-N 3.24Å; Y584-T586 PolarHBondContact O-N 3.4Å; T586-F590 PolarHBondContact O-N 3.2Å; T586-F590 VanDerWaalsContact O-N 3.14Å
587	D	96.6	Very high	96.4	Very high	17 Å²	17	35 Å²	35	9%	0.091	20%	0.2	C	C	.	.	H	α-helix	trans	-69.9	-39.2	176.8	-65.6	-42.6	0	0	0	112	R562 R567 M583 Y584 F590 I591 I615	R562-D587 IonicContact NH1-OD1 3.67Å; R562-D587 PolarHBondContact NH1-OD1 3.43Å; R567-D587 IonicContact CZ-OD2 2.82Å; R567-D587 IonicContact NH1-OD2 3.19Å; R567-D587 PolarHBondContact NH1-OD2 2.97Å; R567-D587 VanDerWaalsContact NH2-CG 3.31Å; R567-D587 IonicContact NH2-OD1 2.74Å; R567-D587 PolarHBondContact NH2-OD1 3.04Å; R567-D587 VanDerWaalsContact NH2-OD1 3.17Å; R567-D587 IonicContact NH2-OD2 3.31Å; R567-D587 PolarHBondContact NH2-OD2 3.39Å; M583-D587 PolarHBondContact O-N 3.27Å; Y584-D587 PolarHBondContact O-N 2.96Å; Y584-D587 VanDerWaalsContact O-N 3.13Å; D587-F590 PolarHBondContact O-N 3.3Å; D587-I591 WeakPolarHBondContact O-CD1 3.29Å; D587-I591 VanDerWaalsContact O-CG1 3.27Å; D587-I591 WeakPolarHBondContact O-CG1 3.35Å; D587-I591 PolarHBondContact O-N 2.89Å; D587-I615 HydrophobicContact CB-CD1 3.78Å
588	L	97.6	Very high	96.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-44.9	175.5	-71	164.3	0	0	0	111.3	F453 W458 Y584 L585 F590 I591 E592 I612 I615	F453-L588 HydrophobicContact CB-CD1 3.79Å; F453-L588 HydrophobicContact CD1-CD1 3.84Å; F453-L588 HydrophobicContact CG-CD1 4.04Å; W458-L588 HydrophobicContact CH2-CB 3.86Å; W458-L588 HydrophobicContact CH2-CD1 4.36Å; W458-L588 HydrophobicContact CZ2-CB 4.18Å; Y584-L588 WeakPolarHBondContact O-CG 3.37Å; Y584-L588 PolarHBondContact O-N 3.14Å; L585-L588 HydrophobicContact CD2-CD1 4.3Å; L588-F590 PolarHBondContact O-N 3.14Å; L588-I591 PolarHBondContact O-N 3.39Å; L588-E592 WeakPolarHBondContact O-CB 3.36Å; L588-E592 WeakPolarHBondContact O-CG 3.34Å; L588-E592 PolarHBondContact O-N 2.82Å; L588-I612 HydrophobicContact CD2-CB 4.36Å; L588-I612 HydrophobicContact CD2-CG1 4.27Å; L588-I612 HydrophobicContact CD2-CG2 3.86Å; L588-I615 HydrophobicContact CD1-CG2 4.14Å; L588-I615 HydrophobicContact CD2-CB 4.2Å; L588-I615 HydrophobicContact CD2-CD1 3.96Å; L588-I615 HydrophobicContact CD2-CG2 4.08Å; L588-I615 HydrophobicContact CG-CD1 4.11Å; L588-I615 HydrophobicContact CG-CG2 4Å
589	A	96.5	Very high	96.3	Very high	10 Å²	10	40.2 Å²	40.2	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-45	174.6	0	0	0	0	0	112.1	W458 M459 L585 I591 E592 E593	W458-A589 HydrophobicContact CZ2-CB 4.49Å; M459-A589 HydrophobicContact SD-CB 3.84Å; L585-A589 WeakPolarHBondContact O-CB 3.44Å; L585-A589 PolarHBondContact O-N 2.95Å; A589-I591 VanDerWaalsContact C-N 3.32Å; A589-I591 PolarHBondContact O-N 3.4Å; A589-E592 PolarHBondContact O-N 3.2Å; A589-E593 PolarHBondContact O-N 3.19Å
590	F	96.4	Very high	96.1	Very high	146 Å²	146	49.9 Å²	49.9	64%	0.64	27%	0.269	S	S	*	.	H	α-helix	trans	-62.6	-35.5	176.6	-176.7	-95.9	0	0	0	113.1	T586 D587 L588 G594	T586-F590 PolarHBondContact O-N 3.2Å; T586-F590 VanDerWaalsContact O-N 3.14Å; D587-F590 PolarHBondContact O-N 3.3Å; L588-F590 PolarHBondContact O-N 3.14Å; F590-G594 WeakPolarHBondContact O-CA 3.27Å; F590-G594 PolarHBondContact O-N 2.95Å
591	I	96.4	Very high	95.9	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-72.5	-36.7	175	-67.1	161.5	0	0	0	111.5	D587 L588 A589 T595 K608 M611 I612 I615	D587-I591 WeakPolarHBondContact O-CD1 3.29Å; D587-I591 VanDerWaalsContact O-CG1 3.27Å; D587-I591 WeakPolarHBondContact O-CG1 3.35Å; D587-I591 PolarHBondContact O-N 2.89Å; L588-I591 PolarHBondContact O-N 3.39Å; A589-I591 VanDerWaalsContact C-N 3.32Å; A589-I591 PolarHBondContact O-N 3.4Å; I591-T595 PolarHBondContact O-N 3.17Å; I591-K608 HydrophobicContact CG2-CG 3.77Å; I591-K608 WeakPolarHBondContact O-CE 3.42Å; I591-M611 HydrophobicContact CD1-CB 4.01Å; I591-M611 HydrophobicContact CD1-CE 4.35Å; I591-M611 HydrophobicContact CG1-CE 4.02Å; I591-M611 HydrophobicContact CG2-CB 4.27Å; I591-I612 HydrophobicContact CG2-CD1 4.26Å; I591-I612 HydrophobicContact CG2-CG1 3.8Å; I591-I615 HydrophobicContact CD1-CD1 3.51Å
592	E	94.4	Very high	95.7	Very high	24 Å²	24	59 Å²	59	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-67.9	-47.2	178.5	-76	-73.4	-175.8	0	0	112.1	G455 Q456 L588 A589 K608	G455-E592 PolarHBondContact N-OE1 2.59Å; Q456-E592 HydrophobicContact CG-CB 3.55Å; Q456-E592 HydrophobicContact CG-CG 3.84Å; L588-E592 WeakPolarHBondContact O-CB 3.36Å; L588-E592 WeakPolarHBondContact O-CG 3.34Å; L588-E592 PolarHBondContact O-N 2.82Å; A589-E592 PolarHBondContact O-N 3.2Å; E592-K608 PolarHBondContact O-NZ 2.89Å; E592-K608 VanDerWaalsContact OE2-CE 3.31Å; E592-K608 WeakPolarHBondContact OE2-CE 3.15Å; E592-K608 IonicContact OE2-NZ 3.33Å; E592-K608 PolarHBondContact OE2-NZ 3.01Å
593	E	93.2	Very high	95.7	Very high	132 Å²	132	58.9 Å²	58.9	62%	0.617	32%	0.316	S	S	*	.	H	α-helix	trans	-73.5	-42.6	178.4	-71	167	-158.8	0	0	112.6	Q456 A589 T595	Q456-E593 PolarHBondContact NE2-OE1 2.79Å; A589-E593 PolarHBondContact O-N 3.19Å; E593-T595 VanDerWaalsContact C-N 3.29Å; E593-T595 PolarHBondContact O-N 2.85Å
594	G	94.1	Very high	95.8	Very high	55 Å²	55	58.9 Å²	58.9	57%	0.567	32%	0.316	S	S	*	.	S	Bend	trans	-78.6	-2.8	-174.2	0	0	0	0	0	115.1	F590	F590-G594 WeakPolarHBondContact O-CA 3.27Å; F590-G594 PolarHBondContact O-N 2.95Å
595	T	93.9	Very high	95.8	Very high	41 Å²	41	59 Å²	59	25%	0.252	32%	0.316	S	S	.	.	S	Bend	trans	-156.9	126.2	-175.8	-67.4	0	0	0	0	111.9	I591 E593 N605 K608	I591-T595 PolarHBondContact O-N 3.17Å; E593-T595 VanDerWaalsContact C-N 3.29Å; E593-T595 PolarHBondContact O-N 2.85Å; T595-N605 WeakPolarHBondContact CG2-ND2 3.49Å; T595-K608 HydrophobicContact CG2-CB 3.84Å; T595-K608 HydrophobicContact CG2-CD 4.07Å; T595-K608 HydrophobicContact CG2-CG 4.04Å; T595-K608 WeakPolarHBondContact O-CD 3.5Å; T595-K608 VanDerWaalsContact O-CE 3.24Å; T595-K608 WeakPolarHBondContact O-CE 3.48Å; T595-K608 PolarHBondContact O-NZ 2.92Å
596	P	95.2	Very high	95.7	Very high	90 Å²	90	58.5 Å²	58.5	58%	0.584	31%	0.314	S	S	*	.			trans	-74.9	154.7	179.6	31.2	-36.1	0	0	0	112.9	Y598 N605	P596-Y598 VanDerWaalsContact C-N 3.3Å; P596-Y598 PolarHBondContact O-N 2.75Å; P596-N605 VanDerWaalsContact O-CB 3.28Å; P596-N605 WeakPolarHBondContact O-CB 3.39Å; P596-N605 PolarHBondContact O-ND2 3.06Å
597	N	95.6	Very high	95.7	Very high	44 Å²	44	56 Å²	56	24%	0.235	30%	0.299	C	S	.	.	S	Bend	trans	-70.2	-25.5	176.8	-73.7	-11.1	0	0	0	113.4	V76 N605 K608 M609	V76-N597 HydrophobicContact CG1-CB 4.23Å; N597-N605 WeakPolarHBondContact O-CB 3.36Å; N597-N605 PolarHBondContact O-N 3.21Å; N597-K608 VanDerWaalsContact OD1-CD 3.26Å; N597-K608 WeakPolarHBondContact OD1-CD 3.28Å; N597-K608 VanDerWaalsContact OD1-CE 3.26Å; N597-K608 WeakPolarHBondContact OD1-CE 3.35Å; N597-K608 PolarHBondContact OD1-NZ 3.1Å; N597-M609 HydrophobicContact CB-CE 4.23Å
598	Y	97.2	Very high	95.7	Very high	82 Å²	82	55.3 Å²	55.3	32%	0.322	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-131.8	154.4	-176.5	-64.8	-91.2	0	0	0	110.6	V76 F77 P596 N602 L603 V604	V76-Y598 PolarHBondContact O-OH 2.95Å; F77-Y598 VanDerWaalsContact CA-OH 3.27Å; F77-Y598 WeakPolarHBondContact CA-OH 3.33Å; F77-Y598 WeakPolarHBondContact CB-OH 3.28Å; P596-Y598 VanDerWaalsContact C-N 3.3Å; P596-Y598 PolarHBondContact O-N 2.75Å; Y598-N602 WeakPolarHBondContact CD1-OD1 3.43Å; Y598-L603 CarbonylContact C-O 3.51Å; Y598-L603 VanDerWaalsContact CA-O 3.29Å; Y598-L603 WeakPolarHBondContact CA-O 3.35Å; Y598-V604 HydrophobicContact CD1-CG2 4.38Å; Y598-V604 HydrophobicContact CE1-CG2 3.83Å
599	T	95.6	Very high	95.7	Very high	31 Å²	31	55.3 Å²	55.3	19%	0.19	30%	0.296	C	S	.	.			trans	-83	171.1	164.8	64.8	0	0	0	0	111.3	Y46 D601 N602 L603	Y46-T599 HydrophobicContact CD1-CG2 3.49Å; Y46-T599 VanDerWaalsContact CD1-CG2 3.49Å; Y46-T599 HydrophobicContact CD2-CG2 3.92Å; Y46-T599 HydrophobicContact CE1-CG2 3.82Å; Y46-T599 HydrophobicContact CE2-CG2 4.17Å; Y46-T599 HydrophobicContact CG-CG2 3.58Å; T599-D601 PolarHBondContact O-N 3Å; T599-D601 PolarHBondContact OG1-N 3.16Å; T599-N602 WeakPolarHBondContact O-CA 3.27Å; T599-N602 PolarHBondContact O-N 2.78Å; T599-L603 HydrophobicContact CG2-CB 4.39Å; T599-L603 PolarHBondContact N-O 3.14Å; T599-L603 WeakPolarHBondContact OG1-CB 3.17Å; T599-L603 PolarHBondContact OG1-N 2.77Å; T599-L603 VanDerWaalsContact OG1-N 3.1Å
600	E	93.8	Very high	95.7	Very high	203 Å²	203	57.4 Å²	57.4	95%	0.949	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-37.6	169.8	-67	166.5	-153.5	0	0	111.5	N602	E600-N602 PolarHBondContact O-N 2.73Å
601	D	93.1	Very high	95.7	Very high	115 Å²	115	55 Å²	55	62%	0.615	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	11.6	171.6	-47.5	-66.9	0	0	0	114.6	T599 L603	T599-D601 PolarHBondContact O-N 3Å; T599-D601 PolarHBondContact OG1-N 3.16Å; D601-L603 HydrophobicContact CB-CD1 4.37Å; D601-L603 HydrophobicContact CB-CG 4.06Å; D601-L603 PolarHBondContact O-N 3.44Å
602	N	94.3	Very high	95.7	Very high	118 Å²	118	54.3 Å²	54.3	63%	0.631	29%	0.29	S	S	*	.			trans	56.9	28.1	-176	-162.7	32.1	0	0	0	115.1	Y598 T599 E600	Y598-N602 WeakPolarHBondContact CD1-OD1 3.43Å; T599-N602 WeakPolarHBondContact O-CA 3.27Å; T599-N602 PolarHBondContact O-N 2.78Å; E600-N602 PolarHBondContact O-N 2.73Å
603	L	97.4	Very high	95.8	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.063	29%	0.285	C	S	.	.			trans	-88.9	133.7	176.4	-53.9	179.5	0	0	0	110.9	D29 R31 Y598 T599 D601 N605	D29-L603 HydrophobicContact CB-CD2 4.34Å; R31-L603 HydrophobicContact CG-CD1 4.37Å; Y598-L603 CarbonylContact C-O 3.51Å; Y598-L603 VanDerWaalsContact CA-O 3.29Å; Y598-L603 WeakPolarHBondContact CA-O 3.35Å; T599-L603 HydrophobicContact CG2-CB 4.39Å; T599-L603 PolarHBondContact N-O 3.14Å; T599-L603 WeakPolarHBondContact OG1-CB 3.17Å; T599-L603 PolarHBondContact OG1-N 2.77Å; T599-L603 VanDerWaalsContact OG1-N 3.1Å; D601-L603 HydrophobicContact CB-CD1 4.37Å; D601-L603 HydrophobicContact CB-CG 4.06Å; D601-L603 PolarHBondContact O-N 3.44Å; L603-N605 PolarHBondContact O-N 3.32Å
604	V	98	Very high	95.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-62.1	128.7	178.4	-178.9	0	0	0	0	110.6	Y46 A47 V49 L52 F77 Y598 F606 M609	Y46-V604 VanDerWaalsContact CA-O 3.28Å; Y46-V604 WeakPolarHBondContact CA-O 3.48Å; A47-V604 PolarHBondContact N-O 3.08Å; A47-V604 VanDerWaalsContact N-O 3.09Å; A47-V604 WeakPolarHBondContact O-CB 3.4Å; A47-V604 PolarHBondContact O-N 3.42Å; V49-V604 HydrophobicContact CG2-CG2 3.93Å; L52-V604 HydrophobicContact CD1-CB 3.87Å; L52-V604 HydrophobicContact CD1-CG1 3.92Å; L52-V604 HydrophobicContact CD1-CG2 4.19Å; F77-V604 HydrophobicContact CB-CG1 4.15Å; F77-V604 HydrophobicContact CB-CG2 3.58Å; F77-V604 HydrophobicContact CD1-CG1 3.52Å; F77-V604 HydrophobicContact CD1-CG2 4.37Å; F77-V604 HydrophobicContact CD2-CG2 4.3Å; F77-V604 HydrophobicContact CE1-CG1 4.03Å; F77-V604 HydrophobicContact CG-CG1 3.88Å; F77-V604 HydrophobicContact CG-CG2 3.86Å; Y598-V604 HydrophobicContact CD1-CG2 4.38Å; Y598-V604 HydrophobicContact CE1-CG2 3.83Å; V604-F606 VanDerWaalsContact C-N 3.29Å; V604-F606 PolarHBondContact O-N 3.19Å; V604-M609 HydrophobicContact CG1-CE 4.48Å; V604-M609 HydrophobicContact CG1-CG 4.5Å
605	N	97.4	Very high	96	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.043	26%	0.257	C	S	.	.			trans	-77.3	75	177.5	-167.1	-18.9	0	0	0	112.5	Y46 T595 P596 N597 L603 S607 K608 M609	Y46-N605 HydrophobicContact CD1-CB 4.31Å; Y46-N605 HydrophobicContact CE1-CB 4.4Å; T595-N605 WeakPolarHBondContact CG2-ND2 3.49Å; P596-N605 VanDerWaalsContact O-CB 3.28Å; P596-N605 WeakPolarHBondContact O-CB 3.39Å; P596-N605 PolarHBondContact O-ND2 3.06Å; N597-N605 WeakPolarHBondContact O-CB 3.36Å; N597-N605 PolarHBondContact O-N 3.21Å; L603-N605 PolarHBondContact O-N 3.32Å; N605-S607 PolarHBondContact O-N 2.9Å; N605-S607 VanDerWaalsContact O-N 3.14Å; N605-S607 PolarHBondContact OD1-N 3.06Å; N605-K608 HydrophobicContact CB-CB 4.13Å; N605-K608 WeakPolarHBondContact O-CB 3.23Å; N605-K608 PolarHBondContact O-N 2.83Å; N605-K608 PolarHBondContact OD1-N 3.09Å; N605-M609 WeakPolarHBondContact O-CG 3.5Å; N605-M609 PolarHBondContact O-N 3.23Å; N605-M609 VanDerWaalsContact O-N 3.12Å
606	F	97.4	Very high	96.1	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-13.3	-179.4	-153.2	-103.2	0	0	0	113.9	I44 R45 L52 F66 T69 F70 V604 M609 R610	I44-F606 HydrophobicContact CB-CB 4.47Å; I44-F606 HydrophobicContact CB-CD1 4.13Å; I44-F606 HydrophobicContact CG2-CB 3.95Å; I44-F606 HydrophobicContact CG2-CD1 4.45Å; I44-F606 HydrophobicContact CG2-CG 4.45Å; R45-F606 PolarHBondContact O-N 3.2Å; L52-F606 HydrophobicContact CD1-CD2 3.82Å; L52-F606 HydrophobicContact CD1-CE2 4.37Å; L52-F606 HydrophobicContact CD2-CB 4.27Å; L52-F606 HydrophobicContact CD2-CD1 4.37Å; L52-F606 HydrophobicContact CD2-CD2 3.56Å; L52-F606 HydrophobicContact CD2-CE2 3.93Å; L52-F606 HydrophobicContact CD2-CG 3.8Å; L52-F606 HydrophobicContact CD2-CZ 4.49Å; L52-F606 HydrophobicContact CG-CD2 4.37Å; F66-F606 HydrophobicContact CD2-CD1 4.33Å; F66-F606 AromaticContact CD2-CE1 3.37Å; F66-F606 HydrophobicContact CD2-CE1 3.37Å; F66-F606 AromaticContact CD2-CZ 3.55Å; F66-F606 HydrophobicContact CD2-CZ 3.55Å; F66-F606 HydrophobicContact CE2-CD1 4.21Å; F66-F606 AromaticContact CE2-CE1 3.46Å; F66-F606 HydrophobicContact CE2-CE1 3.46Å; F66-F606 VanDerWaalsContact CE2-CE1 3.46Å; F66-F606 HydrophobicContact CE2-CE2 4.09Å; F66-F606 AromaticContact CE2-CZ 3.37Å; F66-F606 HydrophobicContact CE2-CZ 3.37Å; F66-F606 HydrophobicContact CG-CE1 4.41Å; F66-F606 HydrophobicContact CG-CZ 4.39Å; F66-F606 HydrophobicContact CZ-CZ 4.1Å; T69-F606 HydrophobicContact CG2-CD1 4.4Å; T69-F606 HydrophobicContact CG2-CE1 3.72Å; T69-F606 HydrophobicContact CG2-CE2 3.91Å; T69-F606 HydrophobicContact CG2-CZ 3.46Å; T69-F606 VanDerWaalsContact CG2-CZ 3.46Å; F70-F606 HydrophobicContact CB-CE2 4.41Å; F70-F606 HydrophobicContact CB-CZ 4.31Å; V604-F606 VanDerWaalsContact C-N 3.29Å; V604-F606 PolarHBondContact O-N 3.19Å; F606-M609 HydrophobicContact CD2-CB 4.31Å; F606-M609 HydrophobicContact CD2-CG 4.48Å; F606-R610 PolarHBondContact O-N 3.28Å; F606-R610 PolarHBondContact O-NH2 2.84Å
607	S	96.4	Very high	96	Very high	28 Å²	28	49 Å²	49	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-69.9	-47.1	164.3	-87.4	0	0	0	0	112.3	R45 N605 M609 R610 M611	R45-S607 WeakPolarHBondContact CG-OG 3.32Å; R45-S607 PolarHBondContact O-N 2.79Å; R45-S607 VanDerWaalsContact O-N 3.08Å; N605-S607 PolarHBondContact O-N 2.9Å; N605-S607 VanDerWaalsContact O-N 3.14Å; N605-S607 PolarHBondContact OD1-N 3.06Å; S607-M609 VanDerWaalsContact C-N 3.33Å; S607-M609 PolarHBondContact O-N 3.42Å; S607-R610 WeakPolarHBondContact O-CB 3.5Å; S607-R610 PolarHBondContact O-N 3.49Å; S607-M611 PolarHBondContact O-N 3.38Å
608	K	96.5	Very high	96	Very high	3 Å²	3	50 Å²	50	1%	0.013	24%	0.239	C	C	.	.	H	α-helix	trans	-57.7	-46.9	173.6	-172	-173.4	179.5	171	0	111.1	I591 E592 T595 N597 N605 R610 M611 I612	I591-K608 HydrophobicContact CG2-CG 3.77Å; I591-K608 WeakPolarHBondContact O-CE 3.42Å; E592-K608 PolarHBondContact O-NZ 2.89Å; E592-K608 VanDerWaalsContact OE2-CE 3.31Å; E592-K608 WeakPolarHBondContact OE2-CE 3.15Å; E592-K608 IonicContact OE2-NZ 3.33Å; E592-K608 PolarHBondContact OE2-NZ 3.01Å; T595-K608 HydrophobicContact CG2-CB 3.84Å; T595-K608 HydrophobicContact CG2-CD 4.07Å; T595-K608 HydrophobicContact CG2-CG 4.04Å; T595-K608 WeakPolarHBondContact O-CD 3.5Å; T595-K608 VanDerWaalsContact O-CE 3.24Å; T595-K608 WeakPolarHBondContact O-CE 3.48Å; T595-K608 PolarHBondContact O-NZ 2.92Å; N597-K608 VanDerWaalsContact OD1-CD 3.26Å; N597-K608 WeakPolarHBondContact OD1-CD 3.28Å; N597-K608 VanDerWaalsContact OD1-CE 3.26Å; N597-K608 WeakPolarHBondContact OD1-CE 3.35Å; N597-K608 PolarHBondContact OD1-NZ 3.1Å; N605-K608 HydrophobicContact CB-CB 4.13Å; N605-K608 WeakPolarHBondContact O-CB 3.23Å; N605-K608 PolarHBondContact O-N 2.83Å; N605-K608 PolarHBondContact OD1-N 3.09Å; K608-R610 PolarHBondContact O-N 3.08Å; K608-M611 WeakPolarHBondContact O-CB 3.16Å; K608-M611 PolarHBondContact O-N 3.14Å; K608-I612 HydrophobicContact CD-CD1 4.5Å; K608-I612 HydrophobicContact CG-CD1 4.15Å; K608-I612 PolarHBondContact O-N 2.82Å
609	M	97.1	Very high	95.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-57.9	-35.1	178.5	-56.9	-43.7	147.5	0	0	112.6	T69 S73 V76 N597 V604 N605 F606 S607 S613	T69-M609 HydrophobicContact CG2-CB 3.93Å; S73-M609 WeakPolarHBondContact OG-CB 3.41Å; V76-M609 HydrophobicContact CB-CE 4.34Å; V76-M609 HydrophobicContact CB-SD 4.34Å; V76-M609 HydrophobicContact CG1-CE 3.71Å; V76-M609 HydrophobicContact CG1-SD 4.29Å; V76-M609 HydrophobicContact CG2-SD 4.29Å; N597-M609 HydrophobicContact CB-CE 4.23Å; V604-M609 HydrophobicContact CG1-CE 4.48Å; V604-M609 HydrophobicContact CG1-CG 4.5Å; N605-M609 WeakPolarHBondContact O-CG 3.5Å; N605-M609 PolarHBondContact O-N 3.23Å; N605-M609 VanDerWaalsContact O-N 3.12Å; F606-M609 HydrophobicContact CD2-CB 4.31Å; F606-M609 HydrophobicContact CD2-CG 4.48Å; S607-M609 VanDerWaalsContact C-N 3.33Å; S607-M609 PolarHBondContact O-N 3.42Å; M609-S613 WeakPolarHBondContact O-CB 3.49Å; M609-S613 PolarHBondContact O-N 3.36Å
610	R	96.2	Very high	95.7	Very high	54 Å²	54	46.4 Å²	46.4	20%	0.204	22%	0.221	C	C	.	.	H	α-helix	trans	-69.1	-34.6	175.3	-170.2	179.8	-50.7	109.5	39.3	113	I44 T69 F606 S607 K608 H614	I44-R610 PolarHBondContact O-NH2 3.45Å; T69-R610 HydrophobicContact CG2-CB 4.1Å; F606-R610 PolarHBondContact O-N 3.28Å; F606-R610 PolarHBondContact O-NH2 2.84Å; S607-R610 WeakPolarHBondContact O-CB 3.5Å; S607-R610 PolarHBondContact O-N 3.49Å; K608-R610 PolarHBondContact O-N 3.08Å; R610-H614 WeakPolarHBondContact O-CB 3.35Å; R610-H614 PolarHBondContact O-N 3.31Å
611	M	96.4	Very high	95.6	Very high	96 Å²	96	40.5 Å²	40.5	47%	0.473	19%	0.194	S	C	.	.	H	α-helix	trans	-69.5	-47	176.5	-63.4	172.6	70	0	0	110.6	I591 S607 K608 H614 I615	I591-M611 HydrophobicContact CD1-CB 4.01Å; I591-M611 HydrophobicContact CD1-CE 4.35Å; I591-M611 HydrophobicContact CG1-CE 4.02Å; I591-M611 HydrophobicContact CG2-CB 4.27Å; S607-M611 PolarHBondContact O-N 3.38Å; K608-M611 WeakPolarHBondContact O-CB 3.16Å; K608-M611 PolarHBondContact O-N 3.14Å; M611-H614 WeakPolarHBondContact O-CB 3.5Å; M611-H614 PolarHBondContact O-N 3.47Å; M611-H614 VanDerWaalsContact O-N 3.15Å; M611-I615 PolarHBondContact O-N 3.3Å
612	I	96.9	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.4	-47.4	175.2	-62.6	173.9	0	0	0	110.5	F454 L588 I591 K608 H614 I615 I616	F454-I612 HydrophobicContact CD1-CD1 4.16Å; F454-I612 HydrophobicContact CD1-CG2 4.03Å; F454-I612 HydrophobicContact CE1-CB 4.25Å; F454-I612 HydrophobicContact CE1-CD1 4.19Å; F454-I612 HydrophobicContact CE1-CG2 3.51Å; F454-I612 HydrophobicContact CE2-CG2 4.36Å; F454-I612 HydrophobicContact CZ-CG2 3.7Å; L588-I612 HydrophobicContact CD2-CB 4.36Å; L588-I612 HydrophobicContact CD2-CG1 4.27Å; L588-I612 HydrophobicContact CD2-CG2 3.86Å; I591-I612 HydrophobicContact CG2-CD1 4.26Å; I591-I612 HydrophobicContact CG2-CG1 3.8Å; K608-I612 HydrophobicContact CD-CD1 4.5Å; K608-I612 HydrophobicContact CG-CD1 4.15Å; K608-I612 PolarHBondContact O-N 2.82Å; I612-H614 PolarHBondContact O-N 3.29Å; I612-H614 VanDerWaalsContact O-N 3.15Å; I612-I615 PolarHBondContact O-N 3.04Å; I612-I615 VanDerWaalsContact O-N 3.17Å; I612-I616 HydrophobicContact CG2-CD1 3.7Å; I612-I616 HydrophobicContact CG2-CG1 4.28Å; I612-I616 WeakPolarHBondContact O-CG1 3.27Å; I612-I616 PolarHBondContact O-N 2.91Å
613	S	95.8	Very high	95.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-18.5	176.1	179.9	0	0	0	0	113.9	H72 M609 R617	H72-S613 PolarHBondContact ND1-OG 3.19Å; M609-S613 WeakPolarHBondContact O-CB 3.49Å; M609-S613 PolarHBondContact O-N 3.36Å; S613-R617 WeakPolarHBondContact O-CD 3.28Å; S613-R617 WeakPolarHBondContact O-CG 3.04Å; S613-R617 PolarHBondContact O-N 3.26Å
614	H	95.3	Very high	95.2	Very high	115 Å²	115	35.7 Å²	35.7	53%	0.532	16%	0.163	S	C	.	.	H	α-helix	trans	-73.8	-49.1	172.7	-173.5	-0.5	0	0	0	110.5	R610 M611 I612 R617 E618	R610-H614 WeakPolarHBondContact O-CB 3.35Å; R610-H614 PolarHBondContact O-N 3.31Å; M611-H614 WeakPolarHBondContact O-CB 3.5Å; M611-H614 PolarHBondContact O-N 3.47Å; M611-H614 VanDerWaalsContact O-N 3.15Å; I612-H614 PolarHBondContact O-N 3.29Å; I612-H614 VanDerWaalsContact O-N 3.15Å; H614-R617 WeakPolarHBondContact O-CB 3.28Å; H614-R617 PolarHBondContact O-N 3.38Å; H614-R617 VanDerWaalsContact O-N 3.15Å; H614-E618 IonicContact CE1-OE2 3.74Å; H614-E618 IonicContact ND1-OE2 3.37Å; H614-E618 PolarHBondContact O-N 3.14Å; H614-E618 VanDerWaalsContact O-N 3.11Å
615	I	96.7	Very high	94.8	Very high	13 Å²	13	38.4 Å²	38.4	7%	0.067	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-44.7	177.3	-66.8	167.1	0	0	0	110.5	Y584 D587 L588 I591 M611 I612 R617 E618 I619	Y584-I615 HydrophobicContact CD1-CG2 3.77Å; Y584-I615 HydrophobicContact CG-CG2 4.19Å; D587-I615 HydrophobicContact CB-CD1 3.78Å; L588-I615 HydrophobicContact CD1-CG2 4.14Å; L588-I615 HydrophobicContact CD2-CB 4.2Å; L588-I615 HydrophobicContact CD2-CD1 3.96Å; L588-I615 HydrophobicContact CD2-CG2 4.08Å; L588-I615 HydrophobicContact CG-CD1 4.11Å; L588-I615 HydrophobicContact CG-CG2 4Å; I591-I615 HydrophobicContact CD1-CD1 3.51Å; M611-I615 PolarHBondContact O-N 3.3Å; I612-I615 PolarHBondContact O-N 3.04Å; I612-I615 VanDerWaalsContact O-N 3.17Å; I615-R617 VanDerWaalsContact C-N 3.25Å; I615-R617 PolarHBondContact O-N 3.22Å; I615-E618 WeakPolarHBondContact O-CB 3.36Å; I615-E618 PolarHBondContact O-N 3.1Å; I615-I619 HydrophobicContact CG2-CD1 3.93Å; I615-I619 HydrophobicContact CG2-CG1 4.39Å; I615-I619 WeakPolarHBondContact O-CG1 3.35Å; I615-I619 PolarHBondContact O-N 3.5Å
616	I	95.6	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-39.2	175.6	-68.3	173.5	0	0	0	111.1	H72 Y450 F453 F454 I612 I619 R620	H72-I616 HydrophobicContact CB-CD1 4.42Å; H72-I616 VanDerWaalsContact CD2-CG2 3.45Å; H72-I616 WeakPolarHBondContact CD2-CG2 3.14Å; Y450-I616 HydrophobicContact CG-CG2 4.24Å; F453-I616 HydrophobicContact CB-CD1 4.35Å; F453-I616 HydrophobicContact CB-CG1 4.26Å; F453-I616 HydrophobicContact CD2-CG1 4.06Å; F454-I616 HydrophobicContact CD2-CD1 4.45Å; F454-I616 HydrophobicContact CE2-CD1 3.53Å; F454-I616 HydrophobicContact CZ-CD1 3.71Å; I612-I616 HydrophobicContact CG2-CD1 3.7Å; I612-I616 HydrophobicContact CG2-CG1 4.28Å; I612-I616 WeakPolarHBondContact O-CG1 3.27Å; I612-I616 PolarHBondContact O-N 2.91Å; I616-I619 PolarHBondContact O-N 3.24Å; I616-R620 HydrophobicContact CG2-CG 4.07Å; I616-R620 VanDerWaalsContact O-CB 3.27Å; I616-R620 WeakPolarHBondContact O-CB 3.29Å; I616-R620 WeakPolarHBondContact O-CG 3.5Å; I616-R620 PolarHBondContact O-N 2.96Å
617	R	93.6	Very high	94.1	Very high	102 Å²	102	40.6 Å²	40.6	39%	0.385	20%	0.196	S	C	.	.	H	α-helix	trans	-66	-36.6	175.4	-76.8	167.5	62.3	171	1	112.6	D65 S613 H614 I615 Q621	D65-R617 IonicContact OD1-CZ 3.19Å; D65-R617 IonicContact OD1-NH1 3.71Å; D65-R617 PolarHBondContact OD1-NH1 2.93Å; D65-R617 IonicContact OD1-NH2 2.7Å; S613-R617 WeakPolarHBondContact O-CD 3.28Å; S613-R617 WeakPolarHBondContact O-CG 3.04Å; S613-R617 PolarHBondContact O-N 3.26Å; H614-R617 WeakPolarHBondContact O-CB 3.28Å; H614-R617 PolarHBondContact O-N 3.38Å; H614-R617 VanDerWaalsContact O-N 3.15Å; I615-R617 VanDerWaalsContact C-N 3.25Å; I615-R617 PolarHBondContact O-N 3.22Å; R617-Q621 PolarHBondContact O-N 3.08Å; R617-Q621 VanDerWaalsContact O-N 3.16Å
618	E	94.3	Very high	93.9	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.304	23%	0.23	S	C	.	.	H	α-helix	trans	-69.2	-39.5	175.6	-68	179.4	99.6	0	0	112.2	Y584 H614 I615 Q621 F622	Y584-E618 HydrophobicContact CE1-CB 4.17Å; H614-E618 IonicContact CE1-OE2 3.74Å; H614-E618 IonicContact ND1-OE2 3.37Å; H614-E618 PolarHBondContact O-N 3.14Å; H614-E618 VanDerWaalsContact O-N 3.11Å; I615-E618 WeakPolarHBondContact O-CB 3.36Å; I615-E618 PolarHBondContact O-N 3.1Å; E618-Q621 VanDerWaalsContact O-CG 3.28Å; E618-Q621 WeakPolarHBondContact O-CG 3.42Å; E618-Q621 PolarHBondContact O-NE2 3.02Å; E618-F622 VanDerWaalsContact O-CD2 3.23Å; E618-F622 WeakPolarHBondContact O-CD2 3.23Å
619	I	95.6	Very high	93.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-52.7	173.4	-65	170.7	0	0	0	109.9	F445 F453 Y584 I615 I616 Q621 F622 Q623	F445-I619 HydrophobicContact CE2-CG2 3.92Å; F445-I619 HydrophobicContact CZ-CG2 3.88Å; F453-I619 HydrophobicContact CD1-CD1 4.3Å; F453-I619 HydrophobicContact CD2-CD1 4.21Å; F453-I619 HydrophobicContact CE1-CD1 3.97Å; F453-I619 HydrophobicContact CE2-CD1 3.85Å; F453-I619 HydrophobicContact CE2-CG2 4.07Å; F453-I619 HydrophobicContact CG-CD1 4.44Å; F453-I619 HydrophobicContact CZ-CD1 3.73Å; F453-I619 HydrophobicContact CZ-CG2 4.04Å; Y584-I619 HydrophobicContact CD1-CG1 4.4Å; Y584-I619 HydrophobicContact CD2-CD1 4.29Å; Y584-I619 HydrophobicContact CD2-CG1 3.77Å; Y584-I619 HydrophobicContact CE2-CG1 4.08Å; Y584-I619 HydrophobicContact CG-CD1 4.14Å; Y584-I619 HydrophobicContact CG-CG1 3.94Å; I615-I619 HydrophobicContact CG2-CD1 3.93Å; I615-I619 HydrophobicContact CG2-CG1 4.39Å; I615-I619 WeakPolarHBondContact O-CG1 3.35Å; I615-I619 PolarHBondContact O-N 3.5Å; I616-I619 PolarHBondContact O-N 3.24Å; I619-Q621 PolarHBondContact O-N 3.39Å; I619-F622 PolarHBondContact O-N 2.88Å; I619-F622 VanDerWaalsContact O-N 3.09Å; I619-Q623 HydrophobicContact CG2-CG 4.35Å; I619-Q623 PolarHBondContact O-N 3.45Å
620	R	92.1	Very high	93.5	Very high	36 Å²	36	57.2 Å²	57.2	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-20.2	-174.3	-68.9	-175.1	77.4	-148.3	-3.9	114	H72 K354 I616 F622 Q623 Q624	H72-R620 PolarHBondContact NE2-NH1 3.07Å; K354-R620 VanDerWaalsContact O-CZ 3.24Å; K354-R620 PolarHBondContact O-NH1 3.43Å; K354-R620 PolarHBondContact O-NH2 3.39Å; I616-R620 HydrophobicContact CG2-CG 4.07Å; I616-R620 VanDerWaalsContact O-CB 3.27Å; I616-R620 WeakPolarHBondContact O-CB 3.29Å; I616-R620 WeakPolarHBondContact O-CG 3.5Å; I616-R620 PolarHBondContact O-N 2.96Å; R620-F622 VanDerWaalsContact C-N 3.27Å; R620-F622 PolarHBondContact O-N 3.42Å; R620-Q623 VanDerWaalsContact CG-OE1 3.31Å; R620-Q624 WeakPolarHBondContact O-CG 3.45Å; R620-Q624 PolarHBondContact O-N 3.43Å; R620-Q624 PolarHBondContact O-NE2 3.16Å
621	Q	92.4	Very high	93.2	Very high	80 Å²	80	57.3 Å²	57.3	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-31	174.9	87.3	-157.6	-18.1	0	0	111.9	R617 E618 I619	R617-Q621 PolarHBondContact O-N 3.08Å; R617-Q621 VanDerWaalsContact O-N 3.16Å; E618-Q621 VanDerWaalsContact O-CG 3.28Å; E618-Q621 WeakPolarHBondContact O-CG 3.42Å; E618-Q621 PolarHBondContact O-NE2 3.02Å; I619-Q621 PolarHBondContact O-N 3.39Å
622	F	95	Very high	93	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-86.2	-31.5	179.1	-59.6	-53.4	0	0	0	112.1	F445 L570 P575 C577 P579 E618 I619 R620 Q624	F445-F622 HydrophobicContact CE1-CB 3.76Å; F445-F622 HydrophobicContact CZ-CB 4.11Å; L570-F622 HydrophobicContact CB-CZ 4.42Å; L570-F622 HydrophobicContact CD2-CE2 4.15Å; L570-F622 HydrophobicContact CD2-CZ 4.1Å; P575-F622 HydrophobicContact CB-CD1 4.46Å; P575-F622 HydrophobicContact CG-CD1 3.98Å; P575-F622 HydrophobicContact CG-CE1 4.35Å; C577-F622 HydrophobicContact CB-CD1 3.51Å; C577-F622 HydrophobicContact CB-CE1 3.85Å; C577-F622 HydrophobicContact CB-CG 4.16Å; P579-F622 HydrophobicContact CG-CD2 3.99Å; E618-F622 VanDerWaalsContact O-CD2 3.23Å; E618-F622 WeakPolarHBondContact O-CD2 3.23Å; I619-F622 PolarHBondContact O-N 2.88Å; I619-F622 VanDerWaalsContact O-N 3.09Å; R620-F622 VanDerWaalsContact C-N 3.27Å; R620-F622 PolarHBondContact O-N 3.42Å; F622-Q624 VanDerWaalsContact C-N 3.26Å; F622-Q624 PolarHBondContact O-N 2.85Å
623	Q	92.9	Very high	92.6	Very high	24 Å²	24	56.9 Å²	56.9	11%	0.112	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-24.8	172.7	-60.8	179.1	-56.2	0	0	113.2	F445 K446 I448 I619 R620 T625	F445-Q623 HydrophobicContact CD1-CG 4Å; F445-Q623 HydrophobicContact CE1-CB 4.43Å; F445-Q623 HydrophobicContact CE1-CG 3.54Å; F445-Q623 HydrophobicContact CZ-CG 3.84Å; F445-Q623 PolarHBondContact O-NE2 2.69Å; K446-Q623 PolarHBondContact O-NE2 3.19Å; I448-Q623 PolarHBondContact O-NE2 2.96Å; I619-Q623 HydrophobicContact CG2-CG 4.35Å; I619-Q623 PolarHBondContact O-N 3.45Å; R620-Q623 VanDerWaalsContact CG-OE1 3.31Å; Q623-T625 PolarHBondContact O-N 3.26Å
624	Q	86.8	Confident	92.4	Very high	119 Å²	119	61.4 Å²	61.4	56%	0.556	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.4	-174.6	-91.1	169.2	93.2	0	0	115.5	R620 F622	R620-Q624 WeakPolarHBondContact O-CG 3.45Å; R620-Q624 PolarHBondContact O-N 3.43Å; R620-Q624 PolarHBondContact O-NE2 3.16Å; F622-Q624 VanDerWaalsContact C-N 3.26Å; F622-Q624 PolarHBondContact O-N 2.85Å
625	T	89.7	Confident	92.3	Very high	58 Å²	58	56.1 Å²	56.1	36%	0.356	27%	0.269	S	S	.	.	S	Bend	trans	-128.2	104.3	-177.3	-58.2	0	0	0	0	109.7	H442 P575 P576 Q623	H442-T625 PolarHBondContact CE1-O 3.42Å; P575-T625 HydrophobicContact CB-CG2 4.01Å; P576-T625 HydrophobicContact CB-CG2 4.23Å; P576-T625 WeakPolarHBondContact CB-O 3.42Å; Q623-T625 PolarHBondContact O-N 3.26Å
626	A	88.8	Confident	92.1	Very high	39 Å²	39	55.5 Å²	55.5	32%	0.322	27%	0.266	S	S	.	.			trans	-69.8	150.3	178.8	0	0	0	0	0	112.7
627	Y	92.6	Very high	91.9	Very high	19 Å²	19	56.8 Å²	56.8	8%	0.075	27%	0.272	C	S	.	.			trans	-68.6	149.5	168.7	-77.1	-89.8	0	0	0	111.6	T438 H442 L514 P576 C577 V578 I629	T438-Y627 HydrophobicContact CG2-CD1 3.82Å; T438-Y627 HydrophobicContact CG2-CD2 4.12Å; T438-Y627 HydrophobicContact CG2-CE1 3.41Å; T438-Y627 VanDerWaalsContact CG2-CE1 3.41Å; T438-Y627 HydrophobicContact CG2-CE2 3.74Å; T438-Y627 HydrophobicContact CG2-CG 4.15Å; H442-Y627 HydrophobicContact CB-CD2 3.65Å; H442-Y627 HydrophobicContact CB-CE2 3.86Å; H442-Y627 AromaticContact CG-CD2 3.56Å; H442-Y627 AromaticContact CG-CE2 3.89Å; H442-Y627 AromaticContact ND1-CD2 3.71Å; H442-Y627 AromaticContact ND1-CE2 3.7Å; L514-Y627 HydrophobicContact CB-CE1 4.47Å; L514-Y627 WeakPolarHBondContact O-CE1 3.4Å; L514-Y627 PolarHBondContact O-OH 2.89Å; P576-Y627 HydrophobicContact CB-CD1 3.96Å; P576-Y627 HydrophobicContact CB-CD2 3.95Å; P576-Y627 HydrophobicContact CB-CE1 3.87Å; P576-Y627 HydrophobicContact CB-CE2 3.86Å; P576-Y627 HydrophobicContact CB-CG 4.01Å; P576-Y627 HydrophobicContact CG-CD1 3.87Å; P576-Y627 HydrophobicContact CG-CE1 3.87Å; P576-Y627 HydrophobicContact CG-CG 4.31Å; C577-Y627 WeakPolarHBondContact CA-OH 3.37Å; C577-Y627 PolarHBondContact N-OH 3.5Å; V578-Y627 HydrophobicContact CG2-CE2 3.79Å; V578-Y627 PolarHBondContact N-OH 3.09Å; Y627-I629 HydrophobicContact CD1-CD1 3.83Å; Y627-I629 HydrophobicContact CG-CD1 4.07Å
628	K	92.2	Very high	91.9	Very high	211 Å²	211	52.1 Å²	52.1	92%	0.917	25%	0.254	S	S	*	.			trans	-104.5	68.9	171.1	-64.1	-177.7	-178.8	-179.6	0	108.8
629	I	93.1	Very high	91.9	Very high	29 Å²	29	49.2 Å²	49.2	15%	0.149	24%	0.241	C	C	.	.			trans	-118	127	179.6	-69.3	169.4	0	0	0	106.3	E435 T438 M439 Y627	E435-I629 HydrophobicContact CB-CD1 4.38Å; E435-I629 HydrophobicContact CB-CG2 3.86Å; E435-I629 WeakPolarHBondContact O-CD1 3.29Å; T438-I629 HydrophobicContact CG2-CD1 4.09Å; M439-I629 HydrophobicContact CB-CG2 4.23Å; Y627-I629 HydrophobicContact CD1-CD1 3.83Å; Y627-I629 HydrophobicContact CG-CD1 4.07Å
630	D	91.3	Very high	91.7	Very high	141 Å²	141	50.6 Å²	50.6	75%	0.754	25%	0.248	S	C	*	.			trans	-75.8	140.3	176.8	-65.5	-46.1	0	0	0	110.1	Q436	Q436-D630 PolarHBondContact NE2-O 3.28Å
631	F	90.1	Very high	91.5	Very high	55 Å²	55	50.3 Å²	50.3	24%	0.241	25%	0.249	C	C	.	.			trans	-70.9	131	-179	179.9	-123.3	0	0	0	111.6	L412 M415 A416 M439 P633 A636	L412-F631 HydrophobicContact CB-CE2 3.89Å; L412-F631 HydrophobicContact CB-CZ 3.97Å; L412-F631 HydrophobicContact CD1-CD2 4.02Å; L412-F631 HydrophobicContact CD1-CE2 4.06Å; L412-F631 HydrophobicContact CD2-CD1 3.84Å; L412-F631 HydrophobicContact CD2-CD2 3.8Å; L412-F631 HydrophobicContact CD2-CE1 3.83Å; L412-F631 HydrophobicContact CD2-CE2 3.79Å; L412-F631 HydrophobicContact CD2-CG 3.82Å; L412-F631 HydrophobicContact CD2-CZ 3.8Å; L412-F631 HydrophobicContact CG-CD2 4.36Å; L412-F631 HydrophobicContact CG-CE2 4.12Å; L412-F631 HydrophobicContact CG-CZ 4.38Å; M415-F631 HydrophobicContact CB-CE1 4.16Å; M415-F631 HydrophobicContact CE-CD1 4.41Å; M415-F631 HydrophobicContact CE-CE1 4.25Å; A416-F631 HydrophobicContact CB-CZ 4.47Å; M439-F631 HydrophobicContact CE-CD2 3.77Å; M439-F631 HydrophobicContact CE-CE2 4.13Å; M439-F631 HydrophobicContact SD-CD2 3.97Å; F631-P633 HydrophobicContact CD1-CG 3.94Å; F631-P633 HydrophobicContact CE1-CB 4.04Å; F631-P633 HydrophobicContact CE1-CG 3.64Å; F631-P633 HydrophobicContact CZ-CB 4.37Å; F631-P633 HydrophobicContact CZ-CG 4.4Å; F631-A636 HydrophobicContact CD2-CB 4.39Å; F631-A636 HydrophobicContact CE2-CB 3.46Å; F631-A636 VanDerWaalsContact CE2-CB 3.46Å; F631-A636 HydrophobicContact CZ-CB 4.02Å
632	Q	91.5	Very high	91.2	Very high	53 Å²	53	50.5 Å²	50.5	25%	0.248	25%	0.253	C	S	.	.			trans	-119.9	96.8	175.9	-61.5	-173.3	14.6	0	0	110.2	Q436 K634 V635 A636	Q436-Q632 HydrophobicContact CG-CB 3.96Å; Q632-K634 VanDerWaalsContact C-N 3.32Å; Q632-K634 PolarHBondContact O-N 3.31Å; Q632-V635 HydrophobicContact CB-CB 4.35Å; Q632-V635 HydrophobicContact CB-CG2 4.35Å; Q632-V635 PolarHBondContact O-N 3Å; Q632-V635 VanDerWaalsContact O-N 3.15Å; Q632-A636 PolarHBondContact O-N 3.34Å
633	P	89.8	Confident	90.8	Very high	35 Å²	35	55.2 Å²	55.2	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-51.9	-45	-172.1	-27.3	31.5	0	0	0	114	E419 F631 V635 A636 K637	E419-P633 HydrophobicContact CG-CB 4.27Å; F631-P633 HydrophobicContact CD1-CG 3.94Å; F631-P633 HydrophobicContact CE1-CB 4.04Å; F631-P633 HydrophobicContact CE1-CG 3.64Å; F631-P633 HydrophobicContact CZ-CB 4.37Å; F631-P633 HydrophobicContact CZ-CG 4.4Å; P633-V635 PolarHBondContact O-N 2.75Å; P633-A636 PolarHBondContact O-N 2.83Å; P633-K637 VanDerWaalsContact O-CB 3.3Å; P633-K637 WeakPolarHBondContact O-CB 3.12Å; P633-K637 PolarHBondContact O-N 3.3Å
634	K	91.4	Very high	90.5	Very high	96 Å²	96	57.5 Å²	57.5	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-58	-46.4	179.7	-63.5	-177.9	168.7	-159.4	0	113.9	E419 E423 Q632 K637 Y638	E419-K634 WeakPolarHBondContact OE2-CG 3.4Å; E423-K634 WeakPolarHBondContact OE1-CE 3.48Å; E423-K634 IonicContact OE1-NZ 2.68Å; E423-K634 PolarHBondContact OE1-NZ 3.29Å; E423-K634 IonicContact OE2-NZ 3.84Å; Q632-K634 VanDerWaalsContact C-N 3.32Å; Q632-K634 PolarHBondContact O-N 3.31Å; K634-K637 WeakPolarHBondContact O-CB 3.33Å; K634-K637 PolarHBondContact O-N 3.2Å; K634-Y638 PolarHBondContact O-N 3.26Å
635	V	93.8	Very high	90.8	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-77.8	-37.2	-175.1	-177.4	0	0	0	0	110	H428 E432 I433 Q436 Q632 P633 K637 Y638 L639	H428-V635 HydrophobicContact CB-CG2 4.19Å; E432-V635 HydrophobicContact CB-CG1 4.5Å; E432-V635 HydrophobicContact CB-CG2 4.17Å; I433-V635 HydrophobicContact CG1-CG1 4.13Å; Q436-V635 HydrophobicContact CB-CB 4.46Å; Q436-V635 HydrophobicContact CB-CG1 4.01Å; Q436-V635 HydrophobicContact CG-CB 3.82Å; Q436-V635 HydrophobicContact CG-CG1 3.8Å; Q632-V635 HydrophobicContact CB-CB 4.35Å; Q632-V635 HydrophobicContact CB-CG2 4.35Å; Q632-V635 PolarHBondContact O-N 3Å; Q632-V635 VanDerWaalsContact O-N 3.15Å; P633-V635 PolarHBondContact O-N 2.75Å; V635-K637 VanDerWaalsContact C-N 3.33Å; V635-Y638 PolarHBondContact O-N 2.77Å; V635-L639 WeakPolarHBondContact O-CG 3.5Å; V635-L639 PolarHBondContact O-N 3.41Å
636	A	91.9	Very high	91	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-41	168.3	0	0	0	0	0	111.6	A416 F631 Q632 P633 L639 L640	A416-A636 HydrophobicContact CB-CB 4.43Å; F631-A636 HydrophobicContact CD2-CB 4.39Å; F631-A636 HydrophobicContact CE2-CB 3.46Å; F631-A636 VanDerWaalsContact CE2-CB 3.46Å; F631-A636 HydrophobicContact CZ-CB 4.02Å; Q632-A636 PolarHBondContact O-N 3.34Å; P633-A636 PolarHBondContact O-N 2.83Å; A636-L639 PolarHBondContact O-N 3.05Å; A636-L640 WeakPolarHBondContact O-CB 3.3Å; A636-L640 VanDerWaalsContact O-CG 3.25Å; A636-L640 WeakPolarHBondContact O-CG 3.49Å; A636-L640 PolarHBondContact O-N 3.17Å
637	K	91.1	Very high	91.2	Very high	27 Å²	27	56 Å²	56	12%	0.117	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-49.3	173.1	-164.7	-169.7	-165.6	101.2	0	110.9	A416 M417 E419 S420 T422 P633 K634 V635 L639 L640 D641	A416-K637 HydrophobicContact CB-CB 4.04Å; A416-K637 VanDerWaalsContact O-CD 3.31Å; A416-K637 WeakPolarHBondContact O-CD 3.42Å; A416-K637 VanDerWaalsContact O-CG 3.31Å; A416-K637 WeakPolarHBondContact O-CG 3.39Å; A416-K637 PolarHBondContact O-NZ 2.81Å; M417-K637 PolarHBondContact O-NZ 2.96Å; M417-K637 VanDerWaalsContact O-NZ 3.09Å; E419-K637 PolarHBondContact O-NZ 3.35Å; S420-K637 WeakPolarHBondContact O-CE 3.37Å; S420-K637 PolarHBondContact O-NZ 3.25Å; T422-K637 HydrophobicContact CG2-CD 4.46Å; T422-K637 HydrophobicContact CG2-CG 4.4Å; P633-K637 VanDerWaalsContact O-CB 3.3Å; P633-K637 WeakPolarHBondContact O-CB 3.12Å; P633-K637 PolarHBondContact O-N 3.3Å; K634-K637 WeakPolarHBondContact O-CB 3.33Å; K634-K637 PolarHBondContact O-N 3.2Å; V635-K637 VanDerWaalsContact C-N 3.33Å; K637-L639 VanDerWaalsContact C-N 3.28Å; K637-L639 PolarHBondContact O-N 2.94Å; K637-L640 PolarHBondContact O-N 3.36Å; K637-D641 VanDerWaalsContact O-CB 3.24Å; K637-D641 WeakPolarHBondContact O-CB 3.46Å; K637-D641 PolarHBondContact O-N 3.2Å
638	Y	93.2	Very high	91.1	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-56	-41.2	175.3	167.5	-90.8	0	0	0	112.4	F425 H428 R483 E487 W504 K634 V635	F425-Y638 HydrophobicContact CB-CE2 3.71Å; F425-Y638 AromaticContact CD2-CE1 3.9Å; F425-Y638 HydrophobicContact CD2-CE1 3.9Å; F425-Y638 HydrophobicContact CD2-CE2 4.28Å; F425-Y638 AromaticContact CD2-CZ 3.56Å; F425-Y638 VanDerWaalsContact CD2-OH 3.27Å; F425-Y638 WeakPolarHBondContact CD2-OH 3.36Å; F425-Y638 HydrophobicContact CG-CE2 4.49Å; H428-Y638 AromaticContact CD2-CG 3.87Å; R483-Y638 VanDerWaalsContact CD-O 3.24Å; R483-Y638 WeakPolarHBondContact CD-O 3.45Å; R483-Y638 PolarHBondContact NE-O 2.76Å; R483-Y638 PolarHBondContact NH1-O 3.09Å; R483-Y638 PolarHBondContact NH1-OH 2.73Å; E487-Y638 PolarHBondContact OE2-OH 3.49Å; E487-Y638 VanDerWaalsContact OE2-OH 3.13Å; W504-Y638 HydrophobicContact CZ2-CE1 4.43Å; K634-Y638 PolarHBondContact O-N 3.26Å; V635-Y638 PolarHBondContact O-N 2.77Å
639	L	94.2	Very high	91.2	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-72.6	-32.3	179.4	-71.7	170.6	0	0	0	113.7	I433 Q436 L437 L440 I480 W504 V635 A636 K637	I433-L639 HydrophobicContact CG2-CD2 4.32Å; Q436-L639 HydrophobicContact CB-CD1 3.84Å; L437-L639 HydrophobicContact CB-CD1 3.97Å; L440-L639 HydrophobicContact CD1-CB 4Å; L440-L639 HydrophobicContact CD1-CD1 4.05Å; I480-L639 HydrophobicContact CD1-CB 4.39Å; I480-L639 HydrophobicContact CD1-CD2 4.35Å; W504-L639 HydrophobicContact CH2-CD2 4.36Å; V635-L639 WeakPolarHBondContact O-CG 3.5Å; V635-L639 PolarHBondContact O-N 3.41Å; A636-L639 PolarHBondContact O-N 3.05Å; K637-L639 VanDerWaalsContact C-N 3.28Å; K637-L639 PolarHBondContact O-N 2.94Å
640	L	90.9	Very high	91.3	Very high	29 Å²	29	56.9 Å²	56.9	15%	0.152	30%	0.302	C	S	.	.	H	α-helix	trans	-96	-12.8	-175.6	-64.2	169.9	0	0	0	114	T413 L440 A636 K637 N642	T413-L640 HydrophobicContact CG2-CD1 4.49Å; L440-L640 HydrophobicContact CD1-CD1 4.39Å; L440-L640 HydrophobicContact CD1-CD2 4.11Å; L440-L640 HydrophobicContact CD1-CG 4.06Å; L440-L640 HydrophobicContact CD2-CD1 4.16Å; L440-L640 HydrophobicContact CD2-CD2 4.39Å; A636-L640 WeakPolarHBondContact O-CB 3.3Å; A636-L640 VanDerWaalsContact O-CG 3.25Å; A636-L640 WeakPolarHBondContact O-CG 3.49Å; A636-L640 PolarHBondContact O-N 3.17Å; K637-L640 PolarHBondContact O-N 3.36Å; L640-N642 PolarHBondContact O-N 2.89Å
641	D	88.1	Confident	91.6	Very high	29 Å²	29	50.2 Å²	50.2	16%	0.155	27%	0.266	C	S	.	.			trans	-67.1	123.7	176.1	-170.8	-17.5	0	0	0	110.4	T422 R483 K637 S643	T422-D641 WeakPolarHBondContact CB-OD2 3.44Å; T422-D641 HydrophobicContact CG2-CB 4.21Å; T422-D641 WeakPolarHBondContact CG2-OD2 3.45Å; T422-D641 PolarHBondContact OG1-OD2 2.69Å; R483-D641 VanDerWaalsContact CZ-O 3.26Å; R483-D641 PolarHBondContact NE-O 3.06Å; R483-D641 PolarHBondContact NH2-O 2.88Å; K637-D641 VanDerWaalsContact O-CB 3.24Å; K637-D641 WeakPolarHBondContact O-CB 3.46Å; K637-D641 PolarHBondContact O-N 3.2Å; D641-S643 WeakPolarHBondContact OD1-CB 3.39Å; D641-S643 PolarHBondContact OD1-N 3Å; D641-S643 PolarHBondContact OD1-OG 3.49Å; D641-S643 PolarHBondContact OD2-OG 3.35Å
642	N	86.8	Confident	91.8	Very high	85 Å²	85	51.8 Å²	51.8	46%	0.455	27%	0.271	S	S	.	.			trans	-105.8	0.8	177.5	-78.1	-44.9	0	0	0	113.5	L640 T644 V645	L640-N642 PolarHBondContact O-N 2.89Å; N642-T644 VanDerWaalsContact C-N 3.27Å; N642-T644 PolarHBondContact O-N 3.32Å; N642-V645 PolarHBondContact O-N 2.68Å
643	S	87.4	Confident	92	Very high	98 Å²	98	55.3 Å²	55.3	69%	0.685	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.5	-175.1	66.2	0	0	0	0	114.6	D641	D641-S643 WeakPolarHBondContact OD1-CB 3.39Å; D641-S643 PolarHBondContact OD1-N 3Å; D641-S643 PolarHBondContact OD1-OG 3.49Å; D641-S643 PolarHBondContact OD2-OG 3.35Å
644	T	86.6	Confident	92.4	Very high	73 Å²	73	53.9 Å²	53.9	45%	0.448	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	9.6	178.9	66.9	0	0	0	0	113.2	R483 N642	R483-T644 PolarHBondContact NH2-OG1 2.92Å; N642-T644 VanDerWaalsContact C-N 3.27Å; N642-T644 PolarHBondContact O-N 3.32Å
645	V	93.3	Very high	92.6	Very high	39 Å²	39	49.3 Å²	49.3	24%	0.236	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-88.1	128.9	-176.4	179.2	0	0	0	0	109.9	N482 R483 N642	N482-V645 HydrophobicContact CB-CG1 3.62Å; R483-V645 HydrophobicContact CB-CG2 4.12Å; N642-V645 PolarHBondContact O-N 2.68Å
646	M	93.5	Very high	92.8	Very high	60 Å²	60	51.5 Å²	51.5	30%	0.296	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-95.2	142.7	-178.8	-55.5	-179.2	78.7	0	0	110.3	S486 L651 A654	S486-M646 PolarHBondContact OG-N 3.44Å; M646-L651 HydrophobicContact CB-CD2 3.84Å; M646-L651 HydrophobicContact CB-CG 3.82Å; M646-L651 HydrophobicContact SD-CD2 4.49Å; M646-A654 HydrophobicContact CE-CB 3.81Å; M646-A654 HydrophobicContact SD-CB 4.42Å
647	D	93.3	Very high	93	Very high	84 Å²	84	58.1 Å²	58.1	45%	0.449	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-72.4	173	171.3	67	82.7	0	0	0	112.2	E649 S650 L651	D647-E649 VanDerWaalsContact C-N 3.34Å; D647-E649 PolarHBondContact O-N 2.74Å; D647-E649 WeakPolarHBondContact OD1-CA 3.11Å; D647-E649 WeakPolarHBondContact OD1-CB 3.12Å; D647-E649 PolarHBondContact OD1-N 3.09Å; D647-S650 PolarHBondContact O-N 3.15Å; D647-S650 PolarHBondContact OD1-N 3.08Å; D647-S650 WeakPolarHBondContact OD2-CB 3.3Å; D647-S650 PolarHBondContact OD2-OG 2.81Å; D647-L651 WeakPolarHBondContact O-CB 3.46Å; D647-L651 WeakPolarHBondContact O-CG 3.46Å; D647-L651 PolarHBondContact O-N 3.42Å
648	E	90.4	Very high	93.2	Very high	90 Å²	90	57.3 Å²	57.3	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-33.6	-174.8	-167.2	175.6	-175.6	0	0	114	Y196 Y652	Y196-E648 WeakPolarHBondContact CD1-OE2 3.32Å; Y196-E648 HydrophobicContact CE1-CB 4.15Å; Y196-E648 HydrophobicContact CE1-CG 4.08Å; E648-Y652 PolarHBondContact O-N 2.99Å
649	E	93.8	Very high	93.4	Very high	148 Å²	148	57.9 Å²	57.9	69%	0.692	30%	0.295	S	S	*	.	H	α-helix	trans	-73.6	-50.6	177.1	-173.9	162.2	-142.7	0	0	109.6	D647 L651 Y652 E653	D647-E649 VanDerWaalsContact C-N 3.34Å; D647-E649 PolarHBondContact O-N 2.74Å; D647-E649 WeakPolarHBondContact OD1-CA 3.11Å; D647-E649 WeakPolarHBondContact OD1-CB 3.12Å; D647-E649 PolarHBondContact OD1-N 3.09Å; E649-L651 VanDerWaalsContact C-N 3.32Å; E649-L651 PolarHBondContact O-N 3.09Å; E649-Y652 PolarHBondContact O-N 2.86Å; E649-E653 PolarHBondContact O-N 3.32Å
650	S	95.6	Very high	93.3	Very high	41 Å²	41	62 Å²	62	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-55.3	-41.2	174	-69.1	0	0	0	0	113.1	D647 Y652 A654	D647-S650 PolarHBondContact O-N 3.15Å; D647-S650 PolarHBondContact OD1-N 3.08Å; D647-S650 WeakPolarHBondContact OD2-CB 3.3Å; D647-S650 PolarHBondContact OD2-OG 2.81Å; S650-Y652 VanDerWaalsContact C-N 3.34Å; S650-A654 VanDerWaalsContact O-CB 3.24Å; S650-A654 WeakPolarHBondContact O-CB 3.39Å; S650-A654 PolarHBondContact O-N 3.14Å
651	L	96.1	Very high	93.2	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-39.6	174.7	-74.2	167.9	0	0	0	111.6	A485 L489 S531 M646 D647 E649 S655	A485-L651 HydrophobicContact CB-CD1 4.05Å; A485-L651 HydrophobicContact CB-CD2 3.92Å; L489-L651 HydrophobicContact CD1-CB 4.22Å; L489-L651 HydrophobicContact CD1-CD2 3.73Å; L489-L651 WeakPolarHBondContact CD1-O 3.43Å; S531-L651 WeakPolarHBondContact CB-O 3.46Å; M646-L651 HydrophobicContact CB-CD2 3.84Å; M646-L651 HydrophobicContact CB-CG 3.82Å; M646-L651 HydrophobicContact SD-CD2 4.49Å; D647-L651 WeakPolarHBondContact O-CB 3.46Å; D647-L651 WeakPolarHBondContact O-CG 3.46Å; D647-L651 PolarHBondContact O-N 3.42Å; E649-L651 VanDerWaalsContact C-N 3.32Å; E649-L651 PolarHBondContact O-N 3.09Å; L651-S655 WeakPolarHBondContact O-CB 3.46Å; L651-S655 PolarHBondContact O-N 3.33Å; L651-S655 VanDerWaalsContact O-N 3.09Å
652	Y	94.9	Very high	92.8	Very high	88 Å²	88	72.5 Å²	72.5	35%	0.345	38%	0.376	S	S	.	.	H	α-helix	trans	-73.9	-40.2	179.4	-168.3	-109.5	0	0	0	112	E648 E649 S650 S655 L656	E648-Y652 PolarHBondContact O-N 2.99Å; E649-Y652 PolarHBondContact O-N 2.86Å; S650-Y652 VanDerWaalsContact C-N 3.34Å; Y652-S655 WeakPolarHBondContact O-CB 3.36Å; Y652-S655 PolarHBondContact O-N 2.71Å; Y652-L656 HydrophobicContact CD1-CD1 3.77Å; Y652-L656 HydrophobicContact CD1-CG 4.44Å; Y652-L656 HydrophobicContact CE1-CD1 3.58Å; Y652-L656 HydrophobicContact CE1-CG 4.25Å; Y652-L656 WeakPolarHBondContact O-CG 3.09Å; Y652-L656 PolarHBondContact O-N 3.07Å
653	E	96.5	Very high	91.7	Very high	127 Å²	127	74.2 Å²	74.2	59%	0.593	39%	0.394	S	S	*	.	H	α-helix	trans	-62.1	-47.2	172.3	-68.9	-154.4	141	0	0	112.2	E649 S655 L656 R657	E649-E653 PolarHBondContact O-N 3.32Å; E653-S655 VanDerWaalsContact C-N 3.28Å; E653-S655 PolarHBondContact O-N 3.11Å; E653-L656 PolarHBondContact O-N 2.76Å; E653-L656 VanDerWaalsContact O-N 3.1Å; E653-R657 WeakPolarHBondContact O-CB 3.46Å; E653-R657 PolarHBondContact O-N 3.3Å
654	A	96.8	Very high	89.6	Confident	5 Å²	5	78.4 Å²	78.4	4%	0.041	42%	0.424	C	S	.	.	H	α-helix	trans	-58.2	-42	175.8	0	0	0	0	0	111.6	L489 M646 S650 R657 I658	L489-A654 HydrophobicContact CB-CB 4.38Å; M646-A654 HydrophobicContact CE-CB 3.81Å; M646-A654 HydrophobicContact SD-CB 4.42Å; S650-A654 VanDerWaalsContact O-CB 3.24Å; S650-A654 WeakPolarHBondContact O-CB 3.39Å; S650-A654 PolarHBondContact O-N 3.14Å; A654-R657 WeakPolarHBondContact O-CB 3.45Å; A654-R657 PolarHBondContact O-N 3.08Å; A654-I658 WeakPolarHBondContact O-CB 3.28Å; A654-I658 WeakPolarHBondContact O-CD1 3.45Å; A654-I658 WeakPolarHBondContact O-CG1 3.08Å; A654-I658 PolarHBondContact O-N 2.95Å
655	S	97.4	Very high	89.8	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-61.2	-44.1	173.9	-176.3	0	0	0	0	112.6	S531 R534 L535 L651 Y652 E653 R657 I658 E659	S531-S655 WeakPolarHBondContact O-CB 3.38Å; S531-S655 PolarHBondContact O-OG 2.76Å; R534-S655 VanDerWaalsContact CD-OG 3.23Å; R534-S655 WeakPolarHBondContact CD-OG 3.45Å; R534-S655 VanDerWaalsContact CG-OG 3.26Å; R534-S655 WeakPolarHBondContact CG-OG 3.24Å; R534-S655 PolarHBondContact NH1-O 2.61Å; R534-S655 PolarHBondContact NH1-OG 3.08Å; L535-S655 WeakPolarHBondContact CD2-OG 3.43Å; L651-S655 WeakPolarHBondContact O-CB 3.46Å; L651-S655 PolarHBondContact O-N 3.33Å; L651-S655 VanDerWaalsContact O-N 3.09Å; Y652-S655 WeakPolarHBondContact O-CB 3.36Å; Y652-S655 PolarHBondContact O-N 2.71Å; E653-S655 VanDerWaalsContact C-N 3.28Å; E653-S655 PolarHBondContact O-N 3.11Å; S655-R657 VanDerWaalsContact C-N 3.33Å; S655-R657 PolarHBondContact O-N 3.11Å; S655-I658 PolarHBondContact O-N 3.05Å; S655-E659 PolarHBondContact O-N 3.43Å
656	L	96.4	Very high	89.6	Confident	49 Å²	49	80.8 Å²	80.8	26%	0.257	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-35.1	176.9	-72.8	169.6	0	0	0	112.4	Y652 E653 E659 P660 K661	Y652-L656 HydrophobicContact CD1-CD1 3.77Å; Y652-L656 HydrophobicContact CD1-CG 4.44Å; Y652-L656 HydrophobicContact CE1-CD1 3.58Å; Y652-L656 HydrophobicContact CE1-CG 4.25Å; Y652-L656 WeakPolarHBondContact O-CG 3.09Å; Y652-L656 PolarHBondContact O-N 3.07Å; E653-L656 PolarHBondContact O-N 2.76Å; E653-L656 VanDerWaalsContact O-N 3.1Å; L656-E659 CarbonylContact O-C 3.59Å; L656-P660 WeakPolarHBondContact O-CA 3.27Å; L656-P660 WeakPolarHBondContact O-CG 3.43Å; L656-P660 VanDerWaalsContact O-N 3.13Å; L656-K661 HydrophobicContact CD2-CD 4.27Å; L656-K661 HydrophobicContact CD2-CG 3.89Å
657	R	96.3	Very high	89.3	Confident	139 Å²	139	81.9 Å²	81.9	53%	0.525	44%	0.44	S	S	.	.	H	α-helix	trans	-67.3	-43.7	174.5	-176.6	-177.6	62.6	70.2	7.6	112	D492 E653 A654 S655	D492-R657 IonicContact OD1-CZ 3.94Å; D492-R657 VanDerWaalsContact OD1-CZ 3.28Å; D492-R657 IonicContact OD1-NH1 2.83Å; D492-R657 PolarHBondContact OD1-NH1 2.85Å; D492-R657 IonicContact OD1-NH2 3.93Å; D492-R657 PolarHBondContact OD1-NH2 3.27Å; D492-R657 IonicContact OD2-CZ 2.71Å; D492-R657 IonicContact OD2-NH1 3.95Å; D492-R657 PolarHBondContact OD2-NH1 3.17Å; E653-R657 WeakPolarHBondContact O-CB 3.46Å; E653-R657 PolarHBondContact O-N 3.3Å; A654-R657 WeakPolarHBondContact O-CB 3.45Å; A654-R657 PolarHBondContact O-N 3.08Å; S655-R657 VanDerWaalsContact C-N 3.33Å; S655-R657 PolarHBondContact O-N 3.11Å
658	I	96.3	Very high	89.1	Confident	10 Å²	10	81.8 Å²	81.8	5%	0.051	44%	0.44	C	S	.	.	H	α-helix	trans	-76.6	-39.1	-176.5	-69.4	166.8	0	0	0	112.4	L489 D492 R497 L535 R537 A654 S655	L489-I658 HydrophobicContact CD2-CD1 4.02Å; L489-I658 VanDerWaalsContact O-CD1 3.24Å; L489-I658 WeakPolarHBondContact O-CD1 3.39Å; D492-I658 VanDerWaalsContact OD1-CG1 3.31Å; D492-I658 WeakPolarHBondContact OD1-CG1 3.5Å; R497-I658 VanDerWaalsContact NH1-CG2 3.33Å; L535-I658 HydrophobicContact CD2-CG2 4.47Å; R537-I658 PolarHBondContact NH2-O 3.39Å; A654-I658 WeakPolarHBondContact O-CB 3.28Å; A654-I658 WeakPolarHBondContact O-CD1 3.45Å; A654-I658 WeakPolarHBondContact O-CG1 3.08Å; A654-I658 PolarHBondContact O-N 2.95Å; S655-I658 PolarHBondContact O-N 3.05Å
659	E	95.9	Very high	89	Confident	16 Å²	16	81.3 Å²	81.3	8%	0.075	44%	0.441	C	S	.	.	S	Bend	trans	-135.9	92.3	171.5	-70	-173.6	-153.6	0	0	109.6	R497 R534 L535 K536 R537 T538 S655 L656	R497-E659 IonicContact NH2-OE1 3.36Å; R534-E659 VanDerWaalsContact CZ-O 3.25Å; R534-E659 PolarHBondContact NH1-O 2.77Å; R534-E659 PolarHBondContact NH2-O 3.43Å; L535-E659 VanDerWaalsContact CA-OE2 3.26Å; L535-E659 WeakPolarHBondContact CA-OE2 3.47Å; L535-E659 HydrophobicContact CD2-CB 3.91Å; L535-E659 HydrophobicContact CD2-CG 3.96Å; K536-E659 PolarHBondContact N-OE2 3.21Å; R537-E659 HydrophobicContact CB-CG 4.45Å; R537-E659 WeakPolarHBondContact CB-OE2 3.42Å; R537-E659 PolarHBondContact N-OE2 3Å; T538-E659 WeakPolarHBondContact CB-OE1 3.43Å; T538-E659 PolarHBondContact N-OE1 3.14Å; T538-E659 PolarHBondContact OG1-OE1 2.94Å; S655-E659 PolarHBondContact O-N 3.43Å; L656-E659 CarbonylContact O-C 3.59Å
660	P	93.6	Very high	88.7	Confident	90 Å²	90	76.9 Å²	76.9	58%	0.584	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-55.4	154.7	176.8	-29	36.4	0	0	0	113.5	L656 T662	L656-P660 WeakPolarHBondContact O-CA 3.27Å; L656-P660 WeakPolarHBondContact O-CG 3.43Å; L656-P660 VanDerWaalsContact O-N 3.13Å; P660-T662 PolarHBondContact O-N 3.36Å
661	K	88.7	Confident	88.2	Confident	147 Å²	147	79.4 Å²	79.4	64%	0.639	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-62.6	123.3	167.7	-69	176.8	-179	173.5	0	108.1	L656 S663	L656-K661 HydrophobicContact CD2-CD 4.27Å; L656-K661 HydrophobicContact CD2-CG 3.89Å; K661-S663 PolarHBondContact O-N 3.35Å
662	T	80	Confident	87.6	Confident	133 Å²	133	85.5 Å²	85.5	82%	0.816	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-61.9	119	168.2	46.7	0	0	0	0	108.9	P660 S664	P660-T662 PolarHBondContact O-N 3.36Å; T662-S664 PolarHBondContact O-N 3.17Å
663	S	62.8	Low	87	Confident	120 Å²	120	85.3 Å²	85.3	84%	0.839	48%	0.477	S	S	*	.			trans	-62.9	114.2	164	51.1	0	0	0	0	108.5	K661	K661-S663 PolarHBondContact O-N 3.35Å
664	S	43.5	Very low	86.2	Confident	187 Å²	187	81.5 Å²	81.5	100%	1.308	47%	0.467	S	S	*	.			trans	-74.9	0	175.1	57.4	0	0	0	0	111.8	T662	T662-S664 PolarHBondContact O-N 3.17Å

Retrieved 664 of 664 residues in 153.2 ms (Link to these results)

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