A0A087XXT8_POEFO Loading...

G protein-coupled receptor kinase

AlphaFold DB , UniProt , Accession A0A087XXT8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 563 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	45.1	Very low	67.1	Low	228 Å²	228	82.7 Å²	82.7	100%	1.123	47%	0.471	S	S	*	.				0	109.9	0	-146.5	177.3	-77.6	0	0	105.2	I3	M1-I3 PolarHBondContact O-N 3.3Å
2	D	49	Very low	68.4	Low	126 Å²	126	78.7 Å²	78.7	67%	0.674	45%	0.447	S	S	*	.			trans	-71.1	108.2	-174.6	-174.9	1.6	0	0	0	109.4	G4 L6	D2-G4 PolarHBondContact O-N 3.27Å; D2-G4 PolarHBondContact OD1-N 2.86Å; D2-L6 PolarHBondContact O-N 3.29Å
3	I	58.6	Low	69.3	Low	135 Å²	135	77.9 Å²	77.9	69%	0.692	45%	0.449	S	S	*	.	H	α-helix	trans	-66	-28.4	-175.4	-63.4	174.8	0	0	0	110.4	M1 L6 T7	M1-I3 PolarHBondContact O-N 3.3Å; I3-L6 PolarHBondContact O-N 3.11Å; I3-T7 PolarHBondContact O-N 3.31Å
4	G	56.7	Low	70	Confident	11 Å²	11	75.7 Å²	75.7	11%	0.113	45%	0.445	C	S	.	.	H	α-helix	trans	-73.1	-39.9	-179.7	0	0	0	0	0	113.6	D2 L6 T7 T8 D486	D2-G4 PolarHBondContact O-N 3.27Å; D2-G4 PolarHBondContact OD1-N 2.86Å; G4-L6 VanDerWaalsContact C-N 3.27Å; G4-L6 PolarHBondContact O-N 2.83Å; G4-T7 PolarHBondContact O-N 3.36Å; G4-T7 PolarHBondContact O-OG1 2.9Å; G4-T8 PolarHBondContact O-N 2.73Å; G4-T8 PolarHBondContact O-OG1 3.49Å; G4-D486 WeakPolarHBondContact CA-OD1 3.25Å; G4-D486 WeakPolarHBondContact CA-OD2 3.46Å
5	G	66.4	Low	70.8	Confident	32 Å²	32	70.7 Å²	70.7	33%	0.33	42%	0.416	S	S	.	.	H	α-helix	trans	-59.3	-39	171.5	0	0	0	0	0	112.5	V9	G5-V9 VanDerWaalsContact O-CG2 3.27Å; G5-V9 WeakPolarHBondContact O-CG2 3.5Å; G5-V9 PolarHBondContact O-N 3.45Å
6	L	70.9	Confident	71.5	Confident	108 Å²	108	69.1 Å²	69.1	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-68.8	-40.7	179.8	-170.4	67	0	0	0	112.6	D2 I3 G4 V9 V10	D2-L6 PolarHBondContact O-N 3.29Å; I3-L6 PolarHBondContact O-N 3.11Å; G4-L6 VanDerWaalsContact C-N 3.27Å; G4-L6 PolarHBondContact O-N 2.83Å; L6-V9 PolarHBondContact O-N 2.95Å; L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.43Å; L6-V10 PolarHBondContact O-N 3.3Å
7	T	74.3	Confident	71.9	Confident	70 Å²	70	70.6 Å²	70.6	43%	0.429	42%	0.419	S	S	.	.	H	α-helix	trans	-64.7	-40.6	177.8	54	0	0	0	0	111.6	I3 G4 V10 A11	I3-T7 PolarHBondContact O-N 3.31Å; G4-T7 PolarHBondContact O-N 3.36Å; G4-T7 PolarHBondContact O-OG1 2.9Å; T7-V10 PolarHBondContact O-N 3.28Å; T7-A11 WeakPolarHBondContact O-CB 3.47Å; T7-A11 PolarHBondContact O-N 3.08Å
8	T	78.7	Confident	72	Confident	8 Å²	8	67.2 Å²	67.2	5%	0.049	40%	0.4	C	S	.	.	H	α-helix	trans	-61.9	-48.2	174.5	-60.4	0	0	0	0	111	G4 V10 A11 N12 D484 L485	G4-T8 PolarHBondContact O-N 2.73Å; G4-T8 PolarHBondContact O-OG1 3.49Å; T8-V10 PolarHBondContact O-N 3.28Å; T8-A11 PolarHBondContact O-N 3.07Å; T8-N12 WeakPolarHBondContact O-CB 2.85Å; T8-N12 PolarHBondContact O-N 3.4Å; T8-N12 PolarHBondContact O-OD1 2.76Å; T8-D484 HydrophobicContact CG2-CB 4.41Å; T8-L485 PolarHBondContact OG1-N 3.21Å
9	V	78.9	Confident	72.2	Confident	84 Å²	84	65.3 Å²	65.3	51%	0.509	39%	0.385	S	S	.	.	H	α-helix	trans	-60.8	-43.4	179.4	170.3	0	0	0	0	112.2	G5 L6 N12 S13	G5-V9 VanDerWaalsContact O-CG2 3.27Å; G5-V9 WeakPolarHBondContact O-CG2 3.5Å; G5-V9 PolarHBondContact O-N 3.45Å; L6-V9 PolarHBondContact O-N 2.95Å; V9-N12 PolarHBondContact O-N 3.02Å; V9-S13 WeakPolarHBondContact O-CB 3.32Å; V9-S13 PolarHBondContact O-N 3.37Å; V9-S13 PolarHBondContact O-OG 3.47Å
10	V	80	Confident	71.7	Confident	91 Å²	91	63.3 Å²	63.3	55%	0.552	38%	0.379	S	S	*	.	H	α-helix	trans	-65.1	-46.9	178.9	172.2	0	0	0	0	111.1	L6 T7 T8 N12 S13 A14	L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.43Å; L6-V10 PolarHBondContact O-N 3.3Å; T7-V10 PolarHBondContact O-N 3.28Å; T8-V10 PolarHBondContact O-N 3.28Å; V10-N12 VanDerWaalsContact C-N 3.33Å; V10-N12 PolarHBondContact O-N 3.11Å; V10-S13 PolarHBondContact O-N 3.19Å; V10-A14 PolarHBondContact O-N 3.42Å
11	A	79.1	Confident	70.6	Confident	17 Å²	17	63.3 Å²	63.3	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-40.1	177.9	0	0	0	0	0	111.9	T7 T8 Y15 R195 L485	T7-A11 WeakPolarHBondContact O-CB 3.47Å; T7-A11 PolarHBondContact O-N 3.08Å; T8-A11 PolarHBondContact O-N 3.07Å; A11-Y15 VanDerWaalsContact O-CB 3.22Å; A11-Y15 WeakPolarHBondContact O-CB 3.35Å; A11-Y15 PolarHBondContact O-N 2.91Å; A11-R195 HydrophobicContact CB-CB 4.44Å; A11-R195 HydrophobicContact CB-CG 4.37Å; A11-L485 HydrophobicContact CB-CD1 3.83Å
12	N	82.8	Confident	70.8	Confident	34 Å²	34	59.2 Å²	59.2	18%	0.182	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-45.1	177	-65.6	6.5	0	0	0	111.1	T8 V9 V10 Y15 I16 R195	T8-N12 WeakPolarHBondContact O-CB 2.85Å; T8-N12 PolarHBondContact O-N 3.4Å; T8-N12 PolarHBondContact O-OD1 2.76Å; V9-N12 PolarHBondContact O-N 3.02Å; V10-N12 VanDerWaalsContact C-N 3.33Å; V10-N12 PolarHBondContact O-N 3.11Å; N12-Y15 PolarHBondContact O-N 3.12Å; N12-I16 WeakPolarHBondContact O-CB 3.45Å; N12-I16 WeakPolarHBondContact O-CD1 3.47Å; N12-I16 WeakPolarHBondContact O-CG1 3.49Å; N12-I16 PolarHBondContact O-N 3.12Å; N12-R195 PolarHBondContact ND2-NH1 3.14Å; N12-R195 WeakPolarHBondContact OD1-CD 3.28Å; N12-R195 PolarHBondContact OD1-NE 3.11Å; N12-R195 PolarHBondContact OD1-NH1 2.88Å
13	S	81	Confident	70.3	Confident	69 Å²	69	57.8 Å²	57.8	48%	0.483	35%	0.35	S	S	.	.	H	α-helix	trans	-63.5	-45	-179.8	-57.7	0	0	0	0	111.5	V9 V10 Y15 S17	V9-S13 WeakPolarHBondContact O-CB 3.32Å; V9-S13 PolarHBondContact O-N 3.37Å; V9-S13 PolarHBondContact O-OG 3.47Å; V10-S13 PolarHBondContact O-N 3.19Å; S13-Y15 PolarHBondContact O-N 3.3Å; S13-S17 WeakPolarHBondContact O-CB 3.1Å; S13-S17 PolarHBondContact O-N 3.31Å
14	A	79.1	Confident	69.5	Low	47 Å²	47	55.1 Å²	55.1	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-43.3	175.6	0	0	0	0	0	111.8	V10 S17 A18	V10-A14 PolarHBondContact O-N 3.42Å; A14-S17 PolarHBondContact O-N 2.87Å; A14-A18 WeakPolarHBondContact O-CB 3.22Å; A14-A18 PolarHBondContact O-N 3.08Å
15	Y	81.6	Confident	68.8	Low	1 Å²	1	59 Å²	59	0%	0.004	38%	0.378	C	S	.	.	H	α-helix	trans	-65.9	-45.6	178.8	177.1	-125.8	0	0	0	113.1	A11 N12 S13 S17 A18 R19 F194 R195 L197 A207 I270 N272 V480	A11-Y15 VanDerWaalsContact O-CB 3.22Å; A11-Y15 WeakPolarHBondContact O-CB 3.35Å; A11-Y15 PolarHBondContact O-N 2.91Å; N12-Y15 PolarHBondContact O-N 3.12Å; S13-Y15 PolarHBondContact O-N 3.3Å; Y15-S17 VanDerWaalsContact C-N 3.31Å; Y15-S17 PolarHBondContact O-N 3.1Å; Y15-A18 PolarHBondContact O-N 2.6Å; Y15-R19 HydrophobicContact CE2-CG 4.33Å; Y15-R19 WeakPolarHBondContact O-CG 3.34Å; Y15-R19 PolarHBondContact O-N 2.97Å; Y15-R19 VanDerWaalsContact O-N 3.07Å; Y15-F194 HydrophobicContact CD2-CB 4.45Å; Y15-R195 HydrophobicContact CG-CB 4.21Å; Y15-L197 HydrophobicContact CE1-CD2 4.09Å; Y15-A207 HydrophobicContact CD2-CB 3.66Å; Y15-A207 HydrophobicContact CE2-CB 3.24Å; Y15-I270 HydrophobicContact CE2-CD1 4.01Å; Y15-N272 PolarHBondContact OH-OD1 3Å; Y15-V480 HydrophobicContact CD1-CG1 4.36Å; Y15-V480 HydrophobicContact CD1-CG2 3.98Å; Y15-V480 HydrophobicContact CE1-CG1 4.07Å; Y15-V480 HydrophobicContact CE1-CG2 4.26Å
16	I	82.1	Confident	68.1	Low	45 Å²	45	59 Å²	59	23%	0.231	38%	0.375	C	S	.	.	H	α-helix	trans	-61.9	-41.9	175.8	-68.2	163.5	0	0	0	110.1	N12 A18 R19 K478 V480	N12-I16 WeakPolarHBondContact O-CB 3.45Å; N12-I16 WeakPolarHBondContact O-CD1 3.47Å; N12-I16 WeakPolarHBondContact O-CG1 3.49Å; N12-I16 PolarHBondContact O-N 3.12Å; I16-A18 VanDerWaalsContact C-N 3.31Å; I16-A18 PolarHBondContact O-N 2.74Å; I16-R19 WeakPolarHBondContact O-CB 3.38Å; I16-R19 PolarHBondContact O-N 2.89Å; I16-K478 WeakPolarHBondContact CD1-O 3.46Å; I16-V480 HydrophobicContact CD1-CG2 4.26Å; I16-V480 HydrophobicContact CG1-CG2 4.19Å
17	S	78.8	Confident	67.6	Low	94 Å²	94	58.4 Å²	58.4	66%	0.657	37%	0.372	S	S	*	.	H	α-helix	trans	-62.2	-38.5	175.2	-172.1	0	0	0	0	112.4	S13 A14 Y15 G20	S13-S17 WeakPolarHBondContact O-CB 3.1Å; S13-S17 PolarHBondContact O-N 3.31Å; A14-S17 PolarHBondContact O-N 2.87Å; Y15-S17 VanDerWaalsContact C-N 3.31Å; Y15-S17 PolarHBondContact O-N 3.1Å; S17-G20 PolarHBondContact O-N 2.97Å
18	A	73.1	Confident	67	Low	10 Å²	10	56.9 Å²	56.9	8%	0.083	36%	0.364	C	S	.	.	H	α-helix	trans	-69.5	-31.3	179.6	0	0	0	0	0	112.9	A14 Y15 I16 G20 F194 L216	A14-A18 WeakPolarHBondContact O-CB 3.22Å; A14-A18 PolarHBondContact O-N 3.08Å; Y15-A18 PolarHBondContact O-N 2.6Å; I16-A18 VanDerWaalsContact C-N 3.31Å; I16-A18 PolarHBondContact O-N 2.74Å; A18-G20 PolarHBondContact O-N 3.27Å; A18-G20 VanDerWaalsContact O-N 3.14Å; A18-F194 HydrophobicContact CB-CD1 3.83Å; A18-F194 HydrophobicContact CB-CE1 3.56Å; A18-F194 HydrophobicContact CB-CE2 4.31Å; A18-F194 HydrophobicContact CB-CG 4.3Å; A18-F194 HydrophobicContact CB-CZ 3.82Å; A18-L216 HydrophobicContact CB-CD2 4.42Å
19	R	74.8	Confident	66.3	Low	31 Å²	31	58.3 Å²	58.3	12%	0.117	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.9	172.9	-71.3	168.3	69.9	-174.4	4.5	113.1	Y15 I16 L216 N328 S477 T479	Y15-R19 HydrophobicContact CE2-CG 4.33Å; Y15-R19 WeakPolarHBondContact O-CG 3.34Å; Y15-R19 PolarHBondContact O-N 2.97Å; Y15-R19 VanDerWaalsContact O-N 3.07Å; I16-R19 WeakPolarHBondContact O-CB 3.38Å; I16-R19 PolarHBondContact O-N 2.89Å; R19-L216 HydrophobicContact CB-CD1 4.45Å; R19-L216 HydrophobicContact CG-CD1 4.16Å; R19-N328 PolarHBondContact NH2-OD1 3.19Å; R19-S477 PolarHBondContact NH1-O 3.31Å; R19-T479 PolarHBondContact NH1-O 3.12Å
20	G	63.5	Low	65.8	Low	25 Å²	25	59.9 Å²	59.9	26%	0.258	39%	0.386	S	S	.	.			trans	76.5	-173.9	178.2	0	0	0	0	0	113.6	S17 A18	S17-G20 PolarHBondContact O-N 2.97Å; A18-G20 PolarHBondContact O-N 3.27Å; A18-G20 VanDerWaalsContact O-N 3.14Å
21	S	47.8	Very low	65.5	Low	63 Å²	63	58.6 Å²	58.6	44%	0.441	38%	0.376	S	S	.	.	S	Bend	trans	-50.4	145.9	-175.2	-177.6	0	0	0	0	113.7	D23 G24	S21-D23 VanDerWaalsContact C-OD1 3.24Å; S21-D23 VanDerWaalsContact CB-OD1 3.25Å; S21-D23 WeakPolarHBondContact CB-OD1 3.48Å; S21-D23 PolarHBondContact O-N 3.23Å; S21-D23 PolarHBondContact OG-OD1 2.86Å; S21-G24 PolarHBondContact O-N 2.89Å
22	F	49.9	Very low	66.1	Low	142 Å²	142	59.6 Å²	59.6	62%	0.623	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	8.4	-162.6	-62.3	-82.8	0	0	0	116.9	K478	F22-K478 HydrophobicContact CD1-CG 4.3Å; F22-K478 HydrophobicContact CE1-CD 4.42Å; F22-K478 HydrophobicContact CE1-CG 3.98Å
23	D	39	Very low	66.6	Low	96 Å²	96	61 Å²	61	51%	0.513	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	8.4	-164.2	54.4	-30.7	0	0	0	113	S21 T25	S21-D23 VanDerWaalsContact C-OD1 3.24Å; S21-D23 VanDerWaalsContact CB-OD1 3.25Å; S21-D23 WeakPolarHBondContact CB-OD1 3.48Å; S21-D23 PolarHBondContact O-N 3.23Å; S21-D23 PolarHBondContact OG-OD1 2.86Å; D23-T25 HydrophobicContact CB-CG2 4.41Å; D23-T25 PolarHBondContact O-N 2.84Å; D23-T25 PolarHBondContact OD1-OG1 3Å; D23-T25 WeakPolarHBondContact OD2-CG2 3.39Å; D23-T25 PolarHBondContact OD2-OG1 3.48Å
24	G	41.2	Very low	67.2	Low	79 Å²	79	66.7 Å²	66.7	81%	0.814	40%	0.399	S	S	*	.	S	Bend	trans	73.8	3.5	178.6	0	0	0	0	0	114.3	S21 A26	S21-G24 PolarHBondContact O-N 2.89Å; G24-A26 VanDerWaalsContact C-N 3.32Å
25	T	40.8	Very low	68	Low	93 Å²	93	70.2 Å²	70.2	57%	0.571	41%	0.406	S	S	*	.			trans	-90	6.8	179.5	64.3	0	0	0	0	113.3	D23 N27	D23-T25 HydrophobicContact CB-CG2 4.41Å; D23-T25 PolarHBondContact O-N 2.84Å; D23-T25 PolarHBondContact OD1-OG1 3Å; D23-T25 WeakPolarHBondContact OD2-CG2 3.39Å; D23-T25 PolarHBondContact OD2-OG1 3.48Å; T25-N27 PolarHBondContact O-N 3.07Å
26	A	53.3	Low	68.6	Low	32 Å²	32	71.1 Å²	71.1	26%	0.264	41%	0.41	S	S	.	.			trans	-58.8	105	-177.7	0	0	0	0	0	110.5	G24 P28	G24-A26 VanDerWaalsContact C-N 3.32Å; A26-P28 WeakPolarHBondContact O-CD 3.47Å
27	N	59	Low	69.3	Low	95 Å²	95	71 Å²	71	51%	0.508	41%	0.406	S	S	.	.			trans	-61.4	110.6	179.8	-176.8	-7.8	0	0	0	109.3	T25 A29 V30	T25-N27 PolarHBondContact O-N 3.07Å; N27-A29 PolarHBondContact O-N 3.02Å; N27-A29 WeakPolarHBondContact OD1-CB 3.37Å; N27-A29 PolarHBondContact OD1-N 3.44Å; N27-V30 HydrophobicContact CB-CG2 4.16Å; N27-V30 PolarHBondContact O-N 3.16Å
28	P	61.6	Low	70	Confident	39 Å²	39	69.5 Å²	69.5	25%	0.253	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-56.9	-24.1	-178.1	-24	35.2	0	0	0	112.1	A26 V30 N31 R32 T526	A26-P28 WeakPolarHBondContact O-CD 3.47Å; P28-V30 PolarHBondContact O-N 3.22Å; P28-N31 PolarHBondContact O-N 2.69Å; P28-R32 WeakPolarHBondContact O-CG 3.02Å; P28-T526 HydrophobicContact CB-CG2 3.99Å; P28-T526 HydrophobicContact CG-CG2 4.24Å
29	A	64.5	Low	71.1	Confident	37 Å²	37	74 Å²	74	31%	0.306	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-57	-30.3	175.9	0	0	0	0	0	114.5	N27 N31	N27-A29 PolarHBondContact O-N 3.02Å; N27-A29 WeakPolarHBondContact OD1-CB 3.37Å; N27-A29 PolarHBondContact OD1-N 3.44Å; A29-N31 VanDerWaalsContact C-N 3.29Å; A29-N31 PolarHBondContact O-N 3.34Å
30	V	67.9	Low	72.1	Confident	117 Å²	117	72.8 Å²	72.8	71%	0.709	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-70.2	-29.1	-177.7	179.7	0	0	0	0	111.7	N27 P28	N27-V30 HydrophobicContact CB-CG2 4.16Å; N27-V30 PolarHBondContact O-N 3.16Å; P28-V30 PolarHBondContact O-N 3.22Å
31	N	75.6	Confident	73.6	Confident	65 Å²	65	78.1 Å²	78.1	35%	0.348	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-101.3	10.6	-174.7	-65.8	-29.8	0	0	0	113.6	P28 A29	P28-N31 PolarHBondContact O-N 2.69Å; A29-N31 VanDerWaalsContact C-N 3.29Å; A29-N31 PolarHBondContact O-N 3.34Å
32	R	89.9	Confident	76	Confident	37 Å²	37	76.5 Å²	76.5	14%	0.14	41%	0.408	C	S	.	.			trans	-77.4	131.8	-178.5	-58.5	-172.2	-164.8	145.6	1	111.8	P28 K34 T213 T526 E531	P28-R32 WeakPolarHBondContact O-CG 3.02Å; R32-K34 PolarHBondContact O-N 2.98Å; R32-T213 WeakPolarHBondContact CG-O 3.41Å; R32-T213 PolarHBondContact NE-O 3.16Å; R32-T526 PolarHBondContact NH2-O 2.75Å; R32-E531 IonicContact CZ-OE1 3.22Å; R32-E531 VanDerWaalsContact CZ-OE1 3.31Å; R32-E531 VanDerWaalsContact NH1-CD 3.3Å; R32-E531 IonicContact NH1-OE1 2.69Å; R32-E531 PolarHBondContact NH1-OE1 2.92Å; R32-E531 IonicContact NH1-OE2 3.31Å; R32-E531 PolarHBondContact NH1-OE2 3.45Å; R32-E531 VanDerWaalsContact NH1-OE2 3.08Å; R32-E531 IonicContact NH2-OE1 2.63Å; R32-E531 PolarHBondContact NH2-OE1 2.87Å
33	D	93.8	Very high	78.2	Confident	65 Å²	65	70.5 Å²	70.5	35%	0.348	38%	0.384	S	S	.	.			trans	-71.5	120.9	167.6	-177.6	-60.7	0	0	0	109.5	K35 Y36 R37 K211	D33-K35 VanDerWaalsContact C-N 3.28Å; D33-K35 PolarHBondContact O-N 3.35Å; D33-K35 WeakPolarHBondContact OD1-CA 3.38Å; D33-K35 VanDerWaalsContact OD1-CB 3.22Å; D33-K35 WeakPolarHBondContact OD1-CB 3.48Å; D33-K35 PolarHBondContact OD1-N 2.69Å; D33-Y36 HydrophobicContact CB-CD2 4.19Å; D33-Y36 PolarHBondContact O-N 3.17Å; D33-Y36 PolarHBondContact OD1-N 3.15Å; D33-Y36 VanDerWaalsContact OD1-N 3.16Å; D33-R37 VanDerWaalsContact O-CB 3.32Å; D33-R37 WeakPolarHBondContact O-CB 3.33Å; D33-R37 PolarHBondContact O-N 3.38Å; D33-K211 HydrophobicContact CB-CB 3.9Å; D33-K211 HydrophobicContact CB-CG 4.48Å; D33-K211 PolarHBondContact N-O 2.85Å
34	K	93.5	Very high	80.9	Confident	187 Å²	187	67.9 Å²	67.9	81%	0.813	37%	0.369	S	S	*	.	H	α-helix	trans	-58.1	-37.1	-177	-66.4	-175.8	-179.3	179.5	0	113	R32 S38	R32-K34 PolarHBondContact O-N 2.98Å; K34-S38 WeakPolarHBondContact O-CB 3.47Å; K34-S38 PolarHBondContact O-N 3.29Å
35	K	95.4	Very high	83.5	Confident	122 Å²	122	64.7 Å²	64.7	53%	0.53	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-49.6	-179.9	177.6	-171.6	174.8	-173.5	0	109.7	D33 S38	D33-K35 VanDerWaalsContact C-N 3.28Å; D33-K35 PolarHBondContact O-N 3.35Å; D33-K35 WeakPolarHBondContact OD1-CA 3.38Å; D33-K35 VanDerWaalsContact OD1-CB 3.22Å; D33-K35 WeakPolarHBondContact OD1-CB 3.48Å; D33-K35 PolarHBondContact OD1-N 2.69Å; K35-S38 PolarHBondContact O-N 3.49Å; K35-S38 PolarHBondContact O-OG 3.36Å
36	Y	95.9	Very high	86	Confident	19 Å²	19	62.5 Å²	62.5	8%	0.075	32%	0.319	C	S	.	.	H	α-helix	trans	-69.2	-40.7	-179.8	-76.8	-89.1	0	0	0	112.3	D33 S38 R39 D189 W190 K211	D33-Y36 HydrophobicContact CB-CD2 4.19Å; D33-Y36 PolarHBondContact O-N 3.17Å; D33-Y36 PolarHBondContact OD1-N 3.15Å; D33-Y36 VanDerWaalsContact OD1-N 3.16Å; Y36-S38 PolarHBondContact O-N 3.44Å; Y36-R39 VanDerWaalsContact CE1-NH1 3.26Å; Y36-R39 WeakPolarHBondContact O-CB 3.3Å; Y36-R39 PolarHBondContact O-N 2.91Å; Y36-D189 WeakPolarHBondContact CE1-O 3.45Å; Y36-D189 VanDerWaalsContact CE1-OD2 3.29Å; Y36-D189 WeakPolarHBondContact CE1-OD2 3.41Å; Y36-D189 WeakPolarHBondContact OH-CB 3.4Å; Y36-D189 PolarHBondContact OH-O 2.6Å; Y36-D189 PolarHBondContact OH-OD2 2.85Å; Y36-W190 HydrophobicContact CD1-CB 4.47Å; Y36-W190 AromaticContact CD1-CD2 3.61Å; Y36-W190 HydrophobicContact CD1-CD2 3.61Å; Y36-W190 AromaticContact CD1-CE3 3.52Å; Y36-W190 HydrophobicContact CD1-CE3 3.52Å; Y36-W190 HydrophobicContact CD1-CG 4.01Å; Y36-W190 HydrophobicContact CD1-CZ3 4.07Å; Y36-W190 HydrophobicContact CE1-CB 4.38Å; Y36-W190 AromaticContact CE1-CD2 3.95Å; Y36-W190 HydrophobicContact CE1-CD2 3.95Å; Y36-W190 HydrophobicContact CE1-CE3 4.33Å; Y36-W190 AromaticContact CE1-CG 3.93Å; Y36-W190 HydrophobicContact CE1-CG 3.93Å; Y36-W190 HydrophobicContact CG-CE3 4.41Å; Y36-K211 HydrophobicContact CD1-CB 4.46Å; Y36-K211 HydrophobicContact CD2-CB 3.9Å; Y36-K211 HydrophobicContact CD2-CD 3.74Å; Y36-K211 HydrophobicContact CD2-CG 4.46Å; Y36-K211 HydrophobicContact CE2-CD 3.69Å; Y36-K211 HydrophobicContact CG-CB 3.81Å; Y36-K211 HydrophobicContact CG-CD 4.3Å
37	R	95.3	Very high	88	Confident	44 Å²	44	64.8 Å²	64.8	17%	0.166	33%	0.33	C	S	.	.	H	α-helix	trans	-56.1	-39.8	172.8	174.7	60.6	-170.1	92.3	-8.8	112	D33 R39 L40 G212 E531	D33-R37 VanDerWaalsContact O-CB 3.32Å; D33-R37 WeakPolarHBondContact O-CB 3.33Å; D33-R37 PolarHBondContact O-N 3.38Å; R37-R39 PolarHBondContact O-N 3.11Å; R37-L40 PolarHBondContact NH1-O 3.36Å; R37-L40 VanDerWaalsContact NH1-O 3.1Å; R37-L40 PolarHBondContact O-N 3.49Å; R37-L40 VanDerWaalsContact O-N 3.15Å; R37-G212 WeakPolarHBondContact CD-O 3.42Å; R37-E531 IonicContact CZ-OE2 2.64Å; R37-E531 VanDerWaalsContact CZ-OE2 3.31Å; R37-E531 IonicContact NE-OE2 3.35Å; R37-E531 PolarHBondContact NE-OE2 2.97Å; R37-E531 IonicContact NH2-OE2 2.69Å; R37-E531 PolarHBondContact NH2-OE2 2.72Å
38	S	94.6	Very high	89.8	Confident	61 Å²	61	60.3 Å²	60.3	43%	0.427	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.8	179.6	78.2	0	0	0	0	114.6	K34 K35 Y36 K41	K34-S38 WeakPolarHBondContact O-CB 3.47Å; K34-S38 PolarHBondContact O-N 3.29Å; K35-S38 PolarHBondContact O-N 3.49Å; K35-S38 PolarHBondContact O-OG 3.36Å; Y36-S38 PolarHBondContact O-N 3.44Å; S38-K41 WeakPolarHBondContact O-CE 3.49Å
39	R	95.7	Very high	90.9	Very high	105 Å²	105	62.2 Å²	62.2	40%	0.396	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-23.2	173.7	-62.6	177.2	175	-177.3	-4.5	112.4	Y36 R37 K41 D189 W190	Y36-R39 VanDerWaalsContact CE1-NH1 3.26Å; Y36-R39 WeakPolarHBondContact O-CB 3.3Å; Y36-R39 PolarHBondContact O-N 2.91Å; R37-R39 PolarHBondContact O-N 3.11Å; R39-K41 PolarHBondContact O-N 3.46Å; R39-K41 VanDerWaalsContact O-N 3.13Å; R39-D189 IonicContact NH1-OD2 3.06Å; R39-D189 PolarHBondContact NH1-OD2 3.39Å; R39-D189 VanDerWaalsContact NH1-OD2 3.1Å; R39-W190 HydrophobicContact CB-CH2 3.74Å; R39-W190 HydrophobicContact CB-CZ2 4.34Å
40	L	96.1	Very high	92.2	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.031	32%	0.318	C	S	.	.			trans	-78.4	95	175.7	-58.7	177.2	0	0	0	109.6	R37 L181 W190 T213 I528 L532	R37-L40 PolarHBondContact NH1-O 3.36Å; R37-L40 VanDerWaalsContact NH1-O 3.1Å; R37-L40 PolarHBondContact O-N 3.49Å; R37-L40 VanDerWaalsContact O-N 3.15Å; L40-L181 HydrophobicContact CD2-CD1 4.31Å; L40-W190 HydrophobicContact CD2-CH2 4.12Å; L40-W190 HydrophobicContact CD2-CZ3 4.01Å; L40-W190 HydrophobicContact CG-CZ3 4.39Å; L40-T213 HydrophobicContact CD1-CG2 4.04Å; L40-I528 HydrophobicContact CD1-CD1 4.39Å; L40-I528 HydrophobicContact CD1-CG2 4.3Å; L40-L532 HydrophobicContact CB-CD1 4.33Å; L40-L532 WeakPolarHBondContact O-CD1 3.43Å
41	K	95.6	Very high	93.5	Very high	136 Å²	136	58 Å²	58	59%	0.591	29%	0.29	S	S	*	.			trans	-141.7	138.1	179.4	-68.3	-178	175.9	175.1	0	110.1	S38 R39	S38-K41 WeakPolarHBondContact O-CE 3.49Å; R39-K41 PolarHBondContact O-N 3.46Å; R39-K41 VanDerWaalsContact O-N 3.13Å
42	L	96.9	Very high	94.4	Very high	29 Å²	29	60.1 Å²	60.1	15%	0.152	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-70.2	130.4	171.3	-60.6	179.8	0	0	0	109.1	Q177 W178 L181 L532	L42-Q177 HydrophobicContact CB-CB 4.19Å; L42-Q177 HydrophobicContact CD2-CB 4.03Å; L42-Q177 HydrophobicContact CG-CB 4.49Å; L42-W178 HydrophobicContact CD1-CZ2 4.42Å; L42-W178 HydrophobicContact CD2-CD2 3.78Å; L42-W178 HydrophobicContact CD2-CE3 4.12Å; L42-W178 HydrophobicContact CD2-CG 4.09Å; L42-W178 HydrophobicContact CD2-CZ2 4.25Å; L42-W178 HydrophobicContact CD2-CZ3 4.49Å; L42-L181 HydrophobicContact CD2-CD2 4.27Å; L42-L532 HydrophobicContact CD1-CB 4.43Å; L42-L532 HydrophobicContact CG-CB 4.39Å
43	P	96.3	Very high	94.6	Very high	17 Å²	17	66.9 Å²	66.9	11%	0.11	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-74.8	167.3	178.2	36.3	-41.4	0	0	0	110.7	V47 C48 Q177 W180	P43-V47 HydrophobicContact CB-CB 4.1Å; P43-V47 HydrophobicContact CB-CG1 4.39Å; P43-V47 HydrophobicContact CB-CG2 4.33Å; P43-C48 WeakPolarHBondContact CG-SG 3.47Å; P43-Q177 HydrophobicContact CG-CG 4.48Å; P43-Q177 PolarHBondContact O-NE2 3.16Å; P43-W180 HydrophobicContact CB-CD2 4.1Å; P43-W180 HydrophobicContact CB-CE3 3.9Å; P43-W180 HydrophobicContact CB-CH2 4.32Å; P43-W180 HydrophobicContact CB-CZ2 4.5Å; P43-W180 HydrophobicContact CB-CZ3 4.02Å; P43-W180 VanDerWaalsContact CD-CE3 3.49Å; P43-W180 HydrophobicContact CG-CB 4.14Å; P43-W180 HydrophobicContact CG-CD2 3.58Å; P43-W180 HydrophobicContact CG-CE3 3.42Å; P43-W180 VanDerWaalsContact CG-CE3 3.42Å; P43-W180 HydrophobicContact CG-CG 3.89Å; P43-W180 HydrophobicContact CG-CZ3 4.03Å
44	H	96.4	Very high	94.6	Very high	41 Å²	41	68.7 Å²	68.7	19%	0.19	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-64.3	143.9	167	-173	-95.7	0	0	0	110.5	T46 V47 R546 S549	H44-T46 WeakPolarHBondContact ND1-CG2 3.19Å; H44-T46 PolarHBondContact ND1-N 3.14Å; H44-T46 PolarHBondContact ND1-OG1 3.05Å; H44-T46 PolarHBondContact O-N 3.34Å; H44-V47 WeakPolarHBondContact O-CB 3.41Å; H44-V47 WeakPolarHBondContact O-CG2 3.18Å; H44-V47 PolarHBondContact O-N 3.01Å; H44-R546 PolarHBondContact NE2-O 3.05Å; H44-R546 VanDerWaalsContact NE2-O 3.08Å; H44-S549 PolarHBondContact NE2-OG 3.42Å; H44-S549 VanDerWaalsContact NE2-OG 3.16Å
45	I	94.5	Very high	94.7	Very high	11 Å²	11	61.7 Å²	61.7	6%	0.056	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-55	-30.9	-172.6	-171.7	56.3	0	0	0	114.4	V47 C48 E49 K173 D544 L545	I45-V47 PolarHBondContact O-N 3.17Å; I45-V47 VanDerWaalsContact O-N 3.14Å; I45-C48 HydrophobicContact CD1-CB 4.26Å; I45-C48 WeakPolarHBondContact O-CA 3.37Å; I45-C48 PolarHBondContact O-N 3.41Å; I45-E49 PolarHBondContact O-N 3.45Å; I45-K173 HydrophobicContact CD1-CB 3.67Å; I45-K173 HydrophobicContact CD1-CG 4.17Å; I45-K173 HydrophobicContact CG1-CB 4.29Å; I45-K173 HydrophobicContact CG1-CD 4.38Å; I45-K173 HydrophobicContact CG1-CG 4.46Å; I45-D544 PolarHBondContact N-O 2.98Å; I45-L545 HydrophobicContact CB-CD2 4.02Å; I45-L545 HydrophobicContact CD1-CD2 3.98Å; I45-L545 HydrophobicContact CG1-CD2 4.21Å
46	T	94.5	Very high	94.8	Very high	47 Å²	47	60.7 Å²	60.7	29%	0.288	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.1	-24.2	177.7	54.1	0	0	0	0	113.4	H44 C48 R547	H44-T46 WeakPolarHBondContact ND1-CG2 3.19Å; H44-T46 PolarHBondContact ND1-N 3.14Å; H44-T46 PolarHBondContact ND1-OG1 3.05Å; H44-T46 PolarHBondContact O-N 3.34Å; T46-C48 VanDerWaalsContact C-N 3.28Å; T46-R547 HydrophobicContact CG2-CG 4.08Å
47	V	95.9	Very high	94.8	Very high	81 Å²	81	61.2 Å²	61.2	49%	0.491	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-76.3	-21.5	175.9	-172.9	0	0	0	0	111.2	P43 H44 I45 W180	P43-V47 HydrophobicContact CB-CB 4.1Å; P43-V47 HydrophobicContact CB-CG1 4.39Å; P43-V47 HydrophobicContact CB-CG2 4.33Å; H44-V47 WeakPolarHBondContact O-CB 3.41Å; H44-V47 WeakPolarHBondContact O-CG2 3.18Å; H44-V47 PolarHBondContact O-N 3.01Å; I45-V47 PolarHBondContact O-N 3.17Å; I45-V47 VanDerWaalsContact O-N 3.14Å; V47-W180 HydrophobicContact CG1-CZ2 4.14Å
48	C	95.3	Very high	95	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-8.1	-174.9	-51.3	0	0	0	0	113.4	P43 I45 T46 G50 L51 L176	P43-C48 WeakPolarHBondContact CG-SG 3.47Å; I45-C48 HydrophobicContact CD1-CB 4.26Å; I45-C48 WeakPolarHBondContact O-CA 3.37Å; I45-C48 PolarHBondContact O-N 3.41Å; T46-C48 VanDerWaalsContact C-N 3.28Å; C48-G50 VanDerWaalsContact C-N 3.27Å; C48-G50 PolarHBondContact O-N 3.21Å; C48-L51 HydrophobicContact CB-CD1 4.19Å; C48-L51 VanDerWaalsContact O-CB 3.29Å; C48-L51 WeakPolarHBondContact O-CB 3.4Å; C48-L51 PolarHBondContact O-N 2.8Å; C48-L176 HydrophobicContact CB-CB 4.03Å
49	E	85.7	Confident	95.1	Very high	79 Å²	79	58.3 Å²	58.3	37%	0.369	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-41.4	-173	-76	177	-176.6	0	0	112.2	I45 L51 R547	I45-E49 PolarHBondContact O-N 3.45Å; E49-L51 VanDerWaalsContact C-N 3.28Å; E49-L51 PolarHBondContact O-N 3.49Å; E49-R547 IonicContact OE1-CZ 2.71Å; E49-R547 IonicContact OE1-NE 3.33Å; E49-R547 PolarHBondContact OE1-NE 3.19Å; E49-R547 IonicContact OE1-NH2 3.48Å; E49-R547 PolarHBondContact OE1-NH2 2.94Å; E49-R547 IonicContact OE2-CZ 2.87Å; E49-R547 IonicContact OE2-NE 2.78Å; E49-R547 IonicContact OE2-NH2 3.38Å; E49-R547 PolarHBondContact OE2-NH2 2.9Å
50	G	92.1	Very high	95.2	Very high	44 Å²	44	58 Å²	58	45%	0.454	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.1	178.6	0	0	0	0	0	115	C48 R52 E53	C48-G50 VanDerWaalsContact C-N 3.27Å; C48-G50 PolarHBondContact O-N 3.21Å; G50-R52 PolarHBondContact O-N 3.03Å; G50-E53 PolarHBondContact O-N 3.24Å
51	L	95.4	Very high	95.2	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-67.1	-23.5	-178.9	-65.3	-179.6	0	0	0	112.7	C48 E49 E53 T54 L55 L176 W180 M183	C48-L51 HydrophobicContact CB-CD1 4.19Å; C48-L51 VanDerWaalsContact O-CB 3.29Å; C48-L51 WeakPolarHBondContact O-CB 3.4Å; C48-L51 PolarHBondContact O-N 2.8Å; E49-L51 VanDerWaalsContact C-N 3.28Å; E49-L51 PolarHBondContact O-N 3.49Å; L51-E53 PolarHBondContact O-N 3.16Å; L51-T54 PolarHBondContact O-N 3.36Å; L51-T54 PolarHBondContact O-OG1 3.4Å; L51-L55 HydrophobicContact CB-CD1 3.9Å; L51-L55 HydrophobicContact CB-CG 4.35Å; L51-L55 WeakPolarHBondContact O-CB 3.36Å; L51-L55 VanDerWaalsContact O-CG 3.28Å; L51-L55 WeakPolarHBondContact O-CG 3.48Å; L51-L55 PolarHBondContact O-N 3.46Å; L51-L55 VanDerWaalsContact O-N 3.08Å; L51-L176 HydrophobicContact CB-CD2 4.23Å; L51-W180 HydrophobicContact CD1-CB 3.7Å; L51-W180 HydrophobicContact CD1-CG 4.45Å; L51-M183 HydrophobicContact CD2-CE 4.26Å; L51-M183 HydrophobicContact CD2-SD 3.84Å
52	R	93.9	Very high	95.3	Very high	111 Å²	111	52.9 Å²	52.9	42%	0.419	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-26.8	177.5	-169.7	174.7	-177.7	173.1	1.1	112.3	G50 L57 E168 L176	G50-R52 PolarHBondContact O-N 3.03Å; R52-L57 HydrophobicContact CG-CD1 3.88Å; R52-E168 IonicContact CZ-OE1 2.96Å; R52-E168 IonicContact NH1-OE1 3.39Å; R52-E168 IonicContact NH1-OE2 2.66Å; R52-E168 IonicContact NH2-OE1 3.97Å; R52-E168 PolarHBondContact NH2-OE1 2.99Å; R52-L176 HydrophobicContact CB-CD1 4.34Å
53	E	93.2	Very high	95.3	Very high	179 Å²	179	51.5 Å²	51.5	84%	0.836	28%	0.283	S	S	*	.	H	α-helix	trans	-87.3	-21.5	-178	-61.2	178	-179.5	0	0	112.8	G50 L51	G50-E53 PolarHBondContact O-N 3.24Å; L51-E53 PolarHBondContact O-N 3.16Å
54	T	94.6	Very high	95.3	Very high	103 Å²	103	53.4 Å²	53.4	63%	0.632	29%	0.294	S	S	*	.	H	α-helix	trans	-106.9	-23.1	-172.6	59.9	0	0	0	0	114.1	L51	L51-T54 PolarHBondContact O-N 3.36Å; L51-T54 PolarHBondContact O-OG1 3.4Å
55	L	96.1	Very high	95.2	Very high	40 Å²	40	56.7 Å²	56.7	21%	0.209	31%	0.31	C	S	.	.	S	Bend	trans	-87.4	144.1	-177.6	-66.9	175.6	0	0	0	111.2	L51 L57 L176 K179 M183	L51-L55 HydrophobicContact CB-CD1 3.9Å; L51-L55 HydrophobicContact CB-CG 4.35Å; L51-L55 WeakPolarHBondContact O-CB 3.36Å; L51-L55 VanDerWaalsContact O-CG 3.28Å; L51-L55 WeakPolarHBondContact O-CG 3.48Å; L51-L55 PolarHBondContact O-N 3.46Å; L51-L55 VanDerWaalsContact O-N 3.08Å; L55-L57 HydrophobicContact CB-CD2 4.03Å; L55-L57 HydrophobicContact CB-CG 4.35Å; L55-L57 PolarHBondContact O-N 2.81Å; L55-L176 HydrophobicContact CD1-CD2 3.95Å; L55-K179 HydrophobicContact CD1-CB 3.81Å; L55-K179 HydrophobicContact CD1-CG 3.92Å; L55-M183 HydrophobicContact CD2-SD 4.5Å
56	D	96.6	Very high	95.4	Very high	101 Å²	101	56.9 Å²	56.9	54%	0.54	31%	0.31	S	S	.	.			trans	-69.8	112.1	161.7	176.3	20.5	0	0	0	109.2	G58 T61	D56-G58 PolarHBondContact OD1-N 2.91Å; D56-T61 HydrophobicContact CB-CG2 4.35Å; D56-T61 WeakPolarHBondContact OD2-CB 3.24Å; D56-T61 WeakPolarHBondContact OD2-CG2 3.49Å; D56-T61 PolarHBondContact OD2-OG1 3.34Å
57	L	97.1	Very high	95.6	Very high	30 Å²	30	55.8 Å²	55.8	16%	0.157	30%	0.304	C	S	.	.			trans	-107	34.1	176.5	-57.9	-179.2	0	0	0	111	R52 L55 V62 Y163 L167 L172 F175 L176	R52-L57 HydrophobicContact CG-CD1 3.88Å; L55-L57 HydrophobicContact CB-CD2 4.03Å; L55-L57 HydrophobicContact CB-CG 4.35Å; L55-L57 PolarHBondContact O-N 2.81Å; L57-V62 HydrophobicContact CB-CG2 4.48Å; L57-V62 HydrophobicContact CD2-CG2 4.15Å; L57-Y163 PolarHBondContact O-OH 3.36Å; L57-L167 HydrophobicContact CB-CD2 4.4Å; L57-L172 HydrophobicContact CD1-CD2 4.4Å; L57-L172 HydrophobicContact CD2-CD1 4.39Å; L57-F175 HydrophobicContact CD2-CE1 4.09Å; L57-L176 HydrophobicContact CD2-CD2 4.5Å
58	G	97.8	Very high	95.7	Very high	26 Å²	26	52 Å²	52	27%	0.268	28%	0.281	S	S	.	.			trans	-65.5	148.2	168.8	0	0	0	0	0	112.6	D56 N60 T61 V62 Y163	D56-G58 PolarHBondContact OD1-N 2.91Å; G58-N60 PolarHBondContact O-N 3.05Å; G58-T61 PolarHBondContact O-N 2.84Å; G58-V62 WeakPolarHBondContact O-CG2 3.44Å; G58-V62 PolarHBondContact O-N 3.5Å; G58-Y163 PolarHBondContact O-OH 2.84Å
59	F	97.9	Very high	95.9	Very high	18 Å²	18	52 Å²	52	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-55.6	-49.5	-178.2	173.2	-99.6	0	0	0	112.7	T61 V62 C63 V64 F73 M155 L158 K159 Y163	F59-T61 PolarHBondContact O-N 2.96Å; F59-V62 PolarHBondContact O-N 2.93Å; F59-C63 HydrophobicContact CD2-CB 3.91Å; F59-C63 HydrophobicContact CE2-CB 3.8Å; F59-C63 HydrophobicContact CZ-CB 4.33Å; F59-C63 WeakPolarHBondContact O-CA 3.4Å; F59-C63 VanDerWaalsContact O-CB 3.3Å; F59-C63 WeakPolarHBondContact O-CB 3.39Å; F59-C63 PolarHBondContact O-N 2.93Å; F59-V64 HydrophobicContact CD1-CG2 4.32Å; F59-V64 HydrophobicContact CE1-CG2 3.83Å; F59-V64 HydrophobicContact CZ-CG2 4.36Å; F59-F73 HydrophobicContact CE2-CD1 4.38Å; F59-F73 AromaticContact CE2-CE1 3.6Å; F59-F73 HydrophobicContact CE2-CE1 3.6Å; F59-F73 AromaticContact CE2-CZ 3.85Å; F59-F73 HydrophobicContact CE2-CZ 3.85Å; F59-F73 HydrophobicContact CZ-CE1 4.26Å; F59-M155 HydrophobicContact CE1-SD 4.19Å; F59-M155 HydrophobicContact CZ-SD 4.21Å; F59-L158 HydrophobicContact CE2-CB 4.09Å; F59-L158 HydrophobicContact CZ-CB 3.91Å; F59-K159 HydrophobicContact CB-CB 4.08Å; F59-K159 HydrophobicContact CD1-CB 3.51Å; F59-K159 HydrophobicContact CD2-CB 3.94Å; F59-K159 HydrophobicContact CE1-CB 3.85Å; F59-K159 HydrophobicContact CE2-CB 4.22Å; F59-K159 HydrophobicContact CG-CB 3.56Å; F59-K159 HydrophobicContact CZ-CB 4.18Å; F59-Y163 HydrophobicContact CB-CD1 3.95Å; F59-Y163 HydrophobicContact CB-CE1 3.95Å; F59-Y163 HydrophobicContact CB-CG 4.26Å; F59-Y163 HydrophobicContact CD2-CD1 4.31Å; F59-Y163 AromaticContact CD2-CD2 3.68Å; F59-Y163 HydrophobicContact CD2-CD2 3.68Å; F59-Y163 HydrophobicContact CD2-CE2 4.21Å; F59-Y163 AromaticContact CD2-CG 3.75Å; F59-Y163 HydrophobicContact CD2-CG 3.75Å; F59-Y163 HydrophobicContact CE2-CD2 4.49Å; F59-Y163 HydrophobicContact CG-CG 4.48Å
60	N	96.6	Very high	96.5	Very high	98 Å²	98	50.3 Å²	50.3	52%	0.524	27%	0.272	S	S	.	.	I	π-helix	trans	-62.1	-47.5	180	-72.2	-19.6	0	0	0	111.1	G58 V62 V64 E65	G58-N60 PolarHBondContact O-N 3.05Å; N60-V62 VanDerWaalsContact C-N 3.34Å; N60-V62 PolarHBondContact O-N 3.34Å; N60-V64 WeakPolarHBondContact O-CB 3.49Å; N60-V64 PolarHBondContact O-N 3.2Å; N60-V64 VanDerWaalsContact O-N 3.15Å; N60-E65 PolarHBondContact O-N 2.86Å
61	T	96.5	Very high	96.8	Very high	34 Å²	34	54.1 Å²	54.1	21%	0.209	27%	0.273	C	S	.	.	I	π-helix	trans	-57.9	-43.4	179.4	-51.3	0	0	0	0	112.3	D56 G58 F59 Q66	D56-T61 HydrophobicContact CB-CG2 4.35Å; D56-T61 WeakPolarHBondContact OD2-CB 3.24Å; D56-T61 WeakPolarHBondContact OD2-CG2 3.49Å; D56-T61 PolarHBondContact OD2-OG1 3.34Å; G58-T61 PolarHBondContact O-N 2.84Å; F59-T61 PolarHBondContact O-N 2.96Å; T61-Q66 WeakPolarHBondContact O-CB 3.2Å; T61-Q66 VanDerWaalsContact O-CG 3.23Å; T61-Q66 WeakPolarHBondContact O-CG 3.46Å; T61-Q66 PolarHBondContact O-N 3.27Å; T61-Q66 PolarHBondContact O-NE2 2.8Å
62	V	97.9	Very high	96.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-88.6	-49.9	-174.7	178.2	0	0	0	0	112.2	L57 G58 F59 N60 G69 K70 F166 F175	L57-V62 HydrophobicContact CB-CG2 4.48Å; L57-V62 HydrophobicContact CD2-CG2 4.15Å; G58-V62 WeakPolarHBondContact O-CG2 3.44Å; G58-V62 PolarHBondContact O-N 3.5Å; F59-V62 PolarHBondContact O-N 2.93Å; N60-V62 VanDerWaalsContact C-N 3.34Å; N60-V62 PolarHBondContact O-N 3.34Å; V62-G69 CarbonylContact O-C 3.57Å; V62-G69 WeakPolarHBondContact O-CA 3.31Å; V62-K70 PolarHBondContact O-N 2.97Å; V62-K70 VanDerWaalsContact O-N 3.14Å; V62-F166 HydrophobicContact CG1-CE1 4.03Å; V62-F166 HydrophobicContact CG1-CZ 4.46Å; V62-F175 HydrophobicContact CB-CZ 4.5Å; V62-F175 HydrophobicContact CG1-CD1 4.23Å; V62-F175 HydrophobicContact CG1-CE1 3.93Å; V62-F175 HydrophobicContact CG1-CE2 4.27Å; V62-F175 HydrophobicContact CG1-CZ 3.94Å; V62-F175 HydrophobicContact CG2-CE1 4Å; V62-F175 HydrophobicContact CG2-CZ 4.2Å
63	C	97.9	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-97.2	-15	-165.5	-62.6	0	0	0	0	114.2	F59 K70 F73 W90 Y163	F59-C63 HydrophobicContact CD2-CB 3.91Å; F59-C63 HydrophobicContact CE2-CB 3.8Å; F59-C63 HydrophobicContact CZ-CB 4.33Å; F59-C63 WeakPolarHBondContact O-CA 3.4Å; F59-C63 VanDerWaalsContact O-CB 3.3Å; F59-C63 WeakPolarHBondContact O-CB 3.39Å; F59-C63 PolarHBondContact O-N 2.93Å; C63-K70 VanDerWaalsContact O-CA 3.31Å; C63-K70 WeakPolarHBondContact O-CA 3.34Å; C63-K70 WeakPolarHBondContact O-CB 3.07Å; C63-K70 WeakPolarHBondContact O-CG 3.43Å; C63-F73 HydrophobicContact CB-CB 4.18Å; C63-F73 HydrophobicContact CB-CD1 3.66Å; C63-F73 HydrophobicContact CB-CE1 4.22Å; C63-F73 HydrophobicContact CB-CG 3.99Å; C63-F73 WeakPolarHBondContact SG-CG 3Å; C63-W90 WeakPolarHBondContact O-CH2 3.32Å; C63-Y163 WeakPolarHBondContact SG-CE2 3.17Å
64	V	94.8	Very high	97.3	Very high	58 Å²	58	40 Å²	40	35%	0.352	21%	0.212	S	C	.	.	I	π-helix	trans	-112.8	-54.3	-177.8	-176.4	0	0	0	0	110.6	F59 N60 M155	F59-V64 HydrophobicContact CD1-CG2 4.32Å; F59-V64 HydrophobicContact CE1-CG2 3.83Å; F59-V64 HydrophobicContact CZ-CG2 4.36Å; N60-V64 WeakPolarHBondContact O-CB 3.49Å; N60-V64 PolarHBondContact O-N 3.2Å; N60-V64 VanDerWaalsContact O-N 3.15Å; V64-M155 HydrophobicContact CG2-SD 4.39Å
65	E	95.7	Very high	97.4	Very high	110 Å²	110	37.2 Å²	37.2	51%	0.514	19%	0.191	S	C	.	.	I	π-helix	trans	-81.9	-40.8	-172.6	-64.3	-179.5	171.3	0	0	113.3	N60 P67 I517	N60-E65 PolarHBondContact O-N 2.86Å; E65-P67 VanDerWaalsContact O-CD 3.31Å; E65-P67 WeakPolarHBondContact O-CD 2.97Å; E65-I517 HydrophobicContact CB-CD1 4.37Å
66	Q	98.2	Very high	97.4	Very high	14 Å²	14	36 Å²	36	7%	0.065	19%	0.185	C	C	.	.	S	Bend	trans	-85.3	114.8	-177.4	-81.5	-177.8	89.6	0	0	111.6	T61 I68 G69 K70	T61-Q66 WeakPolarHBondContact O-CB 3.2Å; T61-Q66 VanDerWaalsContact O-CG 3.23Å; T61-Q66 WeakPolarHBondContact O-CG 3.46Å; T61-Q66 PolarHBondContact O-N 3.27Å; T61-Q66 PolarHBondContact O-NE2 2.8Å; Q66-I68 PolarHBondContact O-N 3.44Å; Q66-G69 PolarHBondContact O-N 2.99Å; Q66-G69 VanDerWaalsContact O-N 3.09Å; Q66-K70 PolarHBondContact O-N 3.04Å
67	P	98.3	Very high	97.4	Very high	25 Å²	25	31.2 Å²	31.2	16%	0.162	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-41.5	-172.7	-27.4	34.9	0	0	0	114.9	E65 R71 I517 Q520 E521 L524	E65-P67 VanDerWaalsContact O-CD 3.31Å; E65-P67 WeakPolarHBondContact O-CD 2.97Å; P67-R71 WeakPolarHBondContact O-CB 3.42Å; P67-R71 PolarHBondContact O-N 3.24Å; P67-I517 HydrophobicContact CG-CG2 4.12Å; P67-Q520 HydrophobicContact CB-CB 4.2Å; P67-Q520 HydrophobicContact CG-CB 4.17Å; P67-E521 HydrophobicContact CG-CG 3.77Å; P67-L524 HydrophobicContact CB-CD1 3.44Å; P67-L524 VanDerWaalsContact CB-CD1 3.44Å
68	I	98.8	Very high	97.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.8	-38.8	178	-74.1	179.3	0	0	0	110.7	Q66 R71 L72 F175 W178 W519 Q520 M523 L524 Y529	Q66-I68 PolarHBondContact O-N 3.44Å; I68-R71 PolarHBondContact O-N 3.21Å; I68-L72 HydrophobicContact CG2-CD1 3.79Å; I68-L72 HydrophobicContact CG2-CG 4.38Å; I68-L72 WeakPolarHBondContact O-CB 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.33Å; I68-L72 PolarHBondContact O-N 3.23Å; I68-F175 HydrophobicContact CG2-CD2 4.39Å; I68-W178 HydrophobicContact CD1-CD2 3.83Å; I68-W178 HydrophobicContact CD1-CE3 3.67Å; I68-W178 HydrophobicContact CD1-CG 4.2Å; I68-W178 HydrophobicContact CD1-CZ3 4.2Å; I68-W178 HydrophobicContact CG2-CB 4.02Å; I68-W178 HydrophobicContact CG2-CD2 4.39Å; I68-W178 HydrophobicContact CG2-CG 3.82Å; I68-W519 HydrophobicContact CD1-CZ3 4.35Å; I68-Q520 HydrophobicContact CB-CB 4.4Å; I68-Q520 HydrophobicContact CB-CG 4.16Å; I68-Q520 HydrophobicContact CD1-CB 4.07Å; I68-Q520 HydrophobicContact CD1-CG 3.87Å; I68-Q520 HydrophobicContact CG1-CB 3.92Å; I68-Q520 HydrophobicContact CG1-CG 4.02Å; I68-M523 HydrophobicContact CD1-CB 4.13Å; I68-M523 HydrophobicContact CD1-CG 4.5Å; I68-L524 HydrophobicContact CG1-CD1 4.39Å; I68-L524 HydrophobicContact CG1-CG 4.27Å; I68-Y529 HydrophobicContact CB-CE2 4.43Å; I68-Y529 HydrophobicContact CD1-CD2 3.92Å; I68-Y529 HydrophobicContact CD1-CE2 4.47Å; I68-Y529 HydrophobicContact CG1-CD2 3.86Å; I68-Y529 HydrophobicContact CG1-CE2 4.12Å; I68-Y529 HydrophobicContact CG2-CD2 4.28Å; I68-Y529 HydrophobicContact CG2-CE2 3.78Å
69	G	98.6	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-47.1	176.6	0	0	0	0	0	111.8	V62 Q66 R71 L72 F73	V62-G69 CarbonylContact O-C 3.57Å; V62-G69 WeakPolarHBondContact O-CA 3.31Å; Q66-G69 PolarHBondContact O-N 2.99Å; Q66-G69 VanDerWaalsContact O-N 3.09Å; G69-R71 VanDerWaalsContact C-N 3.32Å; G69-R71 PolarHBondContact O-N 2.69Å; G69-L72 PolarHBondContact O-N 3.2Å; G69-F73 WeakPolarHBondContact O-CB 3.25Å; G69-F73 PolarHBondContact O-N 3.38Å
70	K	98.4	Very high	96.5	Very high	44 Å²	44	35.9 Å²	35.9	19%	0.191	18%	0.184	C	C	.	.	H	α-helix	trans	-52.6	-48.3	170.4	176.8	166.8	172.6	178.3	0	111.7	V62 C63 Q66 F73 Q74 W90 E94	V62-K70 PolarHBondContact O-N 2.97Å; V62-K70 VanDerWaalsContact O-N 3.14Å; C63-K70 VanDerWaalsContact O-CA 3.31Å; C63-K70 WeakPolarHBondContact O-CA 3.34Å; C63-K70 WeakPolarHBondContact O-CB 3.07Å; C63-K70 WeakPolarHBondContact O-CG 3.43Å; Q66-K70 PolarHBondContact O-N 3.04Å; K70-F73 PolarHBondContact O-N 2.7Å; K70-Q74 VanDerWaalsContact CE-NE2 3.35Å; K70-Q74 WeakPolarHBondContact O-CG 3.08Å; K70-Q74 PolarHBondContact O-N 3.08Å; K70-W90 HydrophobicContact CD-CH2 4.03Å; K70-W90 HydrophobicContact CD-CZ2 3.83Å; K70-W90 HydrophobicContact CG-CH2 3.76Å; K70-W90 HydrophobicContact CG-CZ2 4.11Å; K70-E94 IonicContact NZ-OE1 2.59Å; K70-E94 PolarHBondContact NZ-OE1 3.19Å; K70-E94 IonicContact NZ-OE2 3.58Å; K70-E94 PolarHBondContact NZ-OE2 3.42Å
71	R	98.1	Very high	96.2	Very high	125 Å²	125	37.4 Å²	37.4	47%	0.472	19%	0.192	S	C	.	.	H	α-helix	trans	-61.7	-48.1	179.8	-175.9	61.9	177.1	-151.5	-2.9	112.3	P67 I68 G69 F73 Q74 E75 Y529	P67-R71 WeakPolarHBondContact O-CB 3.42Å; P67-R71 PolarHBondContact O-N 3.24Å; I68-R71 PolarHBondContact O-N 3.21Å; G69-R71 VanDerWaalsContact C-N 3.32Å; G69-R71 PolarHBondContact O-N 2.69Å; R71-F73 VanDerWaalsContact C-N 3.32Å; R71-F73 PolarHBondContact O-N 3.06Å; R71-Q74 PolarHBondContact O-N 3.49Å; R71-E75 IonicContact NE-OE1 2.7Å; R71-E75 PolarHBondContact NE-OE1 2.85Å; R71-E75 WeakPolarHBondContact O-CG 3.48Å; R71-E75 PolarHBondContact O-N 2.99Å; R71-Y529 HydrophobicContact CG-CE1 3.76Å; R71-Y529 WeakPolarHBondContact CG-OH 3.48Å
72	L	98.4	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-36.5	178.6	-73.7	168.9	0	0	0	112.1	I68 G69 E75 F76 F166 Y171 R174 F175 Y529 W535	I68-L72 HydrophobicContact CG2-CD1 3.79Å; I68-L72 HydrophobicContact CG2-CG 4.38Å; I68-L72 WeakPolarHBondContact O-CB 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.33Å; I68-L72 PolarHBondContact O-N 3.23Å; G69-L72 PolarHBondContact O-N 3.2Å; L72-E75 PolarHBondContact O-N 2.9Å; L72-F76 WeakPolarHBondContact O-CB 3.3Å; L72-F76 PolarHBondContact O-N 3.31Å; L72-F166 HydrophobicContact CB-CE2 4.4Å; L72-Y171 HydrophobicContact CD2-CD1 4.39Å; L72-R174 HydrophobicContact CD1-CB 4.44Å; L72-R174 HydrophobicContact CD1-CG 4.16Å; L72-R174 HydrophobicContact CD2-CB 4.31Å; L72-R174 HydrophobicContact CD2-CG 3.78Å; L72-F175 HydrophobicContact CD1-CB 3.7Å; L72-F175 HydrophobicContact CD1-CD2 4.33Å; L72-Y529 VanDerWaalsContact CD2-OH 3.3Å; L72-Y529 WeakPolarHBondContact CD2-OH 3.28Å; L72-Y529 WeakPolarHBondContact CG-OH 3.39Å; L72-W535 HydrophobicContact CD2-CZ2 4.07Å
73	F	98.4	Very high	95.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-44.2	174.6	-175.8	-123.4	0	0	0	111.4	F59 C63 G69 K70 R71 E75 F76 L77 W90 L158 P162 Y163 F166	F59-F73 HydrophobicContact CE2-CD1 4.38Å; F59-F73 AromaticContact CE2-CE1 3.6Å; F59-F73 HydrophobicContact CE2-CE1 3.6Å; F59-F73 AromaticContact CE2-CZ 3.85Å; F59-F73 HydrophobicContact CE2-CZ 3.85Å; F59-F73 HydrophobicContact CZ-CE1 4.26Å; C63-F73 HydrophobicContact CB-CB 4.18Å; C63-F73 HydrophobicContact CB-CD1 3.66Å; C63-F73 HydrophobicContact CB-CE1 4.22Å; C63-F73 HydrophobicContact CB-CG 3.99Å; C63-F73 WeakPolarHBondContact SG-CG 3Å; G69-F73 WeakPolarHBondContact O-CB 3.25Å; G69-F73 PolarHBondContact O-N 3.38Å; K70-F73 PolarHBondContact O-N 2.7Å; R71-F73 VanDerWaalsContact C-N 3.32Å; R71-F73 PolarHBondContact O-N 3.06Å; F73-E75 VanDerWaalsContact C-N 3.33Å; F73-E75 PolarHBondContact O-N 3.41Å; F73-F76 AromaticContact CD2-CD1 3.97Å; F73-F76 HydrophobicContact CD2-CD1 3.97Å; F73-F76 AromaticContact CE2-CD1 3.99Å; F73-F76 HydrophobicContact CE2-CD1 3.99Å; F73-F76 HydrophobicContact CE2-CE1 4.26Å; F73-F76 WeakPolarHBondContact O-CB 3.45Å; F73-F76 PolarHBondContact O-N 3.07Å; F73-L77 HydrophobicContact CD1-CD1 3.93Å; F73-L77 HydrophobicContact CD1-CG 4.47Å; F73-L77 HydrophobicContact CD2-CG 4.44Å; F73-L77 HydrophobicContact CE1-CD1 3.64Å; F73-L77 HydrophobicContact CE1-CD2 4.4Å; F73-L77 HydrophobicContact CE1-CG 4.24Å; F73-L77 HydrophobicContact CE2-CD1 4.48Å; F73-L77 HydrophobicContact CE2-CD2 3.97Å; F73-L77 HydrophobicContact CE2-CG 4.2Å; F73-L77 HydrophobicContact CG-CD1 4.48Å; F73-L77 HydrophobicContact CZ-CD1 3.95Å; F73-L77 HydrophobicContact CZ-CD2 3.83Å; F73-L77 HydrophobicContact CZ-CG 4.1Å; F73-L77 VanDerWaalsContact O-CG 3.3Å; F73-L77 WeakPolarHBondContact O-CG 3.08Å; F73-L77 PolarHBondContact O-N 3.37Å; F73-W90 HydrophobicContact CD1-CZ3 4.1Å; F73-W90 HydrophobicContact CE1-CZ3 4.46Å; F73-L158 HydrophobicContact CE1-CB 4.18Å; F73-L158 HydrophobicContact CE1-CD1 4.31Å; F73-L158 HydrophobicContact CE1-CD2 4.43Å; F73-L158 HydrophobicContact CZ-CB 4.22Å; F73-L158 HydrophobicContact CZ-CD2 4.34Å; F73-P162 HydrophobicContact CZ-CB 4.48Å; F73-Y163 HydrophobicContact CE2-CD2 4.28Å; F73-F166 HydrophobicContact CB-CD2 4.37Å; F73-F166 HydrophobicContact CB-CE2 4.1Å; F73-F166 HydrophobicContact CB-CZ 4.4Å; F73-F166 HydrophobicContact CD2-CB 3.81Å; F73-F166 HydrophobicContact CD2-CD1 4.22Å; F73-F166 AromaticContact CD2-CD2 3.66Å; F73-F166 HydrophobicContact CD2-CD2 3.66Å; F73-F166 HydrophobicContact CD2-CE2 4.23Å; F73-F166 AromaticContact CD2-CG 3.63Å; F73-F166 HydrophobicContact CD2-CG 3.63Å; F73-F166 HydrophobicContact CE2-CB 3.86Å; F73-F166 HydrophobicContact CE2-CG 4.18Å
74	Q	97.2	Very high	95.5	Very high	15 Å²	15	45.2 Å²	45.2	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-38.8	174.5	-72.6	-179.1	-9.9	0	0	112.6	K70 R71 L77 D78 W90	K70-Q74 VanDerWaalsContact CE-NE2 3.35Å; K70-Q74 WeakPolarHBondContact O-CG 3.08Å; K70-Q74 PolarHBondContact O-N 3.08Å; R71-Q74 PolarHBondContact O-N 3.49Å; Q74-L77 PolarHBondContact O-N 3.02Å; Q74-D78 WeakPolarHBondContact O-CB 3.34Å; Q74-D78 PolarHBondContact O-N 3.32Å; Q74-W90 HydrophobicContact CG-CE3 4Å; Q74-W90 HydrophobicContact CG-CH2 4.2Å; Q74-W90 HydrophobicContact CG-CZ3 3.56Å
75	E	95.4	Very high	95.6	Very high	44 Å²	44	42.7 Å²	42.7	21%	0.206	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-43.3	173.2	-74.1	177.2	-163.2	0	0	111.7	R71 L72 F73 D78 S79 Y171 N533 W535	R71-E75 IonicContact NE-OE1 2.7Å; R71-E75 PolarHBondContact NE-OE1 2.85Å; R71-E75 WeakPolarHBondContact O-CG 3.48Å; R71-E75 PolarHBondContact O-N 2.99Å; L72-E75 PolarHBondContact O-N 2.9Å; F73-E75 VanDerWaalsContact C-N 3.33Å; F73-E75 PolarHBondContact O-N 3.41Å; E75-D78 PolarHBondContact O-N 3.06Å; E75-S79 WeakPolarHBondContact O-CB 3.42Å; E75-S79 PolarHBondContact O-N 2.6Å; E75-Y171 HydrophobicContact CB-CD1 4.21Å; E75-Y171 HydrophobicContact CB-CE1 3.83Å; E75-N533 PolarHBondContact OE2-ND2 3.46Å; E75-W535 PolarHBondContact OE2-NE1 3.4Å
76	F	96.8	Very high	95.6	Very high	15 Å²	15	37.7 Å²	37.7	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-56.9	-51.5	172.7	162.8	-102.5	0	0	0	111.7	L72 F73 D78 S79 N80 Y83 P162 F165 F166 Y171	L72-F76 WeakPolarHBondContact O-CB 3.3Å; L72-F76 PolarHBondContact O-N 3.31Å; F73-F76 AromaticContact CD2-CD1 3.97Å; F73-F76 HydrophobicContact CD2-CD1 3.97Å; F73-F76 AromaticContact CE2-CD1 3.99Å; F73-F76 HydrophobicContact CE2-CD1 3.99Å; F73-F76 HydrophobicContact CE2-CE1 4.26Å; F73-F76 WeakPolarHBondContact O-CB 3.45Å; F73-F76 PolarHBondContact O-N 3.07Å; F76-D78 PolarHBondContact O-N 2.93Å; F76-S79 PolarHBondContact O-N 3.3Å; F76-S79 VanDerWaalsContact O-N 3.16Å; F76-S79 PolarHBondContact O-OG 3.15Å; F76-N80 PolarHBondContact O-N 2.78Å; F76-Y83 HydrophobicContact CE1-CD2 4.03Å; F76-Y83 HydrophobicContact CE1-CE2 4.14Å; F76-Y83 HydrophobicContact CZ-CD2 4.19Å; F76-Y83 AromaticContact CZ-CE2 3.97Å; F76-Y83 HydrophobicContact CZ-CE2 3.97Å; F76-P162 WeakPolarHBondContact CE1-O 3.22Å; F76-F165 HydrophobicContact CE2-CB 4.44Å; F76-F165 HydrophobicContact CZ-CB 3.75Å; F76-F166 HydrophobicContact CB-CD2 3.88Å; F76-F166 HydrophobicContact CB-CE2 4.46Å; F76-F166 HydrophobicContact CD1-CB 3.88Å; F76-F166 HydrophobicContact CD1-CD2 4.07Å; F76-F166 HydrophobicContact CD1-CG 4.46Å; F76-F166 HydrophobicContact CE1-CB 3.87Å; F76-F166 HydrophobicContact CG-CB 4.35Å; F76-F166 AromaticContact CG-CD2 3.94Å; F76-F166 HydrophobicContact CG-CD2 3.94Å; F76-F166 HydrophobicContact CZ-CB 4.33Å; F76-Y171 HydrophobicContact CB-CD1 4.3Å; F76-Y171 HydrophobicContact CB-CD2 3.57Å; F76-Y171 HydrophobicContact CB-CE2 3.88Å; F76-Y171 HydrophobicContact CB-CG 3.79Å; F76-Y171 AromaticContact CD2-CD2 3.77Å; F76-Y171 HydrophobicContact CD2-CD2 3.77Å; F76-Y171 AromaticContact CD2-CE2 3.97Å; F76-Y171 HydrophobicContact CD2-CE2 3.97Å; F76-Y171 HydrophobicContact CG-CD2 4.14Å; F76-Y171 HydrophobicContact CG-CE2 4.45Å
77	L	96.8	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-42	-179.1	-61.3	170.8	0	0	0	111.7	F73 Q74 S79 N80 Y83 C87 L158 P162	F73-L77 HydrophobicContact CD1-CD1 3.93Å; F73-L77 HydrophobicContact CD1-CG 4.47Å; F73-L77 HydrophobicContact CD2-CG 4.44Å; F73-L77 HydrophobicContact CE1-CD1 3.64Å; F73-L77 HydrophobicContact CE1-CD2 4.4Å; F73-L77 HydrophobicContact CE1-CG 4.24Å; F73-L77 HydrophobicContact CE2-CD1 4.48Å; F73-L77 HydrophobicContact CE2-CD2 3.97Å; F73-L77 HydrophobicContact CE2-CG 4.2Å; F73-L77 HydrophobicContact CG-CD1 4.48Å; F73-L77 HydrophobicContact CZ-CD1 3.95Å; F73-L77 HydrophobicContact CZ-CD2 3.83Å; F73-L77 HydrophobicContact CZ-CG 4.1Å; F73-L77 VanDerWaalsContact O-CG 3.3Å; F73-L77 WeakPolarHBondContact O-CG 3.08Å; F73-L77 PolarHBondContact O-N 3.37Å; Q74-L77 PolarHBondContact O-N 3.02Å; L77-S79 PolarHBondContact O-N 3.28Å; L77-N80 PolarHBondContact O-N 3.14Å; L77-N80 VanDerWaalsContact O-N 3.17Å; L77-Y83 HydrophobicContact CD2-CD2 3.96Å; L77-Y83 HydrophobicContact CD2-CG 3.97Å; L77-Y83 CarbonylContact O-C 3.45Å; L77-C87 HydrophobicContact CB-CB 3.66Å; L77-C87 HydrophobicContact CD1-CB 4Å; L77-L158 HydrophobicContact CD1-CD1 4.23Å; L77-L158 HydrophobicContact CD1-CD2 3.67Å; L77-L158 HydrophobicContact CD2-CD2 3.77Å; L77-L158 HydrophobicContact CG-CD2 4.39Å; L77-P162 HydrophobicContact CD2-CB 3.92Å
78	D	91.8	Very high	95.4	Very high	48 Å²	48	39.9 Å²	39.9	26%	0.257	19%	0.192	S	C	.	.	H	α-helix	trans	-67.3	-24.4	177.8	-88.2	-32.9	0	0	0	112.9	Q74 E75 F76 N80 K84 K91	Q74-D78 WeakPolarHBondContact O-CB 3.34Å; Q74-D78 PolarHBondContact O-N 3.32Å; E75-D78 PolarHBondContact O-N 3.06Å; F76-D78 PolarHBondContact O-N 2.93Å; D78-N80 VanDerWaalsContact C-N 3.33Å; D78-K84 WeakPolarHBondContact O-CE 3.31Å; D78-K91 IonicContact OD2-NZ 3.23Å; D78-K91 PolarHBondContact OD2-NZ 2.98Å
79	S	91.6	Very high	95.4	Very high	69 Å²	69	39.9 Å²	39.9	48%	0.483	19%	0.192	S	C	.	.	H	α-helix	trans	-76.4	-19.3	174.9	77	0	0	0	0	113.5	E75 F76 L77 Y171	E75-S79 WeakPolarHBondContact O-CB 3.42Å; E75-S79 PolarHBondContact O-N 2.6Å; F76-S79 PolarHBondContact O-N 3.3Å; F76-S79 VanDerWaalsContact O-N 3.16Å; F76-S79 PolarHBondContact O-OG 3.15Å; L77-S79 PolarHBondContact O-N 3.28Å; S79-Y171 VanDerWaalsContact CB-OH 3.3Å; S79-Y171 WeakPolarHBondContact CB-OH 3.19Å; S79-Y171 PolarHBondContact OG-OH 2.91Å
80	N	90.8	Very high	95.3	Very high	55 Å²	55	39.9 Å²	39.9	29%	0.294	19%	0.192	S	C	.	.	S	Bend	trans	-103.4	122	179.7	-170.8	-27.2	0	0	0	111.3	F76 L77 D78 E82 Y83 K84	F76-N80 PolarHBondContact O-N 2.78Å; L77-N80 PolarHBondContact O-N 3.14Å; L77-N80 VanDerWaalsContact O-N 3.17Å; D78-N80 VanDerWaalsContact C-N 3.33Å; N80-E82 PolarHBondContact O-N 3.16Å; N80-E82 VanDerWaalsContact O-N 3.17Å; N80-E82 WeakPolarHBondContact OD1-CB 3.45Å; N80-E82 PolarHBondContact OD1-N 2.82Å; N80-Y83 HydrophobicContact CB-CD2 3.68Å; N80-Y83 HydrophobicContact CB-CE2 4.3Å; N80-Y83 HydrophobicContact CB-CG 4.26Å; N80-Y83 WeakPolarHBondContact ND2-CD2 3.48Å; N80-Y83 WeakPolarHBondContact ND2-CE2 3.3Å; N80-Y83 PolarHBondContact O-N 3.18Å; N80-K84 WeakPolarHBondContact O-CG 3.46Å; N80-K84 PolarHBondContact O-N 2.99Å; N80-K84 VanDerWaalsContact O-N 3.14Å
81	N	89.1	Confident	95.2	Very high	129 Å²	129	40.4 Å²	40.4	69%	0.69	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.4	-178.9	-75.6	-26.2	0	0	0	113.9	Y83 K84	N81-Y83 VanDerWaalsContact C-N 3.34Å; N81-K84 WeakPolarHBondContact OD1-CE 3.28Å; N81-K84 PolarHBondContact OD1-NZ 3.05Å
82	E	90.6	Very high	95.2	Very high	139 Å²	139	35.6 Å²	35.6	65%	0.65	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.1	179.1	-168.3	176.7	175.8	0	0	112.2	N80	N80-E82 PolarHBondContact O-N 3.16Å; N80-E82 VanDerWaalsContact O-N 3.17Å; N80-E82 WeakPolarHBondContact OD1-CB 3.45Å; N80-E82 PolarHBondContact OD1-N 2.82Å
83	Y	94.8	Very high	95.1	Very high	6 Å²	6	35.6 Å²	35.6	2%	0.024	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-5.1	-173.2	-52.3	-32	0	0	0	114.2	F76 L77 N80 N81 G85 P86 C87 F157 P162 F165	F76-Y83 HydrophobicContact CE1-CD2 4.03Å; F76-Y83 HydrophobicContact CE1-CE2 4.14Å; F76-Y83 HydrophobicContact CZ-CD2 4.19Å; F76-Y83 AromaticContact CZ-CE2 3.97Å; F76-Y83 HydrophobicContact CZ-CE2 3.97Å; L77-Y83 HydrophobicContact CD2-CD2 3.96Å; L77-Y83 HydrophobicContact CD2-CG 3.97Å; L77-Y83 CarbonylContact O-C 3.45Å; N80-Y83 HydrophobicContact CB-CD2 3.68Å; N80-Y83 HydrophobicContact CB-CE2 4.3Å; N80-Y83 HydrophobicContact CB-CG 4.26Å; N80-Y83 WeakPolarHBondContact ND2-CD2 3.48Å; N80-Y83 WeakPolarHBondContact ND2-CE2 3.3Å; N80-Y83 PolarHBondContact O-N 3.18Å; N81-Y83 VanDerWaalsContact C-N 3.34Å; Y83-G85 VanDerWaalsContact C-N 3.3Å; Y83-G85 PolarHBondContact O-N 3.37Å; Y83-P86 WeakPolarHBondContact O-CD 3.4Å; Y83-C87 WeakPolarHBondContact O-CB 3.48Å; Y83-C87 PolarHBondContact O-N 2.91Å; Y83-F157 HydrophobicContact CD1-CE1 4.43Å; Y83-F157 HydrophobicContact CD1-CZ 4.47Å; Y83-P162 HydrophobicContact CD1-CB 4.45Å; Y83-P162 HydrophobicContact CD1-CG 4.13Å; Y83-P162 HydrophobicContact CD2-CB 4.33Å; Y83-P162 HydrophobicContact CE1-CB 4.35Å; Y83-P162 HydrophobicContact CE1-CG 3.95Å; Y83-P162 HydrophobicContact CE2-CB 4.2Å; Y83-P162 HydrophobicContact CG-CB 4.47Å; Y83-F165 WeakPolarHBondContact OH-CD2 3.47Å
84	K	93.9	Very high	94.8	Very high	53 Å²	53	38.8 Å²	38.8	23%	0.23	19%	0.194	C	C	.	.	H	α-helix	trans	-56.7	-40.2	175.8	-83.4	176	-174.4	170.1	0	113.2	D78 N80 N81 R88	D78-K84 WeakPolarHBondContact O-CE 3.31Å; N80-K84 WeakPolarHBondContact O-CG 3.46Å; N80-K84 PolarHBondContact O-N 2.99Å; N80-K84 VanDerWaalsContact O-N 3.14Å; N81-K84 WeakPolarHBondContact OD1-CE 3.28Å; N81-K84 PolarHBondContact OD1-NZ 3.05Å; K84-R88 WeakPolarHBondContact O-CB 3.3Å; K84-R88 WeakPolarHBondContact O-CD 3.42Å; K84-R88 WeakPolarHBondContact O-CG 3.37Å; K84-R88 PolarHBondContact O-N 3.42Å; K84-R88 VanDerWaalsContact O-N 3.11Å
85	G	95.8	Very high	94.7	Very high	6 Å²	6	43 Å²	43	6%	0.062	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-61.7	178	0	0	0	0	0	112.3	Y83 C87 R88 L89 C124	Y83-G85 VanDerWaalsContact C-N 3.3Å; Y83-G85 PolarHBondContact O-N 3.37Å; G85-C87 VanDerWaalsContact C-N 3.31Å; G85-C87 PolarHBondContact O-N 3.02Å; G85-R88 PolarHBondContact O-N 3Å; G85-R88 VanDerWaalsContact O-N 3.16Å; G85-L89 WeakPolarHBondContact O-CB 3.18Å; G85-L89 PolarHBondContact O-N 2.86Å; G85-C124 VanDerWaalsContact C-SG 3.59Å
86	P	95.9	Very high	94.6	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.032	20%	0.203	C	C	.	.	H	α-helix	trans	-53.3	-43.1	176.9	-15.9	14.2	0	0	0	113.8	Y83 R88 L89 W90 F126 F157 L158	Y83-P86 WeakPolarHBondContact O-CD 3.4Å; P86-R88 PolarHBondContact O-N 3.5Å; P86-L89 PolarHBondContact O-N 2.9Å; P86-W90 WeakPolarHBondContact O-CB 3.34Å; P86-W90 PolarHBondContact O-N 2.96Å; P86-F126 HydrophobicContact CB-CE1 4.06Å; P86-F126 HydrophobicContact CB-CZ 4.09Å; P86-F126 HydrophobicContact CG-CE1 3.73Å; P86-F126 HydrophobicContact CG-CZ 4.29Å; P86-F157 HydrophobicContact CB-CD1 4.06Å; P86-F157 HydrophobicContact CB-CE1 4.09Å; P86-F157 HydrophobicContact CG-CD1 3.93Å; P86-F157 HydrophobicContact CG-CE1 3.5Å; P86-F157 HydrophobicContact CG-CZ 4.39Å; P86-L158 HydrophobicContact CB-CD2 4Å
87	C	96.8	Very high	94.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-43.3	179.2	-174.9	0	0	0	0	112.6	L77 Y83 G85 K91	L77-C87 HydrophobicContact CB-CB 3.66Å; L77-C87 HydrophobicContact CD1-CB 4Å; Y83-C87 WeakPolarHBondContact O-CB 3.48Å; Y83-C87 PolarHBondContact O-N 2.91Å; G85-C87 VanDerWaalsContact C-N 3.31Å; G85-C87 PolarHBondContact O-N 3.02Å; C87-K91 WeakPolarHBondContact O-CG 3.12Å; C87-K91 PolarHBondContact O-N 3.34Å
88	R	96.3	Very high	94	Very high	84 Å²	84	47.1 Å²	47.1	32%	0.317	24%	0.235	S	C	.	.	H	α-helix	trans	-74.3	-37.6	179.9	-70.3	173.3	-179.1	-141.1	-0.5	112.3	K84 G85 P86 W90 K91 D92 Y115 Y122	K84-R88 WeakPolarHBondContact O-CB 3.3Å; K84-R88 WeakPolarHBondContact O-CD 3.42Å; K84-R88 WeakPolarHBondContact O-CG 3.37Å; K84-R88 PolarHBondContact O-N 3.42Å; K84-R88 VanDerWaalsContact O-N 3.11Å; G85-R88 PolarHBondContact O-N 3Å; G85-R88 VanDerWaalsContact O-N 3.16Å; P86-R88 PolarHBondContact O-N 3.5Å; R88-W90 VanDerWaalsContact C-N 3.32Å; R88-W90 PolarHBondContact O-N 3.33Å; R88-K91 PolarHBondContact O-N 2.75Å; R88-D92 WeakPolarHBondContact O-CB 3.47Å; R88-D92 PolarHBondContact O-N 3.32Å; R88-Y115 HydrophobicContact CB-CE1 3.75Å; R88-Y115 WeakPolarHBondContact CB-OH 3.43Å; R88-Y122 VanDerWaalsContact NH1-CE2 3.29Å; R88-Y122 PolarHBondContact NH1-OH 3.16Å
89	L	97.4	Very high	94	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-45.7	172.7	176.8	58.5	0	0	0	110.8	G85 P86 K91 D92 I93 I111 Y115 C124 L127 T150 V154	G85-L89 WeakPolarHBondContact O-CB 3.18Å; G85-L89 PolarHBondContact O-N 2.86Å; P86-L89 PolarHBondContact O-N 2.9Å; L89-K91 PolarHBondContact O-N 2.8Å; L89-D92 PolarHBondContact O-N 3.22Å; L89-I93 HydrophobicContact CD1-CD1 3.8Å; L89-I93 HydrophobicContact CD1-CG1 4.05Å; L89-I93 HydrophobicContact CG-CD1 3.92Å; L89-I93 VanDerWaalsContact O-CG1 3.27Å; L89-I93 WeakPolarHBondContact O-CG1 3.3Å; L89-I93 PolarHBondContact O-N 3.09Å; L89-I111 HydrophobicContact CD1-CG2 3.66Å; L89-Y115 HydrophobicContact CB-CD1 4.12Å; L89-Y115 HydrophobicContact CB-CD2 4.2Å; L89-Y115 HydrophobicContact CB-CE1 4.48Å; L89-Y115 HydrophobicContact CB-CG 4.01Å; L89-Y115 HydrophobicContact CD1-CD2 3.62Å; L89-Y115 HydrophobicContact CD1-CE2 4.32Å; L89-Y115 HydrophobicContact CD1-CG 3.96Å; L89-Y115 HydrophobicContact CG-CD2 4.48Å; L89-Y115 HydrophobicContact CG-CG 4.45Å; L89-C124 HydrophobicContact CD2-CB 4.35Å; L89-L127 HydrophobicContact CD2-CD1 3.8Å; L89-L127 HydrophobicContact CD2-CD2 4.23Å; L89-L127 HydrophobicContact CD2-CG 4.45Å; L89-T150 HydrophobicContact CD1-CG2 4.48Å; L89-T150 HydrophobicContact CD2-CG2 4.17Å; L89-V154 HydrophobicContact CD2-CG2 3.59Å; L89-V154 HydrophobicContact CG-CG2 3.98Å
90	W	97.3	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.6	-52.3	174.2	177.5	16.4	0	0	0	111.8	C63 K70 F73 Q74 P86 R88 D92 I93 E94 M151 V154 M155 L158	C63-W90 WeakPolarHBondContact O-CH2 3.32Å; K70-W90 HydrophobicContact CD-CH2 4.03Å; K70-W90 HydrophobicContact CD-CZ2 3.83Å; K70-W90 HydrophobicContact CG-CH2 3.76Å; K70-W90 HydrophobicContact CG-CZ2 4.11Å; F73-W90 HydrophobicContact CD1-CZ3 4.1Å; F73-W90 HydrophobicContact CE1-CZ3 4.46Å; Q74-W90 HydrophobicContact CG-CE3 4Å; Q74-W90 HydrophobicContact CG-CH2 4.2Å; Q74-W90 HydrophobicContact CG-CZ3 3.56Å; P86-W90 WeakPolarHBondContact O-CB 3.34Å; P86-W90 PolarHBondContact O-N 2.96Å; R88-W90 VanDerWaalsContact C-N 3.32Å; R88-W90 PolarHBondContact O-N 3.33Å; W90-D92 PolarHBondContact O-N 3.39Å; W90-I93 PolarHBondContact O-N 3.47Å; W90-E94 VanDerWaalsContact NE1-CD 3.3Å; W90-E94 PolarHBondContact NE1-OE1 3.44Å; W90-E94 PolarHBondContact O-N 2.94Å; W90-M151 HydrophobicContact CG-SD 4.44Å; W90-V154 HydrophobicContact CB-CG1 4.03Å; W90-M155 HydrophobicContact CD2-CE 4.14Å; W90-M155 HydrophobicContact CG-CE 4.29Å; W90-M155 HydrophobicContact CZ2-CE 3.89Å; W90-L158 HydrophobicContact CE3-CD1 3.99Å; W90-L158 HydrophobicContact CZ3-CD1 4.43Å
91	K	96.4	Very high	93.7	Very high	55 Å²	55	46 Å²	46	24%	0.239	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-45.4	179.4	-69.6	172.1	-177.5	176.6	0	112.3	D78 C87 R88 L89 I93 E94 E95	D78-K91 IonicContact OD2-NZ 3.23Å; D78-K91 PolarHBondContact OD2-NZ 2.98Å; C87-K91 WeakPolarHBondContact O-CG 3.12Å; C87-K91 PolarHBondContact O-N 3.34Å; R88-K91 PolarHBondContact O-N 2.75Å; L89-K91 PolarHBondContact O-N 2.8Å; K91-I93 VanDerWaalsContact C-N 3.31Å; K91-I93 PolarHBondContact O-N 3.47Å; K91-E94 PolarHBondContact O-N 2.94Å; K91-E95 WeakPolarHBondContact O-CG 3.42Å; K91-E95 PolarHBondContact O-N 3.15Å
92	D	97.1	Very high	93.8	Very high	24 Å²	24	47.9 Å²	47.9	13%	0.128	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-33	-178.9	-77	8.3	0	0	0	111.6	R88 L89 W90 Y96 I111 R114 Y115	R88-D92 WeakPolarHBondContact O-CB 3.47Å; R88-D92 PolarHBondContact O-N 3.32Å; L89-D92 PolarHBondContact O-N 3.22Å; W90-D92 PolarHBondContact O-N 3.39Å; D92-Y96 WeakPolarHBondContact O-CB 3.47Å; D92-Y96 PolarHBondContact O-N 3.4Å; D92-I111 HydrophobicContact CB-CD1 4.24Å; D92-I111 HydrophobicContact CB-CG1 3.86Å; D92-R114 IonicContact OD2-NH1 3.21Å; D92-R114 PolarHBondContact OD2-NH1 3.46Å; D92-Y115 HydrophobicContact CB-CE2 4.13Å; D92-Y115 VanDerWaalsContact CG-OH 3.31Å; D92-Y115 WeakPolarHBondContact OD2-CE2 3.27Å; D92-Y115 VanDerWaalsContact OD2-CZ 3.31Å; D92-Y115 PolarHBondContact OD2-OH 2.92Å
93	I	96.5	Very high	93.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-68.9	-43.5	172.6	-65.6	166.4	0	0	0	110.9	L89 W90 K91 E95 Y96 N97 F147 T150 M151	L89-I93 HydrophobicContact CD1-CD1 3.8Å; L89-I93 HydrophobicContact CD1-CG1 4.05Å; L89-I93 HydrophobicContact CG-CD1 3.92Å; L89-I93 VanDerWaalsContact O-CG1 3.27Å; L89-I93 WeakPolarHBondContact O-CG1 3.3Å; L89-I93 PolarHBondContact O-N 3.09Å; W90-I93 PolarHBondContact O-N 3.47Å; K91-I93 VanDerWaalsContact C-N 3.31Å; K91-I93 PolarHBondContact O-N 3.47Å; I93-E95 VanDerWaalsContact C-N 3.28Å; I93-E95 PolarHBondContact O-N 3.29Å; I93-Y96 WeakPolarHBondContact O-CB 3.47Å; I93-Y96 PolarHBondContact O-N 2.9Å; I93-Y96 VanDerWaalsContact O-N 3.16Å; I93-N97 PolarHBondContact O-N 3.29Å; I93-N97 PolarHBondContact O-ND2 3.31Å; I93-F147 HydrophobicContact CD1-CB 4.27Å; I93-F147 HydrophobicContact CG1-CB 4.1Å; I93-F147 HydrophobicContact CG1-CD1 4.36Å; I93-F147 HydrophobicContact CG1-CG 4.15Å; I93-F147 HydrophobicContact CG2-CB 3.71Å; I93-F147 HydrophobicContact CG2-CG 4.4Å; I93-T150 HydrophobicContact CD1-CG2 3.73Å; I93-M151 HydrophobicContact CB-CE 3.79Å; I93-M151 HydrophobicContact CG2-CE 3.45Å; I93-M151 VanDerWaalsContact CG2-CE 3.45Å
94	E	93.9	Very high	93.8	Very high	67 Å²	67	45.1 Å²	45.1	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-59	-42.2	174.3	-70.2	-172.4	159.2	0	0	111.1	K70 W90 K91 N97 M98 M151	K70-E94 IonicContact NZ-OE1 2.59Å; K70-E94 PolarHBondContact NZ-OE1 3.19Å; K70-E94 IonicContact NZ-OE2 3.58Å; K70-E94 PolarHBondContact NZ-OE2 3.42Å; W90-E94 VanDerWaalsContact NE1-CD 3.3Å; W90-E94 PolarHBondContact NE1-OE1 3.44Å; W90-E94 PolarHBondContact O-N 2.94Å; K91-E94 PolarHBondContact O-N 2.94Å; E94-N97 PolarHBondContact O-N 3.01Å; E94-M98 WeakPolarHBondContact O-CG 3.24Å; E94-M98 PolarHBondContact O-N 2.65Å; E94-M151 HydrophobicContact CG-CE 4.03Å
95	E	93.9	Very high	93.9	Very high	102 Å²	102	44.4 Å²	44.4	48%	0.477	22%	0.221	S	C	.	.	H	α-helix	trans	-65.8	-35.3	174.7	-73	-174.8	-165.6	0	0	113.6	K91 I93 N97 M98 A99 K107	K91-E95 WeakPolarHBondContact O-CG 3.42Å; K91-E95 PolarHBondContact O-N 3.15Å; I93-E95 VanDerWaalsContact C-N 3.28Å; I93-E95 PolarHBondContact O-N 3.29Å; E95-N97 VanDerWaalsContact C-N 3.34Å; E95-M98 PolarHBondContact O-N 2.76Å; E95-A99 WeakPolarHBondContact O-CB 3.28Å; E95-A99 PolarHBondContact O-N 3.19Å; E95-A99 VanDerWaalsContact O-N 3.13Å; E95-K107 IonicContact OE2-NZ 2.84Å; E95-K107 PolarHBondContact OE2-NZ 2.66Å
96	Y	94.5	Very high	94	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-41.6	175	168.9	-92.2	0	0	0	111.3	D92 I93 M98 A99 R104 K107 A108 A142 G143 L146 F147	D92-Y96 WeakPolarHBondContact O-CB 3.47Å; D92-Y96 PolarHBondContact O-N 3.4Å; I93-Y96 WeakPolarHBondContact O-CB 3.47Å; I93-Y96 PolarHBondContact O-N 2.9Å; I93-Y96 VanDerWaalsContact O-N 3.16Å; Y96-M98 PolarHBondContact O-N 3Å; Y96-A99 WeakPolarHBondContact O-CB 3.3Å; Y96-A99 PolarHBondContact O-N 3.13Å; Y96-R104 HydrophobicContact CD2-CB 4.18Å; Y96-R104 HydrophobicContact CD2-CG 4.24Å; Y96-R104 HydrophobicContact CE2-CB 3.68Å; Y96-R104 HydrophobicContact CE2-CG 4.06Å; Y96-R104 WeakPolarHBondContact CE2-O 3.35Å; Y96-R104 VanDerWaalsContact CZ-NH2 3.3Å; Y96-R104 PolarHBondContact OH-NH2 2.91Å; Y96-K107 HydrophobicContact CD2-CB 4.18Å; Y96-A108 HydrophobicContact CD2-CB 4.38Å; Y96-A108 HydrophobicContact CE2-CB 3.94Å; Y96-A142 VanDerWaalsContact OH-CA 3.24Å; Y96-A142 WeakPolarHBondContact OH-CA 3.3Å; Y96-A142 PolarHBondContact OH-O 2.96Å; Y96-A142 VanDerWaalsContact OH-O 3.06Å; Y96-G143 PolarHBondContact OH-O 3.19Å; Y96-L146 HydrophobicContact CE1-CB 4.38Å; Y96-L146 HydrophobicContact CE2-CD2 4.41Å; Y96-L146 WeakPolarHBondContact OH-CD2 3.46Å; Y96-F147 AromaticContact CD1-CD2 3.47Å; Y96-F147 HydrophobicContact CD1-CD2 3.47Å; Y96-F147 VanDerWaalsContact CD1-CD2 3.47Å; Y96-F147 AromaticContact CD1-CE2 3.82Å; Y96-F147 HydrophobicContact CD1-CE2 3.82Å; Y96-F147 HydrophobicContact CD2-CD2 4.33Å; Y96-F147 AromaticContact CD2-CE2 3.81Å; Y96-F147 HydrophobicContact CD2-CE2 3.81Å; Y96-F147 AromaticContact CE1-CD2 3.57Å; Y96-F147 HydrophobicContact CE1-CD2 3.57Å; Y96-F147 AromaticContact CE1-CE2 3.87Å; Y96-F147 HydrophobicContact CE1-CE2 3.87Å; Y96-F147 HydrophobicContact CE2-CD2 4.41Å; Y96-F147 AromaticContact CE2-CE2 3.86Å; Y96-F147 HydrophobicContact CE2-CE2 3.86Å; Y96-F147 AromaticContact CG-CD2 3.86Å; Y96-F147 HydrophobicContact CG-CD2 3.86Å; Y96-F147 AromaticContact CG-CE2 3.78Å; Y96-F147 HydrophobicContact CG-CE2 3.78Å; Y96-F147 AromaticContact CZ-CE2 3.88Å
97	N	91	Very high	94	Very high	43 Å²	43	49.5 Å²	49.5	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-30.7	179.4	-68.9	-18.7	0	0	0	112.1	I93 E94 E95 R462	I93-N97 PolarHBondContact O-N 3.29Å; I93-N97 PolarHBondContact O-ND2 3.31Å; E94-N97 PolarHBondContact O-N 3.01Å; E95-N97 VanDerWaalsContact C-N 3.34Å; N97-R462 PolarHBondContact O-NH1 3.06Å
98	M	89.7	Confident	94	Very high	103 Å²	103	49.5 Å²	49.5	51%	0.507	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.5	178.9	-58.3	-64.1	111	0	0	113.9	E94 E95 Y96 A466 I468	E94-M98 WeakPolarHBondContact O-CG 3.24Å; E94-M98 PolarHBondContact O-N 2.65Å; E95-M98 PolarHBondContact O-N 2.76Å; Y96-M98 PolarHBondContact O-N 3Å; M98-A466 HydrophobicContact CE-CB 3.87Å; M98-A466 HydrophobicContact SD-CB 3.41Å; M98-A466 WeakPolarHBondContact SD-CB 3.32Å; M98-I468 VanDerWaalsContact O-CD1 3.3Å; M98-I468 WeakPolarHBondContact O-CD1 3.28Å
99	A	90.3	Very high	94	Very high	8 Å²	8	46.5 Å²	46.5	7%	0.066	24%	0.244	C	C	.	.	S	Bend	trans	-80.3	153.3	-174.5	0	0	0	0	0	113.4	E95 Y96 R104 K107 R462	E95-A99 WeakPolarHBondContact O-CB 3.28Å; E95-A99 PolarHBondContact O-N 3.19Å; E95-A99 VanDerWaalsContact O-N 3.13Å; Y96-A99 WeakPolarHBondContact O-CB 3.3Å; Y96-A99 PolarHBondContact O-N 3.13Å; A99-R104 HydrophobicContact CB-CG 3.81Å; A99-K107 HydrophobicContact CB-CD 3.52Å; A99-R462 PolarHBondContact O-NH1 2.91Å; A99-R462 PolarHBondContact O-NH2 3.33Å
100	E	88.4	Confident	94	Very high	68 Å²	68	51 Å²	51	32%	0.318	26%	0.264	S	S	.	.			trans	-64.3	147.4	168.2	-69.4	-59	141.3	0	0	111	E102 D103 R104 K463	E100-E102 HydrophobicContact CB-CG 4.21Å; E100-E102 PolarHBondContact O-N 3.34Å; E100-E102 VanDerWaalsContact O-N 3.15Å; E100-D103 PolarHBondContact O-N 3.04Å; E100-R104 WeakPolarHBondContact O-CG 3.44Å; E100-R104 PolarHBondContact O-N 3.32Å; E100-K463 WeakPolarHBondContact OE2-CE 3.39Å; E100-K463 IonicContact OE2-NZ 2.82Å; E100-K463 PolarHBondContact OE2-NZ 3.41Å
101	D	88.3	Confident	94	Very high	73 Å²	73	51.1 Å²	51.1	39%	0.39	27%	0.265	S	S	.	.	H	α-helix	trans	-56.2	-36.6	-173.1	-63.5	-48.7	0	0	0	112.6	D103 R104 N460 R462 K463	D101-D103 VanDerWaalsContact C-N 3.29Å; D101-D103 PolarHBondContact O-N 3.16Å; D101-R104 PolarHBondContact O-N 2.92Å; D101-N460 PolarHBondContact OD2-ND2 3.29Å; D101-R462 IonicContact OD1-CZ 3.31Å; D101-R462 IonicContact OD1-NH2 2.69Å; D101-R462 PolarHBondContact OD1-NH2 2.75Å; D101-K463 WeakPolarHBondContact OD2-CE 3.3Å; D101-K463 IonicContact OD2-NZ 3.08Å; D101-K463 PolarHBondContact OD2-NZ 2.83Å
102	E	90.7	Very high	94	Very high	169 Å²	169	49.2 Å²	49.2	79%	0.79	26%	0.257	S	S	*	.	H	α-helix	trans	-64.9	-27.6	178.5	60.9	-176.6	179.4	0	0	114.1	E100	E100-E102 HydrophobicContact CB-CG 4.21Å; E100-E102 PolarHBondContact O-N 3.34Å; E100-E102 VanDerWaalsContact O-N 3.15Å
103	D	93.1	Very high	93.9	Very high	81 Å²	81	50.9 Å²	50.9	43%	0.433	27%	0.271	S	S	.	.	H	α-helix	trans	-91.7	-17.6	-177.8	-75.3	-37.5	0	0	0	113.3	E100 D101 S106 K107	E100-D103 PolarHBondContact O-N 3.04Å; D101-D103 VanDerWaalsContact C-N 3.29Å; D101-D103 PolarHBondContact O-N 3.16Å; D103-S106 WeakPolarHBondContact O-CB 3.42Å; D103-S106 PolarHBondContact O-N 3.49Å; D103-K107 PolarHBondContact O-N 3.46Å
104	R	93.6	Very high	94	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.019	29%	0.289	C	S	.	.	H	α-helix	trans	-67.1	-43.1	-167.1	-77	179	76.7	-163.9	7.7	113.4	Y96 A99 E100 D101 S106 K107 A108 A142 G143 D144 R462	Y96-R104 HydrophobicContact CD2-CB 4.18Å; Y96-R104 HydrophobicContact CD2-CG 4.24Å; Y96-R104 HydrophobicContact CE2-CB 3.68Å; Y96-R104 HydrophobicContact CE2-CG 4.06Å; Y96-R104 WeakPolarHBondContact CE2-O 3.35Å; Y96-R104 VanDerWaalsContact CZ-NH2 3.3Å; Y96-R104 PolarHBondContact OH-NH2 2.91Å; A99-R104 HydrophobicContact CB-CG 3.81Å; E100-R104 WeakPolarHBondContact O-CG 3.44Å; E100-R104 PolarHBondContact O-N 3.32Å; D101-R104 PolarHBondContact O-N 2.92Å; R104-S106 VanDerWaalsContact C-N 3.28Å; R104-S106 PolarHBondContact O-N 3.4Å; R104-K107 PolarHBondContact O-N 3.18Å; R104-A108 WeakPolarHBondContact O-CB 3.4Å; R104-A108 PolarHBondContact O-N 3.28Å; R104-A142 HydrophobicContact CB-CB 3.71Å; R104-A142 PolarHBondContact NH1-O 3.05Å; R104-A142 VanDerWaalsContact NH1-O 3.08Å; R104-A142 PolarHBondContact NH2-O 2.63Å; R104-G143 PolarHBondContact NH2-O 3.2Å; R104-D144 IonicContact CZ-OD1 3.06Å; R104-D144 IonicContact NH1-OD1 2.9Å; R104-D144 PolarHBondContact NH1-OD1 3.4Å; R104-D144 IonicContact NH2-OD1 3.73Å; R104-D144 PolarHBondContact NH2-OD1 3.06Å; R104-R462 VanDerWaalsContact NH1-NE 3.11Å
105	A	95.9	Very high	94.1	Very high	39 Å²	39	52.9 Å²	52.9	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-40.5	177	0	0	0	0	0	111.5	A108 G109 A142	A105-A108 PolarHBondContact O-N 3.08Å; A105-G109 PolarHBondContact O-N 3.38Å; A105-A142 HydrophobicContact CB-CB 4.29Å
106	S	96.6	Very high	94.2	Very high	63 Å²	63	48.2 Å²	48.2	44%	0.441	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-44.6	174.9	-173.4	0	0	0	0	111.9	D103 R104 G109 K110	D103-S106 WeakPolarHBondContact O-CB 3.42Å; D103-S106 PolarHBondContact O-N 3.49Å; R104-S106 VanDerWaalsContact C-N 3.28Å; R104-S106 PolarHBondContact O-N 3.4Å; S106-G109 PolarHBondContact O-N 3.33Å; S106-K110 WeakPolarHBondContact O-CG 3.22Å; S106-K110 PolarHBondContact O-N 2.98Å; S106-K110 PolarHBondContact OG-NZ 2.74Å
107	K	96.4	Very high	94	Very high	55 Å²	55	51.2 Å²	51.2	24%	0.239	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-43.1	176.3	-80.3	175.2	171.2	-89.9	0	111.7	E95 Y96 A99 D103 R104 G109 K110 I111	E95-K107 IonicContact OE2-NZ 2.84Å; E95-K107 PolarHBondContact OE2-NZ 2.66Å; Y96-K107 HydrophobicContact CD2-CB 4.18Å; A99-K107 HydrophobicContact CB-CD 3.52Å; D103-K107 PolarHBondContact O-N 3.46Å; R104-K107 PolarHBondContact O-N 3.18Å; K107-G109 PolarHBondContact O-N 2.96Å; K107-K110 WeakPolarHBondContact O-CB 3.38Å; K107-K110 PolarHBondContact O-N 2.71Å; K107-I111 WeakPolarHBondContact O-CG1 3.35Å; K107-I111 PolarHBondContact O-N 3.26Å
108	A	97.1	Very high	94	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-44.5	177.3	0	0	0	0	0	112	Y96 R104 A105 K110 I111 L112 H139 L146 F147	Y96-A108 HydrophobicContact CD2-CB 4.38Å; Y96-A108 HydrophobicContact CE2-CB 3.94Å; R104-A108 WeakPolarHBondContact O-CB 3.4Å; R104-A108 PolarHBondContact O-N 3.28Å; A105-A108 PolarHBondContact O-N 3.08Å; A108-K110 VanDerWaalsContact C-N 3.32Å; A108-K110 PolarHBondContact O-N 3.19Å; A108-I111 PolarHBondContact O-N 3.43Å; A108-L112 PolarHBondContact O-N 2.97Å; A108-H139 HydrophobicContact CB-CB 3.83Å; A108-L146 HydrophobicContact CB-CD2 3.83Å; A108-F147 HydrophobicContact CB-CE2 4Å; A108-F147 HydrophobicContact CB-CZ 3.89Å
109	G	96.5	Very high	94.2	Very high	21 Å²	21	56 Å²	56	22%	0.216	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-35.9	174	0	0	0	0	0	113.5	A105 S106 K107 S113	A105-G109 PolarHBondContact O-N 3.38Å; S106-G109 PolarHBondContact O-N 3.33Å; K107-G109 PolarHBondContact O-N 2.96Å; G109-S113 PolarHBondContact O-N 3.06Å; G109-S113 VanDerWaalsContact O-N 3.12Å; G109-S113 PolarHBondContact O-OG 3.09Å
110	K	96.6	Very high	94.4	Very high	95 Å²	95	56.3 Å²	56.3	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-40.2	172.9	-73.9	167.4	-176.6	161.9	0	112	S106 K107 A108 S113 R114	S106-K110 WeakPolarHBondContact O-CG 3.22Å; S106-K110 PolarHBondContact O-N 2.98Å; S106-K110 PolarHBondContact OG-NZ 2.74Å; K107-K110 WeakPolarHBondContact O-CB 3.38Å; K107-K110 PolarHBondContact O-N 2.71Å; A108-K110 VanDerWaalsContact C-N 3.32Å; A108-K110 PolarHBondContact O-N 3.19Å; K110-S113 PolarHBondContact O-OG 2.95Å; K110-R114 VanDerWaalsContact O-CB 3.22Å; K110-R114 WeakPolarHBondContact O-CB 3.41Å; K110-R114 WeakPolarHBondContact O-CD 3.32Å; K110-R114 WeakPolarHBondContact O-CG 3.35Å; K110-R114 PolarHBondContact O-N 3.3Å; K110-R114 VanDerWaalsContact O-N 3.11Å
111	I	97.4	Very high	94.6	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-49.4	175.9	-72.6	163.8	0	0	0	109.9	L89 D92 K107 A108 S113 R114 Y115 M116 F147	L89-I111 HydrophobicContact CD1-CG2 3.66Å; D92-I111 HydrophobicContact CB-CD1 4.24Å; D92-I111 HydrophobicContact CB-CG1 3.86Å; K107-I111 WeakPolarHBondContact O-CG1 3.35Å; K107-I111 PolarHBondContact O-N 3.26Å; A108-I111 PolarHBondContact O-N 3.43Å; I111-S113 PolarHBondContact O-N 3.33Å; I111-R114 PolarHBondContact O-N 2.98Å; I111-Y115 HydrophobicContact CB-CD2 4.42Å; I111-Y115 HydrophobicContact CG2-CD2 4.1Å; I111-Y115 WeakPolarHBondContact O-CD2 3.41Å; I111-Y115 PolarHBondContact O-N 3.35Å; I111-Y115 VanDerWaalsContact O-N 3.14Å; I111-M116 HydrophobicContact CG2-CE 4.12Å; I111-F147 HydrophobicContact CB-CE1 4.25Å; I111-F147 HydrophobicContact CB-CZ 4.01Å; I111-F147 HydrophobicContact CD1-CD2 4.42Å; I111-F147 HydrophobicContact CD1-CE1 4.37Å; I111-F147 HydrophobicContact CD1-CE2 3.78Å; I111-F147 HydrophobicContact CD1-CZ 3.76Å; I111-F147 HydrophobicContact CG2-CD1 4.34Å; I111-F147 HydrophobicContact CG2-CE1 3.55Å; I111-F147 HydrophobicContact CG2-CZ 3.83Å
112	L	96.3	Very high	94.9	Very high	15 Å²	15	60 Å²	60	8%	0.079	31%	0.314	C	S	.	.	I	π-helix	trans	-54.2	-56.9	179.1	-176.6	72.4	0	0	0	111.6	A108 R114 M116 V135 K136	A108-L112 PolarHBondContact O-N 2.97Å; L112-R114 VanDerWaalsContact C-N 3.3Å; L112-R114 PolarHBondContact O-N 3.37Å; L112-M116 HydrophobicContact CD1-CB 3.98Å; L112-M116 HydrophobicContact CD1-SD 3.86Å; L112-M116 WeakPolarHBondContact O-CB 3.17Å; L112-M116 PolarHBondContact O-N 3.38Å; L112-V135 HydrophobicContact CD1-CG1 4.1Å; L112-K136 HydrophobicContact CD1-CB 4.14Å; L112-K136 HydrophobicContact CD2-CB 4.35Å; L112-K136 HydrophobicContact CD2-CG 4.28Å
113	S	96.2	Very high	95.2	Very high	59 Å²	59	56.2 Å²	56.2	41%	0.413	29%	0.293	S	S	.	.	I	π-helix	trans	-68.7	-20.3	-176.8	55.5	0	0	0	0	115.1	G109 K110 I111 A120	G109-S113 PolarHBondContact O-N 3.06Å; G109-S113 VanDerWaalsContact O-N 3.12Å; G109-S113 PolarHBondContact O-OG 3.09Å; K110-S113 PolarHBondContact O-OG 2.95Å; I111-S113 PolarHBondContact O-N 3.33Å; S113-A120 WeakPolarHBondContact O-CB 3.5Å
114	R	96.8	Very high	95.3	Very high	104 Å²	104	52.4 Å²	52.4	39%	0.392	27%	0.272	S	S	.	.	I	π-helix	trans	-90.9	-28.9	-179.3	-74.2	173.4	-173.7	178.6	-0	113.8	D92 K110 I111 L112 A120 Y122	D92-R114 IonicContact OD2-NH1 3.21Å; D92-R114 PolarHBondContact OD2-NH1 3.46Å; K110-R114 VanDerWaalsContact O-CB 3.22Å; K110-R114 WeakPolarHBondContact O-CB 3.41Å; K110-R114 WeakPolarHBondContact O-CD 3.32Å; K110-R114 WeakPolarHBondContact O-CG 3.35Å; K110-R114 PolarHBondContact O-N 3.3Å; K110-R114 VanDerWaalsContact O-N 3.11Å; I111-R114 PolarHBondContact O-N 2.98Å; L112-R114 VanDerWaalsContact C-N 3.3Å; L112-R114 PolarHBondContact O-N 3.37Å; R114-A120 WeakPolarHBondContact O-CB 3.49Å; R114-Y122 CarbonylContact O-C 3.54Å; R114-Y122 WeakPolarHBondContact O-CA 3.31Å; R114-Y122 WeakPolarHBondContact O-CB 3.33Å; R114-Y122 PolarHBondContact O-N 3.07Å; R114-Y122 VanDerWaalsContact O-N 3.08Å
115	Y	97.3	Very high	95.4	Very high	5 Å²	5	56.6 Å²	56.6	2%	0.02	30%	0.301	C	S	.	.	I	π-helix	trans	-130.5	-25.5	-166.4	-50.2	-67.9	0	0	0	114.9	R88 L89 D92 I111 Y122 Y123 C124	R88-Y115 HydrophobicContact CB-CE1 3.75Å; R88-Y115 WeakPolarHBondContact CB-OH 3.43Å; L89-Y115 HydrophobicContact CB-CD1 4.12Å; L89-Y115 HydrophobicContact CB-CD2 4.2Å; L89-Y115 HydrophobicContact CB-CE1 4.48Å; L89-Y115 HydrophobicContact CB-CG 4.01Å; L89-Y115 HydrophobicContact CD1-CD2 3.62Å; L89-Y115 HydrophobicContact CD1-CE2 4.32Å; L89-Y115 HydrophobicContact CD1-CG 3.96Å; L89-Y115 HydrophobicContact CG-CD2 4.48Å; L89-Y115 HydrophobicContact CG-CG 4.45Å; D92-Y115 HydrophobicContact CB-CE2 4.13Å; D92-Y115 VanDerWaalsContact CG-OH 3.31Å; D92-Y115 WeakPolarHBondContact OD2-CE2 3.27Å; D92-Y115 VanDerWaalsContact OD2-CZ 3.31Å; D92-Y115 PolarHBondContact OD2-OH 2.92Å; I111-Y115 HydrophobicContact CB-CD2 4.42Å; I111-Y115 HydrophobicContact CG2-CD2 4.1Å; I111-Y115 WeakPolarHBondContact O-CD2 3.41Å; I111-Y115 PolarHBondContact O-N 3.35Å; I111-Y115 VanDerWaalsContact O-N 3.14Å; Y115-Y122 HydrophobicContact CE1-CD2 4.24Å; Y115-Y122 HydrophobicContact CE1-CG 4.26Å; Y115-Y123 CarbonylContact O-C 3.6Å; Y115-Y123 WeakPolarHBondContact O-CA 3.31Å; Y115-C124 PolarHBondContact O-N 3.26Å
116	M	95.7	Very high	95.3	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.02	30%	0.296	C	S	.	.	I	π-helix	trans	-105.1	-15.4	-166.6	-63.4	-177.9	171.9	0	0	114.2	I111 L112 L127 I132 V135 F147 T150	I111-M116 HydrophobicContact CG2-CE 4.12Å; L112-M116 HydrophobicContact CD1-CB 3.98Å; L112-M116 HydrophobicContact CD1-SD 3.86Å; L112-M116 WeakPolarHBondContact O-CB 3.17Å; L112-M116 PolarHBondContact O-N 3.38Å; M116-L127 HydrophobicContact CE-CD1 4.21Å; M116-L127 HydrophobicContact CG-CD1 3.83Å; M116-I132 HydrophobicContact CB-CG1 4.27Å; M116-I132 HydrophobicContact CB-CG2 4.13Å; M116-I132 HydrophobicContact CG-CG1 4.48Å; M116-V135 HydrophobicContact CE-CG1 4.43Å; M116-V135 HydrophobicContact CE-CG2 4.16Å; M116-V135 HydrophobicContact SD-CB 4.04Å; M116-V135 HydrophobicContact SD-CG1 3.9Å; M116-V135 HydrophobicContact SD-CG2 4.28Å; M116-F147 HydrophobicContact CE-CD1 4.19Å; M116-F147 HydrophobicContact CE-CE1 3.99Å; M116-T150 HydrophobicContact CE-CG2 3.51Å
117	E	90.6	Very high	95.3	Very high	63 Å²	63	54.9 Å²	54.9	29%	0.294	28%	0.278	S	S	.	.	S	Bend	trans	-94	142.4	179.4	-61.4	-178.1	143.7	0	0	111.3	D119 A120 Y123	E117-D119 PolarHBondContact O-N 3.44Å; E117-D119 VanDerWaalsContact O-N 3.1Å; E117-A120 HydrophobicContact CB-CB 4.31Å; E117-A120 WeakPolarHBondContact O-CB 3.49Å; E117-A120 PolarHBondContact O-N 3.16Å; E117-Y123 VanDerWaalsContact C-CD2 3.45Å; E117-Y123 WeakPolarHBondContact O-CD2 3.25Å
118	P	91.2	Very high	95.2	Very high	107 Å²	107	54.7 Å²	54.7	70%	0.695	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.5	-175.6	-28.1	35.8	0	0	0	115.7
119	D	93.1	Very high	95	Very high	140 Å²	140	62.4 Å²	62.4	75%	0.749	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	2.7	176.8	61.9	-33.4	0	0	0	113.3	E117	E117-D119 PolarHBondContact O-N 3.44Å; E117-D119 VanDerWaalsContact O-N 3.1Å
120	A	94.4	Very high	94.8	Very high	14 Å²	14	67.1 Å²	67.1	12%	0.116	34%	0.339	C	S	.	.			trans	-67.3	141.3	-179	0	0	0	0	0	112	S113 R114 E117 Y122 Y123	S113-A120 WeakPolarHBondContact O-CB 3.5Å; R114-A120 WeakPolarHBondContact O-CB 3.49Å; E117-A120 HydrophobicContact CB-CB 4.31Å; E117-A120 WeakPolarHBondContact O-CB 3.49Å; E117-A120 PolarHBondContact O-N 3.16Å; A120-Y122 PolarHBondContact O-N 3.23Å; A120-Y122 VanDerWaalsContact O-N 3.07Å; A120-Y123 WeakPolarHBondContact O-CB 3.45Å; A120-Y123 PolarHBondContact O-N 2.79Å; A120-Y123 VanDerWaalsContact O-N 3.12Å
121	K	92.8	Very high	94.5	Very high	169 Å²	169	63 Å²	63	74%	0.735	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.3	-177.5	-176.6	177.7	-179.1	-175.6	0	113.7
122	Y	95.1	Very high	94.4	Very high	51 Å²	51	64.3 Å²	64.3	20%	0.2	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	37.4	-178.5	-63.1	-65.6	0	0	0	111.1	R88 R114 Y115 A120 C124	R88-Y122 VanDerWaalsContact NH1-CE2 3.29Å; R88-Y122 PolarHBondContact NH1-OH 3.16Å; R114-Y122 CarbonylContact O-C 3.54Å; R114-Y122 WeakPolarHBondContact O-CA 3.31Å; R114-Y122 WeakPolarHBondContact O-CB 3.33Å; R114-Y122 PolarHBondContact O-N 3.07Å; R114-Y122 VanDerWaalsContact O-N 3.08Å; Y115-Y122 HydrophobicContact CE1-CD2 4.24Å; Y115-Y122 HydrophobicContact CE1-CG 4.26Å; A120-Y122 PolarHBondContact O-N 3.23Å; A120-Y122 VanDerWaalsContact O-N 3.07Å; Y122-C124 PolarHBondContact O-N 2.79Å; Y122-C124 PolarHBondContact O-SG 2.95Å; Y122-C124 VanDerWaalsContact O-SG 3.36Å
123	Y	95.8	Very high	94.3	Very high	89 Å²	89	66.4 Å²	66.4	35%	0.349	34%	0.344	S	S	.	.			trans	-47	132.3	-177.5	179	-125.2	0	0	0	112.9	Y115 E117 A120 P125	Y115-Y123 CarbonylContact O-C 3.6Å; Y115-Y123 WeakPolarHBondContact O-CA 3.31Å; E117-Y123 VanDerWaalsContact C-CD2 3.45Å; E117-Y123 WeakPolarHBondContact O-CD2 3.25Å; A120-Y123 WeakPolarHBondContact O-CB 3.45Å; A120-Y123 PolarHBondContact O-N 2.79Å; A120-Y123 VanDerWaalsContact O-N 3.12Å; Y123-P125 HydrophobicContact CD1-CB 4.23Å; Y123-P125 HydrophobicContact CE1-CB 3.65Å; Y123-P125 HydrophobicContact CE1-CG 4.47Å; Y123-P125 VanDerWaalsContact O-CD 3.27Å; Y123-P125 WeakPolarHBondContact O-CD 3.48Å
124	C	95.9	Very high	94.2	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.334	C	S	.	.			trans	-112	87	-177.3	-74.1	0	0	0	0	109.7	G85 L89 Y115 Y122 F126 L127	G85-C124 VanDerWaalsContact C-SG 3.59Å; L89-C124 HydrophobicContact CD2-CB 4.35Å; Y115-C124 PolarHBondContact O-N 3.26Å; Y122-C124 PolarHBondContact O-N 2.79Å; Y122-C124 PolarHBondContact O-SG 2.95Å; Y122-C124 VanDerWaalsContact O-SG 3.36Å; C124-F126 HydrophobicContact CB-CD1 4.15Å; C124-F126 HydrophobicContact CB-CE1 3.5Å; C124-F126 VanDerWaalsContact CB-CE1 3.5Å; C124-F126 HydrophobicContact CB-CZ 3.88Å; C124-F126 PolarHBondContact O-N 3.49Å; C124-F126 VanDerWaalsContact O-N 3.16Å; C124-L127 HydrophobicContact CB-CD1 3.79Å; C124-L127 HydrophobicContact CB-CG 3.96Å; C124-L127 PolarHBondContact O-N 2.96Å
125	P	94.9	Very high	94.1	Very high	94 Å²	94	60.9 Å²	60.9	61%	0.61	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-12	-172.2	27.9	-36.5	0	0	0	114.5	Y123 L127	Y123-P125 HydrophobicContact CD1-CB 4.23Å; Y123-P125 HydrophobicContact CE1-CB 3.65Å; Y123-P125 HydrophobicContact CE1-CG 4.47Å; Y123-P125 VanDerWaalsContact O-CD 3.27Å; Y123-P125 WeakPolarHBondContact O-CD 3.48Å; P125-L127 VanDerWaalsContact C-N 3.28Å
126	F	94.5	Very high	94	Very high	52 Å²	52	66.6 Å²	66.6	23%	0.228	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-11.7	177.8	64.6	-91.1	0	0	0	112.8	P86 C124 V154 F157	P86-F126 HydrophobicContact CB-CE1 4.06Å; P86-F126 HydrophobicContact CB-CZ 4.09Å; P86-F126 HydrophobicContact CG-CE1 3.73Å; P86-F126 HydrophobicContact CG-CZ 4.29Å; C124-F126 HydrophobicContact CB-CD1 4.15Å; C124-F126 HydrophobicContact CB-CE1 3.5Å; C124-F126 VanDerWaalsContact CB-CE1 3.5Å; C124-F126 HydrophobicContact CB-CZ 3.88Å; C124-F126 PolarHBondContact O-N 3.49Å; C124-F126 VanDerWaalsContact O-N 3.16Å; F126-V154 HydrophobicContact CE2-CB 4.47Å; F126-V154 HydrophobicContact CE2-CG2 3.97Å; F126-V154 HydrophobicContact CZ-CG2 4.03Å; F126-F157 HydrophobicContact CB-CD2 3.86Å; F126-F157 HydrophobicContact CB-CE2 4.47Å; F126-F157 HydrophobicContact CB-CG 4.35Å; F126-F157 HydrophobicContact CD1-CB 4.41Å; F126-F157 HydrophobicContact CD1-CD1 4.16Å; F126-F157 AromaticContact CD1-CD2 3.92Å; F126-F157 HydrophobicContact CD1-CD2 3.92Å; F126-F157 HydrophobicContact CD1-CE1 4.46Å; F126-F157 HydrophobicContact CD1-CE2 4.22Å; F126-F157 AromaticContact CD1-CG 3.88Å; F126-F157 HydrophobicContact CD1-CG 3.88Å; F126-F157 HydrophobicContact CD1-CZ 4.48Å; F126-F157 HydrophobicContact CD2-CB 3.63Å; F126-F157 HydrophobicContact CD2-CD2 4.38Å; F126-F157 HydrophobicContact CD2-CG 4.01Å; F126-F157 HydrophobicContact CE1-CD1 4.1Å; F126-F157 HydrophobicContact CE1-CE1 4.46Å; F126-F157 HydrophobicContact CE1-CG 4.2Å; F126-F157 HydrophobicContact CE2-CB 3.89Å; F126-F157 HydrophobicContact CE2-CG 4.3Å; F126-F157 HydrophobicContact CG-CB 3.92Å; F126-F157 HydrophobicContact CG-CD1 4.49Å; F126-F157 AromaticContact CG-CD2 3.78Å; F126-F157 HydrophobicContact CG-CD2 3.78Å; F126-F157 HydrophobicContact CG-CE2 4.46Å; F126-F157 AromaticContact CG-CG 3.79Å; F126-F157 HydrophobicContact CG-CG 3.79Å; F126-F157 HydrophobicContact CZ-CB 4.4Å; F126-F157 HydrophobicContact CZ-CD1 4.34Å; F126-F157 HydrophobicContact CZ-CG 4.4Å
127	L	96.2	Very high	94	Very high	13 Å²	13	72.4 Å²	72.4	7%	0.068	37%	0.367	C	S	.	.	S	Bend	trans	-71.2	134.6	179.3	-66.4	176.9	0	0	0	110.7	L89 M116 C124 P125 I132 T150 V154	L89-L127 HydrophobicContact CD2-CD1 3.8Å; L89-L127 HydrophobicContact CD2-CD2 4.23Å; L89-L127 HydrophobicContact CD2-CG 4.45Å; M116-L127 HydrophobicContact CE-CD1 4.21Å; M116-L127 HydrophobicContact CG-CD1 3.83Å; C124-L127 HydrophobicContact CB-CD1 3.79Å; C124-L127 HydrophobicContact CB-CG 3.96Å; C124-L127 PolarHBondContact O-N 2.96Å; P125-L127 VanDerWaalsContact C-N 3.28Å; L127-I132 HydrophobicContact CB-CD1 4.05Å; L127-I132 HydrophobicContact CB-CG1 4.14Å; L127-T150 HydrophobicContact CD1-CG2 4.48Å; L127-T150 HydrophobicContact CD2-CG2 3.91Å; L127-V154 HydrophobicContact CD2-CG2 4.4Å
128	P	95.1	Very high	94.2	Very high	51 Å²	51	73.7 Å²	73.7	33%	0.331	37%	0.372	S	S	.	.			trans	-76.8	143.7	-178.1	34.8	-38	0	0	0	111.3	N130 G131 I132 S153	P128-N130 VanDerWaalsContact C-N 3.26Å; P128-N130 WeakPolarHBondContact CB-OD1 3.38Å; P128-N130 WeakPolarHBondContact CG-OD1 3.3Å; P128-N130 PolarHBondContact O-N 3.18Å; P128-G131 PolarHBondContact O-N 3.42Å; P128-G131 VanDerWaalsContact O-N 3.07Å; P128-I132 PolarHBondContact O-N 3.27Å; P128-I132 VanDerWaalsContact O-N 3.16Å; P128-S153 WeakPolarHBondContact CD-OG 3.43Å
129	E	93.6	Very high	94.4	Very high	162 Å²	162	71.3 Å²	71.3	76%	0.757	35%	0.351	S	S	*	.	H	α-helix	trans	-60.1	-33.7	-172.9	-172.9	175.8	-171.7	0	0	113.3	I132 T133	E129-I132 PolarHBondContact O-N 3.41Å; E129-T133 WeakPolarHBondContact O-CB 3.26Å; E129-T133 PolarHBondContact O-N 3.46Å; E129-T133 PolarHBondContact O-OG1 2.86Å
130	N	91.9	Very high	94.4	Very high	121 Å²	121	70.5 Å²	70.5	65%	0.647	34%	0.343	S	S	*	.	H	α-helix	trans	-63.4	-42.9	175.3	62.4	-20.4	0	0	0	112.3	P128 T133 K134	P128-N130 VanDerWaalsContact C-N 3.26Å; P128-N130 WeakPolarHBondContact CB-OD1 3.38Å; P128-N130 WeakPolarHBondContact CG-OD1 3.3Å; P128-N130 PolarHBondContact O-N 3.18Å; N130-T133 PolarHBondContact O-N 2.86Å; N130-K134 PolarHBondContact O-N 3.26Å
131	G	90.4	Very high	94.4	Very high	8 Å²	8	75.4 Å²	75.4	8%	0.082	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-42.7	176.9	0	0	0	0	0	111.6	P128 T133 K134 V135	P128-G131 PolarHBondContact O-N 3.42Å; P128-G131 VanDerWaalsContact O-N 3.07Å; G131-T133 VanDerWaalsContact C-N 3.33Å; G131-T133 PolarHBondContact O-N 3.36Å; G131-K134 PolarHBondContact O-N 3.33Å; G131-V135 WeakPolarHBondContact O-CG2 3.35Å; G131-V135 PolarHBondContact O-N 3.06Å; G131-V135 VanDerWaalsContact O-N 3.09Å
132	I	94.8	Very high	94.3	Very high	30 Å²	30	68 Å²	68	15%	0.154	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-44.7	174.9	-62.9	169.6	0	0	0	110.6	M116 L127 P128 E129 V135 K136	M116-I132 HydrophobicContact CB-CG1 4.27Å; M116-I132 HydrophobicContact CB-CG2 4.13Å; M116-I132 HydrophobicContact CG-CG1 4.48Å; L127-I132 HydrophobicContact CB-CD1 4.05Å; L127-I132 HydrophobicContact CB-CG1 4.14Å; P128-I132 PolarHBondContact O-N 3.27Å; P128-I132 VanDerWaalsContact O-N 3.16Å; E129-I132 PolarHBondContact O-N 3.41Å; I132-V135 PolarHBondContact O-N 3.28Å; I132-K136 VanDerWaalsContact O-CB 3.31Å; I132-K136 WeakPolarHBondContact O-CB 3.4Å; I132-K136 PolarHBondContact O-N 3.26Å
133	T	94.4	Very high	94	Very high	58 Å²	58	66.8 Å²	66.8	36%	0.356	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-46.2	179.1	-57.5	0	0	0	0	111.4	E129 N130 G131 V135 K136 E137	E129-T133 WeakPolarHBondContact O-CB 3.26Å; E129-T133 PolarHBondContact O-N 3.46Å; E129-T133 PolarHBondContact O-OG1 2.86Å; N130-T133 PolarHBondContact O-N 2.86Å; G131-T133 VanDerWaalsContact C-N 3.33Å; G131-T133 PolarHBondContact O-N 3.36Å; T133-V135 VanDerWaalsContact C-N 3.34Å; T133-V135 PolarHBondContact O-N 2.68Å; T133-K136 PolarHBondContact O-N 2.95Å; T133-E137 HydrophobicContact CG2-CG 4.42Å; T133-E137 WeakPolarHBondContact O-CG 3.47Å; T133-E137 PolarHBondContact O-N 3.22Å
134	K	93.4	Very high	93.6	Very high	48 Å²	48	67 Å²	67	21%	0.209	34%	0.343	C	S	.	.	H	α-helix	trans	-54.1	-49.6	175.1	-179	-170.4	-177.9	-168.8	0	111.3	N130 G131 E137 K138 D145 D149	N130-K134 PolarHBondContact O-N 3.26Å; G131-K134 PolarHBondContact O-N 3.33Å; K134-E137 PolarHBondContact O-N 2.89Å; K134-K138 WeakPolarHBondContact O-CB 3.22Å; K134-K138 PolarHBondContact O-N 3.32Å; K134-D145 PolarHBondContact NZ-O 2.87Å; K134-D145 IonicContact NZ-OD2 3.93Å; K134-D149 IonicContact NZ-OD2 3.2Å; K134-D149 PolarHBondContact NZ-OD2 3.16Å
135	V	95.3	Very high	93.4	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65.3	-44.8	179.2	176.1	0	0	0	0	110.8	L112 M116 G131 I132 T133 E137 K138 H139 L146 F147	L112-V135 HydrophobicContact CD1-CG1 4.1Å; M116-V135 HydrophobicContact CE-CG1 4.43Å; M116-V135 HydrophobicContact CE-CG2 4.16Å; M116-V135 HydrophobicContact SD-CB 4.04Å; M116-V135 HydrophobicContact SD-CG1 3.9Å; M116-V135 HydrophobicContact SD-CG2 4.28Å; G131-V135 WeakPolarHBondContact O-CG2 3.35Å; G131-V135 PolarHBondContact O-N 3.06Å; G131-V135 VanDerWaalsContact O-N 3.09Å; I132-V135 PolarHBondContact O-N 3.28Å; T133-V135 VanDerWaalsContact C-N 3.34Å; T133-V135 PolarHBondContact O-N 2.68Å; V135-E137 VanDerWaalsContact C-N 3.3Å; V135-E137 PolarHBondContact O-N 3.14Å; V135-K138 PolarHBondContact O-N 3.05Å; V135-H139 HydrophobicContact CG1-CB 4.47Å; V135-H139 WeakPolarHBondContact O-CA 3.4Å; V135-H139 WeakPolarHBondContact O-CB 3.35Å; V135-H139 PolarHBondContact O-N 3.07Å; V135-L146 HydrophobicContact CG2-CD1 4.34Å; V135-L146 HydrophobicContact CG2-CG 4.47Å; V135-F147 HydrophobicContact CB-CE1 4.39Å; V135-F147 HydrophobicContact CG1-CE1 3.58Å; V135-F147 HydrophobicContact CG1-CZ 4Å; V135-F147 HydrophobicContact CG2-CD1 3.96Å; V135-F147 HydrophobicContact CG2-CE1 3.81Å
136	K	95.1	Very high	93.4	Very high	124 Å²	124	66.9 Å²	66.9	54%	0.539	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-43.2	179.7	-173.2	170.9	-175.6	169.6	0	112.1	L112 I132 T133 H139	L112-K136 HydrophobicContact CD1-CB 4.14Å; L112-K136 HydrophobicContact CD2-CB 4.35Å; L112-K136 HydrophobicContact CD2-CG 4.28Å; I132-K136 VanDerWaalsContact O-CB 3.31Å; I132-K136 WeakPolarHBondContact O-CB 3.4Å; I132-K136 PolarHBondContact O-N 3.26Å; T133-K136 PolarHBondContact O-N 2.95Å; K136-H139 PolarHBondContact O-CE1 2.81Å; K136-H139 PolarHBondContact O-ND1 2.87Å
137	E	95.5	Very high	93.5	Very high	126 Å²	126	64.4 Å²	64.4	59%	0.589	33%	0.327	S	S	*	.	H	α-helix	trans	-71.4	-42.4	178.2	-69.4	176.3	172	0	0	111.9	T133 K134 V135 H140	T133-E137 HydrophobicContact CG2-CG 4.42Å; T133-E137 WeakPolarHBondContact O-CG 3.47Å; T133-E137 PolarHBondContact O-N 3.22Å; K134-E137 PolarHBondContact O-N 2.89Å; V135-E137 VanDerWaalsContact C-N 3.3Å; V135-E137 PolarHBondContact O-N 3.14Å; E137-H140 PolarHBondContact O-CE1 3.15Å; E137-H140 PolarHBondContact O-ND1 3.1Å
138	K	95.5	Very high	93.4	Very high	91 Å²	91	67.6 Å²	67.6	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-106.3	0.9	-167.1	-60.4	-170	173.3	-167.7	0	116.3	K134 V135 H140 E141 A142 L146	K134-K138 WeakPolarHBondContact O-CB 3.22Å; K134-K138 PolarHBondContact O-N 3.32Å; V135-K138 PolarHBondContact O-N 3.05Å; K138-H140 PolarHBondContact O-N 3.26Å; K138-E141 WeakPolarHBondContact O-CB 3.46Å; K138-E141 PolarHBondContact O-N 3.13Å; K138-A142 PolarHBondContact O-N 3.36Å; K138-L146 HydrophobicContact CB-CD1 3.92Å
139	H	94.1	Very high	93.4	Very high	56 Å²	56	68.9 Å²	68.9	26%	0.259	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.5	-177.9	68.7	-74.1	0	0	0	113.7	A108 V135 K136 A142	A108-H139 HydrophobicContact CB-CB 3.83Å; V135-H139 HydrophobicContact CG1-CB 4.47Å; V135-H139 WeakPolarHBondContact O-CA 3.4Å; V135-H139 WeakPolarHBondContact O-CB 3.35Å; V135-H139 PolarHBondContact O-N 3.07Å; K136-H139 PolarHBondContact O-CE1 2.81Å; K136-H139 PolarHBondContact O-ND1 2.87Å; H139-A142 PolarHBondContact O-N 3.19Å
140	H	94.1	Very high	93.5	Very high	123 Å²	123	61.4 Å²	61.4	57%	0.569	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-25.7	177.2	69.4	-83.4	0	0	0	113.3	E137 K138	E137-H140 PolarHBondContact O-CE1 3.15Å; E137-H140 PolarHBondContact O-ND1 3.1Å; K138-H140 PolarHBondContact O-N 3.26Å
141	E	93.5	Very high	93.7	Very high	118 Å²	118	57 Å²	57	55%	0.551	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-25.6	175.4	-58.8	176.1	-166.1	0	0	111.6	K138 G143	K138-E141 WeakPolarHBondContact O-CB 3.46Å; K138-E141 PolarHBondContact O-N 3.13Å; E141-G143 VanDerWaalsContact C-N 3.28Å; E141-G143 PolarHBondContact O-N 2.74Å
142	A	90.7	Very high	94	Very high	14 Å²	14	61.2 Å²	61.2	12%	0.116	31%	0.31	C	S	.	.			trans	53.2	41	177.1	0	0	0	0	0	114.3	Y96 R104 A105 K138 H139	Y96-A142 VanDerWaalsContact OH-CA 3.24Å; Y96-A142 WeakPolarHBondContact OH-CA 3.3Å; Y96-A142 PolarHBondContact OH-O 2.96Å; Y96-A142 VanDerWaalsContact OH-O 3.06Å; R104-A142 HydrophobicContact CB-CB 3.71Å; R104-A142 PolarHBondContact NH1-O 3.05Å; R104-A142 VanDerWaalsContact NH1-O 3.08Å; R104-A142 PolarHBondContact NH2-O 2.63Å; A105-A142 HydrophobicContact CB-CB 4.29Å; K138-A142 PolarHBondContact O-N 3.36Å; H139-A142 PolarHBondContact O-N 3.19Å
143	G	89.9	Confident	94.1	Very high	24 Å²	24	61.1 Å²	61.1	25%	0.247	31%	0.312	C	S	.	.			trans	-61.1	155.8	179.4	0	0	0	0	0	114.4	Y96 R104 E141 D145 L146	Y96-G143 PolarHBondContact OH-O 3.19Å; R104-G143 PolarHBondContact NH2-O 3.2Å; E141-G143 VanDerWaalsContact C-N 3.28Å; E141-G143 PolarHBondContact O-N 2.74Å; G143-D145 VanDerWaalsContact C-N 3.31Å; G143-D145 PolarHBondContact O-N 3.08Å; G143-L146 VanDerWaalsContact O-CB 3.3Å; G143-L146 WeakPolarHBondContact O-CB 3.43Å; G143-L146 PolarHBondContact O-N 3.42Å
144	D	86.9	Confident	94.2	Very high	94 Å²	94	58.3 Å²	58.3	50%	0.503	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.5	-179.8	-70.7	-6	0	0	0	113.4	R104 R462	R104-D144 IonicContact CZ-OD1 3.06Å; R104-D144 IonicContact NH1-OD1 2.9Å; R104-D144 PolarHBondContact NH1-OD1 3.4Å; R104-D144 IonicContact NH2-OD1 3.73Å; R104-D144 PolarHBondContact NH2-OD1 3.06Å; D144-R462 VanDerWaalsContact OD1-CD 3.28Å; D144-R462 WeakPolarHBondContact OD1-CD 3.48Å; D144-R462 IonicContact OD1-NE 3.86Å; D144-R462 PolarHBondContact OD1-NE 3.27Å
145	D	90.6	Very high	94.3	Very high	86 Å²	86	57.7 Å²	57.7	46%	0.46	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	6.2	-178.2	71.5	-43.1	0	0	0	113.8	K134 G143 F147 N148	K134-D145 PolarHBondContact NZ-O 2.87Å; K134-D145 IonicContact NZ-OD2 3.93Å; G143-D145 VanDerWaalsContact C-N 3.31Å; G143-D145 PolarHBondContact O-N 3.08Å; D145-F147 PolarHBondContact O-N 3.39Å; D145-F147 VanDerWaalsContact O-N 3.11Å; D145-N148 PolarHBondContact O-N 3.01Å
146	L	95	Very high	94.4	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.6	-169.8	-179.2	63.1	0	0	0	112.9	Y96 A108 V135 K138 G143	Y96-L146 HydrophobicContact CE1-CB 4.38Å; Y96-L146 HydrophobicContact CE2-CD2 4.41Å; Y96-L146 WeakPolarHBondContact OH-CD2 3.46Å; A108-L146 HydrophobicContact CB-CD2 3.83Å; V135-L146 HydrophobicContact CG2-CD1 4.34Å; V135-L146 HydrophobicContact CG2-CG 4.47Å; K138-L146 HydrophobicContact CB-CD1 3.92Å; G143-L146 VanDerWaalsContact O-CB 3.3Å; G143-L146 WeakPolarHBondContact O-CB 3.43Å; G143-L146 PolarHBondContact O-N 3.42Å
147	F	96.5	Very high	94.4	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	9.6	-174.7	-65.5	-68.3	0	0	0	114.6	I93 Y96 A108 I111 M116 V135 D145 T150 M151	I93-F147 HydrophobicContact CD1-CB 4.27Å; I93-F147 HydrophobicContact CG1-CB 4.1Å; I93-F147 HydrophobicContact CG1-CD1 4.36Å; I93-F147 HydrophobicContact CG1-CG 4.15Å; I93-F147 HydrophobicContact CG2-CB 3.71Å; I93-F147 HydrophobicContact CG2-CG 4.4Å; Y96-F147 AromaticContact CD1-CD2 3.47Å; Y96-F147 HydrophobicContact CD1-CD2 3.47Å; Y96-F147 VanDerWaalsContact CD1-CD2 3.47Å; Y96-F147 AromaticContact CD1-CE2 3.82Å; Y96-F147 HydrophobicContact CD1-CE2 3.82Å; Y96-F147 HydrophobicContact CD2-CD2 4.33Å; Y96-F147 AromaticContact CD2-CE2 3.81Å; Y96-F147 HydrophobicContact CD2-CE2 3.81Å; Y96-F147 AromaticContact CE1-CD2 3.57Å; Y96-F147 HydrophobicContact CE1-CD2 3.57Å; Y96-F147 AromaticContact CE1-CE2 3.87Å; Y96-F147 HydrophobicContact CE1-CE2 3.87Å; Y96-F147 HydrophobicContact CE2-CD2 4.41Å; Y96-F147 AromaticContact CE2-CE2 3.86Å; Y96-F147 HydrophobicContact CE2-CE2 3.86Å; Y96-F147 AromaticContact CG-CD2 3.86Å; Y96-F147 HydrophobicContact CG-CD2 3.86Å; Y96-F147 AromaticContact CG-CE2 3.78Å; Y96-F147 HydrophobicContact CG-CE2 3.78Å; Y96-F147 AromaticContact CZ-CE2 3.88Å; A108-F147 HydrophobicContact CB-CE2 4Å; A108-F147 HydrophobicContact CB-CZ 3.89Å; I111-F147 HydrophobicContact CB-CE1 4.25Å; I111-F147 HydrophobicContact CB-CZ 4.01Å; I111-F147 HydrophobicContact CD1-CD2 4.42Å; I111-F147 HydrophobicContact CD1-CE1 4.37Å; I111-F147 HydrophobicContact CD1-CE2 3.78Å; I111-F147 HydrophobicContact CD1-CZ 3.76Å; I111-F147 HydrophobicContact CG2-CD1 4.34Å; I111-F147 HydrophobicContact CG2-CE1 3.55Å; I111-F147 HydrophobicContact CG2-CZ 3.83Å; M116-F147 HydrophobicContact CE-CD1 4.19Å; M116-F147 HydrophobicContact CE-CE1 3.99Å; V135-F147 HydrophobicContact CB-CE1 4.39Å; V135-F147 HydrophobicContact CG1-CE1 3.58Å; V135-F147 HydrophobicContact CG1-CZ 4Å; V135-F147 HydrophobicContact CG2-CD1 3.96Å; V135-F147 HydrophobicContact CG2-CE1 3.81Å; D145-F147 PolarHBondContact O-N 3.39Å; D145-F147 VanDerWaalsContact O-N 3.11Å; F147-T150 HydrophobicContact CD1-CG2 4.49Å; F147-T150 WeakPolarHBondContact O-CB 3.42Å; F147-T150 PolarHBondContact O-N 2.89Å; F147-M151 PolarHBondContact O-N 2.64Å
148	N	94.2	Very high	94.5	Very high	79 Å²	79	52.5 Å²	52.5	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-58.3	-54.7	-178.1	-71.7	-0.8	0	0	0	111.6	D145 T150 M151 D152	D145-N148 PolarHBondContact O-N 3.01Å; N148-T150 PolarHBondContact O-N 3.06Å; N148-M151 WeakPolarHBondContact O-CB 3.32Å; N148-M151 PolarHBondContact O-N 3.02Å; N148-D152 PolarHBondContact O-N 3.48Å
149	D	95.1	Very high	94.6	Very high	79 Å²	79	52 Å²	52	42%	0.422	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-31.5	178.4	-49.2	-43.8	0	0	0	112.3	K134 S153	K134-D149 IonicContact NZ-OD2 3.2Å; K134-D149 PolarHBondContact NZ-OD2 3.16Å; D149-S153 PolarHBondContact O-N 2.82Å; D149-S153 VanDerWaalsContact O-N 3.11Å; D149-S153 PolarHBondContact O-OG 3.37Å
150	T	96.6	Very high	94.6	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-44	176.1	-57.4	0	0	0	0	110.6	L89 I93 M116 L127 F147 N148 D152 S153 V154	L89-T150 HydrophobicContact CD1-CG2 4.48Å; L89-T150 HydrophobicContact CD2-CG2 4.17Å; I93-T150 HydrophobicContact CD1-CG2 3.73Å; M116-T150 HydrophobicContact CE-CG2 3.51Å; L127-T150 HydrophobicContact CD1-CG2 4.48Å; L127-T150 HydrophobicContact CD2-CG2 3.91Å; F147-T150 HydrophobicContact CD1-CG2 4.49Å; F147-T150 WeakPolarHBondContact O-CB 3.42Å; F147-T150 PolarHBondContact O-N 2.89Å; N148-T150 PolarHBondContact O-N 3.06Å; T150-D152 VanDerWaalsContact C-N 3.35Å; T150-S153 PolarHBondContact O-N 3.41Å; T150-V154 VanDerWaalsContact O-CG2 3.28Å; T150-V154 WeakPolarHBondContact O-CG2 3.34Å; T150-V154 PolarHBondContact O-N 3.24Å
151	M	96.4	Very high	94.4	Very high	29 Å²	29	52.9 Å²	52.9	14%	0.143	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-43	177.1	-173.5	65.5	91.7	0	0	110.9	W90 I93 E94 F147 N148 S153 V154 M155	W90-M151 HydrophobicContact CG-SD 4.44Å; I93-M151 HydrophobicContact CB-CE 3.79Å; I93-M151 HydrophobicContact CG2-CE 3.45Å; I93-M151 VanDerWaalsContact CG2-CE 3.45Å; E94-M151 HydrophobicContact CG-CE 4.03Å; F147-M151 PolarHBondContact O-N 2.64Å; N148-M151 WeakPolarHBondContact O-CB 3.32Å; N148-M151 PolarHBondContact O-N 3.02Å; M151-S153 VanDerWaalsContact C-N 3.32Å; M151-S153 PolarHBondContact O-N 3.49Å; M151-V154 WeakPolarHBondContact O-CB 3.38Å; M151-V154 PolarHBondContact O-N 2.86Å; M151-V154 VanDerWaalsContact O-N 3.13Å; M151-M155 HydrophobicContact CG-CE 4.31Å; M151-M155 HydrophobicContact CG-CG 4.45Å; M151-M155 WeakPolarHBondContact O-CG 3.17Å; M151-M155 PolarHBondContact O-N 3.36Å; M151-M155 HydrophobicContact SD-CE 3.67Å
152	D	95.8	Very high	94.5	Very high	96 Å²	96	47.3 Å²	47.3	51%	0.513	25%	0.254	S	S	.	.	H	α-helix	trans	-58.8	-45.5	176.1	-68.6	-20.1	0	0	0	110.9	N148 T150 V154 M155 D156	N148-D152 PolarHBondContact O-N 3.48Å; T150-D152 VanDerWaalsContact C-N 3.35Å; D152-V154 VanDerWaalsContact C-N 3.32Å; D152-V154 PolarHBondContact O-N 3.43Å; D152-M155 PolarHBondContact O-N 3.01Å; D152-D156 WeakPolarHBondContact O-CB 3.48Å; D152-D156 PolarHBondContact O-N 2.89Å
153	S	96.8	Very high	94.9	Very high	27 Å²	27	47.3 Å²	47.3	19%	0.189	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-37.7	175.8	-57.6	0	0	0	0	112.7	P128 D149 T150 M151 F157	P128-S153 WeakPolarHBondContact CD-OG 3.43Å; D149-S153 PolarHBondContact O-N 2.82Å; D149-S153 VanDerWaalsContact O-N 3.11Å; D149-S153 PolarHBondContact O-OG 3.37Å; T150-S153 PolarHBondContact O-N 3.41Å; M151-S153 VanDerWaalsContact C-N 3.32Å; M151-S153 PolarHBondContact O-N 3.49Å; S153-F157 WeakPolarHBondContact O-CB 3.15Å; S153-F157 PolarHBondContact O-N 3.29Å
154	V	96.5	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-45.9	174.8	169.4	0	0	0	0	110.7	L89 W90 F126 L127 T150 M151 D152 F157 L158	L89-V154 HydrophobicContact CD2-CG2 3.59Å; L89-V154 HydrophobicContact CG-CG2 3.98Å; W90-V154 HydrophobicContact CB-CG1 4.03Å; F126-V154 HydrophobicContact CE2-CB 4.47Å; F126-V154 HydrophobicContact CE2-CG2 3.97Å; F126-V154 HydrophobicContact CZ-CG2 4.03Å; L127-V154 HydrophobicContact CD2-CG2 4.4Å; T150-V154 VanDerWaalsContact O-CG2 3.28Å; T150-V154 WeakPolarHBondContact O-CG2 3.34Å; T150-V154 PolarHBondContact O-N 3.24Å; M151-V154 WeakPolarHBondContact O-CB 3.38Å; M151-V154 PolarHBondContact O-N 2.86Å; M151-V154 VanDerWaalsContact O-N 3.13Å; D152-V154 VanDerWaalsContact C-N 3.32Å; D152-V154 PolarHBondContact O-N 3.43Å; V154-F157 PolarHBondContact O-N 3.28Å; V154-L158 HydrophobicContact CG1-CD1 3.75Å; V154-L158 HydrophobicContact CG1-CG 4.29Å; V154-L158 WeakPolarHBondContact O-CB 3.39Å; V154-L158 WeakPolarHBondContact O-CG 3.48Å; V154-L158 PolarHBondContact O-N 2.94Å
155	M	96.9	Very high	95.7	Very high	34 Å²	34	51 Å²	51	17%	0.167	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-40.8	179.1	-66.6	-61.7	172.3	0	0	111.8	F59 V64 W90 M151 D152 F157 L158 K159	F59-M155 HydrophobicContact CE1-SD 4.19Å; F59-M155 HydrophobicContact CZ-SD 4.21Å; V64-M155 HydrophobicContact CG2-SD 4.39Å; W90-M155 HydrophobicContact CD2-CE 4.14Å; W90-M155 HydrophobicContact CG-CE 4.29Å; W90-M155 HydrophobicContact CZ2-CE 3.89Å; M151-M155 HydrophobicContact CG-CE 4.31Å; M151-M155 HydrophobicContact CG-CG 4.45Å; M151-M155 WeakPolarHBondContact O-CG 3.17Å; M151-M155 PolarHBondContact O-N 3.36Å; M151-M155 HydrophobicContact SD-CE 3.67Å; D152-M155 PolarHBondContact O-N 3.01Å; M155-F157 VanDerWaalsContact C-N 3.33Å; M155-F157 PolarHBondContact O-N 3.34Å; M155-L158 PolarHBondContact O-N 2.98Å; M155-K159 WeakPolarHBondContact O-CB 3.39Å; M155-K159 WeakPolarHBondContact O-CG 3.45Å; M155-K159 PolarHBondContact O-N 3.32Å
156	D	96.1	Very high	96	Very high	84 Å²	84	46.9 Å²	46.9	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-38.9	175.4	-79.5	-9.8	0	0	0	112.4	D152 K159 E160	D152-D156 WeakPolarHBondContact O-CB 3.48Å; D152-D156 PolarHBondContact O-N 2.89Å; D156-K159 WeakPolarHBondContact O-CG 3.39Å; D156-K159 WeakPolarHBondContact OD1-CE 3.39Å; D156-K159 IonicContact OD1-NZ 3.51Å; D156-K159 PolarHBondContact OD1-NZ 3.45Å; D156-E160 WeakPolarHBondContact O-CG 3.31Å
157	F	96	Very high	96.1	Very high	58 Å²	58	48.3 Å²	48.3	25%	0.254	25%	0.248	S	C	.	.	H	α-helix	trans	-67.6	-46.2	173	173.9	-97.3	0	0	0	111.9	Y83 P86 F126 S153 V154 M155 K159 P162	Y83-F157 HydrophobicContact CD1-CE1 4.43Å; Y83-F157 HydrophobicContact CD1-CZ 4.47Å; P86-F157 HydrophobicContact CB-CD1 4.06Å; P86-F157 HydrophobicContact CB-CE1 4.09Å; P86-F157 HydrophobicContact CG-CD1 3.93Å; P86-F157 HydrophobicContact CG-CE1 3.5Å; P86-F157 HydrophobicContact CG-CZ 4.39Å; F126-F157 HydrophobicContact CB-CD2 3.86Å; F126-F157 HydrophobicContact CB-CE2 4.47Å; F126-F157 HydrophobicContact CB-CG 4.35Å; F126-F157 HydrophobicContact CD1-CB 4.41Å; F126-F157 HydrophobicContact CD1-CD1 4.16Å; F126-F157 AromaticContact CD1-CD2 3.92Å; F126-F157 HydrophobicContact CD1-CD2 3.92Å; F126-F157 HydrophobicContact CD1-CE1 4.46Å; F126-F157 HydrophobicContact CD1-CE2 4.22Å; F126-F157 AromaticContact CD1-CG 3.88Å; F126-F157 HydrophobicContact CD1-CG 3.88Å; F126-F157 HydrophobicContact CD1-CZ 4.48Å; F126-F157 HydrophobicContact CD2-CB 3.63Å; F126-F157 HydrophobicContact CD2-CD2 4.38Å; F126-F157 HydrophobicContact CD2-CG 4.01Å; F126-F157 HydrophobicContact CE1-CD1 4.1Å; F126-F157 HydrophobicContact CE1-CE1 4.46Å; F126-F157 HydrophobicContact CE1-CG 4.2Å; F126-F157 HydrophobicContact CE2-CB 3.89Å; F126-F157 HydrophobicContact CE2-CG 4.3Å; F126-F157 HydrophobicContact CG-CB 3.92Å; F126-F157 HydrophobicContact CG-CD1 4.49Å; F126-F157 AromaticContact CG-CD2 3.78Å; F126-F157 HydrophobicContact CG-CD2 3.78Å; F126-F157 HydrophobicContact CG-CE2 4.46Å; F126-F157 AromaticContact CG-CG 3.79Å; F126-F157 HydrophobicContact CG-CG 3.79Å; F126-F157 HydrophobicContact CZ-CB 4.4Å; F126-F157 HydrophobicContact CZ-CD1 4.34Å; F126-F157 HydrophobicContact CZ-CG 4.4Å; S153-F157 WeakPolarHBondContact O-CB 3.15Å; S153-F157 PolarHBondContact O-N 3.29Å; V154-F157 PolarHBondContact O-N 3.28Å; M155-F157 VanDerWaalsContact C-N 3.33Å; M155-F157 PolarHBondContact O-N 3.34Å; F157-K159 PolarHBondContact O-N 2.97Å; F157-P162 HydrophobicContact CD1-CG 4.21Å; F157-P162 HydrophobicContact CE1-CG 3.71Å; F157-P162 HydrophobicContact CZ-CG 4.07Å; F157-P162 WeakPolarHBondContact O-CD 3.47Å
158	L	96.9	Very high	96.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-33.6	-173.9	-72.7	177.9	0	0	0	113.4	F59 F73 L77 P86 W90 V154 M155 E160 P162 Y163	F59-L158 HydrophobicContact CE2-CB 4.09Å; F59-L158 HydrophobicContact CZ-CB 3.91Å; F73-L158 HydrophobicContact CE1-CB 4.18Å; F73-L158 HydrophobicContact CE1-CD1 4.31Å; F73-L158 HydrophobicContact CE1-CD2 4.43Å; F73-L158 HydrophobicContact CZ-CB 4.22Å; F73-L158 HydrophobicContact CZ-CD2 4.34Å; L77-L158 HydrophobicContact CD1-CD1 4.23Å; L77-L158 HydrophobicContact CD1-CD2 3.67Å; L77-L158 HydrophobicContact CD2-CD2 3.77Å; L77-L158 HydrophobicContact CG-CD2 4.39Å; P86-L158 HydrophobicContact CB-CD2 4Å; W90-L158 HydrophobicContact CE3-CD1 3.99Å; W90-L158 HydrophobicContact CZ3-CD1 4.43Å; V154-L158 HydrophobicContact CG1-CD1 3.75Å; V154-L158 HydrophobicContact CG1-CG 4.29Å; V154-L158 WeakPolarHBondContact O-CB 3.39Å; V154-L158 WeakPolarHBondContact O-CG 3.48Å; V154-L158 PolarHBondContact O-N 2.94Å; M155-L158 PolarHBondContact O-N 2.98Å; L158-E160 VanDerWaalsContact C-N 3.27Å; L158-E160 PolarHBondContact O-N 3.33Å; L158-P162 HydrophobicContact CD2-CB 4.34Å; L158-P162 HydrophobicContact CD2-CG 4.36Å; L158-Y163 WeakPolarHBondContact O-CB 3.41Å; L158-Y163 PolarHBondContact O-N 2.88Å; L158-Y163 VanDerWaalsContact O-N 3.17Å
159	K	97	Very high	96.1	Very high	81 Å²	81	51.7 Å²	51.7	35%	0.352	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.6	-177.6	77	-171.9	-174.4	-169	0	114.4	F59 M155 D156 F157 Y163	F59-K159 HydrophobicContact CB-CB 4.08Å; F59-K159 HydrophobicContact CD1-CB 3.51Å; F59-K159 HydrophobicContact CD2-CB 3.94Å; F59-K159 HydrophobicContact CE1-CB 3.85Å; F59-K159 HydrophobicContact CE2-CB 4.22Å; F59-K159 HydrophobicContact CG-CB 3.56Å; F59-K159 HydrophobicContact CZ-CB 4.18Å; M155-K159 WeakPolarHBondContact O-CB 3.39Å; M155-K159 WeakPolarHBondContact O-CG 3.45Å; M155-K159 PolarHBondContact O-N 3.32Å; D156-K159 WeakPolarHBondContact O-CG 3.39Å; D156-K159 WeakPolarHBondContact OD1-CE 3.39Å; D156-K159 IonicContact OD1-NZ 3.51Å; D156-K159 PolarHBondContact OD1-NZ 3.45Å; F157-K159 PolarHBondContact O-N 2.97Å; K159-Y163 WeakPolarHBondContact O-CB 3.44Å
160	E	94.6	Very high	96.1	Very high	115 Å²	115	49.7 Å²	49.7	54%	0.537	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-110.2	-177.6	-61.8	-63.1	151	0	0	110.7	D156 L158 Y163 T164	D156-E160 WeakPolarHBondContact O-CG 3.31Å; L158-E160 VanDerWaalsContact C-N 3.27Å; L158-E160 PolarHBondContact O-N 3.33Å; E160-Y163 PolarHBondContact O-N 2.81Å; E160-T164 PolarHBondContact O-N 3.14Å
161	V	90.5	Very high	96.2	Very high	82 Å²	82	50.9 Å²	50.9	50%	0.497	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-49	-173.9	178	0	0	0	0	112.6	Y163 T164 F165	V161-Y163 VanDerWaalsContact C-N 3.26Å; V161-Y163 PolarHBondContact O-N 3Å; V161-T164 PolarHBondContact O-N 3.09Å; V161-T164 PolarHBondContact O-OG1 2.98Å; V161-F165 HydrophobicContact CG1-CD2 3.76Å; V161-F165 HydrophobicContact CG1-CE2 3.43Å; V161-F165 VanDerWaalsContact CG1-CE2 3.43Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.22Å; V161-F165 PolarHBondContact O-N 3.48Å
162	P	96.3	Very high	96.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.6	-38.5	-179.3	-24.1	36.1	0	0	0	112.7	F73 F76 L77 Y83 F157 L158 F165 F166	F73-P162 HydrophobicContact CZ-CB 4.48Å; F76-P162 WeakPolarHBondContact CE1-O 3.22Å; L77-P162 HydrophobicContact CD2-CB 3.92Å; Y83-P162 HydrophobicContact CD1-CB 4.45Å; Y83-P162 HydrophobicContact CD1-CG 4.13Å; Y83-P162 HydrophobicContact CD2-CB 4.33Å; Y83-P162 HydrophobicContact CE1-CB 4.35Å; Y83-P162 HydrophobicContact CE1-CG 3.95Å; Y83-P162 HydrophobicContact CE2-CB 4.2Å; Y83-P162 HydrophobicContact CG-CB 4.47Å; F157-P162 HydrophobicContact CD1-CG 4.21Å; F157-P162 HydrophobicContact CE1-CG 3.71Å; F157-P162 HydrophobicContact CZ-CG 4.07Å; F157-P162 WeakPolarHBondContact O-CD 3.47Å; L158-P162 HydrophobicContact CD2-CB 4.34Å; L158-P162 HydrophobicContact CD2-CG 4.36Å; P162-F165 PolarHBondContact O-N 3.2Å; P162-F166 PolarHBondContact O-N 2.87Å
163	Y	97.9	Very high	96.2	Very high	15 Å²	15	49.2 Å²	49.2	6%	0.059	24%	0.244	C	C	.	.	H	α-helix	trans	-68	-39.6	178.9	-170.2	-123	0	0	0	112.8	L57 G58 F59 C63 F73 L158 K159 E160 V161 F165 F166 L167	L57-Y163 PolarHBondContact O-OH 3.36Å; G58-Y163 PolarHBondContact O-OH 2.84Å; F59-Y163 HydrophobicContact CB-CD1 3.95Å; F59-Y163 HydrophobicContact CB-CE1 3.95Å; F59-Y163 HydrophobicContact CB-CG 4.26Å; F59-Y163 HydrophobicContact CD2-CD1 4.31Å; F59-Y163 AromaticContact CD2-CD2 3.68Å; F59-Y163 HydrophobicContact CD2-CD2 3.68Å; F59-Y163 HydrophobicContact CD2-CE2 4.21Å; F59-Y163 AromaticContact CD2-CG 3.75Å; F59-Y163 HydrophobicContact CD2-CG 3.75Å; F59-Y163 HydrophobicContact CE2-CD2 4.49Å; F59-Y163 HydrophobicContact CG-CG 4.48Å; C63-Y163 WeakPolarHBondContact SG-CE2 3.17Å; F73-Y163 HydrophobicContact CE2-CD2 4.28Å; L158-Y163 WeakPolarHBondContact O-CB 3.41Å; L158-Y163 PolarHBondContact O-N 2.88Å; L158-Y163 VanDerWaalsContact O-N 3.17Å; K159-Y163 WeakPolarHBondContact O-CB 3.44Å; E160-Y163 PolarHBondContact O-N 2.81Å; V161-Y163 VanDerWaalsContact C-N 3.26Å; V161-Y163 PolarHBondContact O-N 3Å; Y163-F165 VanDerWaalsContact C-N 3.27Å; Y163-F165 PolarHBondContact O-N 3.38Å; Y163-F166 HydrophobicContact CD2-CB 4.37Å; Y163-F166 AromaticContact CD2-CD1 3.91Å; Y163-F166 HydrophobicContact CD2-CD1 3.91Å; Y163-F166 AromaticContact CE2-CD1 3.64Å; Y163-F166 HydrophobicContact CE2-CD1 3.64Å; Y163-F166 HydrophobicContact CE2-CE1 4.13Å; Y163-F166 WeakPolarHBondContact O-CB 3.42Å; Y163-F166 PolarHBondContact O-N 3.29Å; Y163-F166 VanDerWaalsContact O-N 3.11Å; Y163-L167 HydrophobicContact CD1-CD1 4.17Å; Y163-L167 HydrophobicContact CD1-CG 4.39Å; Y163-L167 HydrophobicContact CE1-CD1 3.86Å; Y163-L167 HydrophobicContact CE1-CD2 4.15Å; Y163-L167 HydrophobicContact CE1-CG 4.06Å; Y163-L167 HydrophobicContact CE2-CD2 4.25Å; Y163-L167 HydrophobicContact CE2-CG 4.41Å; Y163-L167 WeakPolarHBondContact O-CG 3.28Å; Y163-L167 PolarHBondContact O-N 2.92Å
164	T	96.4	Very high	96.3	Very high	78 Å²	78	48 Å²	48	48%	0.479	24%	0.235	S	C	.	.	H	α-helix	trans	-59.8	-38.5	175.4	58.2	0	0	0	0	112.4	E160 V161 L167	E160-T164 PolarHBondContact O-N 3.14Å; V161-T164 PolarHBondContact O-N 3.09Å; V161-T164 PolarHBondContact O-OG1 2.98Å; T164-L167 PolarHBondContact O-N 3.25Å
165	F	97.1	Very high	96.4	Very high	116 Å²	116	48 Å²	48	51%	0.509	24%	0.235	S	C	.	.	H	α-helix	trans	-71.6	-35.2	174.3	-73.9	-65.5	0	0	0	113	F76 Y83 V161 P162 Y163 L167 E168 S169	F76-F165 HydrophobicContact CE2-CB 4.44Å; F76-F165 HydrophobicContact CZ-CB 3.75Å; Y83-F165 WeakPolarHBondContact OH-CD2 3.47Å; V161-F165 HydrophobicContact CG1-CD2 3.76Å; V161-F165 HydrophobicContact CG1-CE2 3.43Å; V161-F165 VanDerWaalsContact CG1-CE2 3.43Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.22Å; V161-F165 PolarHBondContact O-N 3.48Å; P162-F165 PolarHBondContact O-N 3.2Å; Y163-F165 VanDerWaalsContact C-N 3.27Å; Y163-F165 PolarHBondContact O-N 3.38Å; F165-L167 VanDerWaalsContact C-N 3.28Å; F165-L167 PolarHBondContact O-N 2.99Å; F165-E168 PolarHBondContact O-N 3.2Å; F165-S169 WeakPolarHBondContact O-CB 3.39Å; F165-S169 PolarHBondContact O-N 3.23Å
166	F	97.8	Very high	96.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-41.8	172.4	171.7	-99.7	0	0	0	111.4	V62 L72 F73 F76 P162 Y163 E168 S169 L172	V62-F166 HydrophobicContact CG1-CE1 4.03Å; V62-F166 HydrophobicContact CG1-CZ 4.46Å; L72-F166 HydrophobicContact CB-CE2 4.4Å; F73-F166 HydrophobicContact CB-CD2 4.37Å; F73-F166 HydrophobicContact CB-CE2 4.1Å; F73-F166 HydrophobicContact CB-CZ 4.4Å; F73-F166 HydrophobicContact CD2-CB 3.81Å; F73-F166 HydrophobicContact CD2-CD1 4.22Å; F73-F166 AromaticContact CD2-CD2 3.66Å; F73-F166 HydrophobicContact CD2-CD2 3.66Å; F73-F166 HydrophobicContact CD2-CE2 4.23Å; F73-F166 AromaticContact CD2-CG 3.63Å; F73-F166 HydrophobicContact CD2-CG 3.63Å; F73-F166 HydrophobicContact CE2-CB 3.86Å; F73-F166 HydrophobicContact CE2-CG 4.18Å; F76-F166 HydrophobicContact CB-CD2 3.88Å; F76-F166 HydrophobicContact CB-CE2 4.46Å; F76-F166 HydrophobicContact CD1-CB 3.88Å; F76-F166 HydrophobicContact CD1-CD2 4.07Å; F76-F166 HydrophobicContact CD1-CG 4.46Å; F76-F166 HydrophobicContact CE1-CB 3.87Å; F76-F166 HydrophobicContact CG-CB 4.35Å; F76-F166 AromaticContact CG-CD2 3.94Å; F76-F166 HydrophobicContact CG-CD2 3.94Å; F76-F166 HydrophobicContact CZ-CB 4.33Å; P162-F166 PolarHBondContact O-N 2.87Å; Y163-F166 HydrophobicContact CD2-CB 4.37Å; Y163-F166 AromaticContact CD2-CD1 3.91Å; Y163-F166 HydrophobicContact CD2-CD1 3.91Å; Y163-F166 AromaticContact CE2-CD1 3.64Å; Y163-F166 HydrophobicContact CE2-CD1 3.64Å; Y163-F166 HydrophobicContact CE2-CE1 4.13Å; Y163-F166 WeakPolarHBondContact O-CB 3.42Å; Y163-F166 PolarHBondContact O-N 3.29Å; Y163-F166 VanDerWaalsContact O-N 3.11Å; F166-E168 PolarHBondContact O-N 3.39Å; F166-S169 VanDerWaalsContact O-CB 3.31Å; F166-S169 WeakPolarHBondContact O-CB 3.42Å; F166-S169 PolarHBondContact O-N 2.67Å; F166-S169 PolarHBondContact O-OG 2.91Å; F166-L172 HydrophobicContact CE1-CB 4.37Å; F166-L172 HydrophobicContact CE1-CD1 4Å; F166-L172 WeakPolarHBondContact O-CB 3.47Å
167	L	97.1	Very high	96.5	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.188	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-26.2	179.8	-70.6	177.3	0	0	0	113.7	L57 Y163 T164 F165 L172	L57-L167 HydrophobicContact CB-CD2 4.4Å; Y163-L167 HydrophobicContact CD1-CD1 4.17Å; Y163-L167 HydrophobicContact CD1-CG 4.39Å; Y163-L167 HydrophobicContact CE1-CD1 3.86Å; Y163-L167 HydrophobicContact CE1-CD2 4.15Å; Y163-L167 HydrophobicContact CE1-CG 4.06Å; Y163-L167 HydrophobicContact CE2-CD2 4.25Å; Y163-L167 HydrophobicContact CE2-CG 4.41Å; Y163-L167 WeakPolarHBondContact O-CG 3.28Å; Y163-L167 PolarHBondContact O-N 2.92Å; T164-L167 PolarHBondContact O-N 3.25Å; F165-L167 VanDerWaalsContact C-N 3.28Å; F165-L167 PolarHBondContact O-N 2.99Å; L167-L172 HydrophobicContact CB-CD2 4.41Å; L167-L172 HydrophobicContact CD2-CD1 4.13Å; L167-L172 HydrophobicContact CD2-CD2 3.98Å; L167-L172 WeakPolarHBondContact O-CD2 3.21Å
168	E	95.6	Very high	96.7	Very high	132 Å²	132	40.2 Å²	40.2	62%	0.617	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-1	175.6	-62.2	-54.1	141.1	0	0	113.2	R52 F165 F166	R52-E168 IonicContact CZ-OE1 2.96Å; R52-E168 IonicContact NH1-OE1 3.39Å; R52-E168 IonicContact NH1-OE2 2.66Å; R52-E168 IonicContact NH2-OE1 3.97Å; R52-E168 PolarHBondContact NH2-OE1 2.99Å; F165-E168 PolarHBondContact O-N 3.2Å; F166-E168 PolarHBondContact O-N 3.39Å
169	S	95.4	Very high	96.7	Very high	18 Å²	18	40.8 Å²	40.8	13%	0.126	20%	0.199	C	C	.	.	S	Bend	trans	-85.8	166.4	-174.1	80.7	0	0	0	0	113.5	F165 F166 Y171 L172	F165-S169 WeakPolarHBondContact O-CB 3.39Å; F165-S169 PolarHBondContact O-N 3.23Å; F166-S169 VanDerWaalsContact O-CB 3.31Å; F166-S169 WeakPolarHBondContact O-CB 3.42Å; F166-S169 PolarHBondContact O-N 2.67Å; F166-S169 PolarHBondContact O-OG 2.91Å; S169-Y171 PolarHBondContact O-N 3.44Å; S169-Y171 WeakPolarHBondContact OG-CB 3.44Å; S169-Y171 PolarHBondContact OG-N 3.43Å; S169-Y171 VanDerWaalsContact OG-N 3.15Å; S169-L172 PolarHBondContact O-N 3.42Å
170	M	95.3	Very high	96.8	Very high	38 Å²	38	40.1 Å²	40.1	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-21.1	169.4	63.1	-171.5	-89	0	0	113.7	K173 R174 W535 L541	M170-K173 WeakPolarHBondContact O-CB 3.48Å; M170-K173 PolarHBondContact O-N 2.96Å; M170-R174 PolarHBondContact O-N 2.95Å; M170-W535 HydrophobicContact CE-CD2 3.93Å; M170-W535 HydrophobicContact CE-CE3 3.13Å; M170-W535 HydrophobicContact CE-CH2 4.04Å; M170-W535 HydrophobicContact CE-CZ3 3.2Å; M170-W535 HydrophobicContact CG-CZ3 4.43Å; M170-L541 HydrophobicContact CB-CD1 3.51Å; M170-L541 HydrophobicContact CE-CD1 4.16Å; M170-L541 HydrophobicContact CG-CD1 4.41Å; M170-L541 HydrophobicContact SD-CD1 4.11Å
171	Y	97.3	Very high	97	Very high	29 Å²	29	35.1 Å²	35.1	11%	0.114	17%	0.171	C	C	.	.	H	α-helix	trans	-71.6	-36.9	178.9	-59.6	-89.1	0	0	0	111.4	L72 E75 F76 S79 S169 R174 F175 W535	L72-Y171 HydrophobicContact CD2-CD1 4.39Å; E75-Y171 HydrophobicContact CB-CD1 4.21Å; E75-Y171 HydrophobicContact CB-CE1 3.83Å; F76-Y171 HydrophobicContact CB-CD1 4.3Å; F76-Y171 HydrophobicContact CB-CD2 3.57Å; F76-Y171 HydrophobicContact CB-CE2 3.88Å; F76-Y171 HydrophobicContact CB-CG 3.79Å; F76-Y171 AromaticContact CD2-CD2 3.77Å; F76-Y171 HydrophobicContact CD2-CD2 3.77Å; F76-Y171 AromaticContact CD2-CE2 3.97Å; F76-Y171 HydrophobicContact CD2-CE2 3.97Å; F76-Y171 HydrophobicContact CG-CD2 4.14Å; F76-Y171 HydrophobicContact CG-CE2 4.45Å; S79-Y171 VanDerWaalsContact CB-OH 3.3Å; S79-Y171 WeakPolarHBondContact CB-OH 3.19Å; S79-Y171 PolarHBondContact OG-OH 2.91Å; S169-Y171 PolarHBondContact O-N 3.44Å; S169-Y171 WeakPolarHBondContact OG-CB 3.44Å; S169-Y171 PolarHBondContact OG-N 3.43Å; S169-Y171 VanDerWaalsContact OG-N 3.15Å; Y171-R174 PolarHBondContact O-N 2.64Å; Y171-F175 PolarHBondContact O-N 2.98Å; Y171-W535 AromaticContact CD1-CH2 3.97Å; Y171-W535 HydrophobicContact CD1-CH2 3.97Å; Y171-W535 AromaticContact CD1-CZ2 3.59Å; Y171-W535 HydrophobicContact CD1-CZ2 3.59Å; Y171-W535 HydrophobicContact CE1-CH2 4.32Å; Y171-W535 AromaticContact CE1-CZ2 3.69Å; Y171-W535 HydrophobicContact CE1-CZ2 3.69Å
172	L	96.9	Very high	97.3	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-43.7	169.9	-176.9	72.3	0	0	0	110.6	L57 F166 L167 S169 R174 F175 L176	L57-L172 HydrophobicContact CD1-CD2 4.4Å; L57-L172 HydrophobicContact CD2-CD1 4.39Å; F166-L172 HydrophobicContact CE1-CB 4.37Å; F166-L172 HydrophobicContact CE1-CD1 4Å; F166-L172 WeakPolarHBondContact O-CB 3.47Å; L167-L172 HydrophobicContact CB-CD2 4.41Å; L167-L172 HydrophobicContact CD2-CD1 4.13Å; L167-L172 HydrophobicContact CD2-CD2 3.98Å; L167-L172 WeakPolarHBondContact O-CD2 3.21Å; S169-L172 PolarHBondContact O-N 3.42Å; L172-R174 VanDerWaalsContact C-N 3.25Å; L172-R174 PolarHBondContact O-N 2.81Å; L172-F175 HydrophobicContact CD1-CD1 4.07Å; L172-F175 CarbonylContact O-C 3.56Å; L172-F175 WeakPolarHBondContact O-CA 3.28Å; L172-F175 WeakPolarHBondContact O-CB 3.45Å; L172-F175 PolarHBondContact O-N 3.33Å; L172-L176 HydrophobicContact CG-CG 4.46Å; L172-L176 WeakPolarHBondContact O-CG 3.44Å; L172-L176 PolarHBondContact O-N 3.43Å
173	K	96.7	Very high	97.3	Very high	87 Å²	87	36.8 Å²	36.8	38%	0.378	18%	0.175	S	C	.	.	H	α-helix	trans	-57.2	-41.6	177.3	-63.2	-178.1	-178.8	178.8	0	111.8	I45 M170 L176 Q177 L545	I45-K173 HydrophobicContact CD1-CB 3.67Å; I45-K173 HydrophobicContact CD1-CG 4.17Å; I45-K173 HydrophobicContact CG1-CB 4.29Å; I45-K173 HydrophobicContact CG1-CD 4.38Å; I45-K173 HydrophobicContact CG1-CG 4.46Å; M170-K173 WeakPolarHBondContact O-CB 3.48Å; M170-K173 PolarHBondContact O-N 2.96Å; K173-L176 PolarHBondContact O-N 2.94Å; K173-Q177 PolarHBondContact O-N 2.97Å; K173-L545 HydrophobicContact CB-CD2 3.76Å
174	R	97.9	Very high	97.3	Very high	1 Å²	1	39 Å²	39	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-40.4	173.5	-179.7	51.3	61.3	88.2	-12.3	112.1	L72 M170 Y171 L172 L176 Q177 W178 N533 V534 W535 D544 L545	L72-R174 HydrophobicContact CD1-CB 4.44Å; L72-R174 HydrophobicContact CD1-CG 4.16Å; L72-R174 HydrophobicContact CD2-CB 4.31Å; L72-R174 HydrophobicContact CD2-CG 3.78Å; M170-R174 PolarHBondContact O-N 2.95Å; Y171-R174 PolarHBondContact O-N 2.64Å; L172-R174 VanDerWaalsContact C-N 3.25Å; L172-R174 PolarHBondContact O-N 2.81Å; R174-L176 VanDerWaalsContact C-N 3.32Å; R174-L176 PolarHBondContact O-N 3.11Å; R174-Q177 WeakPolarHBondContact O-CB 3.27Å; R174-Q177 PolarHBondContact O-N 3.28Å; R174-W178 VanDerWaalsContact O-CD1 3.24Å; R174-W178 PolarHBondContact O-N 3.24Å; R174-W178 VanDerWaalsContact O-N 3.12Å; R174-N533 VanDerWaalsContact CD-OD1 3.22Å; R174-N533 WeakPolarHBondContact CD-OD1 3.47Å; R174-N533 WeakPolarHBondContact CG-OD1 3.14Å; R174-N533 PolarHBondContact NH1-OD1 2.91Å; R174-V534 PolarHBondContact NH1-O 2.95Å; R174-V534 PolarHBondContact NH2-O 3.08Å; R174-W535 HydrophobicContact CB-CH2 3.55Å; R174-W535 HydrophobicContact CB-CZ2 4.42Å; R174-W535 HydrophobicContact CB-CZ3 4.16Å; R174-W535 HydrophobicContact CG-CH2 3.73Å; R174-W535 HydrophobicContact CG-CZ2 4.2Å; R174-W535 HydrophobicContact CG-CZ3 4.38Å; R174-D544 IonicContact CZ-OD2 3.93Å; R174-D544 IonicContact NE-OD2 2.72Å; R174-D544 IonicContact NH2-OD1 3.04Å; R174-D544 IonicContact NH2-OD2 2.66Å; R174-D544 PolarHBondContact NH2-OD2 3.26Å; R174-L545 HydrophobicContact CB-CD1 4.22Å
175	F	98.4	Very high	97.1	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-43.6	172.9	178	-107.7	0	0	0	111.5	L57 V62 I68 L72 Y171 L172 Q177 W178 K179	L57-F175 HydrophobicContact CD2-CE1 4.09Å; V62-F175 HydrophobicContact CB-CZ 4.5Å; V62-F175 HydrophobicContact CG1-CD1 4.23Å; V62-F175 HydrophobicContact CG1-CE1 3.93Å; V62-F175 HydrophobicContact CG1-CE2 4.27Å; V62-F175 HydrophobicContact CG1-CZ 3.94Å; V62-F175 HydrophobicContact CG2-CE1 4Å; V62-F175 HydrophobicContact CG2-CZ 4.2Å; I68-F175 HydrophobicContact CG2-CD2 4.39Å; L72-F175 HydrophobicContact CD1-CB 3.7Å; L72-F175 HydrophobicContact CD1-CD2 4.33Å; Y171-F175 PolarHBondContact O-N 2.98Å; L172-F175 HydrophobicContact CD1-CD1 4.07Å; L172-F175 CarbonylContact O-C 3.56Å; L172-F175 WeakPolarHBondContact O-CA 3.28Å; L172-F175 WeakPolarHBondContact O-CB 3.45Å; L172-F175 PolarHBondContact O-N 3.33Å; F175-Q177 VanDerWaalsContact C-N 3.33Å; F175-Q177 PolarHBondContact O-N 3.44Å; F175-W178 WeakPolarHBondContact O-CA 3.37Å; F175-W178 WeakPolarHBondContact O-CB 3.47Å; F175-W178 PolarHBondContact O-N 3Å; F175-W178 VanDerWaalsContact O-N 3.07Å; F175-K179 HydrophobicContact CD1-CG 4.01Å; F175-K179 HydrophobicContact CD2-CG 4.41Å; F175-K179 HydrophobicContact CE1-CD 4.07Å; F175-K179 HydrophobicContact CE1-CG 3.63Å; F175-K179 HydrophobicContact CE2-CD 3.9Å; F175-K179 HydrophobicContact CE2-CG 4.06Å; F175-K179 HydrophobicContact CG-CG 4.4Å; F175-K179 HydrophobicContact CZ-CD 3.58Å; F175-K179 HydrophobicContact CZ-CG 3.67Å; F175-K179 WeakPolarHBondContact O-CG 3.22Å; F175-K179 PolarHBondContact O-N 3.46Å
176	L	98.3	Very high	96.9	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.047	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-36.2	177	-62.3	178.4	0	0	0	112.9	C48 L51 R52 L55 L57 L172 K173 R174 W178 K179 W180	C48-L176 HydrophobicContact CB-CB 4.03Å; L51-L176 HydrophobicContact CB-CD2 4.23Å; R52-L176 HydrophobicContact CB-CD1 4.34Å; L55-L176 HydrophobicContact CD1-CD2 3.95Å; L57-L176 HydrophobicContact CD2-CD2 4.5Å; L172-L176 HydrophobicContact CG-CG 4.46Å; L172-L176 WeakPolarHBondContact O-CG 3.44Å; L172-L176 PolarHBondContact O-N 3.43Å; K173-L176 PolarHBondContact O-N 2.94Å; R174-L176 VanDerWaalsContact C-N 3.32Å; R174-L176 PolarHBondContact O-N 3.11Å; L176-W178 VanDerWaalsContact C-N 3.35Å; L176-K179 PolarHBondContact O-N 3.4Å; L176-W180 WeakPolarHBondContact O-CB 3.22Å; L176-W180 PolarHBondContact O-N 3.17Å
177	Q	98.4	Very high	96.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-41	171.7	-69.1	173.7	-52	0	0	112	L42 P43 K173 R174 F175 W180 L181 D544 L545	L42-Q177 HydrophobicContact CB-CB 4.19Å; L42-Q177 HydrophobicContact CD2-CB 4.03Å; L42-Q177 HydrophobicContact CG-CB 4.49Å; P43-Q177 HydrophobicContact CG-CG 4.48Å; P43-Q177 PolarHBondContact O-NE2 3.16Å; K173-Q177 PolarHBondContact O-N 2.97Å; R174-Q177 WeakPolarHBondContact O-CB 3.27Å; R174-Q177 PolarHBondContact O-N 3.28Å; F175-Q177 VanDerWaalsContact C-N 3.33Å; F175-Q177 PolarHBondContact O-N 3.44Å; Q177-W180 PolarHBondContact O-N 3.18Å; Q177-L181 PolarHBondContact O-N 3.29Å; Q177-D544 PolarHBondContact NE2-O 3.41Å; Q177-D544 PolarHBondContact NE2-OD2 3.36Å; Q177-D544 PolarHBondContact OE1-OD2 2.85Å; Q177-L545 HydrophobicContact CG-CD2 4.14Å
178	W	98.6	Very high	96.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-65.5	-42.8	175.3	-80.6	109	0	0	0	112	L42 I68 R174 F175 L176 W180 L181 E182 W519 M523 I528 Y529 L532 N533	L42-W178 HydrophobicContact CD1-CZ2 4.42Å; L42-W178 HydrophobicContact CD2-CD2 3.78Å; L42-W178 HydrophobicContact CD2-CE3 4.12Å; L42-W178 HydrophobicContact CD2-CG 4.09Å; L42-W178 HydrophobicContact CD2-CZ2 4.25Å; L42-W178 HydrophobicContact CD2-CZ3 4.49Å; I68-W178 HydrophobicContact CD1-CD2 3.83Å; I68-W178 HydrophobicContact CD1-CE3 3.67Å; I68-W178 HydrophobicContact CD1-CG 4.2Å; I68-W178 HydrophobicContact CD1-CZ3 4.2Å; I68-W178 HydrophobicContact CG2-CB 4.02Å; I68-W178 HydrophobicContact CG2-CD2 4.39Å; I68-W178 HydrophobicContact CG2-CG 3.82Å; R174-W178 VanDerWaalsContact O-CD1 3.24Å; R174-W178 PolarHBondContact O-N 3.24Å; R174-W178 VanDerWaalsContact O-N 3.12Å; F175-W178 WeakPolarHBondContact O-CA 3.37Å; F175-W178 WeakPolarHBondContact O-CB 3.47Å; F175-W178 PolarHBondContact O-N 3Å; F175-W178 VanDerWaalsContact O-N 3.07Å; L176-W178 VanDerWaalsContact C-N 3.35Å; W178-W180 VanDerWaalsContact C-N 3.33Å; W178-W180 PolarHBondContact O-N 3.22Å; W178-L181 HydrophobicContact CE3-CD2 4.27Å; W178-L181 HydrophobicContact CZ3-CD2 4.05Å; W178-L181 PolarHBondContact O-N 3.39Å; W178-E182 WeakPolarHBondContact O-CB 3.32Å; W178-E182 PolarHBondContact O-N 3.18Å; W178-W519 AromaticContact CE3-CH2 3.91Å; W178-W519 HydrophobicContact CE3-CH2 3.91Å; W178-W519 HydrophobicContact CE3-CZ3 4.08Å; W178-W519 HydrophobicContact CZ3-CH2 4.17Å; W178-M523 HydrophobicContact CZ3-CB 4.18Å; W178-M523 HydrophobicContact CZ3-CG 3.94Å; W178-M523 HydrophobicContact CZ3-SD 4.36Å; W178-I528 HydrophobicContact CH2-CG2 4.41Å; W178-Y529 HydrophobicContact CD2-CD2 4.35Å; W178-Y529 AromaticContact CE2-CD2 3.6Å; W178-Y529 AromaticContact CE2-CE2 3.89Å; W178-Y529 HydrophobicContact CH2-CD2 4.13Å; W178-Y529 AromaticContact CZ2-CD2 3.48Å; W178-Y529 HydrophobicContact CZ2-CD2 3.48Å; W178-Y529 VanDerWaalsContact CZ2-CD2 3.48Å; W178-Y529 HydrophobicContact CZ2-CE2 4.16Å; W178-Y529 HydrophobicContact CZ2-CG 4.2Å; W178-Y529 AromaticContact NE1-CD2 3.83Å; W178-Y529 AromaticContact NE1-CE2 3.61Å; W178-L532 HydrophobicContact CH2-CB 3.9Å; W178-L532 HydrophobicContact CH2-CD1 4.01Å; W178-L532 HydrophobicContact CH2-CG 4.46Å; W178-L532 HydrophobicContact CZ2-CB 3.91Å; W178-N533 HydrophobicContact CZ2-CB 4.22Å
179	K	98.4	Very high	96.7	Very high	13 Å²	13	37.3 Å²	37.3	6%	0.057	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-40	174.2	-66.8	-55.5	-58.5	-176.6	0	112	L55 F175 L176 L181 E182 M183	L55-K179 HydrophobicContact CD1-CB 3.81Å; L55-K179 HydrophobicContact CD1-CG 3.92Å; F175-K179 HydrophobicContact CD1-CG 4.01Å; F175-K179 HydrophobicContact CD2-CG 4.41Å; F175-K179 HydrophobicContact CE1-CD 4.07Å; F175-K179 HydrophobicContact CE1-CG 3.63Å; F175-K179 HydrophobicContact CE2-CD 3.9Å; F175-K179 HydrophobicContact CE2-CG 4.06Å; F175-K179 HydrophobicContact CG-CG 4.4Å; F175-K179 HydrophobicContact CZ-CD 3.58Å; F175-K179 HydrophobicContact CZ-CG 3.67Å; F175-K179 WeakPolarHBondContact O-CG 3.22Å; F175-K179 PolarHBondContact O-N 3.46Å; L176-K179 PolarHBondContact O-N 3.4Å; K179-L181 VanDerWaalsContact C-N 3.32Å; K179-L181 PolarHBondContact O-N 3.26Å; K179-E182 WeakPolarHBondContact CE-OE1 3.23Å; K179-E182 IonicContact NZ-OE1 3.84Å; K179-E182 PolarHBondContact NZ-OE1 2.97Å; K179-E182 IonicContact NZ-OE2 2.73Å; K179-E182 PolarHBondContact NZ-OE2 3.05Å; K179-E182 WeakPolarHBondContact O-CB 3.44Å; K179-E182 PolarHBondContact O-N 2.81Å; K179-M183 VanDerWaalsContact O-CG 3.24Å; K179-M183 WeakPolarHBondContact O-CG 3.29Å; K179-M183 PolarHBondContact O-N 2.94Å
180	W	98.2	Very high	96.8	Very high	67 Å²	67	37.5 Å²	37.5	25%	0.254	19%	0.189	S	C	.	.	H	α-helix	trans	-59.9	-44.2	173.4	-176.9	90.8	0	0	0	112	P43 V47 L51 L176 Q177 W178 M183 Q184	P43-W180 HydrophobicContact CB-CD2 4.1Å; P43-W180 HydrophobicContact CB-CE3 3.9Å; P43-W180 HydrophobicContact CB-CH2 4.32Å; P43-W180 HydrophobicContact CB-CZ2 4.5Å; P43-W180 HydrophobicContact CB-CZ3 4.02Å; P43-W180 VanDerWaalsContact CD-CE3 3.49Å; P43-W180 HydrophobicContact CG-CB 4.14Å; P43-W180 HydrophobicContact CG-CD2 3.58Å; P43-W180 HydrophobicContact CG-CE3 3.42Å; P43-W180 VanDerWaalsContact CG-CE3 3.42Å; P43-W180 HydrophobicContact CG-CG 3.89Å; P43-W180 HydrophobicContact CG-CZ3 4.03Å; V47-W180 HydrophobicContact CG1-CZ2 4.14Å; L51-W180 HydrophobicContact CD1-CB 3.7Å; L51-W180 HydrophobicContact CD1-CG 4.45Å; L176-W180 WeakPolarHBondContact O-CB 3.22Å; L176-W180 PolarHBondContact O-N 3.17Å; Q177-W180 PolarHBondContact O-N 3.18Å; W178-W180 VanDerWaalsContact C-N 3.33Å; W178-W180 PolarHBondContact O-N 3.22Å; W180-M183 PolarHBondContact O-N 3.19Å; W180-Q184 HydrophobicContact CE3-CG 4.05Å; W180-Q184 HydrophobicContact CH2-CG 4Å; W180-Q184 HydrophobicContact CZ2-CG 4.48Å; W180-Q184 HydrophobicContact CZ3-CG 3.76Å; W180-Q184 WeakPolarHBondContact O-CG 3.29Å; W180-Q184 PolarHBondContact O-N 2.88Å; W180-Q184 PolarHBondContact O-NE2 3.25Å
181	L	98.2	Very high	96.9	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.047	18%	0.183	C	C	.	.	H	α-helix	trans	-65.5	-40.8	178.8	-177.5	59.2	0	0	0	111.4	L40 L42 Q177 W178 K179 M183 Q184 W519 L532	L40-L181 HydrophobicContact CD2-CD1 4.31Å; L42-L181 HydrophobicContact CD2-CD2 4.27Å; Q177-L181 PolarHBondContact O-N 3.29Å; W178-L181 HydrophobicContact CE3-CD2 4.27Å; W178-L181 HydrophobicContact CZ3-CD2 4.05Å; W178-L181 PolarHBondContact O-N 3.39Å; K179-L181 VanDerWaalsContact C-N 3.32Å; K179-L181 PolarHBondContact O-N 3.26Å; L181-M183 PolarHBondContact O-N 2.7Å; L181-Q184 HydrophobicContact CD1-CG 4.37Å; L181-Q184 WeakPolarHBondContact O-CB 3.28Å; L181-Q184 WeakPolarHBondContact O-CG 3.37Å; L181-Q184 PolarHBondContact O-N 3.22Å; L181-Q184 VanDerWaalsContact O-N 3.17Å; L181-W519 HydrophobicContact CB-CH2 4.16Å; L181-W519 HydrophobicContact CD2-CH2 4.14Å; L181-W519 HydrophobicContact CD2-CZ2 4.38Å; L181-W519 HydrophobicContact CG-CH2 3.92Å; L181-W519 HydrophobicContact CG-CZ2 3.98Å; L181-L532 HydrophobicContact CD2-CD1 4.39Å
182	E	98.1	Very high	96.7	Very high	11 Å²	11	38.9 Å²	38.9	5%	0.051	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-31.5	173.2	-170.9	-164.5	97.1	0	0	112.2	W178 K179 Q184 N514 P516 W519 Q520	W178-E182 WeakPolarHBondContact O-CB 3.32Å; W178-E182 PolarHBondContact O-N 3.18Å; K179-E182 WeakPolarHBondContact CE-OE1 3.23Å; K179-E182 IonicContact NZ-OE1 3.84Å; K179-E182 PolarHBondContact NZ-OE1 2.97Å; K179-E182 IonicContact NZ-OE2 2.73Å; K179-E182 PolarHBondContact NZ-OE2 3.05Å; K179-E182 WeakPolarHBondContact O-CB 3.44Å; K179-E182 PolarHBondContact O-N 2.81Å; E182-Q184 VanDerWaalsContact C-N 3.28Å; E182-Q184 PolarHBondContact O-N 2.94Å; E182-N514 HydrophobicContact CG-CB 4.41Å; E182-N514 WeakPolarHBondContact O-CB 3.28Å; E182-N514 PolarHBondContact O-ND2 3.45Å; E182-P516 WeakPolarHBondContact OE1-CB 3.47Å; E182-P516 WeakPolarHBondContact OE1-CG 3.21Å; E182-P516 WeakPolarHBondContact OE2-CA 3.44Å; E182-W519 HydrophobicContact CB-CD2 4.11Å; E182-W519 HydrophobicContact CB-CE3 3.7Å; E182-W519 HydrophobicContact CB-CH2 4Å; E182-W519 HydrophobicContact CB-CZ2 4.38Å; E182-W519 HydrophobicContact CB-CZ3 3.64Å; E182-W519 HydrophobicContact CG-CD2 3.8Å; E182-W519 HydrophobicContact CG-CE3 3.58Å; E182-W519 HydrophobicContact CG-CG 4.21Å; E182-W519 HydrophobicContact CG-CZ3 4.08Å; E182-Q520 PolarHBondContact OE2-NE2 3.32Å
183	M	96.4	Very high	96.5	Very high	107 Å²	107	42.3 Å²	42.3	53%	0.527	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.1	178.7	-68.3	172	74.7	0	0	113.7	L51 L55 K179 W180 L181	L51-M183 HydrophobicContact CD2-CE 4.26Å; L51-M183 HydrophobicContact CD2-SD 3.84Å; L55-M183 HydrophobicContact CD2-SD 4.5Å; K179-M183 VanDerWaalsContact O-CG 3.24Å; K179-M183 WeakPolarHBondContact O-CG 3.29Å; K179-M183 PolarHBondContact O-N 2.94Å; W180-M183 PolarHBondContact O-N 3.19Å; L181-M183 PolarHBondContact O-N 2.7Å
184	Q	96.3	Very high	96	Very high	61 Å²	61	40.6 Å²	40.6	29%	0.285	21%	0.209	S	C	.	.	S	Bend	trans	-72.2	144	179.3	-63	-48.8	-65.6	0	0	112	W180 L181 E182 V186 N514	W180-Q184 HydrophobicContact CE3-CG 4.05Å; W180-Q184 HydrophobicContact CH2-CG 4Å; W180-Q184 HydrophobicContact CZ2-CG 4.48Å; W180-Q184 HydrophobicContact CZ3-CG 3.76Å; W180-Q184 WeakPolarHBondContact O-CG 3.29Å; W180-Q184 PolarHBondContact O-N 2.88Å; W180-Q184 PolarHBondContact O-NE2 3.25Å; L181-Q184 HydrophobicContact CD1-CG 4.37Å; L181-Q184 WeakPolarHBondContact O-CB 3.28Å; L181-Q184 WeakPolarHBondContact O-CG 3.37Å; L181-Q184 PolarHBondContact O-N 3.22Å; L181-Q184 VanDerWaalsContact O-N 3.17Å; E182-Q184 VanDerWaalsContact C-N 3.28Å; E182-Q184 PolarHBondContact O-N 2.94Å; Q184-V186 PolarHBondContact O-N 3.35Å; Q184-N514 PolarHBondContact O-ND2 3.42Å
185	P	93.1	Very high	95.5	Very high	106 Å²	106	40.8 Å²	40.8	69%	0.688	21%	0.21	S	C	*	.			trans	-65.1	126.5	-176.1	25.7	-34.3	0	0	0	111.7	W190	P185-W190 PolarHBondContact O-NE1 3.03Å
186	V	91.6	Very high	95	Very high	15 Å²	15	42 Å²	42	9%	0.091	22%	0.217	C	C	.	.			trans	-119.8	121.7	172.6	175.2	0	0	0	0	108.2	Q184 W190 F191 M210 Y256 N514	Q184-V186 PolarHBondContact O-N 3.35Å; V186-W190 HydrophobicContact CG1-CB 3.83Å; V186-W190 HydrophobicContact CG1-CD2 4.4Å; V186-W190 HydrophobicContact CG1-CG 3.83Å; V186-W190 HydrophobicContact CG2-CD2 4.38Å; V186-F191 HydrophobicContact CG1-CE2 3.65Å; V186-F191 HydrophobicContact CG1-CZ 4.03Å; V186-M210 HydrophobicContact CG1-CE 4.21Å; V186-Y256 HydrophobicContact CB-CD1 4.22Å; V186-Y256 HydrophobicContact CB-CE1 4.38Å; V186-Y256 HydrophobicContact CG1-CD1 3.81Å; V186-Y256 HydrophobicContact CG1-CE1 3.93Å; V186-Y256 HydrophobicContact CG2-CE1 4.39Å; V186-N514 VanDerWaalsContact CB-OD1 3.32Å; V186-N514 WeakPolarHBondContact CB-OD1 3.36Å; V186-N514 VanDerWaalsContact CG2-OD1 3.25Å; V186-N514 WeakPolarHBondContact CG2-OD1 3.45Å
187	G	93.1	Very high	94.5	Very high	21 Å²	21	43.5 Å²	43.5	22%	0.216	23%	0.225	C	C	.	.			trans	-128.3	-165.6	179.5	0	0	0	0	0	112.2	D189 W190	G187-D189 PolarHBondContact O-N 3.13Å; G187-D189 VanDerWaalsContact O-N 3.1Å; G187-W190 PolarHBondContact O-N 3.42Å; G187-W190 VanDerWaalsContact O-N 3.15Å
188	E	96.7	Very high	93.8	Very high	120 Å²	120	44.7 Å²	44.7	56%	0.561	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-57	-29.8	-175.1	67	-173.3	155.2	0	0	114.1	W190 F191 F258 T260	E188-W190 PolarHBondContact O-N 3.26Å; E188-F191 PolarHBondContact O-N 3.37Å; E188-F258 HydrophobicContact CB-CE2 3.93Å; E188-T260 HydrophobicContact CB-CG2 3.93Å; E188-T260 HydrophobicContact CG-CG2 4.45Å; E188-T260 WeakPolarHBondContact OE2-CB 3.25Å; E188-T260 VanDerWaalsContact OE2-CG2 3.27Å; E188-T260 WeakPolarHBondContact OE2-CG2 3.32Å
189	D	96.8	Very high	93.1	Very high	64 Å²	64	48.1 Å²	48.1	34%	0.342	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-68.1	-23.1	-176.7	76.4	-56.3	0	0	0	112.9	Y36 R39 G187 F191 K211	Y36-D189 WeakPolarHBondContact CE1-O 3.45Å; Y36-D189 VanDerWaalsContact CE1-OD2 3.29Å; Y36-D189 WeakPolarHBondContact CE1-OD2 3.41Å; Y36-D189 WeakPolarHBondContact OH-CB 3.4Å; Y36-D189 PolarHBondContact OH-O 2.6Å; Y36-D189 PolarHBondContact OH-OD2 2.85Å; R39-D189 IonicContact NH1-OD2 3.06Å; R39-D189 PolarHBondContact NH1-OD2 3.39Å; R39-D189 VanDerWaalsContact NH1-OD2 3.1Å; G187-D189 PolarHBondContact O-N 3.13Å; G187-D189 VanDerWaalsContact O-N 3.1Å; D189-F191 VanDerWaalsContact C-N 3.3Å; D189-F191 PolarHBondContact O-N 3.43Å; D189-K211 WeakPolarHBondContact O-CD 3.42Å; D189-K211 PolarHBondContact O-NZ 3.35Å
190	W	97.7	Very high	92.2	Very high	23 Å²	23	49.6 Å²	49.6	9%	0.087	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-76.1	-15.5	177.1	-71.8	82.5	0	0	0	113.8	Y36 R39 L40 P185 V186 G187 E188 M210 K211	Y36-W190 HydrophobicContact CD1-CB 4.47Å; Y36-W190 AromaticContact CD1-CD2 3.61Å; Y36-W190 HydrophobicContact CD1-CD2 3.61Å; Y36-W190 AromaticContact CD1-CE3 3.52Å; Y36-W190 HydrophobicContact CD1-CE3 3.52Å; Y36-W190 HydrophobicContact CD1-CG 4.01Å; Y36-W190 HydrophobicContact CD1-CZ3 4.07Å; Y36-W190 HydrophobicContact CE1-CB 4.38Å; Y36-W190 AromaticContact CE1-CD2 3.95Å; Y36-W190 HydrophobicContact CE1-CD2 3.95Å; Y36-W190 HydrophobicContact CE1-CE3 4.33Å; Y36-W190 AromaticContact CE1-CG 3.93Å; Y36-W190 HydrophobicContact CE1-CG 3.93Å; Y36-W190 HydrophobicContact CG-CE3 4.41Å; R39-W190 HydrophobicContact CB-CH2 3.74Å; R39-W190 HydrophobicContact CB-CZ2 4.34Å; L40-W190 HydrophobicContact CD2-CH2 4.12Å; L40-W190 HydrophobicContact CD2-CZ3 4.01Å; L40-W190 HydrophobicContact CG-CZ3 4.39Å; P185-W190 PolarHBondContact O-NE1 3.03Å; V186-W190 HydrophobicContact CG1-CB 3.83Å; V186-W190 HydrophobicContact CG1-CD2 4.4Å; V186-W190 HydrophobicContact CG1-CG 3.83Å; V186-W190 HydrophobicContact CG2-CD2 4.38Å; G187-W190 PolarHBondContact O-N 3.42Å; G187-W190 VanDerWaalsContact O-N 3.15Å; E188-W190 PolarHBondContact O-N 3.26Å; W190-M210 HydrophobicContact CB-CE 4Å; W190-M210 HydrophobicContact CB-SD 3.78Å; W190-M210 HydrophobicContact CD2-CE 3.83Å; W190-M210 HydrophobicContact CD2-SD 4.47Å; W190-M210 HydrophobicContact CE3-CE 3.19Å; W190-M210 HydrophobicContact CE3-SD 3.84Å; W190-M210 HydrophobicContact CG-CE 4.21Å; W190-M210 HydrophobicContact CZ3-CE 3.88Å; W190-M210 VanDerWaalsContact O-SD 3.34Å; W190-K211 VanDerWaalsContact O-CB 3.28Å; W190-K211 WeakPolarHBondContact O-CB 3.4Å; W190-K211 VanDerWaalsContact O-CG 3.29Å; W190-K211 WeakPolarHBondContact O-CG 3.46Å; W190-K211 PolarHBondContact O-N 3.46Å
191	F	96.9	Very high	91.3	Very high	14 Å²	14	48.4 Å²	48.4	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.3	-177	-62	-82.1	0	0	0	111.9	V186 E188 D189 C208 Q209 M210 K211 Y256 F258 V267	V186-F191 HydrophobicContact CG1-CE2 3.65Å; V186-F191 HydrophobicContact CG1-CZ 4.03Å; E188-F191 PolarHBondContact O-N 3.37Å; D189-F191 VanDerWaalsContact C-N 3.3Å; D189-F191 PolarHBondContact O-N 3.43Å; F191-C208 HydrophobicContact CB-CB 4.45Å; F191-Q209 WeakPolarHBondContact CA-O 3.37Å; F191-M210 HydrophobicContact CD1-CB 4.33Å; F191-M210 HydrophobicContact CE1-CB 3.98Å; F191-M210 HydrophobicContact CE1-CG 4.5Å; F191-M210 HydrophobicContact CE1-SD 4.38Å; F191-K211 WeakPolarHBondContact O-CE 3.47Å; F191-K211 PolarHBondContact O-NZ 3.08Å; F191-K211 VanDerWaalsContact O-NZ 3.11Å; F191-Y256 HydrophobicContact CE1-CD2 4.17Å; F191-Y256 HydrophobicContact CE1-CE2 4.26Å; F191-Y256 HydrophobicContact CE2-CG 4.48Å; F191-Y256 AromaticContact CZ-CD1 3.97Å; F191-Y256 HydrophobicContact CZ-CD1 3.97Å; F191-Y256 AromaticContact CZ-CD2 3.69Å; F191-Y256 HydrophobicContact CZ-CD2 3.69Å; F191-Y256 HydrophobicContact CZ-CE1 4.23Å; F191-Y256 AromaticContact CZ-CE2 4Å; F191-Y256 HydrophobicContact CZ-CE2 4Å; F191-Y256 AromaticContact CZ-CG 3.7Å; F191-Y256 HydrophobicContact CZ-CG 3.7Å; F191-F258 AromaticContact CD2-CE1 3.72Å; F191-F258 HydrophobicContact CD2-CE1 3.72Å; F191-F258 AromaticContact CD2-CZ 3.94Å; F191-F258 HydrophobicContact CD2-CZ 3.94Å; F191-F258 HydrophobicContact CE2-CD1 4.2Å; F191-F258 AromaticContact CE2-CE1 3.54Å; F191-F258 HydrophobicContact CE2-CE1 3.54Å; F191-F258 HydrophobicContact CE2-CZ 4.24Å; F191-F258 HydrophobicContact CZ-CE1 4.45Å; F191-V267 HydrophobicContact CE1-CG1 3.85Å; F191-V267 HydrophobicContact CE1-CG2 4.15Å; F191-V267 HydrophobicContact CE2-CG2 4.2Å; F191-V267 HydrophobicContact CZ-CG1 4.25Å; F191-V267 HydrophobicContact CZ-CG2 3.96Å
192	L	94.3	Very high	90.8	Very high	81 Å²	81	51.2 Å²	51.2	42%	0.424	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.5	169.3	178.7	61.7	0	0	0	108.5	F194 C208 Q209 K211	L192-F194 HydrophobicContact CB-CE2 4.49Å; L192-F194 HydrophobicContact CB-CZ 4.49Å; L192-F194 HydrophobicContact CD2-CE1 4.08Å; L192-F194 HydrophobicContact CD2-CZ 3.81Å; L192-F194 HydrophobicContact CG-CE1 4.42Å; L192-F194 HydrophobicContact CG-CE2 4.34Å; L192-F194 HydrophobicContact CG-CZ 4.04Å; L192-F194 WeakPolarHBondContact O-CD2 3.46Å; L192-F194 VanDerWaalsContact O-CE2 3.23Å; L192-F194 WeakPolarHBondContact O-CE2 3.06Å; L192-C208 CarbonylContact O-C 3.16Å; L192-C208 WeakPolarHBondContact O-CA 3.21Å; L192-C208 WeakPolarHBondContact O-CB 3.37Å; L192-Q209 PolarHBondContact N-O 3.22Å; L192-Q209 PolarHBondContact O-N 3.11Å; L192-K211 HydrophobicContact CB-CG 4.32Å
193	D	92.5	Very high	90.4	Very high	76 Å²	76	51 Å²	51	41%	0.406	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	146.1	175.5	-63.5	-52.3	0	0	0	111.8	K221	D193-K221 IonicContact OD1-NZ 2.64Å; D193-K221 PolarHBondContact OD1-NZ 2.96Å; D193-K221 IonicContact OD2-NZ 3.68Å; D193-K221 PolarHBondContact OD2-NZ 3.14Å
194	F	86.8	Confident	90.2	Very high	51 Å²	51	48.3 Å²	48.3	22%	0.224	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-66.2	178.7	-60.8	-89.8	0	0	0	112.8	Y15 A18 L192 A207 Q209 L216	Y15-F194 HydrophobicContact CD2-CB 4.45Å; A18-F194 HydrophobicContact CB-CD1 3.83Å; A18-F194 HydrophobicContact CB-CE1 3.56Å; A18-F194 HydrophobicContact CB-CE2 4.31Å; A18-F194 HydrophobicContact CB-CG 4.3Å; A18-F194 HydrophobicContact CB-CZ 3.82Å; L192-F194 HydrophobicContact CB-CE2 4.49Å; L192-F194 HydrophobicContact CB-CZ 4.49Å; L192-F194 HydrophobicContact CD2-CE1 4.08Å; L192-F194 HydrophobicContact CD2-CZ 3.81Å; L192-F194 HydrophobicContact CG-CE1 4.42Å; L192-F194 HydrophobicContact CG-CE2 4.34Å; L192-F194 HydrophobicContact CG-CZ 4.04Å; L192-F194 WeakPolarHBondContact O-CD2 3.46Å; L192-F194 VanDerWaalsContact O-CE2 3.23Å; L192-F194 WeakPolarHBondContact O-CE2 3.06Å; F194-A207 PolarHBondContact N-O 3.5Å; F194-Q209 HydrophobicContact CE2-CB 3.45Å; F194-Q209 VanDerWaalsContact CE2-CB 3.45Å; F194-Q209 HydrophobicContact CZ-CB 3.85Å; F194-L216 HydrophobicContact CE2-CD2 4.2Å
195	R	85.9	Confident	90	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	137.4	-170.7	174	177.6	171.3	-176.4	-4.1	110.8	A11 N12 Y15 L197 S206 A207 V480 K483	A11-R195 HydrophobicContact CB-CB 4.44Å; A11-R195 HydrophobicContact CB-CG 4.37Å; N12-R195 PolarHBondContact ND2-NH1 3.14Å; N12-R195 WeakPolarHBondContact OD1-CD 3.28Å; N12-R195 PolarHBondContact OD1-NE 3.11Å; N12-R195 PolarHBondContact OD1-NH1 2.88Å; Y15-R195 HydrophobicContact CG-CB 4.21Å; R195-L197 PolarHBondContact O-N 3.2Å; R195-S206 CarbonylContact O-C 3.58Å; R195-S206 VanDerWaalsContact O-CA 3.3Å; R195-S206 WeakPolarHBondContact O-CA 3.19Å; R195-A207 PolarHBondContact O-N 2.85Å; R195-V480 VanDerWaalsContact CZ-CG1 3.44Å; R195-V480 VanDerWaalsContact NH1-CG2 3.26Å; R195-K483 PolarHBondContact NH2-O 2.76Å
196	V	88.9	Confident	90	Very high	26 Å²	26	42.4 Å²	42.4	16%	0.158	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	121.2	167.3	-179.3	0	0	0	0	109.5	K199 E204 V205 L485	V196-K199 HydrophobicContact CG1-CG 4.43Å; V196-E204 HydrophobicContact CG1-CB 4.2Å; V196-V205 CarbonylContact C-O 3.51Å; V196-L485 HydrophobicContact CB-CD2 3.89Å
197	L	86.7	Confident	90.1	Very high	42 Å²	42	41.7 Å²	41.7	22%	0.22	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-32.6	178.4	-58.8	178.7	0	0	0	111.6	Y15 R195 V205 A207 A218 I270	Y15-L197 HydrophobicContact CE1-CD2 4.09Å; R195-L197 PolarHBondContact O-N 3.2Å; L197-V205 PolarHBondContact N-O 3.45Å; L197-A207 HydrophobicContact CD1-CB 4.12Å; L197-A207 HydrophobicContact CD2-CB 4.23Å; L197-A207 HydrophobicContact CG-CB 4.22Å; L197-A218 HydrophobicContact CD1-CB 4.35Å; L197-I270 HydrophobicContact CD1-CG1 4.48Å
198	G	84.9	Confident	90.2	Very high	24 Å²	24	40.7 Å²	40.7	25%	0.247	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	167.2	179.2	0	0	0	0	0	113.4	E204 V205	G198-E204 WeakPolarHBondContact O-CA 3.26Å; G198-V205 PolarHBondContact N-O 3.31Å; G198-V205 PolarHBondContact O-N 2.93Å
199	K	84.3	Confident	90.1	Very high	75 Å²	75	35.7 Å²	35.7	33%	0.326	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.7	173.1	-74.8	-179.8	-171.6	155.7	0	110.7	V196 E204 V488 G489 F491	V196-K199 HydrophobicContact CG1-CG 4.43Å; K199-E204 HydrophobicContact CG-CB 3.8Å; K199-V488 HydrophobicContact CB-CG1 3.66Å; K199-V488 HydrophobicContact CD-CB 4.14Å; K199-V488 HydrophobicContact CD-CG1 3.52Å; K199-V488 WeakPolarHBondContact CD-O 3.04Å; K199-V488 HydrophobicContact CG-CB 4.49Å; K199-V488 HydrophobicContact CG-CG1 3.39Å; K199-G489 WeakPolarHBondContact CD-O 3.28Å; K199-G489 PolarHBondContact NZ-O 3.44Å; K199-F491 HydrophobicContact CB-CE2 3.97Å; K199-F491 HydrophobicContact CB-CZ 3.83Å; K199-F491 HydrophobicContact CD-CD2 3.86Å; K199-F491 HydrophobicContact CD-CE2 3.53Å; K199-F491 HydrophobicContact CD-CZ 4.09Å; K199-F491 HydrophobicContact CG-CD2 4.44Å; K199-F491 HydrophobicContact CG-CE2 3.64Å; K199-F491 HydrophobicContact CG-CZ 4.05Å
200	G	78.9	Confident	90.1	Very high	43 Å²	43	32.7 Å²	32.7	44%	0.443	19%	0.191	S	C	.	.			trans	-112.3	-172	177.1	0	0	0	0	0	112.8	F202 G203 F491	G200-F202 VanDerWaalsContact C-N 3.27Å; G200-F202 PolarHBondContact O-N 2.98Å; G200-G203 PolarHBondContact N-O 3.4Å; G200-F491 VanDerWaalsContact O-CZ 3.23Å; G200-F491 WeakPolarHBondContact O-CZ 3.04Å
201	G	79.4	Confident	90	Very high	42 Å²	42	33.7 Å²	33.7	43%	0.433	20%	0.196	S	C	.	.	S	Bend	trans	-63.7	-28.3	-176.8	0	0	0	0	0	114.8	R230	G201-R230 PolarHBondContact O-NH1 3.24Å
202	F	86.9	Confident	89.9	Confident	68 Å²	68	33 Å²	33	30%	0.298	19%	0.193	S	C	.	.	S	Bend	trans	-111.4	-11.4	-172.3	-59.3	-71.9	0	0	0	114.1	G200 L222 N223 L227 R230	G200-F202 VanDerWaalsContact C-N 3.27Å; G200-F202 PolarHBondContact O-N 2.98Å; F202-L222 HydrophobicContact CB-CB 4.5Å; F202-L222 HydrophobicContact CB-CD2 3.9Å; F202-N223 WeakPolarHBondContact O-CB 3.41Å; F202-N223 PolarHBondContact O-N 3.45Å; F202-L227 HydrophobicContact CB-CD2 4.16Å; F202-L227 HydrophobicContact CD1-CD2 3.68Å; F202-L227 HydrophobicContact CD1-CG 4.32Å; F202-L227 HydrophobicContact CD2-CD2 4.4Å; F202-L227 HydrophobicContact CE1-CD2 4.13Å; F202-L227 HydrophobicContact CG-CD2 3.83Å; F202-R230 HydrophobicContact CE1-CB 3.8Å
203	G	89.9	Confident	90	Very high	8 Å²	8	29.2 Å²	29.2	8%	0.082	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-146.5	-178.9	0	0	0	0	0	111.5	G200 K221 F491	G200-G203 PolarHBondContact N-O 3.4Å; G203-K221 CarbonylContact C-O 3.49Å; G203-K221 VanDerWaalsContact CA-O 3.25Å; G203-K221 WeakPolarHBondContact CA-O 3.47Å; G203-F491 WeakPolarHBondContact O-CE2 3.32Å; G203-F491 WeakPolarHBondContact O-CZ 3.35Å
204	E	92	Very high	89.9	Confident	49 Å²	49	25.8 Å²	25.8	23%	0.229	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.2	-170.5	69.3	-172.7	-160.1	0	0	112.7	V196 G198 K199 K221 F491	V196-E204 HydrophobicContact CG1-CB 4.2Å; G198-E204 WeakPolarHBondContact O-CA 3.26Å; K199-E204 HydrophobicContact CG-CB 3.8Å; E204-K221 PolarHBondContact N-O 3.5Å; E204-K221 VanDerWaalsContact N-O 3.14Å; E204-K221 PolarHBondContact O-N 3.04Å; E204-F491 HydrophobicContact CB-CE2 4.39Å
205	V	93.6	Very high	90.3	Very high	38 Å²	38	25.1 Å²	25.1	23%	0.23	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.7	172.8	-176.8	0	0	0	0	107.2	V196 L197 G198 A218 C219 K220	V196-V205 CarbonylContact C-O 3.51Å; L197-V205 PolarHBondContact N-O 3.45Å; G198-V205 PolarHBondContact N-O 3.31Å; G198-V205 PolarHBondContact O-N 2.93Å; V205-A218 HydrophobicContact CG1-CB 3.98Å; V205-C219 WeakPolarHBondContact CA-O 3.48Å; V205-K220 HydrophobicContact CG2-CB 4.05Å; V205-K220 HydrophobicContact CG2-CG 3.95Å
206	S	93.3	Very high	90.6	Very high	5 Å²	5	26.3 Å²	26.3	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.5	177.6	-63	0	0	0	0	110.9	R195 A218 C219	R195-S206 CarbonylContact O-C 3.58Å; R195-S206 VanDerWaalsContact O-CA 3.3Å; R195-S206 WeakPolarHBondContact O-CA 3.19Å; S206-A218 CarbonylContact O-C 3.43Å; S206-A218 WeakPolarHBondContact O-CA 3.43Å; S206-C219 PolarHBondContact N-O 2.51Å; S206-C219 PolarHBondContact O-N 2.87Å
207	A	92.9	Very high	91	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.8	164.3	0	0	0	0	0	109.5	Y15 F194 R195 L197 Y217 I270	Y15-A207 HydrophobicContact CD2-CB 3.66Å; Y15-A207 HydrophobicContact CE2-CB 3.24Å; F194-A207 PolarHBondContact N-O 3.5Å; R195-A207 PolarHBondContact O-N 2.85Å; L197-A207 HydrophobicContact CD1-CB 4.12Å; L197-A207 HydrophobicContact CD2-CB 4.23Å; L197-A207 HydrophobicContact CG-CB 4.22Å; A207-Y217 WeakPolarHBondContact CA-O 3.36Å; A207-I270 HydrophobicContact CB-CD1 4.01Å
208	C	94.8	Very high	91.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.8	175.7	70.2	0	0	0	0	111.7	F191 L192 L216 Y217 C219	F191-C208 HydrophobicContact CB-CB 4.45Å; L192-C208 CarbonylContact O-C 3.16Å; L192-C208 WeakPolarHBondContact O-CA 3.21Å; L192-C208 WeakPolarHBondContact O-CB 3.37Å; C208-L216 WeakPolarHBondContact O-CA 3.17Å; C208-Y217 PolarHBondContact N-O 2.76Å; C208-Y217 PolarHBondContact O-N 2.84Å; C208-Y217 VanDerWaalsContact O-O 3.11Å; C208-C219 HydrophobicContact CB-CB 4.33Å
209	Q	94.9	Very high	92	Very high	15 Å²	15	22.5 Å²	22.5	7%	0.07	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.8	174.5	-179.2	171.7	57.1	0	0	109.8	F191 L192 F194 K211 G214 K215 L216	F191-Q209 WeakPolarHBondContact CA-O 3.37Å; L192-Q209 PolarHBondContact N-O 3.22Å; L192-Q209 PolarHBondContact O-N 3.11Å; F194-Q209 HydrophobicContact CE2-CB 3.45Å; F194-Q209 VanDerWaalsContact CE2-CB 3.45Å; F194-Q209 HydrophobicContact CZ-CB 3.85Å; Q209-K211 PolarHBondContact O-N 3.31Å; Q209-G214 WeakPolarHBondContact CG-O 3.46Å; Q209-G214 PolarHBondContact NE2-O 3.49Å; Q209-K215 WeakPolarHBondContact CA-O 3.49Å; Q209-L216 HydrophobicContact CB-CD2 3.89Å; Q209-L216 HydrophobicContact CG-CD2 4.37Å
210	M	96.5	Very high	92.7	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	109.2	168.6	175.8	36.4	151.4	0	0	109.3	V186 W190 F191 G212 T213 G214 K215 Y217 E522	V186-M210 HydrophobicContact CG1-CE 4.21Å; W190-M210 HydrophobicContact CB-CE 4Å; W190-M210 HydrophobicContact CB-SD 3.78Å; W190-M210 HydrophobicContact CD2-CE 3.83Å; W190-M210 HydrophobicContact CD2-SD 4.47Å; W190-M210 HydrophobicContact CE3-CE 3.19Å; W190-M210 HydrophobicContact CE3-SD 3.84Å; W190-M210 HydrophobicContact CG-CE 4.21Å; W190-M210 HydrophobicContact CZ3-CE 3.88Å; W190-M210 VanDerWaalsContact O-SD 3.34Å; F191-M210 HydrophobicContact CD1-CB 4.33Å; F191-M210 HydrophobicContact CE1-CB 3.98Å; F191-M210 HydrophobicContact CE1-CG 4.5Å; F191-M210 HydrophobicContact CE1-SD 4.38Å; M210-G212 PolarHBondContact O-N 2.88Å; M210-T213 HydrophobicContact CG-CG2 4.1Å; M210-T213 WeakPolarHBondContact CG-OG1 3.48Å; M210-T213 PolarHBondContact O-N 3.28Å; M210-T213 PolarHBondContact O-OG1 2.97Å; M210-G214 WeakPolarHBondContact O-CA 3.49Å; M210-G214 PolarHBondContact O-N 3.19Å; M210-K215 PolarHBondContact N-O 2.99Å; M210-Y217 HydrophobicContact CB-CD2 4.5Å; M210-Y217 HydrophobicContact CB-CE2 4.47Å; M210-E522 WeakPolarHBondContact CB-OE1 3.42Å; M210-E522 WeakPolarHBondContact CG-OE1 3.4Å
211	K	96.1	Very high	93.5	Very high	44 Å²	44	19.5 Å²	19.5	19%	0.191	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.9	-172.8	-72.1	175.6	-173.5	157.6	0	113.3	D33 Y36 D189 W190 F191 L192 Q209	D33-K211 HydrophobicContact CB-CB 3.9Å; D33-K211 HydrophobicContact CB-CG 4.48Å; D33-K211 PolarHBondContact N-O 2.85Å; Y36-K211 HydrophobicContact CD1-CB 4.46Å; Y36-K211 HydrophobicContact CD2-CB 3.9Å; Y36-K211 HydrophobicContact CD2-CD 3.74Å; Y36-K211 HydrophobicContact CD2-CG 4.46Å; Y36-K211 HydrophobicContact CE2-CD 3.69Å; Y36-K211 HydrophobicContact CG-CB 3.81Å; Y36-K211 HydrophobicContact CG-CD 4.3Å; D189-K211 WeakPolarHBondContact O-CD 3.42Å; D189-K211 PolarHBondContact O-NZ 3.35Å; W190-K211 VanDerWaalsContact O-CB 3.28Å; W190-K211 WeakPolarHBondContact O-CB 3.4Å; W190-K211 VanDerWaalsContact O-CG 3.29Å; W190-K211 WeakPolarHBondContact O-CG 3.46Å; W190-K211 PolarHBondContact O-N 3.46Å; F191-K211 WeakPolarHBondContact O-CE 3.47Å; F191-K211 PolarHBondContact O-NZ 3.08Å; F191-K211 VanDerWaalsContact O-NZ 3.11Å; L192-K211 HydrophobicContact CB-CG 4.32Å; Q209-K211 PolarHBondContact O-N 3.31Å
212	G	95.1	Very high	94.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-30.7	-176.1	0	0	0	0	0	114.3	R37 M210	R37-G212 WeakPolarHBondContact CD-O 3.42Å; M210-G212 PolarHBondContact O-N 2.88Å
213	T	94.8	Very high	94.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-25	-170.7	66	0	0	0	0	112.8	R32 L40 M210 K215 E522 M523 I528	R32-T213 WeakPolarHBondContact CG-O 3.41Å; R32-T213 PolarHBondContact NE-O 3.16Å; L40-T213 HydrophobicContact CD1-CG2 4.04Å; M210-T213 HydrophobicContact CG-CG2 4.1Å; M210-T213 WeakPolarHBondContact CG-OG1 3.48Å; M210-T213 PolarHBondContact O-N 3.28Å; M210-T213 PolarHBondContact O-OG1 2.97Å; T213-K215 VanDerWaalsContact C-N 3.33Å; T213-K215 PolarHBondContact OG1-N 2.77Å; T213-E522 VanDerWaalsContact CB-OE1 3.25Å; T213-E522 WeakPolarHBondContact CB-OE1 3.47Å; T213-E522 HydrophobicContact CG2-CG 4.06Å; T213-E522 WeakPolarHBondContact CG2-OE1 3.42Å; T213-E522 PolarHBondContact OG1-OE1 2.84Å; T213-M523 HydrophobicContact CG2-CE 3.55Å; T213-M523 HydrophobicContact CG2-SD 4.49Å; T213-I528 HydrophobicContact CG2-CG1 4.31Å
214	G	92.3	Very high	95.2	Very high	5 Å²	5	16.3 Å²	16.3	5%	0.052	8%	0.081	C	C	.	.			trans	85.2	-1.8	-174.2	0	0	0	0	0	113.9	Q209 M210	Q209-G214 WeakPolarHBondContact CG-O 3.46Å; Q209-G214 PolarHBondContact NE2-O 3.49Å; M210-G214 WeakPolarHBondContact O-CA 3.49Å; M210-G214 PolarHBondContact O-N 3.19Å
215	K	93.4	Very high	95.3	Very high	36 Å²	36	18.2 Å²	18.2	16%	0.157	9%	0.089	C	C	.	.			trans	-70.2	136.6	-176.8	-171.5	164.9	173.9	174.3	0	111.6	Q209 M210 T213 Y217 E522 E525 T526	Q209-K215 WeakPolarHBondContact CA-O 3.49Å; M210-K215 PolarHBondContact N-O 2.99Å; T213-K215 VanDerWaalsContact C-N 3.33Å; T213-K215 PolarHBondContact OG1-N 2.77Å; K215-Y217 HydrophobicContact CB-CD2 4.46Å; K215-Y217 HydrophobicContact CB-CE2 3.87Å; K215-Y217 HydrophobicContact CD-CE2 3.82Å; K215-Y217 VanDerWaalsContact CD-OH 3.28Å; K215-Y217 WeakPolarHBondContact CD-OH 3.29Å; K215-Y217 VanDerWaalsContact CE-OH 3.26Å; K215-Y217 WeakPolarHBondContact CE-OH 3.43Å; K215-Y217 HydrophobicContact CG-CD2 4.24Å; K215-Y217 HydrophobicContact CG-CE2 3.61Å; K215-Y217 PolarHBondContact NZ-OH 3.36Å; K215-E522 HydrophobicContact CB-CG 4.05Å; K215-E522 HydrophobicContact CD-CB 3.77Å; K215-E522 HydrophobicContact CD-CG 3.57Å; K215-E522 HydrophobicContact CG-CG 4.43Å; K215-E525 VanDerWaalsContact CE-OE2 3.3Å; K215-E525 WeakPolarHBondContact CE-OE2 3.34Å; K215-E525 IonicContact NZ-OE1 3.14Å; K215-E525 IonicContact NZ-OE2 3.95Å; K215-E525 PolarHBondContact NZ-OE2 3.46Å; K215-T526 HydrophobicContact CB-CG2 3.95Å; K215-T526 HydrophobicContact CD-CG2 4.49Å
216	L	92.8	Very high	95.4	Very high	30 Å²	30	17.8 Å²	17.8	16%	0.157	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	143.2	175.7	-72	174.6	0	0	0	111.7	A18 R19 F194 C208 Q209 I270	A18-L216 HydrophobicContact CB-CD2 4.42Å; R19-L216 HydrophobicContact CB-CD1 4.45Å; R19-L216 HydrophobicContact CG-CD1 4.16Å; F194-L216 HydrophobicContact CE2-CD2 4.2Å; C208-L216 WeakPolarHBondContact O-CA 3.17Å; Q209-L216 HydrophobicContact CB-CD2 3.89Å; Q209-L216 HydrophobicContact CG-CD2 4.37Å; L216-I270 HydrophobicContact CB-CD1 4.26Å; L216-I270 HydrophobicContact CB-CG2 4.18Å
217	Y	96.6	Very high	95.5	Very high	6 Å²	6	17.6 Å²	17.6	2%	0.024	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	167.7	-179.8	-74.5	-77.6	0	0	0	110.9	A207 C208 M210 K215 A255 Y256 V267 M268 E522	A207-Y217 WeakPolarHBondContact CA-O 3.36Å; C208-Y217 PolarHBondContact N-O 2.76Å; C208-Y217 PolarHBondContact O-N 2.84Å; C208-Y217 VanDerWaalsContact O-O 3.11Å; M210-Y217 HydrophobicContact CB-CD2 4.5Å; M210-Y217 HydrophobicContact CB-CE2 4.47Å; K215-Y217 HydrophobicContact CB-CD2 4.46Å; K215-Y217 HydrophobicContact CB-CE2 3.87Å; K215-Y217 HydrophobicContact CD-CE2 3.82Å; K215-Y217 VanDerWaalsContact CD-OH 3.28Å; K215-Y217 WeakPolarHBondContact CD-OH 3.29Å; K215-Y217 VanDerWaalsContact CE-OH 3.26Å; K215-Y217 WeakPolarHBondContact CE-OH 3.43Å; K215-Y217 HydrophobicContact CG-CD2 4.24Å; K215-Y217 HydrophobicContact CG-CE2 3.61Å; K215-Y217 PolarHBondContact NZ-OH 3.36Å; Y217-A255 HydrophobicContact CD1-CB 4.34Å; Y217-A255 HydrophobicContact CE1-CB 3.56Å; Y217-Y256 HydrophobicContact CE2-CE2 4.04Å; Y217-V267 HydrophobicContact CD1-CG1 3.93Å; Y217-V267 HydrophobicContact CD2-CG1 4.04Å; Y217-V267 HydrophobicContact CG-CG1 3.52Å; Y217-M268 WeakPolarHBondContact CD1-O 3.06Å; Y217-E522 WeakPolarHBondContact CE2-OE2 3.47Å; Y217-E522 PolarHBondContact OH-OE2 3.39Å
218	A	96.6	Very high	95.7	Very high	5 Å²	5	19.9 Å²	19.9	4%	0.041	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.5	162	0	0	0	0	0	109.2	L197 V205 S206 V267 M268 I270	L197-A218 HydrophobicContact CD1-CB 4.35Å; V205-A218 HydrophobicContact CG1-CB 3.98Å; S206-A218 CarbonylContact O-C 3.43Å; S206-A218 WeakPolarHBondContact O-CA 3.43Å; A218-V267 CarbonylContact O-C 3.17Å; A218-V267 WeakPolarHBondContact O-CA 3.31Å; A218-M268 HydrophobicContact CB-CG 4.08Å; A218-M268 PolarHBondContact N-O 3.36Å; A218-M268 PolarHBondContact O-N 3.5Å; A218-I270 HydrophobicContact CB-CG1 4.42Å
219	C	97.7	Very high	95.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.2	175	-172.7	0	0	0	0	109.8	V205 S206 C208 L266 V267	V205-C219 WeakPolarHBondContact CA-O 3.48Å; S206-C219 PolarHBondContact N-O 2.51Å; S206-C219 PolarHBondContact O-N 2.87Å; C208-C219 HydrophobicContact CB-CB 4.33Å; C219-L266 CarbonylContact C-O 3.54Å; C219-L266 WeakPolarHBondContact CA-O 3.25Å; C219-V267 HydrophobicContact CB-CG2 4.49Å
220	K	97.3	Very high	95.6	Very high	30 Å²	30	33.3 Å²	33.3	13%	0.13	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	112.6	170.3	-173.5	179.6	-164.3	-173.4	0	108.4	V205 L222 E239 C265 L266 M268 D336	V205-K220 HydrophobicContact CG2-CB 4.05Å; V205-K220 HydrophobicContact CG2-CG 3.95Å; K220-L222 HydrophobicContact CD-CD2 4.32Å; K220-L222 HydrophobicContact CG-CD2 4.06Å; K220-E239 IonicContact NZ-OE1 2.82Å; K220-E239 PolarHBondContact NZ-OE1 2.98Å; K220-E239 IonicContact NZ-OE2 2.64Å; K220-E239 PolarHBondContact NZ-OE2 3.45Å; K220-C265 WeakPolarHBondContact O-CA 3.13Å; K220-L266 HydrophobicContact CB-CB 4.33Å; K220-L266 PolarHBondContact N-O 2.5Å; K220-L266 PolarHBondContact O-N 3.49Å; K220-M268 HydrophobicContact CB-CE 3.59Å; K220-M268 HydrophobicContact CD-CE 4.11Å; K220-M268 HydrophobicContact CG-CE 4.5Å; K220-D336 IonicContact NZ-OD1 3.46Å; K220-D336 PolarHBondContact NZ-OD1 3.19Å
221	K	97.1	Very high	95.5	Very high	25 Å²	25	42.4 Å²	42.4	11%	0.109	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.2	-177.6	-61.4	177	179.9	-177.6	0	109.7	D193 G203 E204 E263	D193-K221 IonicContact OD1-NZ 2.64Å; D193-K221 PolarHBondContact OD1-NZ 2.96Å; D193-K221 IonicContact OD2-NZ 3.68Å; D193-K221 PolarHBondContact OD2-NZ 3.14Å; G203-K221 CarbonylContact C-O 3.49Å; G203-K221 VanDerWaalsContact CA-O 3.25Å; G203-K221 WeakPolarHBondContact CA-O 3.47Å; E204-K221 PolarHBondContact N-O 3.5Å; E204-K221 VanDerWaalsContact N-O 3.14Å; E204-K221 PolarHBondContact O-N 3.04Å; K221-E263 HydrophobicContact CB-CB 4.49Å; K221-E263 HydrophobicContact CB-CG 4.29Å
222	L	96.9	Very high	95.5	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.9	-178.6	-51.7	173.6	0	0	0	109.3	F202 K220 K224 L227 A236 E263 L264	F202-L222 HydrophobicContact CB-CB 4.5Å; F202-L222 HydrophobicContact CB-CD2 3.9Å; K220-L222 HydrophobicContact CD-CD2 4.32Å; K220-L222 HydrophobicContact CG-CD2 4.06Å; L222-K224 PolarHBondContact O-N 3.05Å; L222-L227 HydrophobicContact CB-CD1 3.78Å; L222-L227 HydrophobicContact CB-CG 4.29Å; L222-A236 HydrophobicContact CD1-CB 3.8Å; L222-E263 CarbonylContact O-C 3.52Å; L222-E263 VanDerWaalsContact O-CA 3.24Å; L222-E263 WeakPolarHBondContact O-CA 3.45Å; L222-L264 HydrophobicContact CB-CB 4.34Å; L222-L264 PolarHBondContact N-O 3.46Å; L222-L264 PolarHBondContact O-N 3.49Å
223	N	96.7	Very high	95.6	Very high	35 Å²	35	42.7 Å²	42.7	19%	0.187	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122.2	-178	-177.8	-89	0	0	0	111.3	F202 K225 R226 L227	F202-N223 WeakPolarHBondContact O-CB 3.41Å; F202-N223 PolarHBondContact O-N 3.45Å; N223-K225 PolarHBondContact O-N 3.11Å; N223-K225 PolarHBondContact OD1-N 2.86Å; N223-R226 HydrophobicContact CB-CB 4.08Å; N223-R226 HydrophobicContact CB-CG 4.08Å; N223-R226 WeakPolarHBondContact O-CB 3.11Å; N223-R226 PolarHBondContact O-N 2.88Å; N223-R226 PolarHBondContact OD1-N 3.29Å; N223-R226 VanDerWaalsContact OD1-N 3.07Å; N223-L227 PolarHBondContact O-N 2.85Å
224	K	97.3	Very high	95.6	Very high	11 Å²	11	50.1 Å²	50.1	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-55.4	-45	-176.1	-72.5	175.5	167.1	-179.9	0	113.1	L222 R226 L227 K228 T260 I262 E263 L264 L499 F507	L222-K224 PolarHBondContact O-N 3.05Å; K224-R226 PolarHBondContact O-N 3.33Å; K224-L227 PolarHBondContact O-N 3.4Å; K224-K228 PolarHBondContact O-N 3.02Å; K224-T260 PolarHBondContact NZ-O 3.48Å; K224-I262 PolarHBondContact N-O 3.34Å; K224-E263 WeakPolarHBondContact CE-O 3.34Å; K224-L264 HydrophobicContact CG-CG 4.27Å; K224-L499 HydrophobicContact CB-CD1 4.1Å; K224-L499 HydrophobicContact CD-CD1 4.48Å; K224-F507 HydrophobicContact CB-CE1 4.23Å; K224-F507 HydrophobicContact CB-CE2 4.3Å; K224-F507 HydrophobicContact CB-CZ 3.8Å; K224-F507 HydrophobicContact CD-CD1 4.39Å; K224-F507 HydrophobicContact CD-CD2 3.81Å; K224-F507 HydrophobicContact CD-CE1 4.26Å; K224-F507 HydrophobicContact CD-CE2 3.67Å; K224-F507 HydrophobicContact CD-CG 4.2Å; K224-F507 HydrophobicContact CD-CZ 3.91Å; K224-F507 HydrophobicContact CG-CD1 4.27Å; K224-F507 HydrophobicContact CG-CD2 4.46Å; K224-F507 HydrophobicContact CG-CE1 3.86Å; K224-F507 HydrophobicContact CG-CE2 4.07Å; K224-F507 HydrophobicContact CG-CZ 3.75Å
225	K	95.8	Very high	95.7	Very high	89 Å²	89	51.1 Å²	51.1	39%	0.387	23%	0.233	S	C	.	.	H	α-helix	trans	-67.5	-34.2	179.1	-69.5	-174.7	174.9	-177.4	0	112.6	N223 K229 V494 V497	N223-K225 PolarHBondContact O-N 3.11Å; N223-K225 PolarHBondContact OD1-N 2.86Å; K225-K229 WeakPolarHBondContact O-CB 3.05Å; K225-K229 PolarHBondContact O-N 3Å; K225-V494 HydrophobicContact CB-CB 4.01Å; K225-V494 HydrophobicContact CB-CG1 4Å; K225-V497 HydrophobicContact CB-CB 4.48Å; K225-V497 HydrophobicContact CB-CG1 4.37Å; K225-V497 WeakPolarHBondContact CE-O 3.43Å; K225-V497 HydrophobicContact CG-CG1 4.44Å
226	R	95.1	Very high	95.8	Very high	29 Å²	29	49.7 Å²	49.7	11%	0.109	23%	0.227	C	C	.	.	H	α-helix	trans	-69.1	-43.5	174.8	-74.7	-173.7	179.4	144.1	11.3	112	N223 K224 K228 K229 R230 F491 S492 V494	N223-R226 HydrophobicContact CB-CB 4.08Å; N223-R226 HydrophobicContact CB-CG 4.08Å; N223-R226 WeakPolarHBondContact O-CB 3.11Å; N223-R226 PolarHBondContact O-N 2.88Å; N223-R226 PolarHBondContact OD1-N 3.29Å; N223-R226 VanDerWaalsContact OD1-N 3.07Å; K224-R226 PolarHBondContact O-N 3.33Å; R226-K228 VanDerWaalsContact C-N 3.35Å; R226-K229 PolarHBondContact O-N 3.07Å; R226-R230 WeakPolarHBondContact O-CB 3.33Å; R226-R230 PolarHBondContact O-N 3.41Å; R226-F491 VanDerWaalsContact CZ-CD1 3.41Å; R226-F491 VanDerWaalsContact CZ-CG 3.47Å; R226-S492 PolarHBondContact NH2-O 2.92Å; R226-V494 HydrophobicContact CB-CG2 4.49Å; R226-V494 HydrophobicContact CG-CG2 3.41Å; R226-V494 VanDerWaalsContact CG-CG2 3.41Å
227	L	95.7	Very high	96	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.1	-50.9	175.1	-75.6	171.8	0	0	0	110.4	F202 L222 N223 K224 K229 R230 K231 G232 Y233 A236 L264	F202-L227 HydrophobicContact CB-CD2 4.16Å; F202-L227 HydrophobicContact CD1-CD2 3.68Å; F202-L227 HydrophobicContact CD1-CG 4.32Å; F202-L227 HydrophobicContact CD2-CD2 4.4Å; F202-L227 HydrophobicContact CE1-CD2 4.13Å; F202-L227 HydrophobicContact CG-CD2 3.83Å; L222-L227 HydrophobicContact CB-CD1 3.78Å; L222-L227 HydrophobicContact CB-CG 4.29Å; N223-L227 PolarHBondContact O-N 2.85Å; K224-L227 PolarHBondContact O-N 3.4Å; L227-K229 PolarHBondContact O-N 3.12Å; L227-R230 CarbonylContact O-C 3.58Å; L227-R230 PolarHBondContact O-N 2.87Å; L227-K231 PolarHBondContact O-N 3.17Å; L227-G232 WeakPolarHBondContact CD2-O 3.35Å; L227-G232 PolarHBondContact O-N 3.23Å; L227-Y233 HydrophobicContact CB-CD1 3.64Å; L227-Y233 HydrophobicContact CB-CE1 3.52Å; L227-Y233 HydrophobicContact CD1-CD1 4.42Å; L227-A236 HydrophobicContact CD2-CB 4.11Å; L227-L264 HydrophobicContact CD1-CD1 3.76Å; L227-L264 HydrophobicContact CD1-CG 4.35Å
228	K	96.1	Very high	96	Very high	49 Å²	49	50.3 Å²	50.3	21%	0.213	23%	0.231	C	C	.	.	H	α-helix	trans	-56.8	-52.6	175.6	-170	167	-177.1	169.9	0	112.1	K224 R226 R230 K231 Y233 V497 A498 L499 E500 D503	K224-K228 PolarHBondContact O-N 3.02Å; R226-K228 VanDerWaalsContact C-N 3.35Å; K228-R230 PolarHBondContact O-N 3.38Å; K228-K231 PolarHBondContact O-N 3.48Å; K228-Y233 HydrophobicContact CB-CE1 4.41Å; K228-Y233 WeakPolarHBondContact CB-OH 3.46Å; K228-V497 HydrophobicContact CB-CG1 4.02Å; K228-V497 HydrophobicContact CD-CG1 3.8Å; K228-V497 HydrophobicContact CG-CG1 4.05Å; K228-A498 WeakPolarHBondContact CD-O 3.45Å; K228-A498 WeakPolarHBondContact CE-O 3.49Å; K228-A498 PolarHBondContact NZ-O 3.36Å; K228-L499 HydrophobicContact CB-CD2 4.46Å; K228-L499 HydrophobicContact CD-CD2 4Å; K228-E500 IonicContact NZ-OE1 2.78Å; K228-E500 PolarHBondContact NZ-OE1 3.02Å; K228-D503 WeakPolarHBondContact CD-OD1 3.04Å; K228-D503 WeakPolarHBondContact CD-OD2 3.49Å; K228-D503 WeakPolarHBondContact CE-OD2 3.45Å; K228-D503 IonicContact NZ-OD1 3.85Å; K228-D503 IonicContact NZ-OD2 2.71Å; K228-D503 PolarHBondContact NZ-OD2 2.88Å
229	K	94.6	Very high	96	Very high	138 Å²	138	50.4 Å²	50.4	60%	0.6	23%	0.231	S	C	*	.	H	α-helix	trans	-58.4	-35	-177	-176.7	168.6	177.2	175	0	113.2	K225 R226 L227 V494 V497	K225-K229 WeakPolarHBondContact O-CB 3.05Å; K225-K229 PolarHBondContact O-N 3Å; R226-K229 PolarHBondContact O-N 3.07Å; L227-K229 PolarHBondContact O-N 3.12Å; K229-V494 HydrophobicContact CB-CG1 4.38Å; K229-V494 HydrophobicContact CD-CG1 3.81Å; K229-V497 HydrophobicContact CB-CG2 4.2Å; K229-V497 HydrophobicContact CD-CG2 4.47Å
230	R	93.4	Very high	96	Very high	159 Å²	159	51.3 Å²	51.3	60%	0.6	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	8.7	-176	-68.4	-175.1	176.6	-171.6	-1.1	113.3	G201 F202 R226 L227 K228 G232	G201-R230 PolarHBondContact O-NH1 3.24Å; F202-R230 HydrophobicContact CE1-CB 3.8Å; R226-R230 WeakPolarHBondContact O-CB 3.33Å; R226-R230 PolarHBondContact O-N 3.41Å; L227-R230 CarbonylContact O-C 3.58Å; L227-R230 PolarHBondContact O-N 2.87Å; K228-R230 PolarHBondContact O-N 3.38Å; R230-G232 VanDerWaalsContact C-N 3.25Å; R230-G232 PolarHBondContact O-N 2.89Å
231	K	94.9	Very high	96.1	Very high	192 Å²	192	55.9 Å²	55.9	84%	0.835	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	41.4	-177.1	-55	-177.2	177.4	-174	0	112.8	L227 K228	L227-K231 PolarHBondContact O-N 3.17Å; K228-K231 PolarHBondContact O-N 3.48Å
232	G	95.4	Very high	96.1	Very high	8 Å²	8	54.8 Å²	54.8	8%	0.082	25%	0.246	C	C	.	.			trans	-91.5	5.7	-173.3	0	0	0	0	0	115.9	L227 R230 A236	L227-G232 WeakPolarHBondContact CD2-O 3.35Å; L227-G232 PolarHBondContact O-N 3.23Å; R230-G232 VanDerWaalsContact C-N 3.25Å; R230-G232 PolarHBondContact O-N 2.89Å; G232-A236 PolarHBondContact O-N 2.84Å; G232-A236 VanDerWaalsContact O-N 3.15Å
233	Y	96.6	Very high	96.1	Very high	42 Å²	42	54.7 Å²	54.7	17%	0.165	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-47.2	-176.4	-70.4	-14.1	0	0	0	113	L227 K228 G235 A236 M237 D503 F506 F507	L227-Y233 HydrophobicContact CB-CD1 3.64Å; L227-Y233 HydrophobicContact CB-CE1 3.52Å; L227-Y233 HydrophobicContact CD1-CD1 4.42Å; K228-Y233 HydrophobicContact CB-CE1 4.41Å; K228-Y233 WeakPolarHBondContact CB-OH 3.46Å; Y233-G235 PolarHBondContact O-N 3.4Å; Y233-A236 PolarHBondContact O-N 3.38Å; Y233-M237 PolarHBondContact O-N 3.02Å; Y233-D503 WeakPolarHBondContact CE2-OD1 3.29Å; Y233-D503 VanDerWaalsContact CZ-OD1 3.3Å; Y233-D503 PolarHBondContact OH-OD1 2.73Å; Y233-F506 AromaticContact CD1-CD1 3.92Å; Y233-F506 HydrophobicContact CD1-CD1 3.92Å; Y233-F506 AromaticContact CD1-CE1 3.55Å; Y233-F506 HydrophobicContact CD1-CE1 3.55Å; Y233-F506 HydrophobicContact CD1-CZ 4.14Å; Y233-F506 HydrophobicContact CD2-CD1 4.06Å; Y233-F506 HydrophobicContact CD2-CE1 4.34Å; Y233-F506 HydrophobicContact CD2-CG 4.23Å; Y233-F506 HydrophobicContact CE1-CD1 4.24Å; Y233-F506 HydrophobicContact CE1-CE1 4.2Å; Y233-F506 HydrophobicContact CE2-CD1 4.35Å; Y233-F506 AromaticContact CG-CD1 3.85Å; Y233-F506 HydrophobicContact CG-CD1 3.85Å; Y233-F506 AromaticContact CG-CE1 3.66Å; Y233-F506 HydrophobicContact CG-CE1 3.66Å; Y233-F506 HydrophobicContact CG-CE2 4.33Å; Y233-F506 HydrophobicContact CG-CG 4.3Å; Y233-F506 AromaticContact CG-CZ 3.94Å; Y233-F506 HydrophobicContact CG-CZ 3.94Å; Y233-F506 VanDerWaalsContact O-CZ 3.26Å; Y233-F506 WeakPolarHBondContact O-CZ 3.25Å; Y233-F507 AromaticContact CE1-CE1 3.83Å; Y233-F507 HydrophobicContact CE1-CE1 3.83Å; Y233-F507 HydrophobicContact CE1-CZ 4.33Å; Y233-F507 AromaticContact CZ-CE1 3.93Å; Y233-F507 WeakPolarHBondContact OH-CZ 3.37Å
234	E	94.6	Very high	96.1	Very high	157 Å²	157	54.8 Å²	54.8	73%	0.734	25%	0.251	S	S	*	.	H	α-helix	trans	-58.6	-50.2	-179.4	-173.3	-179	-179.1	0	0	111.6	A236 M237 V238	E234-A236 VanDerWaalsContact C-N 3.32Å; E234-A236 PolarHBondContact O-N 3.24Å; E234-M237 PolarHBondContact O-N 2.96Å; E234-V238 HydrophobicContact CG-CG2 4.46Å; E234-V238 WeakPolarHBondContact O-CB 3.35Å; E234-V238 VanDerWaalsContact O-CG2 3.29Å; E234-V238 WeakPolarHBondContact O-CG2 3.4Å; E234-V238 PolarHBondContact O-N 3.15Å
235	G	94.6	Very high	95.9	Very high	26 Å²	26	59.2 Å²	59.2	27%	0.268	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-38.2	177.8	0	0	0	0	0	113.3	Y233 E239 G338	Y233-G235 PolarHBondContact O-N 3.4Å; G235-E239 WeakPolarHBondContact O-CB 3.34Å; G235-E239 PolarHBondContact O-N 3.01Å; G235-G338 WeakPolarHBondContact CA-O 3.4Å
236	A	96.8	Very high	95.9	Very high	5 Å²	5	55.3 Å²	55.3	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-41.8	175.8	0	0	0	0	0	112.2	L222 L227 G232 Y233 E234 K240 F510	L222-A236 HydrophobicContact CD1-CB 3.8Å; L227-A236 HydrophobicContact CD2-CB 4.11Å; G232-A236 PolarHBondContact O-N 2.84Å; G232-A236 VanDerWaalsContact O-N 3.15Å; Y233-A236 PolarHBondContact O-N 3.38Å; E234-A236 VanDerWaalsContact C-N 3.32Å; E234-A236 PolarHBondContact O-N 3.24Å; A236-K240 WeakPolarHBondContact O-CB 3.39Å; A236-K240 PolarHBondContact O-N 3.24Å; A236-K240 VanDerWaalsContact O-N 3.09Å; A236-F510 HydrophobicContact CB-CE2 4.28Å
237	M	97.3	Very high	95.9	Very high	28 Å²	28	57.6 Å²	57.6	14%	0.138	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-40.6	177.8	-174.1	60.4	80.5	0	0	111.9	Y233 E234 K240 R241 F506 E509 F510	Y233-M237 PolarHBondContact O-N 3.02Å; E234-M237 PolarHBondContact O-N 2.96Å; M237-K240 PolarHBondContact O-N 3.35Å; M237-K240 HydrophobicContact SD-CD 4.43Å; M237-R241 VanDerWaalsContact O-CB 3.29Å; M237-R241 WeakPolarHBondContact O-CB 3.3Å; M237-R241 PolarHBondContact O-N 3.1Å; M237-F506 HydrophobicContact CB-CE2 3.92Å; M237-F506 HydrophobicContact CB-CZ 4.25Å; M237-F506 HydrophobicContact CE-CD2 4.08Å; M237-F506 HydrophobicContact CE-CE2 3.71Å; M237-F506 HydrophobicContact CE-CZ 4.32Å; M237-E509 HydrophobicContact CE-CB 4.09Å; M237-E509 HydrophobicContact CE-CG 3.85Å; M237-F510 HydrophobicContact CE-CB 4.01Å
238	V	95.8	Very high	95.9	Very high	22 Å²	22	58.3 Å²	58.3	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-49.8	174.6	166.3	0	0	0	0	110.7	E234 K240 R241 I242 A340	E234-V238 HydrophobicContact CG-CG2 4.46Å; E234-V238 WeakPolarHBondContact O-CB 3.35Å; E234-V238 VanDerWaalsContact O-CG2 3.29Å; E234-V238 WeakPolarHBondContact O-CG2 3.4Å; E234-V238 PolarHBondContact O-N 3.15Å; V238-K240 VanDerWaalsContact C-N 3.35Å; V238-K240 PolarHBondContact O-N 3.5Å; V238-R241 PolarHBondContact O-N 2.87Å; V238-I242 HydrophobicContact CG1-CD1 3.66Å; V238-I242 HydrophobicContact CG1-CG1 4.48Å; V238-I242 WeakPolarHBondContact O-CB 3.3Å; V238-I242 WeakPolarHBondContact O-CG1 3.47Å; V238-I242 PolarHBondContact O-N 2.94Å; V238-A340 WeakPolarHBondContact CG1-O 3.41Å
239	E	96.9	Very high	95.9	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-50	176.9	-177.9	172.2	-159	0	0	111.1	K220 G235 R241 L243 L266 L337	K220-E239 IonicContact NZ-OE1 2.82Å; K220-E239 PolarHBondContact NZ-OE1 2.98Å; K220-E239 IonicContact NZ-OE2 2.64Å; K220-E239 PolarHBondContact NZ-OE2 3.45Å; G235-E239 WeakPolarHBondContact O-CB 3.34Å; G235-E239 PolarHBondContact O-N 3.01Å; E239-R241 PolarHBondContact O-N 3.5Å; E239-L243 HydrophobicContact CG-CD1 3.71Å; E239-L243 HydrophobicContact CG-CG 4.43Å; E239-L243 VanDerWaalsContact O-CB 3.26Å; E239-L243 WeakPolarHBondContact O-CB 3.4Å; E239-L243 VanDerWaalsContact O-CG 3.28Å; E239-L243 WeakPolarHBondContact O-CG 3.47Å; E239-L243 PolarHBondContact O-N 2.75Å; E239-L266 HydrophobicContact CG-CD1 4.13Å; E239-L337 HydrophobicContact CG-CB 4.34Å
240	K	97.8	Very high	96.1	Very high	20 Å²	20	54.9 Å²	54.9	9%	0.087	25%	0.25	C	S	.	.	H	α-helix	trans	-59.6	-47.5	179.1	-176.4	-92.1	169.4	-179.6	0	112	A236 M237 V238 A244 L254 A257 L266 F510 T512	A236-K240 WeakPolarHBondContact O-CB 3.39Å; A236-K240 PolarHBondContact O-N 3.24Å; A236-K240 VanDerWaalsContact O-N 3.09Å; M237-K240 PolarHBondContact O-N 3.35Å; M237-K240 HydrophobicContact SD-CD 4.43Å; V238-K240 VanDerWaalsContact C-N 3.35Å; V238-K240 PolarHBondContact O-N 3.5Å; K240-A244 VanDerWaalsContact O-CB 3.29Å; K240-A244 WeakPolarHBondContact O-CB 3.45Å; K240-A244 PolarHBondContact O-N 3.41Å; K240-L254 HydrophobicContact CG-CD2 4.13Å; K240-A257 HydrophobicContact CG-CB 4.09Å; K240-L266 HydrophobicContact CB-CD2 3.91Å; K240-L266 HydrophobicContact CG-CD2 3.77Å; K240-F510 HydrophobicContact CB-CD2 4.2Å; K240-F510 HydrophobicContact CB-CE2 3.77Å; K240-F510 HydrophobicContact CB-CZ 4.27Å; K240-F510 HydrophobicContact CG-CD2 4.37Å; K240-F510 HydrophobicContact CG-CE2 4.15Å; K240-F510 HydrophobicContact CG-CZ 4.36Å; K240-T512 WeakPolarHBondContact CE-OG1 3.44Å; K240-T512 PolarHBondContact NZ-OG1 2.97Å
241	R	97.7	Very high	96.4	Very high	126 Å²	126	47.3 Å²	47.3	48%	0.475	22%	0.222	S	C	.	.	H	α-helix	trans	-65.6	-45.2	-175.7	-174.6	-177.8	73.2	-162.8	4	111.4	M237 V238 E239 A244 R245 E342	M237-R241 VanDerWaalsContact O-CB 3.29Å; M237-R241 WeakPolarHBondContact O-CB 3.3Å; M237-R241 PolarHBondContact O-N 3.1Å; V238-R241 PolarHBondContact O-N 2.87Å; E239-R241 PolarHBondContact O-N 3.5Å; R241-A244 PolarHBondContact O-N 2.72Å; R241-R245 PolarHBondContact O-N 2.9Å; R241-E342 IonicContact CZ-OE2 3.63Å; R241-E342 IonicContact NE-OE2 2.72Å; R241-E342 IonicContact NH2-OE2 3.62Å
242	I	97.7	Very high	96.5	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-50	178.8	-68.5	172	0	0	0	109.8	V238 A244 R245 V246 L309 I314 L337 A340	V238-I242 HydrophobicContact CG1-CD1 3.66Å; V238-I242 HydrophobicContact CG1-CG1 4.48Å; V238-I242 WeakPolarHBondContact O-CB 3.3Å; V238-I242 WeakPolarHBondContact O-CG1 3.47Å; V238-I242 PolarHBondContact O-N 2.94Å; I242-A244 PolarHBondContact O-N 3.07Å; I242-R245 PolarHBondContact O-N 3.25Å; I242-V246 HydrophobicContact CG2-CG1 3.92Å; I242-V246 WeakPolarHBondContact O-CG1 3.37Å; I242-V246 WeakPolarHBondContact O-CG2 3.35Å; I242-V246 PolarHBondContact O-N 3.17Å; I242-L309 HydrophobicContact CG2-CD2 4.43Å; I242-I314 HydrophobicContact CD1-CG2 3.93Å; I242-I314 HydrophobicContact CG1-CD1 4.35Å; I242-I314 HydrophobicContact CG2-CD1 3.94Å; I242-I314 HydrophobicContact CG2-CG2 4.33Å; I242-L337 HydrophobicContact CG2-CB 4.48Å; I242-L337 HydrophobicContact CG2-CD1 3.79Å; I242-L337 HydrophobicContact CG2-CD2 4.37Å; I242-L337 HydrophobicContact CG2-CG 4.46Å; I242-A340 HydrophobicContact CD1-CB 3.48Å; I242-A340 VanDerWaalsContact CD1-CB 3.48Å
243	L	97.7	Very high	96.6	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-30.9	179.9	-76.7	173.3	0	0	0	113.6	E239 R245 I251 V252 L254 L337	E239-L243 HydrophobicContact CG-CD1 3.71Å; E239-L243 HydrophobicContact CG-CG 4.43Å; E239-L243 VanDerWaalsContact O-CB 3.26Å; E239-L243 WeakPolarHBondContact O-CB 3.4Å; E239-L243 VanDerWaalsContact O-CG 3.28Å; E239-L243 WeakPolarHBondContact O-CG 3.47Å; E239-L243 PolarHBondContact O-N 2.75Å; L243-R245 VanDerWaalsContact C-N 3.28Å; L243-I251 HydrophobicContact CD2-CG2 4.49Å; L243-V252 HydrophobicContact CD2-CG2 3.82Å; L243-V252 WeakPolarHBondContact CD2-O 3.34Å; L243-L254 HydrophobicContact CB-CB 3.66Å; L243-L254 HydrophobicContact CB-CD2 4.17Å; L243-L337 HydrophobicContact CD2-CD1 3.51Å; L243-L337 HydrophobicContact CG-CD1 3.8Å
244	A	96.3	Very high	96.7	Very high	37 Å²	37	36.4 Å²	36.4	31%	0.306	18%	0.175	S	C	.	.	H	α-helix	trans	-72.5	-20.2	175.2	0	0	0	0	0	113.4	K240 R241 I242 L254 I515	K240-A244 VanDerWaalsContact O-CB 3.29Å; K240-A244 WeakPolarHBondContact O-CB 3.45Å; K240-A244 PolarHBondContact O-N 3.41Å; R241-A244 PolarHBondContact O-N 2.72Å; I242-A244 PolarHBondContact O-N 3.07Å; A244-L254 HydrophobicContact CB-CD2 4.28Å; A244-I515 HydrophobicContact CB-CD1 3.95Å
245	R	92.7	Very high	96.9	Very high	105 Å²	105	29 Å²	29	40%	0.396	14%	0.14	S	C	.	.	H	α-helix	trans	-102	-30.6	-176.9	-170.4	174.7	94.7	-179.4	1.5	113.8	R241 I242 L243 K312 E342	R241-R245 PolarHBondContact O-N 2.9Å; I242-R245 PolarHBondContact O-N 3.25Å; L243-R245 VanDerWaalsContact C-N 3.28Å; R245-K312 PolarHBondContact NH2-O 3.13Å; R245-E342 IonicContact CZ-OE1 3.7Å; R245-E342 IonicContact CZ-OE2 2.88Å; R245-E342 VanDerWaalsContact NH1-CD 3.33Å; R245-E342 IonicContact NH1-OE1 3.89Å; R245-E342 PolarHBondContact NH1-OE1 2.92Å; R245-E342 IonicContact NH1-OE2 2.84Å; R245-E342 VanDerWaalsContact NH2-CD 3.32Å; R245-E342 IonicContact NH2-OE1 3.4Å; R245-E342 PolarHBondContact NH2-OE1 3.15Å; R245-E342 IonicContact NH2-OE2 3.57Å
246	V	95.5	Very high	97.1	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.036	13%	0.127	C	C	.	.			trans	-83.9	135.6	-179.1	-57.9	0	0	0	0	109.8	I242 I251 L309 K312 I314	I242-V246 HydrophobicContact CG2-CG1 3.92Å; I242-V246 WeakPolarHBondContact O-CG1 3.37Å; I242-V246 WeakPolarHBondContact O-CG2 3.35Å; I242-V246 PolarHBondContact O-N 3.17Å; V246-I251 HydrophobicContact CB-CD1 4.39Å; V246-I251 HydrophobicContact CG2-CD1 4.39Å; V246-I251 HydrophobicContact CG2-CG2 4.06Å; V246-L309 HydrophobicContact CG1-CD2 3.86Å; V246-K312 HydrophobicContact CG1-CD 4.11Å; V246-I314 HydrophobicContact CG1-CD1 4.06Å
247	H	95.7	Very high	97.1	Very high	77 Å²	77	27.5 Å²	27.5	36%	0.356	13%	0.125	S	C	.	.			trans	-137.2	94.2	176.6	-176	67.8	0	0	0	107.8	H308 E521	H247-H308 PolarHBondContact N-NE2 2.79Å; H247-H308 PolarHBondContact O-CE1 3.41Å; H247-H308 PolarHBondContact O-NE2 3.5Å; H247-E521 IonicContact CE1-OE1 3.96Å; H247-E521 PolarHBondContact CE1-OE1 2.78Å; H247-E521 IonicContact CE1-OE2 2.75Å; H247-E521 IonicContact NE2-OE1 3.81Å; H247-E521 PolarHBondContact NE2-OE1 3.11Å
248	S	96.6	Very high	97.2	Very high	15 Å²	15	26.8 Å²	26.8	11%	0.105	12%	0.122	C	C	.	.			trans	-142.8	141.5	-176.5	172.3	0	0	0	0	109.5	F250 I251	S248-F250 PolarHBondContact O-N 3.46Å; S248-F250 PolarHBondContact OG-N 2.94Å; S248-I251 PolarHBondContact O-N 3.09Å
249	R	96.2	Very high	97.3	Very high	103 Å²	103	28.5 Å²	28.5	39%	0.389	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.1	174.3	75.3	-174	-49.7	137.7	10.2	113.4	R333 N465 A466 G467	R249-R333 VanDerWaalsContact O-CD 3.31Å; R249-R333 WeakPolarHBondContact O-CD 3.44Å; R249-R333 VanDerWaalsContact O-CG 3.29Å; R249-R333 WeakPolarHBondContact O-CG 3.2Å; R249-R333 VanDerWaalsContact O-CZ 3.27Å; R249-R333 PolarHBondContact O-NE 2.63Å; R249-N465 WeakPolarHBondContact CD-O 3.33Å; R249-N465 PolarHBondContact NH1-O 2.54Å; R249-A466 VanDerWaalsContact CZ-C 3.42Å; R249-A466 VanDerWaalsContact CZ-O 3.31Å; R249-A466 PolarHBondContact NH1-O 2.67Å; R249-A466 PolarHBondContact NH2-O 2.61Å; R249-G467 VanDerWaalsContact NH2-CA 3.32Å
250	F	98.5	Very high	97.3	Very high	12 Å²	12	28.9 Å²	28.9	5%	0.053	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	7.2	-177.1	-54.4	-66.5	0	0	0	113	S248 Q301 Q304 R333 I334 L464	S248-F250 PolarHBondContact O-N 3.46Å; S248-F250 PolarHBondContact OG-N 2.94Å; F250-Q301 HydrophobicContact CD1-CB 3.8Å; F250-Q301 HydrophobicContact CD1-CG 4.11Å; F250-Q301 HydrophobicContact CE1-CB 3.97Å; F250-Q301 HydrophobicContact CE1-CG 3.78Å; F250-Q304 HydrophobicContact CD2-CB 3.27Å; F250-Q304 HydrophobicContact CD2-CG 4.3Å; F250-Q304 HydrophobicContact CE2-CB 3.28Å; F250-Q304 HydrophobicContact CE2-CG 3.84Å; F250-Q304 HydrophobicContact CG-CB 3.92Å; F250-Q304 HydrophobicContact CZ-CB 3.95Å; F250-Q304 HydrophobicContact CZ-CG 4.14Å; F250-R333 CarbonylContact O-C 3.59Å; F250-R333 VanDerWaalsContact O-CA 3.29Å; F250-R333 WeakPolarHBondContact O-CA 3.3Å; F250-I334 PolarHBondContact O-N 3.36Å; F250-L464 HydrophobicContact CZ-CG 4.42Å
251	I	98.6	Very high	97.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-130.6	140.6	176.1	-52.2	171.4	0	0	0	107.5	L243 V246 S248 S253 H308 L309 R333 L337	L243-I251 HydrophobicContact CD2-CG2 4.49Å; V246-I251 HydrophobicContact CB-CD1 4.39Å; V246-I251 HydrophobicContact CG2-CD1 4.39Å; V246-I251 HydrophobicContact CG2-CG2 4.06Å; S248-I251 PolarHBondContact O-N 3.09Å; I251-S253 PolarHBondContact O-N 3.23Å; I251-H308 HydrophobicContact CD1-CB 4.46Å; I251-L309 HydrophobicContact CD1-CD1 4.4Å; I251-L309 HydrophobicContact CD1-CD2 3.71Å; I251-L309 HydrophobicContact CD1-CG 3.73Å; I251-R333 PolarHBondContact O-NH1 3.1Å; I251-L337 HydrophobicContact CG2-CD1 4.11Å
252	V	97.7	Very high	97.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-59.7	135.6	173.6	-61.7	0	0	0	0	109.8	L243 M268 M271 L325 R333 I334	L243-V252 HydrophobicContact CD2-CG2 3.82Å; L243-V252 WeakPolarHBondContact CD2-O 3.34Å; V252-M268 HydrophobicContact CG2-SD 4.39Å; V252-M271 HydrophobicContact CG1-CG 3.97Å; V252-M271 HydrophobicContact CG1-SD 4.43Å; V252-L325 HydrophobicContact CG1-CD1 4.43Å; V252-R333 HydrophobicContact CG1-CB 4.08Å; V252-I334 PolarHBondContact N-O 3.29Å
253	S	97.4	Very high	97	Very high	11 Å²	11	37.1 Å²	37.1	8%	0.077	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-97.2	134.7	-178.9	-48.8	0	0	0	0	109.8	I251 M268 T269	I251-S253 PolarHBondContact O-N 3.23Å; S253-M268 CarbonylContact O-C 3.33Å; S253-M268 WeakPolarHBondContact O-CA 3.34Å; S253-M268 WeakPolarHBondContact O-CB 3.35Å; S253-T269 WeakPolarHBondContact CB-OG1 2.97Å; S253-T269 PolarHBondContact N-OG1 2.91Å; S253-T269 PolarHBondContact O-N 3Å; S253-T269 PolarHBondContact O-OG1 2.89Å
254	L	98.6	Very high	97.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.1	172.4	177.6	73.9	0	0	0	109.6	K240 L243 A244 Y256 A257 L266 I515 P518	K240-L254 HydrophobicContact CG-CD2 4.13Å; L243-L254 HydrophobicContact CB-CB 3.66Å; L243-L254 HydrophobicContact CB-CD2 4.17Å; A244-L254 HydrophobicContact CB-CD2 4.28Å; L254-Y256 VanDerWaalsContact CD1-O 3.29Å; L254-Y256 WeakPolarHBondContact CD1-O 3.44Å; L254-A257 HydrophobicContact CD2-CB 4.44Å; L254-L266 HydrophobicContact CD1-CB 3.71Å; L254-L266 HydrophobicContact CD1-CD2 3.66Å; L254-L266 HydrophobicContact CD1-CG 4.25Å; L254-L266 HydrophobicContact CD2-CD2 4.12Å; L254-I515 HydrophobicContact CB-CG1 4.4Å; L254-I515 HydrophobicContact CD2-CD1 4.1Å; L254-I515 HydrophobicContact CD2-CG1 3.98Å; L254-I515 HydrophobicContact CG-CD1 4.5Å; L254-I515 HydrophobicContact CG-CG1 3.84Å; L254-I515 WeakPolarHBondContact O-CB 3.46Å; L254-I515 VanDerWaalsContact O-CG1 3.3Å; L254-I515 WeakPolarHBondContact O-CG1 3.32Å; L254-I515 WeakPolarHBondContact O-CG2 3.38Å; L254-P518 WeakPolarHBondContact O-CG 3.3Å
255	A	98.4	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-32.5	177.1	0	0	0	0	0	112.6	Y217 V267 I515 P518	Y217-A255 HydrophobicContact CD1-CB 4.34Å; Y217-A255 HydrophobicContact CE1-CB 3.56Å; A255-V267 PolarHBondContact N-O 3.37Å; A255-I515 PolarHBondContact O-N 3.14Å; A255-P518 HydrophobicContact CB-CB 3.96Å
256	Y	98.6	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	141.7	-179.2	-48.6	-101.5	0	0	0	112.4	V186 F191 Y217 L254 V267 G513 N514 W519 E522	V186-Y256 HydrophobicContact CB-CD1 4.22Å; V186-Y256 HydrophobicContact CB-CE1 4.38Å; V186-Y256 HydrophobicContact CG1-CD1 3.81Å; V186-Y256 HydrophobicContact CG1-CE1 3.93Å; V186-Y256 HydrophobicContact CG2-CE1 4.39Å; F191-Y256 HydrophobicContact CE1-CD2 4.17Å; F191-Y256 HydrophobicContact CE1-CE2 4.26Å; F191-Y256 HydrophobicContact CE2-CG 4.48Å; F191-Y256 AromaticContact CZ-CD1 3.97Å; F191-Y256 HydrophobicContact CZ-CD1 3.97Å; F191-Y256 AromaticContact CZ-CD2 3.69Å; F191-Y256 HydrophobicContact CZ-CD2 3.69Å; F191-Y256 HydrophobicContact CZ-CE1 4.23Å; F191-Y256 AromaticContact CZ-CE2 4Å; F191-Y256 HydrophobicContact CZ-CE2 4Å; F191-Y256 AromaticContact CZ-CG 3.7Å; F191-Y256 HydrophobicContact CZ-CG 3.7Å; Y217-Y256 HydrophobicContact CE2-CE2 4.04Å; L254-Y256 VanDerWaalsContact CD1-O 3.29Å; L254-Y256 WeakPolarHBondContact CD1-O 3.44Å; Y256-V267 HydrophobicContact CD2-CB 3.82Å; Y256-V267 HydrophobicContact CD2-CG1 3.75Å; Y256-V267 HydrophobicContact CD2-CG2 4.48Å; Y256-V267 HydrophobicContact CG-CB 4.23Å; Y256-V267 PolarHBondContact N-O 3.06Å; Y256-V267 PolarHBondContact O-N 3.01Å; Y256-G513 CarbonylContact C-O 3.25Å; Y256-G513 WeakPolarHBondContact CA-O 3.49Å; Y256-N514 HydrophobicContact CD1-CB 4.45Å; Y256-N514 WeakPolarHBondContact CD1-OD1 3.11Å; Y256-N514 HydrophobicContact CE1-CB 4.47Å; Y256-N514 WeakPolarHBondContact CE1-OD1 3.34Å; Y256-W519 AromaticContact CE1-CD1 3.82Å; Y256-W519 AromaticContact CZ-CD1 3.89Å; Y256-E522 WeakPolarHBondContact CE2-OE2 3.16Å; Y256-E522 VanDerWaalsContact OH-CD 3.28Å; Y256-E522 PolarHBondContact OH-OE1 3.49Å; Y256-E522 PolarHBondContact OH-OE2 2.69Å
257	A	98.4	Very high	97.6	Very high	1 Å²	1	30 Å²	30	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.3	169.3	0	0	0	0	0	110.3	K240 L254 C265 L266 F510 A511 T512 G513	K240-A257 HydrophobicContact CG-CB 4.09Å; L254-A257 HydrophobicContact CD2-CB 4.44Å; A257-C265 WeakPolarHBondContact CA-O 3.36Å; A257-L266 HydrophobicContact CB-CD2 4.08Å; A257-F510 HydrophobicContact CB-CE1 4.46Å; A257-A511 CarbonylContact O-C 3.46Å; A257-A511 VanDerWaalsContact O-C 3.31Å; A257-A511 WeakPolarHBondContact O-CA 3.48Å; A257-T512 PolarHBondContact O-N 3.32Å; A257-G513 PolarHBondContact N-O 2.82Å; A257-G513 WeakPolarHBondContact O-CA 3.5Å; A257-G513 PolarHBondContact O-N 3.46Å
258	F	98.4	Very high	97.7	Very high	13 Å²	13	27 Å²	27	6%	0.057	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	175.7	179.9	65.8	-94.2	0	0	0	111.5	E188 F191 T260 C265 V267	E188-F258 HydrophobicContact CB-CE2 3.93Å; F191-F258 AromaticContact CD2-CE1 3.72Å; F191-F258 HydrophobicContact CD2-CE1 3.72Å; F191-F258 AromaticContact CD2-CZ 3.94Å; F191-F258 HydrophobicContact CD2-CZ 3.94Å; F191-F258 HydrophobicContact CE2-CD1 4.2Å; F191-F258 AromaticContact CE2-CE1 3.54Å; F191-F258 HydrophobicContact CE2-CE1 3.54Å; F191-F258 HydrophobicContact CE2-CZ 4.24Å; F191-F258 HydrophobicContact CZ-CE1 4.45Å; F258-T260 HydrophobicContact CD2-CG2 4.4Å; F258-T260 HydrophobicContact CE2-CG2 4Å; F258-C265 HydrophobicContact CD1-CB 4.14Å; F258-C265 HydrophobicContact CD2-CB 3.86Å; F258-C265 HydrophobicContact CE1-CB 3.84Å; F258-C265 HydrophobicContact CE2-CB 3.51Å; F258-C265 VanDerWaalsContact CE2-SG 3.57Å; F258-C265 HydrophobicContact CG-CB 4.15Å; F258-C265 HydrophobicContact CZ-CB 3.5Å; F258-C265 VanDerWaalsContact CZ-CB 3.5Å; F258-C265 PolarHBondContact N-O 3.36Å; F258-C265 VanDerWaalsContact N-O 3.07Å; F258-C265 PolarHBondContact O-N 3.33Å; F258-V267 HydrophobicContact CD1-CG2 4.37Å; F258-V267 HydrophobicContact CE1-CG2 3.59Å; F258-V267 HydrophobicContact CZ-CG2 4.45Å
259	Q	97.6	Very high	97.6	Very high	58 Å²	58	27.8 Å²	27.8	27%	0.271	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.8	175.9	62.5	172.7	-51.6	0	0	111.8	E263 L264 F507 D508 A511	Q259-E263 WeakPolarHBondContact CA-O 3.46Å; Q259-L264 HydrophobicContact CB-CD2 3.71Å; Q259-F507 PolarHBondContact NE2-O 3.46Å; Q259-F507 VanDerWaalsContact OE1-CB 3.25Å; Q259-D508 PolarHBondContact NE2-OD1 3.35Å; Q259-A511 HydrophobicContact CB-CB 4.26Å; Q259-A511 HydrophobicContact CG-CB 3.93Å
260	T	97	Very high	97.5	Very high	14 Å²	14	24 Å²	24	9%	0.086	12%	0.116	C	C	.	.			trans	-111.5	-176.1	168.7	77.1	0	0	0	0	109.3	E188 K224 F258 I262 E263	E188-T260 HydrophobicContact CB-CG2 3.93Å; E188-T260 HydrophobicContact CG-CG2 4.45Å; E188-T260 WeakPolarHBondContact OE2-CB 3.25Å; E188-T260 VanDerWaalsContact OE2-CG2 3.27Å; E188-T260 WeakPolarHBondContact OE2-CG2 3.32Å; K224-T260 PolarHBondContact NZ-O 3.48Å; F258-T260 HydrophobicContact CD2-CG2 4.4Å; F258-T260 HydrophobicContact CE2-CG2 4Å; T260-I262 PolarHBondContact O-N 3.24Å; T260-I262 PolarHBondContact OG1-N 2.64Å; T260-I262 VanDerWaalsContact OG1-N 3.16Å; T260-E263 PolarHBondContact N-O 2.95Å; T260-E263 PolarHBondContact OG1-N 2.86Å
261	K	95.5	Very high	97.3	Very high	191 Å²	191	24.1 Å²	24.1	83%	0.83	12%	0.117	S	C	*	.	S	Bend	trans	-56.7	-30.5	172.1	-173.2	174	-179.4	176.5	0	113
262	I	95.5	Very high	96.9	Very high	94 Å²	94	24.5 Å²	24.5	48%	0.482	12%	0.119	S	C	.	.	S	Bend	trans	-120.9	-18.3	-170.3	55.7	164.1	0	0	0	114.4	K224 T260	K224-I262 PolarHBondContact N-O 3.34Å; T260-I262 PolarHBondContact O-N 3.24Å; T260-I262 PolarHBondContact OG1-N 2.64Å; T260-I262 VanDerWaalsContact OG1-N 3.16Å
263	E	97.1	Very high	96.7	Very high	36 Å²	36	24.4 Å²	24.4	17%	0.168	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.3	-167.8	-72.4	161	164.1	0	0	112.6	K221 L222 K224 Q259 T260	K221-E263 HydrophobicContact CB-CB 4.49Å; K221-E263 HydrophobicContact CB-CG 4.29Å; L222-E263 CarbonylContact O-C 3.52Å; L222-E263 VanDerWaalsContact O-CA 3.24Å; L222-E263 WeakPolarHBondContact O-CA 3.45Å; K224-E263 WeakPolarHBondContact CE-O 3.34Å; Q259-E263 WeakPolarHBondContact CA-O 3.46Å; T260-E263 PolarHBondContact N-O 2.95Å; T260-E263 PolarHBondContact OG1-N 2.86Å
264	L	98.2	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.2	157.8	-60.2	-179.4	0	0	0	107.7	L222 K224 L227 Q259 F506 F507 F510	L222-L264 HydrophobicContact CB-CB 4.34Å; L222-L264 PolarHBondContact N-O 3.46Å; L222-L264 PolarHBondContact O-N 3.49Å; K224-L264 HydrophobicContact CG-CG 4.27Å; L227-L264 HydrophobicContact CD1-CD1 3.76Å; L227-L264 HydrophobicContact CD1-CG 4.35Å; Q259-L264 HydrophobicContact CB-CD2 3.71Å; L264-F506 HydrophobicContact CD1-CE1 3.8Å; L264-F507 HydrophobicContact CD1-CD1 3.91Å; L264-F507 HydrophobicContact CD1-CE1 4.34Å; L264-F507 HydrophobicContact CD2-CB 3.92Å; L264-F507 HydrophobicContact CD2-CD1 3.73Å; L264-F507 HydrophobicContact CD2-CG 4.05Å; L264-F507 HydrophobicContact CG-CD1 4.12Å; L264-F510 HydrophobicContact CB-CD1 3.94Å; L264-F510 HydrophobicContact CB-CE1 3.62Å; L264-F510 HydrophobicContact CB-CZ 3.91Å; L264-F510 HydrophobicContact CD1-CB 4.39Å; L264-F510 HydrophobicContact CD1-CD1 4.13Å; L264-F510 HydrophobicContact CD1-CD2 4Å; L264-F510 HydrophobicContact CD1-CE1 4.41Å; L264-F510 HydrophobicContact CD1-CE2 4.24Å; L264-F510 HydrophobicContact CD1-CG 3.91Å; L264-F510 HydrophobicContact CD1-CZ 4.42Å; L264-F510 HydrophobicContact CD2-CD1 3.95Å; L264-F510 HydrophobicContact CD2-CE1 4.49Å; L264-F510 HydrophobicContact CD2-CG 4.31Å; L264-F510 HydrophobicContact CG-CD1 4.22Å; L264-F510 HydrophobicContact CG-CE1 4.39Å; L264-F510 HydrophobicContact CG-CG 4.48Å
265	C	98.4	Very high	96.4	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.6	-171.2	-61.2	0	0	0	0	110.5	K220 A257 F258	K220-C265 WeakPolarHBondContact O-CA 3.13Å; A257-C265 WeakPolarHBondContact CA-O 3.36Å; F258-C265 HydrophobicContact CD1-CB 4.14Å; F258-C265 HydrophobicContact CD2-CB 3.86Å; F258-C265 HydrophobicContact CE1-CB 3.84Å; F258-C265 HydrophobicContact CE2-CB 3.51Å; F258-C265 VanDerWaalsContact CE2-SG 3.57Å; F258-C265 HydrophobicContact CG-CB 4.15Å; F258-C265 HydrophobicContact CZ-CB 3.5Å; F258-C265 VanDerWaalsContact CZ-CB 3.5Å; F258-C265 PolarHBondContact N-O 3.36Å; F258-C265 VanDerWaalsContact N-O 3.07Å; F258-C265 PolarHBondContact O-N 3.33Å
266	L	98.4	Very high	96.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.2	169.3	-62.9	174.6	0	0	0	108.3	C219 K220 E239 K240 L254 A257 M268 F510	C219-L266 CarbonylContact C-O 3.54Å; C219-L266 WeakPolarHBondContact CA-O 3.25Å; K220-L266 HydrophobicContact CB-CB 4.33Å; K220-L266 PolarHBondContact N-O 2.5Å; K220-L266 PolarHBondContact O-N 3.49Å; E239-L266 HydrophobicContact CG-CD1 4.13Å; K240-L266 HydrophobicContact CB-CD2 3.91Å; K240-L266 HydrophobicContact CG-CD2 3.77Å; L254-L266 HydrophobicContact CD1-CB 3.71Å; L254-L266 HydrophobicContact CD1-CD2 3.66Å; L254-L266 HydrophobicContact CD1-CG 4.25Å; L254-L266 HydrophobicContact CD2-CD2 4.12Å; A257-L266 HydrophobicContact CB-CD2 4.08Å; L266-M268 HydrophobicContact CB-CE 3.68Å; L266-M268 HydrophobicContact CD1-CE 4.49Å; L266-F510 HydrophobicContact CD1-CZ 4.26Å; L266-F510 HydrophobicContact CD2-CE1 3.89Å; L266-F510 HydrophobicContact CD2-CE2 4.24Å; L266-F510 HydrophobicContact CD2-CZ 3.4Å; L266-F510 VanDerWaalsContact CD2-CZ 3.4Å; L266-F510 HydrophobicContact CG-CE1 4.39Å; L266-F510 HydrophobicContact CG-CZ 3.72Å
267	V	98.5	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.7	175.8	-176.2	0	0	0	0	108.5	F191 Y217 A218 C219 A255 Y256 F258	F191-V267 HydrophobicContact CE1-CG1 3.85Å; F191-V267 HydrophobicContact CE1-CG2 4.15Å; F191-V267 HydrophobicContact CE2-CG2 4.2Å; F191-V267 HydrophobicContact CZ-CG1 4.25Å; F191-V267 HydrophobicContact CZ-CG2 3.96Å; Y217-V267 HydrophobicContact CD1-CG1 3.93Å; Y217-V267 HydrophobicContact CD2-CG1 4.04Å; Y217-V267 HydrophobicContact CG-CG1 3.52Å; A218-V267 CarbonylContact O-C 3.17Å; A218-V267 WeakPolarHBondContact O-CA 3.31Å; C219-V267 HydrophobicContact CB-CG2 4.49Å; A255-V267 PolarHBondContact N-O 3.37Å; Y256-V267 HydrophobicContact CD2-CB 3.82Å; Y256-V267 HydrophobicContact CD2-CG1 3.75Å; Y256-V267 HydrophobicContact CD2-CG2 4.48Å; Y256-V267 HydrophobicContact CG-CB 4.23Å; Y256-V267 PolarHBondContact N-O 3.06Å; Y256-V267 PolarHBondContact O-N 3.01Å; F258-V267 HydrophobicContact CD1-CG2 4.37Å; F258-V267 HydrophobicContact CE1-CG2 3.59Å; F258-V267 HydrophobicContact CZ-CG2 4.45Å
268	M	97.3	Very high	96.1	Very high	14 Å²	14	32.6 Å²	32.6	7%	0.069	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	165.2	-169.3	63.9	-170.3	67.3	0	0	112	Y217 A218 K220 V252 S253 L266 I270	Y217-M268 WeakPolarHBondContact CD1-O 3.06Å; A218-M268 HydrophobicContact CB-CG 4.08Å; A218-M268 PolarHBondContact N-O 3.36Å; A218-M268 PolarHBondContact O-N 3.5Å; K220-M268 HydrophobicContact CB-CE 3.59Å; K220-M268 HydrophobicContact CD-CE 4.11Å; K220-M268 HydrophobicContact CG-CE 4.5Å; V252-M268 HydrophobicContact CG2-SD 4.39Å; S253-M268 CarbonylContact O-C 3.33Å; S253-M268 WeakPolarHBondContact O-CA 3.34Å; S253-M268 WeakPolarHBondContact O-CB 3.35Å; L266-M268 HydrophobicContact CB-CE 3.68Å; L266-M268 HydrophobicContact CD1-CE 4.49Å; M268-I270 PolarHBondContact O-N 3.18Å
269	T	94.3	Very high	96	Very high	32 Å²	32	32.1 Å²	32.1	20%	0.196	15%	0.153	C	C	.	.			trans	-42.1	127.7	174.5	-49.7	0	0	0	0	111.4	S253 M271	S253-T269 WeakPolarHBondContact CB-OG1 2.97Å; S253-T269 PolarHBondContact N-OG1 2.91Å; S253-T269 PolarHBondContact O-N 3Å; S253-T269 PolarHBondContact O-OG1 2.89Å; T269-M271 HydrophobicContact CG2-SD 3.9Å
270	I	94.8	Very high	96	Very high	23 Å²	23	29.4 Å²	29.4	12%	0.118	14%	0.14	C	C	.	.			trans	-79.2	127.4	176.9	-162.7	175.5	0	0	0	110.5	Y15 L197 A207 L216 A218 M268 N272	Y15-I270 HydrophobicContact CE2-CD1 4.01Å; L197-I270 HydrophobicContact CD1-CG1 4.48Å; A207-I270 HydrophobicContact CB-CD1 4.01Å; L216-I270 HydrophobicContact CB-CD1 4.26Å; L216-I270 HydrophobicContact CB-CG2 4.18Å; A218-I270 HydrophobicContact CB-CG1 4.42Å; M268-I270 PolarHBondContact O-N 3.18Å; I270-N272 WeakPolarHBondContact CD1-OD1 3.5Å; I270-N272 VanDerWaalsContact CG1-OD1 3.28Å; I270-N272 WeakPolarHBondContact CG1-OD1 3.47Å
271	M	94.8	Very high	95.9	Very high	14 Å²	14	30.5 Å²	30.5	7%	0.069	14%	0.143	C	C	.	.			trans	-114.6	85.7	-179	-56.5	-59.2	-66.7	0	0	109.1	V252 T269 G273 G274 L325 L326 D327 R333	V252-M271 HydrophobicContact CG1-CG 3.97Å; V252-M271 HydrophobicContact CG1-SD 4.43Å; T269-M271 HydrophobicContact CG2-SD 3.9Å; M271-G273 VanDerWaalsContact C-N 3.29Å; M271-G273 PolarHBondContact O-N 2.76Å; M271-G274 PolarHBondContact O-N 3.36Å; M271-L325 HydrophobicContact CB-CB 3.48Å; M271-L325 VanDerWaalsContact CB-CB 3.48Å; M271-L325 HydrophobicContact CB-CD1 4.01Å; M271-L325 HydrophobicContact CB-CG 4.39Å; M271-L325 HydrophobicContact CE-CB 4.27Å; M271-L325 WeakPolarHBondContact CE-O 3.44Å; M271-L325 HydrophobicContact CG-CB 3.69Å; M271-L325 HydrophobicContact CG-CD1 3.95Å; M271-L325 HydrophobicContact CG-CG 4.49Å; M271-L326 CarbonylContact C-O 3.56Å; M271-L326 WeakPolarHBondContact CA-O 3.28Å; M271-D327 HydrophobicContact CE-CB 3.77Å; M271-D327 HydrophobicContact SD-CB 4.2Å; M271-R333 HydrophobicContact CE-CB 3.77Å; M271-R333 HydrophobicContact CE-CG 3.58Å; M271-R333 HydrophobicContact SD-CB 4.36Å; M271-R333 HydrophobicContact SD-CG 4.15Å
272	N	90.1	Very high	95.8	Very high	9 Å²	9	23.9 Å²	23.9	5%	0.048	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.9	-168.4	-70.4	-30.1	0	0	0	114.7	Y15 I270 G274 L326 N328	Y15-N272 PolarHBondContact OH-OD1 3Å; I270-N272 WeakPolarHBondContact CD1-OD1 3.5Å; I270-N272 VanDerWaalsContact CG1-OD1 3.28Å; I270-N272 WeakPolarHBondContact CG1-OD1 3.47Å; N272-G274 PolarHBondContact O-N 3.11Å; N272-L326 PolarHBondContact N-O 2.76Å; N272-N328 WeakPolarHBondContact CB-OD1 3.44Å; N272-N328 PolarHBondContact ND2-ND2 2.69Å; N272-N328 PolarHBondContact ND2-OD1 3.19Å
273	G	93.3	Very high	95.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-3.2	-179.5	0	0	0	0	0	113.6	M271 H279 L326 Y481	M271-G273 VanDerWaalsContact C-N 3.29Å; M271-G273 PolarHBondContact O-N 2.76Å; G273-H279 PolarHBondContact O-NE2 3.15Å; G273-L326 WeakPolarHBondContact CA-O 3.42Å; G273-L326 PolarHBondContact N-O 2.96Å; G273-Y481 WeakPolarHBondContact O-CB 3.41Å
274	G	94.1	Very high	95.5	Very high	12 Å²	12	23.9 Å²	23.9	12%	0.124	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.7	-177.6	179.6	0	0	0	0	0	113.6	M271 N272 L325 L326 Y481	M271-G274 PolarHBondContact O-N 3.36Å; N272-G274 PolarHBondContact O-N 3.11Å; G274-L325 WeakPolarHBondContact O-CA 3.39Å; G274-L326 PolarHBondContact O-N 3.48Å; G274-Y481 WeakPolarHBondContact CA-O 3.42Å
275	D	96	Very high	95.1	Very high	45 Å²	45	29.9 Å²	29.9	24%	0.241	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	151.6	-179.7	64.8	79.8	0	0	0	112.9	R277 Y278 H279 V324 L325	D275-R277 PolarHBondContact O-N 3.29Å; D275-R277 WeakPolarHBondContact OD1-CA 3.4Å; D275-R277 WeakPolarHBondContact OD1-CB 3.4Å; D275-R277 PolarHBondContact OD1-N 3.37Å; D275-R277 VanDerWaalsContact OD1-N 3.16Å; D275-Y278 WeakPolarHBondContact O-CB 3.5Å; D275-Y278 PolarHBondContact O-N 2.82Å; D275-Y278 PolarHBondContact OD1-N 2.88Å; D275-H279 PolarHBondContact O-CD2 2.85Å; D275-H279 PolarHBondContact O-N 2.95Å; D275-V324 WeakPolarHBondContact CA-O 3.29Å; D275-L325 HydrophobicContact CB-CD2 3.73Å
276	L	97.8	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-24.4	-178.5	-69.5	-171.4	0	0	0	113.1	Y278 H279 I280 F290 Y298 P321 V324 V332 F386	L276-Y278 VanDerWaalsContact C-N 3.32Å; L276-Y278 PolarHBondContact O-N 2.85Å; L276-H279 PolarHBondContact O-N 3.49Å; L276-I280 WeakPolarHBondContact O-CD1 3.49Å; L276-I280 WeakPolarHBondContact O-CG1 3.19Å; L276-I280 PolarHBondContact O-N 3.1Å; L276-F290 HydrophobicContact CD2-CE2 4.46Å; L276-F290 HydrophobicContact CD2-CZ 4.29Å; L276-Y298 HydrophobicContact CD1-CD2 4.02Å; L276-Y298 HydrophobicContact CD1-CG 4.23Å; L276-Y298 HydrophobicContact CD2-CD2 3.96Å; L276-Y298 HydrophobicContact CD2-CE2 3.78Å; L276-P321 HydrophobicContact CB-CB 4.29Å; L276-P321 PolarHBondContact N-O 2.87Å; L276-P321 VanDerWaalsContact N-O 3.13Å; L276-V324 HydrophobicContact CB-CB 4.47Å; L276-V324 HydrophobicContact CD1-CB 3.8Å; L276-V324 HydrophobicContact CD1-CG1 3.41Å; L276-V324 VanDerWaalsContact CD1-CG1 3.41Å; L276-V324 HydrophobicContact CG-CB 4.01Å; L276-V324 HydrophobicContact CG-CG1 3.84Å; L276-V324 PolarHBondContact N-O 2.6Å; L276-V332 HydrophobicContact CD1-CG1 4.18Å; L276-V332 HydrophobicContact CD2-CG1 3.99Å; L276-V332 HydrophobicContact CG-CG1 4.3Å; L276-F386 HydrophobicContact CB-CE1 4.27Å; L276-F386 HydrophobicContact CD1-CE1 3.76Å; L276-F386 HydrophobicContact CD1-CE2 4.22Å; L276-F386 HydrophobicContact CD1-CZ 3.34Å
277	R	96	Very high	94.7	Very high	78 Å²	78	42.1 Å²	42.1	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-61.1	-43.8	172	-176.3	-166.3	167.6	-67.8	-9.1	110.4	D275 H279 I280 Y281 P321 E322	D275-R277 PolarHBondContact O-N 3.29Å; D275-R277 WeakPolarHBondContact OD1-CA 3.4Å; D275-R277 WeakPolarHBondContact OD1-CB 3.4Å; D275-R277 PolarHBondContact OD1-N 3.37Å; D275-R277 VanDerWaalsContact OD1-N 3.16Å; R277-H279 VanDerWaalsContact C-N 3.29Å; R277-H279 PolarHBondContact O-N 3.18Å; R277-I280 PolarHBondContact O-N 2.94Å; R277-Y281 HydrophobicContact CG-CD2 3.67Å; R277-Y281 HydrophobicContact CG-CE2 4Å; R277-Y281 VanDerWaalsContact O-CD2 3.28Å; R277-Y281 WeakPolarHBondContact O-CD2 3.49Å; R277-Y281 PolarHBondContact O-N 2.64Å; R277-Y281 VanDerWaalsContact O-N 3.14Å; R277-P321 HydrophobicContact CB-CB 3.91Å; R277-P321 PolarHBondContact N-O 3.15Å; R277-E322 HydrophobicContact CB-CG 3.91Å; R277-E322 VanDerWaalsContact CD-CG 3.42Å; R277-E322 WeakPolarHBondContact CD-OE1 3.11Å; R277-E322 HydrophobicContact CG-CG 4.25Å; R277-E322 IonicContact NE-OE1 2.95Å
278	Y	94.7	Very high	94.5	Very high	49 Å²	49	43.5 Å²	43.5	19%	0.192	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-42.6	175	-169.3	-86.2	0	0	0	111.1	D275 L276 Y281 N282 V283 Y481	D275-Y278 WeakPolarHBondContact O-CB 3.5Å; D275-Y278 PolarHBondContact O-N 2.82Å; D275-Y278 PolarHBondContact OD1-N 2.88Å; L276-Y278 VanDerWaalsContact C-N 3.32Å; L276-Y278 PolarHBondContact O-N 2.85Å; Y278-Y281 PolarHBondContact O-N 2.85Å; Y278-N282 HydrophobicContact CD1-CB 4.19Å; Y278-N282 HydrophobicContact CD2-CB 3.88Å; Y278-N282 HydrophobicContact CE1-CB 4.12Å; Y278-N282 HydrophobicContact CE2-CB 3.82Å; Y278-N282 HydrophobicContact CG-CB 4.07Å; Y278-N282 WeakPolarHBondContact O-CA 3.46Å; Y278-N282 WeakPolarHBondContact O-CB 3.21Å; Y278-N282 PolarHBondContact O-N 2.82Å; Y278-V283 HydrophobicContact CD1-CG2 3.93Å; Y278-V283 HydrophobicContact CE1-CG2 4Å; Y278-V283 PolarHBondContact O-N 3.47Å; Y278-Y481 HydrophobicContact CD1-CD1 4.2Å; Y278-Y481 HydrophobicContact CE1-CD1 4.01Å
279	H	97.2	Very high	94.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.019	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-40.7	177	-76.5	-86	0	0	0	113.8	G273 D275 L276 R277 V283 F290 R294 F473 Y481	G273-H279 PolarHBondContact O-NE2 3.15Å; D275-H279 PolarHBondContact O-CD2 2.85Å; D275-H279 PolarHBondContact O-N 2.95Å; L276-H279 PolarHBondContact O-N 3.49Å; R277-H279 VanDerWaalsContact C-N 3.29Å; R277-H279 PolarHBondContact O-N 3.18Å; H279-V283 HydrophobicContact CB-CG2 4.47Å; H279-F290 HydrophobicContact CB-CE1 3.67Å; H279-F290 HydrophobicContact CB-CZ 3.63Å; H279-R294 PolarHBondContact ND1-NH2 3.26Å; H279-F473 AromaticContact CE1-CE1 3.46Å; H279-F473 VanDerWaalsContact CE1-CE1 3.46Å; H279-F473 WeakPolarHBondContact CE1-CE1 3.27Å; H279-F473 AromaticContact CE1-CZ 3.94Å; H279-F473 AromaticContact ND1-CE1 3.72Å; H279-Y481 AromaticContact CE1-CD1 3.75Å; H279-Y481 AromaticContact CE1-CE1 3.94Å
280	I	96.8	Very high	94.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.7	-39.9	179.5	-67.1	161.2	0	0	0	111.3	L276 R277 P288 G289 F290 P321 E385 F386 A389	L276-I280 WeakPolarHBondContact O-CD1 3.49Å; L276-I280 WeakPolarHBondContact O-CG1 3.19Å; L276-I280 PolarHBondContact O-N 3.1Å; R277-I280 PolarHBondContact O-N 2.94Å; I280-P288 CarbonylContact O-C 3.57Å; I280-P288 WeakPolarHBondContact O-CA 3.43Å; I280-P288 VanDerWaalsContact O-CB 3.29Å; I280-P288 WeakPolarHBondContact O-CB 3.42Å; I280-G289 PolarHBondContact O-N 3.49Å; I280-F290 HydrophobicContact CB-CZ 4.48Å; I280-F290 HydrophobicContact CD1-CE2 4.38Å; I280-F290 HydrophobicContact CD1-CZ 4.42Å; I280-F290 HydrophobicContact CG1-CD2 4.44Å; I280-F290 HydrophobicContact CG1-CE1 3.93Å; I280-F290 HydrophobicContact CG1-CE2 3.75Å; I280-F290 HydrophobicContact CG1-CZ 3.45Å; I280-F290 VanDerWaalsContact CG1-CZ 3.45Å; I280-P321 HydrophobicContact CD1-CB 3.73Å; I280-P321 HydrophobicContact CD1-CG 3.85Å; I280-E385 HydrophobicContact CD1-CG 4.49Å; I280-F386 HydrophobicContact CD1-CD1 3.58Å; I280-F386 HydrophobicContact CD1-CE1 4.01Å; I280-F386 HydrophobicContact CG1-CD1 4.29Å; I280-A389 HydrophobicContact CG2-CB 4.06Å
281	Y	95.2	Very high	94.7	Very high	38 Å²	38	46.5 Å²	46.5	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-113.7	-20.8	-163.6	-67.2	-68.8	0	0	0	115.6	R277 Y278 E385 A389	R277-Y281 HydrophobicContact CG-CD2 3.67Å; R277-Y281 HydrophobicContact CG-CE2 4Å; R277-Y281 VanDerWaalsContact O-CD2 3.28Å; R277-Y281 WeakPolarHBondContact O-CD2 3.49Å; R277-Y281 PolarHBondContact O-N 2.64Å; R277-Y281 VanDerWaalsContact O-N 3.14Å; Y278-Y281 PolarHBondContact O-N 2.85Å; Y281-E385 WeakPolarHBondContact CE2-OE1 3.39Å; Y281-E385 WeakPolarHBondContact OH-CG 3.36Å; Y281-E385 PolarHBondContact OH-OE1 3.37Å; Y281-A389 HydrophobicContact CE1-CB 4.15Å; Y281-A389 WeakPolarHBondContact CE1-O 3.11Å
282	N	94.1	Very high	94.9	Very high	52 Å²	52	48.1 Å²	48.1	28%	0.278	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-16	-167.2	-68.7	107.7	0	0	0	114.7	Y278 E285	Y278-N282 HydrophobicContact CD1-CB 4.19Å; Y278-N282 HydrophobicContact CD2-CB 3.88Å; Y278-N282 HydrophobicContact CE1-CB 4.12Å; Y278-N282 HydrophobicContact CE2-CB 3.82Å; Y278-N282 HydrophobicContact CG-CB 4.07Å; Y278-N282 WeakPolarHBondContact O-CA 3.46Å; Y278-N282 WeakPolarHBondContact O-CB 3.21Å; Y278-N282 PolarHBondContact O-N 2.82Å; N282-E285 PolarHBondContact ND2-OE1 3.06Å
283	V	92.2	Very high	95.2	Very high	62 Å²	62	51.7 Å²	51.7	38%	0.376	27%	0.274	S	S	.	.	S	Bend	trans	-76.8	-47.6	178.3	171.3	0	0	0	0	111.5	Y278 H279 Y481	Y278-V283 HydrophobicContact CD1-CG2 3.93Å; Y278-V283 HydrophobicContact CE1-CG2 4Å; Y278-V283 PolarHBondContact O-N 3.47Å; H279-V283 HydrophobicContact CB-CG2 4.47Å; V283-Y481 HydrophobicContact CG2-CD1 3.98Å; V283-Y481 HydrophobicContact CG2-CE1 4.03Å
284	D	92.8	Very high	95.5	Very high	68 Å²	68	52.9 Å²	52.9	36%	0.364	28%	0.278	S	S	.	.	S	Bend	trans	-125.3	92.4	167.1	-174.5	-8.9	0	0	0	108.9	N286 N287	D284-N286 PolarHBondContact O-N 3.24Å; D284-N286 WeakPolarHBondContact OD1-CB 3.49Å; D284-N286 PolarHBondContact OD1-N 3.34Å; D284-N287 CarbonylContact O-C 3.55Å; D284-N287 VanDerWaalsContact O-C 3.25Å; D284-N287 PolarHBondContact O-N 3.5Å; D284-N287 PolarHBondContact OD1-N 3.4Å; D284-N287 VanDerWaalsContact OD1-N 3.1Å; D284-N287 WeakPolarHBondContact OD2-CB 3.42Å; D284-N287 PolarHBondContact OD2-ND2 3.28Å
285	E	91.3	Very high	95.7	Very high	126 Å²	126	52.3 Å²	52.3	59%	0.589	27%	0.272	S	S	*	.	S	Bend	trans	-65.6	-22	-178	-59.2	-166.8	164.6	0	0	112.9	N282	N282-E285 PolarHBondContact ND2-OE1 3.06Å
286	N	93.7	Very high	95.8	Very high	144 Å²	144	50.7 Å²	50.7	77%	0.77	26%	0.264	S	S	*	.	S	Bend	trans	-81.2	-31.8	178.9	-61.8	-50.3	0	0	0	111.5	D284 P288	D284-N286 PolarHBondContact O-N 3.24Å; D284-N286 WeakPolarHBondContact OD1-CB 3.49Å; D284-N286 PolarHBondContact OD1-N 3.34Å; N286-P288 WeakPolarHBondContact O-CD 3.24Å
287	N	93.6	Very high	95.9	Very high	114 Å²	114	51.1 Å²	51.1	61%	0.61	27%	0.266	S	S	*	.	S	Bend	trans	-125.3	69.9	178.2	-51.4	-73.1	0	0	0	111	D284	D284-N287 CarbonylContact O-C 3.55Å; D284-N287 VanDerWaalsContact O-C 3.25Å; D284-N287 PolarHBondContact O-N 3.5Å; D284-N287 PolarHBondContact OD1-N 3.4Å; D284-N287 VanDerWaalsContact OD1-N 3.1Å; D284-N287 WeakPolarHBondContact OD2-CB 3.42Å; D284-N287 PolarHBondContact OD2-ND2 3.28Å
288	P	95.4	Very high	96	Very high	29 Å²	29	47.4 Å²	47.4	19%	0.188	25%	0.252	C	S	.	.			trans	-71.4	148.6	-176.6	32.8	-38	0	0	0	111.7	I280 N286 A389	I280-P288 CarbonylContact O-C 3.57Å; I280-P288 WeakPolarHBondContact O-CA 3.43Å; I280-P288 VanDerWaalsContact O-CB 3.29Å; I280-P288 WeakPolarHBondContact O-CB 3.42Å; N286-P288 WeakPolarHBondContact O-CD 3.24Å; P288-A389 HydrophobicContact CB-CB 3.73Å; P288-A389 HydrophobicContact CG-CB 4.01Å; P288-A389 WeakPolarHBondContact O-CB 3.3Å
289	G	96.3	Very high	96.2	Very high	18 Å²	18	45.1 Å²	45.1	19%	0.186	24%	0.243	C	C	.	.	S	Bend	trans	102.4	-179.6	-173.3	0	0	0	0	0	112.8	I280 F386	I280-G289 PolarHBondContact O-N 3.49Å; G289-F386 CarbonylContact C-O 3.47Å; G289-F386 WeakPolarHBondContact CA-O 3.47Å
290	F	97.9	Very high	96.3	Very high	15 Å²	15	45 Å²	45	7%	0.066	24%	0.242	C	C	.	.			trans	-113.6	153.1	176.4	-56.5	-32.3	0	0	0	110.4	L276 H279 I280 R294 A295 Y298 F386	L276-F290 HydrophobicContact CD2-CE2 4.46Å; L276-F290 HydrophobicContact CD2-CZ 4.29Å; H279-F290 HydrophobicContact CB-CE1 3.67Å; H279-F290 HydrophobicContact CB-CZ 3.63Å; I280-F290 HydrophobicContact CB-CZ 4.48Å; I280-F290 HydrophobicContact CD1-CE2 4.38Å; I280-F290 HydrophobicContact CD1-CZ 4.42Å; I280-F290 HydrophobicContact CG1-CD2 4.44Å; I280-F290 HydrophobicContact CG1-CE1 3.93Å; I280-F290 HydrophobicContact CG1-CE2 3.75Å; I280-F290 HydrophobicContact CG1-CZ 3.45Å; I280-F290 VanDerWaalsContact CG1-CZ 3.45Å; F290-R294 HydrophobicContact CB-CB 4.23Å; F290-R294 HydrophobicContact CB-CG 4.3Å; F290-R294 HydrophobicContact CG-CG 4.22Å; F290-A295 HydrophobicContact CB-CB 4.28Å; F290-Y298 HydrophobicContact CD2-CD2 4.07Å; F290-Y298 HydrophobicContact CD2-CE2 4.28Å; F290-Y298 AromaticContact CE2-CD2 3.81Å; F290-Y298 HydrophobicContact CE2-CD2 3.81Å; F290-Y298 AromaticContact CE2-CE2 3.92Å; F290-Y298 HydrophobicContact CE2-CE2 3.92Å; F290-Y298 HydrophobicContact CZ-CE2 4.2Å; F290-F386 HydrophobicContact CD2-CB 3.76Å; F290-F386 HydrophobicContact CD2-CD1 4.11Å; F290-F386 HydrophobicContact CD2-CD2 4.19Å; F290-F386 AromaticContact CD2-CG 3.77Å; F290-F386 HydrophobicContact CD2-CG 3.77Å; F290-F386 HydrophobicContact CE2-CB 4.35Å; F290-F386 AromaticContact CE2-CD1 3.82Å; F290-F386 HydrophobicContact CE2-CD1 3.82Å; F290-F386 HydrophobicContact CE2-CD2 4.41Å; F290-F386 HydrophobicContact CE2-CE1 4.17Å; F290-F386 AromaticContact CE2-CG 3.94Å; F290-F386 HydrophobicContact CE2-CG 3.94Å; F290-F386 PolarHBondContact N-O 2.86Å
291	D	96.4	Very high	96.4	Very high	99 Å²	99	45 Å²	45	53%	0.529	24%	0.243	S	C	.	.			trans	-68.1	157.5	159.8	61.5	-29.6	0	0	0	110.5	R294 A295	D291-R294 PolarHBondContact O-N 3.37Å; D291-R294 WeakPolarHBondContact OD1-CB 3.29Å; D291-A295 PolarHBondContact O-N 3.1Å
292	E	97.3	Very high	96.5	Very high	49 Å²	49	43.2 Å²	43.2	23%	0.229	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-42.1	-174.4	-66.6	-168.5	170.9	0	0	114	R294 A295 C296 L387 S421 A424	E292-R294 VanDerWaalsContact C-N 3.32Å; E292-R294 PolarHBondContact O-N 3.2Å; E292-A295 PolarHBondContact O-N 3.26Å; E292-C296 WeakPolarHBondContact O-CB 3.28Å; E292-C296 PolarHBondContact O-N 2.7Å; E292-L387 HydrophobicContact CB-CD2 4.45Å; E292-L387 HydrophobicContact CG-CD2 3.79Å; E292-S421 VanDerWaalsContact OE1-CB 3.31Å; E292-S421 WeakPolarHBondContact OE1-CB 3.29Å; E292-S421 PolarHBondContact OE1-N 3.04Å; E292-S421 PolarHBondContact OE1-OG 2.69Å; E292-S421 VanDerWaalsContact OE1-OG 3.04Å; E292-S421 WeakPolarHBondContact OE2-CB 3.18Å; E292-S421 PolarHBondContact OE2-OG 3.42Å; E292-A424 WeakPolarHBondContact OE1-CB 3.42Å
293	P	97.9	Very high	96.8	Very high	84 Å²	84	40.8 Å²	40.8	55%	0.545	22%	0.223	S	C	.	.	H	α-helix	trans	-59.1	-41.1	177.6	-26.3	36.4	0	0	0	113	C296 Y297	P293-C296 PolarHBondContact O-N 3.17Å; P293-Y297 WeakPolarHBondContact O-CB 3.31Å; P293-Y297 PolarHBondContact O-N 3.48Å
294	R	98.4	Very high	97.1	Very high	25 Å²	25	38.4 Å²	38.4	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-69.1	-43.3	176.9	-175	176	-174.6	-165.8	-3.7	112.3	H279 F290 D291 E292 C296 Y297 Y298 P472	H279-R294 PolarHBondContact ND1-NH2 3.26Å; F290-R294 HydrophobicContact CB-CB 4.23Å; F290-R294 HydrophobicContact CB-CG 4.3Å; F290-R294 HydrophobicContact CG-CG 4.22Å; D291-R294 PolarHBondContact O-N 3.37Å; D291-R294 WeakPolarHBondContact OD1-CB 3.29Å; E292-R294 VanDerWaalsContact C-N 3.32Å; E292-R294 PolarHBondContact O-N 3.2Å; R294-C296 VanDerWaalsContact C-N 3.33Å; R294-C296 PolarHBondContact O-N 2.9Å; R294-Y297 PolarHBondContact O-N 2.83Å; R294-Y298 HydrophobicContact CG-CD2 4.05Å; R294-Y298 HydrophobicContact CG-CE2 3.46Å; R294-Y298 VanDerWaalsContact CG-CE2 3.46Å; R294-Y298 VanDerWaalsContact NE-CE2 3.35Å; R294-Y298 PolarHBondContact NE-OH 3.43Å; R294-Y298 PolarHBondContact NH2-OH 2.83Å; R294-Y298 WeakPolarHBondContact O-CD2 3.46Å; R294-Y298 PolarHBondContact O-N 3.4Å; R294-Y298 VanDerWaalsContact O-N 3.14Å; R294-P472 HydrophobicContact CB-CB 4.36Å; R294-P472 HydrophobicContact CB-CG 4.06Å; R294-P472 HydrophobicContact CG-CG 4.17Å
295	A	98.5	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-41.8	175.1	0	0	0	0	0	111.8	F290 D291 E292 A299 L383 F386 L387	F290-A295 HydrophobicContact CB-CB 4.28Å; D291-A295 PolarHBondContact O-N 3.1Å; E292-A295 PolarHBondContact O-N 3.26Å; A295-A299 VanDerWaalsContact O-CB 3.24Å; A295-A299 WeakPolarHBondContact O-CB 3.29Å; A295-A299 PolarHBondContact O-N 2.83Å; A295-L383 HydrophobicContact CB-CD1 4.05Å; A295-F386 HydrophobicContact CB-CB 3.99Å; A295-F386 HydrophobicContact CB-CD2 4.17Å; A295-L387 HydrophobicContact CB-CD2 3.62Å; A295-L387 HydrophobicContact CB-CG 4.16Å
296	C	98.6	Very high	97.7	Very high	11 Å²	11	29.2 Å²	29.2	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-48.6	176.9	-179.7	0	0	0	0	111.6	E292 P293 R294 Y298 A299 A300 F455 F456	E292-C296 WeakPolarHBondContact O-CB 3.28Å; E292-C296 PolarHBondContact O-N 2.7Å; P293-C296 PolarHBondContact O-N 3.17Å; R294-C296 VanDerWaalsContact C-N 3.33Å; R294-C296 PolarHBondContact O-N 2.9Å; C296-Y298 PolarHBondContact O-N 2.95Å; C296-A299 PolarHBondContact O-N 2.96Å; C296-A300 WeakPolarHBondContact O-CB 3.38Å; C296-A300 PolarHBondContact O-N 3.02Å; C296-F455 HydrophobicContact CB-CD1 4.4Å; C296-F455 HydrophobicContact CB-CE1 3.73Å; C296-F455 HydrophobicContact CB-CE2 4.47Å; C296-F455 HydrophobicContact CB-CZ 3.76Å; C296-F455 PolarHBondContact SG-O 3.33Å; C296-F456 VanDerWaalsContact SG-CD1 3.53Å
297	Y	98.8	Very high	97.9	Very high	9 Å²	9	23 Å²	23	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-57.6	-48.5	177.7	-174.6	-93.8	0	0	0	112.4	P293 R294 A300 Q301 N331 L464 L469 P471 P472	P293-Y297 WeakPolarHBondContact O-CB 3.31Å; P293-Y297 PolarHBondContact O-N 3.48Å; R294-Y297 PolarHBondContact O-N 2.83Å; Y297-A300 PolarHBondContact O-N 2.85Å; Y297-Q301 WeakPolarHBondContact O-CG 3.23Å; Y297-Q301 PolarHBondContact O-N 2.95Å; Y297-Q301 PolarHBondContact OH-NE2 3.46Å; Y297-Q301 VanDerWaalsContact OH-NE2 3.17Å; Y297-N331 PolarHBondContact OH-OD1 2.88Å; Y297-L464 HydrophobicContact CD2-CD1 4.36Å; Y297-L464 HydrophobicContact CE2-CD1 4.02Å; Y297-L469 HydrophobicContact CD2-CD2 4.09Å; Y297-L469 HydrophobicContact CE2-CB 4.41Å; Y297-L469 HydrophobicContact CE2-CD2 3.83Å; Y297-L469 HydrophobicContact CE2-CG 4.02Å; Y297-L469 PolarHBondContact OH-O 3.02Å; Y297-P471 HydrophobicContact CE1-CB 4.04Å; Y297-P472 VanDerWaalsContact CD1-CD 3.48Å; Y297-P472 HydrophobicContact CD1-CG 4.15Å; Y297-P472 HydrophobicContact CG-CG 3.91Å
298	Y	98.8	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-40.7	178.2	-62.2	-30.3	0	0	0	112.6	L276 F290 R294 C296 A300 Q301 I302 L326 V332	L276-Y298 HydrophobicContact CD1-CD2 4.02Å; L276-Y298 HydrophobicContact CD1-CG 4.23Å; L276-Y298 HydrophobicContact CD2-CD2 3.96Å; L276-Y298 HydrophobicContact CD2-CE2 3.78Å; F290-Y298 HydrophobicContact CD2-CD2 4.07Å; F290-Y298 HydrophobicContact CD2-CE2 4.28Å; F290-Y298 AromaticContact CE2-CD2 3.81Å; F290-Y298 HydrophobicContact CE2-CD2 3.81Å; F290-Y298 AromaticContact CE2-CE2 3.92Å; F290-Y298 HydrophobicContact CE2-CE2 3.92Å; F290-Y298 HydrophobicContact CZ-CE2 4.2Å; R294-Y298 HydrophobicContact CG-CD2 4.05Å; R294-Y298 HydrophobicContact CG-CE2 3.46Å; R294-Y298 VanDerWaalsContact CG-CE2 3.46Å; R294-Y298 VanDerWaalsContact NE-CE2 3.35Å; R294-Y298 PolarHBondContact NE-OH 3.43Å; R294-Y298 PolarHBondContact NH2-OH 2.83Å; R294-Y298 WeakPolarHBondContact O-CD2 3.46Å; R294-Y298 PolarHBondContact O-N 3.4Å; R294-Y298 VanDerWaalsContact O-N 3.14Å; C296-Y298 PolarHBondContact O-N 2.95Å; Y298-A300 VanDerWaalsContact C-N 3.3Å; Y298-A300 PolarHBondContact O-N 3.1Å; Y298-Q301 PolarHBondContact O-N 3.27Å; Y298-I302 WeakPolarHBondContact O-CD1 3.49Å; Y298-I302 VanDerWaalsContact O-CG1 3.23Å; Y298-I302 WeakPolarHBondContact O-CG1 3.24Å; Y298-I302 PolarHBondContact O-N 3.44Å; Y298-L326 HydrophobicContact CE1-CD1 3.76Å; Y298-V332 HydrophobicContact CD1-CB 4.45Å; Y298-V332 HydrophobicContact CD1-CG1 3.49Å; Y298-V332 VanDerWaalsContact CD1-CG1 3.49Å; Y298-V332 HydrophobicContact CD1-CG2 4.11Å; Y298-V332 HydrophobicContact CE1-CG1 3.77Å; Y298-V332 HydrophobicContact CG-CG1 4.05Å
299	A	98.8	Very high	98.3	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-60.7	-40.3	175.5	0	0	0	0	0	111.6	A295 C296 Q301 I302 I303 L383 F456	A295-A299 VanDerWaalsContact O-CB 3.24Å; A295-A299 WeakPolarHBondContact O-CB 3.29Å; A295-A299 PolarHBondContact O-N 2.83Å; C296-A299 PolarHBondContact O-N 2.96Å; A299-Q301 PolarHBondContact O-N 3.21Å; A299-I302 PolarHBondContact O-N 3.01Å; A299-I303 VanDerWaalsContact O-CG1 3.27Å; A299-I303 WeakPolarHBondContact O-CG1 3.37Å; A299-I303 PolarHBondContact O-N 3.4Å; A299-L383 HydrophobicContact CB-CD1 4.26Å; A299-F456 HydrophobicContact CB-CE1 4.07Å; A299-F456 HydrophobicContact CB-CZ 4.32Å
300	A	98.8	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.9	-43.6	176.2	0	0	0	0	0	111.9	C296 Y297 Y298 I303 Q304 F456 I459 W461 L464	C296-A300 WeakPolarHBondContact O-CB 3.38Å; C296-A300 PolarHBondContact O-N 3.02Å; Y297-A300 PolarHBondContact O-N 2.85Å; Y298-A300 VanDerWaalsContact C-N 3.3Å; Y298-A300 PolarHBondContact O-N 3.1Å; A300-I303 PolarHBondContact O-N 2.61Å; A300-Q304 WeakPolarHBondContact O-CG 3.23Å; A300-Q304 PolarHBondContact O-N 2.99Å; A300-F456 HydrophobicContact CB-CD1 4.14Å; A300-F456 HydrophobicContact CB-CE1 4.19Å; A300-I459 HydrophobicContact CB-CG1 4.32Å; A300-I459 HydrophobicContact CB-CG2 4.17Å; A300-W461 HydrophobicContact CB-CH2 3.64Å; A300-W461 HydrophobicContact CB-CZ2 4.44Å; A300-W461 HydrophobicContact CB-CZ3 3.7Å; A300-L464 HydrophobicContact CB-CD2 3.7Å
301	Q	98.8	Very high	98.3	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-39.6	176.3	-66.3	-168.8	-12	0	0	112.8	F250 Y297 Y298 A299 I303 Q304 G305 N331 V332 L464	F250-Q301 HydrophobicContact CD1-CB 3.8Å; F250-Q301 HydrophobicContact CD1-CG 4.11Å; F250-Q301 HydrophobicContact CE1-CB 3.97Å; F250-Q301 HydrophobicContact CE1-CG 3.78Å; Y297-Q301 WeakPolarHBondContact O-CG 3.23Å; Y297-Q301 PolarHBondContact O-N 2.95Å; Y297-Q301 PolarHBondContact OH-NE2 3.46Å; Y297-Q301 VanDerWaalsContact OH-NE2 3.17Å; Y298-Q301 PolarHBondContact O-N 3.27Å; A299-Q301 PolarHBondContact O-N 3.21Å; Q301-I303 VanDerWaalsContact C-N 3.33Å; Q301-I303 PolarHBondContact O-N 2.95Å; Q301-Q304 PolarHBondContact O-N 2.81Å; Q301-G305 PolarHBondContact O-N 2.84Å; Q301-N331 PolarHBondContact NE2-OD1 3.35Å; Q301-V332 HydrophobicContact CB-CG2 3.62Å; Q301-V332 HydrophobicContact CG-CG2 4.43Å; Q301-V332 VanDerWaalsContact OE1-CG2 3.25Å; Q301-L464 HydrophobicContact CG-CD1 3.7Å; Q301-L464 HydrophobicContact CG-CD2 4.34Å; Q301-L464 HydrophobicContact CG-CG 4.21Å
302	I	98.9	Very high	98.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-41.8	175.4	-66.4	162	0	0	0	110.7	Y298 A299 Q304 G305 M306 L319 V324 V332 I334 L379 F386	Y298-I302 WeakPolarHBondContact O-CD1 3.49Å; Y298-I302 VanDerWaalsContact O-CG1 3.23Å; Y298-I302 WeakPolarHBondContact O-CG1 3.24Å; Y298-I302 PolarHBondContact O-N 3.44Å; A299-I302 PolarHBondContact O-N 3.01Å; I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 3.26Å; I302-G305 PolarHBondContact O-N 3.25Å; I302-M306 HydrophobicContact CG2-CG 4.32Å; I302-M306 HydrophobicContact CG2-SD 3.91Å; I302-M306 WeakPolarHBondContact O-CG 3.45Å; I302-M306 PolarHBondContact O-N 3.28Å; I302-L319 HydrophobicContact CG2-CD1 3.86Å; I302-L319 HydrophobicContact CG2-CD2 3.76Å; I302-L319 HydrophobicContact CG2-CG 4.49Å; I302-V324 HydrophobicContact CD1-CG1 4.13Å; I302-V324 HydrophobicContact CD1-CG2 3.99Å; I302-V324 HydrophobicContact CG1-CG1 4.14Å; I302-V324 HydrophobicContact CG1-CG2 4.23Å; I302-V332 HydrophobicContact CG1-CG2 4.43Å; I302-I334 HydrophobicContact CG2-CD1 4.31Å; I302-L379 HydrophobicContact CB-CD1 4.36Å; I302-L379 HydrophobicContact CG2-CD1 3.87Å; I302-F386 HydrophobicContact CD1-CE2 4.13Å; I302-F386 HydrophobicContact CD1-CZ 3.96Å
303	I	98.7	Very high	98.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-57.3	-44.8	176.2	-73.4	163.3	0	0	0	110.8	A299 A300 Q301 M306 E307 L379 C447 F456 W461	A299-I303 VanDerWaalsContact O-CG1 3.27Å; A299-I303 WeakPolarHBondContact O-CG1 3.37Å; A299-I303 PolarHBondContact O-N 3.4Å; A300-I303 PolarHBondContact O-N 2.61Å; Q301-I303 VanDerWaalsContact C-N 3.33Å; Q301-I303 PolarHBondContact O-N 2.95Å; I303-M306 PolarHBondContact O-N 3.08Å; I303-E307 WeakPolarHBondContact O-CB 3.22Å; I303-E307 PolarHBondContact O-N 3.32Å; I303-L379 HydrophobicContact CD1-CD2 4.14Å; I303-L379 HydrophobicContact CG1-CD2 3.6Å; I303-C447 HydrophobicContact CG2-CB 3.8Å; I303-F456 HydrophobicContact CD1-CE1 4.05Å; I303-F456 HydrophobicContact CD1-CE2 3.88Å; I303-F456 HydrophobicContact CD1-CZ 3.4Å; I303-F456 VanDerWaalsContact CD1-CZ 3.4Å; I303-W461 HydrophobicContact CD1-CH2 4.41Å
304	Q	98.5	Very high	98.4	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.056	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-37.9	178.5	-62.1	-68.2	-28.6	0	0	112.2	F250 A300 Q301 I302 H308 R451 W461 L464 N465	F250-Q304 HydrophobicContact CD2-CB 3.27Å; F250-Q304 HydrophobicContact CD2-CG 4.3Å; F250-Q304 HydrophobicContact CE2-CB 3.28Å; F250-Q304 HydrophobicContact CE2-CG 3.84Å; F250-Q304 HydrophobicContact CG-CB 3.92Å; F250-Q304 HydrophobicContact CZ-CB 3.95Å; F250-Q304 HydrophobicContact CZ-CG 4.14Å; A300-Q304 WeakPolarHBondContact O-CG 3.23Å; A300-Q304 PolarHBondContact O-N 2.99Å; Q301-Q304 PolarHBondContact O-N 2.81Å; I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 3.26Å; Q304-H308 PolarHBondContact O-N 3.22Å; Q304-H308 VanDerWaalsContact O-N 3.12Å; Q304-R451 VanDerWaalsContact NE2-NH2 3.14Å; Q304-W461 HydrophobicContact CG-CE3 4.39Å; Q304-W461 HydrophobicContact CG-CZ3 4.16Å; Q304-W461 VanDerWaalsContact NE2-CZ3 3.3Å; Q304-L464 HydrophobicContact CG-CD2 4.16Å; Q304-N465 WeakPolarHBondContact CG-OD1 3.36Å; Q304-N465 PolarHBondContact OE1-ND2 3.35Å; Q304-N465 PolarHBondContact OE1-OD1 3.04Å; Q304-N465 VanDerWaalsContact OE1-OD1 3.07Å
305	G	98.5	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.9	-45.1	173.1	0	0	0	0	0	112.7	Q301 I302 H308 L309	Q301-G305 PolarHBondContact O-N 2.84Å; I302-G305 PolarHBondContact O-N 3.25Å; G305-H308 PolarHBondContact O-N 3.14Å; G305-L309 PolarHBondContact O-N 3.5Å
306	M	98.6	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-66.7	-43.7	177.2	-74.2	176.5	47.8	0	0	112.4	I302 I303 H308 L309 H310 L319 I334 D375 Y376 L379	I302-M306 HydrophobicContact CG2-CG 4.32Å; I302-M306 HydrophobicContact CG2-SD 3.91Å; I302-M306 WeakPolarHBondContact O-CG 3.45Å; I302-M306 PolarHBondContact O-N 3.28Å; I303-M306 PolarHBondContact O-N 3.08Å; M306-H308 VanDerWaalsContact C-N 3.27Å; M306-H308 PolarHBondContact O-N 3.44Å; M306-L309 WeakPolarHBondContact O-CB 3.42Å; M306-L309 PolarHBondContact O-N 2.94Å; M306-L309 VanDerWaalsContact O-N 3.09Å; M306-H310 PolarHBondContact O-CD2 3.27Å; M306-H310 PolarHBondContact O-N 3.06Å; M306-H310 PolarHBondContact O-ND1 3.35Å; M306-L319 HydrophobicContact SD-CD2 3.83Å; M306-I334 HydrophobicContact CG-CD1 3.93Å; M306-D375 HydrophobicContact CE-CB 3.35Å; M306-D375 HydrophobicContact SD-CB 4.39Å; M306-Y376 HydrophobicContact CE-CD1 3.77Å; M306-Y376 HydrophobicContact CE-CD2 4.24Å; M306-Y376 HydrophobicContact CE-CE1 3.69Å; M306-Y376 HydrophobicContact CE-CE2 4.15Å; M306-Y376 HydrophobicContact CE-CG 4.06Å; M306-L379 HydrophobicContact SD-CB 4.4Å
307	E	98.5	Very high	98.4	Very high	14 Å²	14	16.9 Å²	16.9	7%	0.065	7%	0.073	C	C	.	.	H	α-helix	trans	-57.6	-43.2	176.4	-167.7	-170.3	-125.1	0	0	111.1	I303 L309 H310 Q311 F442 S446 C447 R451	I303-E307 WeakPolarHBondContact O-CB 3.22Å; I303-E307 PolarHBondContact O-N 3.32Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 3.26Å; E307-H310 PolarHBondContact O-N 3Å; E307-H310 VanDerWaalsContact O-N 3.16Å; E307-Q311 HydrophobicContact CG-CG 4.33Å; E307-Q311 WeakPolarHBondContact O-CB 3.31Å; E307-Q311 WeakPolarHBondContact O-CG 3.19Å; E307-Q311 PolarHBondContact O-N 3.27Å; E307-F442 HydrophobicContact CG-CD2 4.21Å; E307-F442 HydrophobicContact CG-CE2 3.84Å; E307-S446 VanDerWaalsContact OE1-CA 3.25Å; E307-S446 WeakPolarHBondContact OE1-CA 3.37Å; E307-S446 WeakPolarHBondContact OE1-CB 3.42Å; E307-C447 HydrophobicContact CG-CB 4.47Å; E307-C447 PolarHBondContact OE1-N 2.92Å; E307-R451 IonicContact OE1-CZ 3.19Å; E307-R451 IonicContact OE1-NH1 3.95Å; E307-R451 PolarHBondContact OE1-NH1 3.3Å; E307-R451 IonicContact OE1-NH2 3.45Å; E307-R451 PolarHBondContact OE1-NH2 2.97Å; E307-R451 IonicContact OE2-CZ 2.65Å; E307-R451 IonicContact OE2-NH2 2.71Å; E307-R451 PolarHBondContact OE2-NH2 3.48Å
308	H	98.4	Very high	98.3	Very high	36 Å²	36	16.8 Å²	16.8	17%	0.167	7%	0.074	C	C	.	.	H	α-helix	trans	-60.7	-38.3	176.3	-173.5	89.5	0	0	0	112.8	H247 I251 Q304 G305 M306 K312	H247-H308 PolarHBondContact N-NE2 2.79Å; H247-H308 PolarHBondContact O-CE1 3.41Å; H247-H308 PolarHBondContact O-NE2 3.5Å; I251-H308 HydrophobicContact CD1-CB 4.46Å; Q304-H308 PolarHBondContact O-N 3.22Å; Q304-H308 VanDerWaalsContact O-N 3.12Å; G305-H308 PolarHBondContact O-N 3.14Å; M306-H308 VanDerWaalsContact C-N 3.27Å; M306-H308 PolarHBondContact O-N 3.44Å; H308-K312 WeakPolarHBondContact NE2-CE 3.12Å; H308-K312 PolarHBondContact O-N 3.46Å
309	L	98.5	Very high	98.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66	-46.3	173.3	-68.5	175.1	0	0	0	111.1	I242 V246 I251 G305 M306 E307 K312 R313 I314 Y316 L337	I242-L309 HydrophobicContact CG2-CD2 4.43Å; V246-L309 HydrophobicContact CG1-CD2 3.86Å; I251-L309 HydrophobicContact CD1-CD1 4.4Å; I251-L309 HydrophobicContact CD1-CD2 3.71Å; I251-L309 HydrophobicContact CD1-CG 3.73Å; G305-L309 PolarHBondContact O-N 3.5Å; M306-L309 WeakPolarHBondContact O-CB 3.42Å; M306-L309 PolarHBondContact O-N 2.94Å; M306-L309 VanDerWaalsContact O-N 3.09Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 3.26Å; L309-K312 CarbonylContact O-C 3.48Å; L309-K312 WeakPolarHBondContact O-CA 3.34Å; L309-K312 PolarHBondContact O-N 3.42Å; L309-R313 PolarHBondContact O-N 3.18Å; L309-I314 CarbonylContact C-O 3.57Å; L309-I314 HydrophobicContact CB-CB 4.22Å; L309-I314 HydrophobicContact CB-CG2 4.48Å; L309-I314 HydrophobicContact CD2-CB 4.34Å; L309-I314 HydrophobicContact CD2-CD1 4.47Å; L309-I314 HydrophobicContact CD2-CG2 4.09Å; L309-I314 WeakPolarHBondContact O-CB 3.43Å; L309-I314 PolarHBondContact O-N 3.38Å; L309-Y316 HydrophobicContact CD1-CG 4.29Å; L309-L337 HydrophobicContact CD1-CD2 4.08Å; L309-L337 HydrophobicContact CD2-CD2 4.38Å
310	H	98.3	Very high	98.2	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	8%	0.079	C	C	.	.	H	α-helix	trans	-66.6	-38.9	-177.2	-60.3	164.7	0	0	0	112.7	M306 E307 K312 R313 I314 Y372 D375 Y376 F442	M306-H310 PolarHBondContact O-CD2 3.27Å; M306-H310 PolarHBondContact O-N 3.06Å; M306-H310 PolarHBondContact O-ND1 3.35Å; E307-H310 PolarHBondContact O-N 3Å; E307-H310 VanDerWaalsContact O-N 3.16Å; H310-K312 PolarHBondContact O-N 3.41Å; H310-R313 WeakPolarHBondContact O-CA 3.45Å; H310-R313 PolarHBondContact O-N 3.23Å; H310-I314 PolarHBondContact CD2-O 3.48Å; H310-I314 VanDerWaalsContact CD2-O 3.29Å; H310-Y372 HydrophobicContact CB-CD1 3.96Å; H310-Y372 HydrophobicContact CB-CE1 4.29Å; H310-Y372 HydrophobicContact CB-CG 4.13Å; H310-Y372 AromaticContact CD2-CD1 3.42Å; H310-Y372 VanDerWaalsContact CD2-CD1 3.42Å; H310-Y372 WeakPolarHBondContact CD2-CD1 3.16Å; H310-Y372 AromaticContact CD2-CG 3.89Å; H310-Y372 AromaticContact CG-CD1 3.7Å; H310-Y372 AromaticContact CG-CG 3.83Å; H310-D375 IonicContact NE2-OD2 3.49Å; H310-D375 PolarHBondContact NE2-OD2 3.18Å; H310-Y376 AromaticContact CE1-CE2 3.27Å; H310-Y376 WeakPolarHBondContact CE1-CE2 3.48Å; H310-Y376 AromaticContact CE1-CZ 3.52Å; H310-Y376 PolarHBondContact CE1-OH 3.29Å; H310-Y376 AromaticContact ND1-CE2 3.5Å; H310-Y376 AromaticContact ND1-CZ 3.55Å; H310-Y376 PolarHBondContact ND1-OH 3.12Å; H310-F442 HydrophobicContact CB-CD1 3.97Å; H310-F442 HydrophobicContact CB-CD2 3.9Å; H310-F442 HydrophobicContact CB-CE1 3.99Å; H310-F442 HydrophobicContact CB-CE2 3.93Å; H310-F442 HydrophobicContact CB-CG 3.91Å; H310-F442 HydrophobicContact CB-CZ 3.96Å
311	Q	97.1	Very high	98.1	Very high	107 Å²	107	18.1 Å²	18.1	50%	0.5	8%	0.079	S	C	.	.	H	α-helix	trans	-60.9	-25.8	171.7	-74.4	172.8	-12.1	0	0	112.5	E307 F442 G445	E307-Q311 HydrophobicContact CG-CG 4.33Å; E307-Q311 WeakPolarHBondContact O-CB 3.31Å; E307-Q311 WeakPolarHBondContact O-CG 3.19Å; E307-Q311 PolarHBondContact O-N 3.27Å; Q311-F442 HydrophobicContact CG-CE2 4.1Å; Q311-F442 HydrophobicContact CG-CZ 4Å; Q311-G445 PolarHBondContact NE2-O 3.2Å
312	K	96.8	Very high	98	Very high	73 Å²	73	21.5 Å²	21.5	32%	0.317	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	13.3	172.8	-68.9	179	-179.7	-75.7	0	113.3	R245 V246 H308 L309 H310 I314	R245-K312 PolarHBondContact NH2-O 3.13Å; V246-K312 HydrophobicContact CG1-CD 4.11Å; H308-K312 WeakPolarHBondContact NE2-CE 3.12Å; H308-K312 PolarHBondContact O-N 3.46Å; L309-K312 CarbonylContact O-C 3.48Å; L309-K312 WeakPolarHBondContact O-CA 3.34Å; L309-K312 PolarHBondContact O-N 3.42Å; H310-K312 PolarHBondContact O-N 3.41Å; K312-I314 HydrophobicContact CB-CD1 4.08Å; K312-I314 HydrophobicContact CB-CG1 4.43Å; K312-I314 WeakPolarHBondContact O-CG1 3.18Å; K312-I314 PolarHBondContact O-N 2.88Å
313	R	97.5	Very high	97.9	Very high	61 Å²	61	22 Å²	22	23%	0.23	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	34.6	180	-52.8	179.1	63.6	82	-3.9	114.7	L309 H310 L343 A344 D345 Q347 Y372	L309-R313 PolarHBondContact O-N 3.18Å; H310-R313 WeakPolarHBondContact O-CA 3.45Å; H310-R313 PolarHBondContact O-N 3.23Å; R313-L343 HydrophobicContact CB-CB 4.34Å; R313-L343 PolarHBondContact NE-O 2.82Å; R313-L343 PolarHBondContact O-N 2.67Å; R313-A344 PolarHBondContact NE-O 2.78Å; R313-A344 PolarHBondContact NH2-O 3.04Å; R313-D345 PolarHBondContact NH2-O 2.79Å; R313-Q347 PolarHBondContact NH2-O 3.11Å; R313-Y372 WeakPolarHBondContact CA-OH 3.42Å
314	I	98.4	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.2	-177.1	-60.8	168	0	0	0	109.7	I242 V246 L309 H310 K312 A340 V341 E342	I242-I314 HydrophobicContact CD1-CG2 3.93Å; I242-I314 HydrophobicContact CG1-CD1 4.35Å; I242-I314 HydrophobicContact CG2-CD1 3.94Å; I242-I314 HydrophobicContact CG2-CG2 4.33Å; V246-I314 HydrophobicContact CG1-CD1 4.06Å; L309-I314 CarbonylContact C-O 3.57Å; L309-I314 HydrophobicContact CB-CB 4.22Å; L309-I314 HydrophobicContact CB-CG2 4.48Å; L309-I314 HydrophobicContact CD2-CB 4.34Å; L309-I314 HydrophobicContact CD2-CD1 4.47Å; L309-I314 HydrophobicContact CD2-CG2 4.09Å; L309-I314 WeakPolarHBondContact O-CB 3.43Å; L309-I314 PolarHBondContact O-N 3.38Å; H310-I314 PolarHBondContact CD2-O 3.48Å; H310-I314 VanDerWaalsContact CD2-O 3.29Å; K312-I314 HydrophobicContact CB-CD1 4.08Å; K312-I314 HydrophobicContact CB-CG1 4.43Å; K312-I314 WeakPolarHBondContact O-CG1 3.18Å; K312-I314 PolarHBondContact O-N 2.88Å; I314-A340 HydrophobicContact CG2-CB 4.1Å; I314-V341 CarbonylContact C-O 3.58Å; I314-V341 WeakPolarHBondContact CA-O 2.9Å; I314-E342 HydrophobicContact CG1-CB 4.3Å; I314-E342 HydrophobicContact CG1-CG 4.15Å
315	I	98.5	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.8	172.6	-48.9	170.3	0	0	0	108.1	R317 A340 V341 L343 I350 Y370 Y372 V374 D375	I315-R317 HydrophobicContact CB-CG 4.23Å; I315-R317 HydrophobicContact CG2-CG 3.56Å; I315-A340 CarbonylContact O-C 3.58Å; I315-A340 WeakPolarHBondContact O-CA 3.3Å; I315-A340 WeakPolarHBondContact O-CB 3.13Å; I315-V341 HydrophobicContact CB-CG1 3.98Å; I315-V341 HydrophobicContact CD1-CG1 4.23Å; I315-V341 HydrophobicContact CG1-CG1 4.42Å; I315-V341 PolarHBondContact N-O 3.17Å; I315-V341 PolarHBondContact O-N 2.86Å; I315-L343 HydrophobicContact CD1-CD1 4.12Å; I315-L343 HydrophobicContact CD1-CD2 3.94Å; I315-L343 HydrophobicContact CD1-CG 4.12Å; I315-L343 HydrophobicContact CG1-CD1 4.37Å; I315-L343 HydrophobicContact CG1-CG 4.4Å; I315-I350 HydrophobicContact CD1-CG2 3.77Å; I315-Y370 HydrophobicContact CD1-CD2 4.4Å; I315-Y370 HydrophobicContact CD1-CE2 4.41Å; I315-Y372 HydrophobicContact CG1-CD1 3.72Å; I315-Y372 HydrophobicContact CG1-CE1 3.99Å; I315-V374 HydrophobicContact CG2-CG2 3.61Å; I315-D375 WeakPolarHBondContact CG2-OD2 3.25Å
316	Y	98.5	Very high	97.8	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	10%	0.104	C	C	.	.			trans	-78.4	-46.9	-172.3	179.1	-150.4	0	0	0	113.8	L309 D318 L319 N323 I334 S335 D336 L337 L339 A340 D375	L309-Y316 HydrophobicContact CD1-CG 4.29Å; Y316-D318 PolarHBondContact O-N 3.25Å; Y316-D318 VanDerWaalsContact O-N 3.14Å; Y316-D318 PolarHBondContact OH-O 3.48Å; Y316-L319 HydrophobicContact CD1-CB 3.86Å; Y316-L319 VanDerWaalsContact CE1-CA 3.45Å; Y316-L319 HydrophobicContact CE1-CB 3.7Å; Y316-L319 HydrophobicContact CE1-CD1 4.12Å; Y316-N323 VanDerWaalsContact OH-CB 3.22Å; Y316-N323 WeakPolarHBondContact OH-CB 3.38Å; Y316-N323 PolarHBondContact OH-ND2 3.26Å; Y316-I334 HydrophobicContact CD1-CG2 4Å; Y316-I334 HydrophobicContact CE1-CG2 3.36Å; Y316-I334 HydrophobicContact CE2-CG2 3.95Å; Y316-I334 WeakPolarHBondContact OH-CG2 3.41Å; Y316-S335 PolarHBondContact OH-O 2.95Å; Y316-D336 WeakPolarHBondContact CE2-O 3.41Å; Y316-L337 HydrophobicContact CD2-CD2 3.52Å; Y316-L337 HydrophobicContact CE2-CD2 3.78Å; Y316-L337 HydrophobicContact CE2-CG 4.38Å; Y316-L337 HydrophobicContact CG-CD2 4.45Å; Y316-L339 CarbonylContact O-C 3.47Å; Y316-A340 WeakPolarHBondContact O-CA 3.35Å; Y316-A340 PolarHBondContact O-N 2.81Å; Y316-D375 PolarHBondContact N-OD2 2.87Å
317	R	98	Very high	97.6	Very high	35 Å²	35	24.1 Å²	24.1	13%	0.132	11%	0.109	C	C	.	.			trans	64.5	1	174.6	-51.1	-170.6	-62.7	-176.1	-4.3	118	I315 L339 A340 G355 Y370 V374 D375	I315-R317 HydrophobicContact CB-CG 4.23Å; I315-R317 HydrophobicContact CG2-CG 3.56Å; R317-L339 PolarHBondContact NE-O 2.84Å; R317-L339 PolarHBondContact NH2-O 2.8Å; R317-A340 PolarHBondContact NH2-O 2.83Å; R317-G355 WeakPolarHBondContact O-CA 3.38Å; R317-Y370 WeakPolarHBondContact CD-OH 3.48Å; R317-Y370 PolarHBondContact NH1-OH 3.4Å; R317-Y370 VanDerWaalsContact NH1-OH 3.11Å; R317-V374 HydrophobicContact CG-CG2 4.34Å; R317-D375 WeakPolarHBondContact CA-OD1 3.43Å; R317-D375 PolarHBondContact N-OD1 3.44Å
318	D	97.3	Very high	97.3	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.043	12%	0.124	C	C	.	.			trans	-142.5	37.5	179.4	-155.4	42	0	0	0	114.3	Y316 K320 N323 L339 T356	Y316-D318 PolarHBondContact O-N 3.25Å; Y316-D318 VanDerWaalsContact O-N 3.14Å; Y316-D318 PolarHBondContact OH-O 3.48Å; D318-K320 PolarHBondContact O-N 2.96Å; D318-K320 IonicContact OD1-NZ 3.15Å; D318-K320 PolarHBondContact OD1-NZ 2.69Å; D318-K320 WeakPolarHBondContact OD2-CE 3.39Å; D318-K320 IonicContact OD2-NZ 3.5Å; D318-K320 PolarHBondContact OD2-NZ 3.3Å; D318-N323 PolarHBondContact O-ND2 3.33Å; D318-N323 PolarHBondContact OD2-ND2 2.84Å; D318-N323 VanDerWaalsContact OD2-ND2 3.11Å; D318-L339 HydrophobicContact CB-CB 4.2Å; D318-L339 HydrophobicContact CB-CD1 3.98Å; D318-T356 PolarHBondContact OD1-N 3.37Å; D318-T356 PolarHBondContact OD1-OG1 3.21Å
319	L	98.5	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.			trans	-66.8	126	169.3	179.7	66.1	0	0	0	110.6	I302 M306 Y316 V324 F359 T378 L379	I302-L319 HydrophobicContact CG2-CD1 3.86Å; I302-L319 HydrophobicContact CG2-CD2 3.76Å; I302-L319 HydrophobicContact CG2-CG 4.49Å; M306-L319 HydrophobicContact SD-CD2 3.83Å; Y316-L319 HydrophobicContact CD1-CB 3.86Å; Y316-L319 VanDerWaalsContact CE1-CA 3.45Å; Y316-L319 HydrophobicContact CE1-CB 3.7Å; Y316-L319 HydrophobicContact CE1-CD1 4.12Å; L319-V324 HydrophobicContact CD1-CG2 3.62Å; L319-F359 WeakPolarHBondContact O-CD1 3.38Å; L319-T378 WeakPolarHBondContact CB-OG1 3.33Å; L319-L379 HydrophobicContact CD2-CB 3.88Å; L319-L379 HydrophobicContact CD2-CD1 4.09Å
320	K	97.1	Very high	96.9	Very high	28 Å²	28	31.6 Å²	31.6	12%	0.122	15%	0.147	C	C	.	.			trans	-162.4	160.4	174.2	59.6	-172.2	170.3	-148.2	0	109.3	D318 E322 N323 T356 F359	D318-K320 PolarHBondContact O-N 2.96Å; D318-K320 IonicContact OD1-NZ 3.15Å; D318-K320 PolarHBondContact OD1-NZ 2.69Å; D318-K320 WeakPolarHBondContact OD2-CE 3.39Å; D318-K320 IonicContact OD2-NZ 3.5Å; D318-K320 PolarHBondContact OD2-NZ 3.3Å; K320-E322 WeakPolarHBondContact CB-OE2 3.35Å; K320-E322 HydrophobicContact CD-CB 4.38Å; K320-E322 WeakPolarHBondContact CD-OE2 3.29Å; K320-E322 HydrophobicContact CG-CB 4.22Å; K320-E322 WeakPolarHBondContact CG-OE2 3.36Å; K320-E322 PolarHBondContact O-N 2.94Å; K320-E322 VanDerWaalsContact O-N 3.1Å; K320-N323 VanDerWaalsContact CE-CG 3.46Å; K320-N323 VanDerWaalsContact CE-ND2 3.3Å; K320-N323 WeakPolarHBondContact CE-ND2 3.37Å; K320-N323 VanDerWaalsContact CE-OD1 3.29Å; K320-N323 WeakPolarHBondContact CE-OD1 3.49Å; K320-N323 HydrophobicContact CG-CB 4.2Å; K320-N323 PolarHBondContact O-N 2.89Å; K320-T356 HydrophobicContact CD-CG2 4.29Å; K320-T356 PolarHBondContact NZ-OG1 3.41Å; K320-F359 HydrophobicContact CB-CD1 4.04Å; K320-F359 HydrophobicContact CB-CD2 4.48Å; K320-F359 HydrophobicContact CB-CE1 3.66Å; K320-F359 HydrophobicContact CB-CE2 4.12Å; K320-F359 HydrophobicContact CB-CG 4.44Å; K320-F359 HydrophobicContact CB-CZ 3.7Å
321	P	97.6	Very high	96.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-55.3	-29.6	-178.7	-27.3	35.5	0	0	0	114.9	L276 R277 I280 N323 V324 T382 E385 F386	L276-P321 HydrophobicContact CB-CB 4.29Å; L276-P321 PolarHBondContact N-O 2.87Å; L276-P321 VanDerWaalsContact N-O 3.13Å; R277-P321 HydrophobicContact CB-CB 3.91Å; R277-P321 PolarHBondContact N-O 3.15Å; I280-P321 HydrophobicContact CD1-CB 3.73Å; I280-P321 HydrophobicContact CD1-CG 3.85Å; P321-N323 VanDerWaalsContact C-N 3.28Å; P321-N323 PolarHBondContact O-N 3.15Å; P321-V324 PolarHBondContact O-N 3.16Å; P321-T382 HydrophobicContact CG-CG2 4.25Å; P321-E385 HydrophobicContact CG-CG 4.36Å; P321-F386 HydrophobicContact CB-CE1 4.41Å; P321-F386 HydrophobicContact CG-CE1 4.23Å
322	E	95.3	Very high	97	Very high	73 Å²	73	27.6 Å²	27.6	34%	0.341	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-66.5	-27.4	176.3	-63.1	92.6	150.2	0	0	113.9	R277 K320	R277-E322 HydrophobicContact CB-CG 3.91Å; R277-E322 VanDerWaalsContact CD-CG 3.42Å; R277-E322 WeakPolarHBondContact CD-OE1 3.11Å; R277-E322 HydrophobicContact CG-CG 4.25Å; R277-E322 IonicContact NE-OE1 2.95Å; K320-E322 WeakPolarHBondContact CB-OE2 3.35Å; K320-E322 HydrophobicContact CD-CB 4.38Å; K320-E322 WeakPolarHBondContact CD-OE2 3.29Å; K320-E322 HydrophobicContact CG-CB 4.22Å; K320-E322 WeakPolarHBondContact CG-OE2 3.36Å; K320-E322 PolarHBondContact O-N 2.94Å; K320-E322 VanDerWaalsContact O-N 3.1Å
323	N	97.4	Very high	97.1	Very high	11 Å²	11	26.5 Å²	26.5	6%	0.059	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-98.6	3.3	-175.8	-70.3	-0.6	0	0	0	112.6	Y316 D318 K320 P321 S335	Y316-N323 VanDerWaalsContact OH-CB 3.22Å; Y316-N323 WeakPolarHBondContact OH-CB 3.38Å; Y316-N323 PolarHBondContact OH-ND2 3.26Å; D318-N323 PolarHBondContact O-ND2 3.33Å; D318-N323 PolarHBondContact OD2-ND2 2.84Å; D318-N323 VanDerWaalsContact OD2-ND2 3.11Å; K320-N323 VanDerWaalsContact CE-CG 3.46Å; K320-N323 VanDerWaalsContact CE-ND2 3.3Å; K320-N323 WeakPolarHBondContact CE-ND2 3.37Å; K320-N323 VanDerWaalsContact CE-OD1 3.29Å; K320-N323 WeakPolarHBondContact CE-OD1 3.49Å; K320-N323 HydrophobicContact CG-CB 4.2Å; K320-N323 PolarHBondContact O-N 2.89Å; P321-N323 VanDerWaalsContact C-N 3.28Å; P321-N323 PolarHBondContact O-N 3.15Å; N323-S335 PolarHBondContact O-N 2.76Å; N323-S335 PolarHBondContact O-OG 2.74Å
324	V	98.5	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.6	174.1	-176.2	0	0	0	0	108	D275 L276 I302 L319 P321 V332	D275-V324 WeakPolarHBondContact CA-O 3.29Å; L276-V324 HydrophobicContact CB-CB 4.47Å; L276-V324 HydrophobicContact CD1-CB 3.8Å; L276-V324 HydrophobicContact CD1-CG1 3.41Å; L276-V324 VanDerWaalsContact CD1-CG1 3.41Å; L276-V324 HydrophobicContact CG-CB 4.01Å; L276-V324 HydrophobicContact CG-CG1 3.84Å; L276-V324 PolarHBondContact N-O 2.6Å; I302-V324 HydrophobicContact CD1-CG1 4.13Å; I302-V324 HydrophobicContact CD1-CG2 3.99Å; I302-V324 HydrophobicContact CG1-CG1 4.14Å; I302-V324 HydrophobicContact CG1-CG2 4.23Å; L319-V324 HydrophobicContact CD1-CG2 3.62Å; P321-V324 PolarHBondContact O-N 3.16Å; V324-V332 HydrophobicContact CG1-CB 3.62Å; V324-V332 HydrophobicContact CG1-CG1 4.03Å; V324-V332 HydrophobicContact CG1-CG2 3.98Å
325	L	98.1	Very high	97.1	Very high	39 Å²	39	24.1 Å²	24.1	20%	0.204	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.6	-171.1	-51.9	-179.4	0	0	0	110.6	V252 M271 G274 D275 V332 R333 S335	V252-L325 HydrophobicContact CG1-CD1 4.43Å; M271-L325 HydrophobicContact CB-CB 3.48Å; M271-L325 VanDerWaalsContact CB-CB 3.48Å; M271-L325 HydrophobicContact CB-CD1 4.01Å; M271-L325 HydrophobicContact CB-CG 4.39Å; M271-L325 HydrophobicContact CE-CB 4.27Å; M271-L325 WeakPolarHBondContact CE-O 3.44Å; M271-L325 HydrophobicContact CG-CB 3.69Å; M271-L325 HydrophobicContact CG-CD1 3.95Å; M271-L325 HydrophobicContact CG-CG 4.49Å; G274-L325 WeakPolarHBondContact O-CA 3.39Å; D275-L325 HydrophobicContact CB-CD2 3.73Å; L325-V332 CarbonylContact O-C 3.58Å; L325-V332 WeakPolarHBondContact O-CA 3.5Å; L325-R333 PolarHBondContact N-O 2.64Å; L325-R333 PolarHBondContact O-N 3.18Å; L325-S335 WeakPolarHBondContact CG-OG 3.46Å
326	L	97.3	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.8	-177.2	-163.5	70.3	0	0	0	110.4	M271 N272 G273 G274 Y298 G330 N331 V332 F473 P475	M271-L326 CarbonylContact C-O 3.56Å; M271-L326 WeakPolarHBondContact CA-O 3.28Å; N272-L326 PolarHBondContact N-O 2.76Å; G273-L326 WeakPolarHBondContact CA-O 3.42Å; G273-L326 PolarHBondContact N-O 2.96Å; G274-L326 PolarHBondContact O-N 3.48Å; Y298-L326 HydrophobicContact CE1-CD1 3.76Å; L326-G330 VanDerWaalsContact CD1-C 3.46Å; L326-G330 VanDerWaalsContact CD1-O 3.29Å; L326-G330 WeakPolarHBondContact CD1-O 3.2Å; L326-N331 CarbonylContact C-O 3.31Å; L326-N331 WeakPolarHBondContact CA-O 3.21Å; L326-V332 HydrophobicContact CD1-CG1 3.38Å; L326-F473 HydrophobicContact CD2-CD1 4.03Å; L326-F473 HydrophobicContact CD2-CE1 4.02Å; L326-P475 HydrophobicContact CD2-CG 3.39Å; L326-P475 HydrophobicContact CG-CG 3.89Å
327	D	94.5	Very high	96.8	Very high	19 Å²	19	26.7 Å²	26.7	10%	0.102	13%	0.129	C	C	.	.			trans	-90.8	-174.8	173.3	65.8	26	0	0	0	112.3	M271 E329 G330 N331 P475	M271-D327 HydrophobicContact CE-CB 3.77Å; M271-D327 HydrophobicContact SD-CB 4.2Å; D327-E329 PolarHBondContact O-N 3.15Å; D327-E329 WeakPolarHBondContact OD1-CA 3.2Å; D327-E329 PolarHBondContact OD1-N 3.3Å; D327-G330 PolarHBondContact O-N 3.37Å; D327-G330 PolarHBondContact OD1-N 2.83Å; D327-G330 VanDerWaalsContact OD1-N 3.1Å; D327-N331 PolarHBondContact N-O 2.98Å; D327-N331 PolarHBondContact OD1-N 3.27Å; D327-N331 WeakPolarHBondContact OD2-CB 3.42Å; D327-P475 WeakPolarHBondContact O-CG 3.43Å
328	N	91.4	Very high	96.6	Very high	71 Å²	71	25.9 Å²	25.9	38%	0.38	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.8	179.1	-69.8	-36.7	0	0	0	112.9	R19 N272 G330	R19-N328 PolarHBondContact NH2-OD1 3.19Å; N272-N328 WeakPolarHBondContact CB-OD1 3.44Å; N272-N328 PolarHBondContact ND2-ND2 2.69Å; N272-N328 PolarHBondContact ND2-OD1 3.19Å; N328-G330 VanDerWaalsContact C-N 3.33Å
329	E	93.1	Very high	96.5	Very high	136 Å²	136	28.7 Å²	28.7	64%	0.636	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	8.2	-174.9	-60.6	-178.7	122.7	0	0	111.1	D327 N331 P471	D327-E329 PolarHBondContact O-N 3.15Å; D327-E329 WeakPolarHBondContact OD1-CA 3.2Å; D327-E329 PolarHBondContact OD1-N 3.3Å; E329-N331 VanDerWaalsContact C-N 3.3Å; E329-N331 PolarHBondContact O-N 3.46Å; E329-P471 WeakPolarHBondContact O-CG 3.44Å
330	G	96.1	Very high	96.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	76.9	12.1	178.4	0	0	0	0	0	114.8	L326 D327 N328 F473	L326-G330 VanDerWaalsContact CD1-C 3.46Å; L326-G330 VanDerWaalsContact CD1-O 3.29Å; L326-G330 WeakPolarHBondContact CD1-O 3.2Å; D327-G330 PolarHBondContact O-N 3.37Å; D327-G330 PolarHBondContact OD1-N 2.83Å; D327-G330 VanDerWaalsContact OD1-N 3.1Å; N328-G330 VanDerWaalsContact C-N 3.33Å; G330-F473 WeakPolarHBondContact CA-O 3.33Å
331	N	98.1	Very high	96.4	Very high	23 Å²	23	28.8 Å²	28.8	12%	0.123	15%	0.149	C	C	.	.			trans	-90.5	147.1	172.7	-61.7	-69.5	0	0	0	111	Y297 Q301 L326 D327 E329	Y297-N331 PolarHBondContact OH-OD1 2.88Å; Q301-N331 PolarHBondContact NE2-OD1 3.35Å; L326-N331 CarbonylContact C-O 3.31Å; L326-N331 WeakPolarHBondContact CA-O 3.21Å; D327-N331 PolarHBondContact N-O 2.98Å; D327-N331 PolarHBondContact OD1-N 3.27Å; D327-N331 WeakPolarHBondContact OD2-CB 3.42Å; E329-N331 VanDerWaalsContact C-N 3.3Å; E329-N331 PolarHBondContact O-N 3.46Å
332	V	98.6	Very high	96.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	148.6	179.4	-62.3	0	0	0	0	112.9	L276 Y298 Q301 I302 V324 L325 L326	L276-V332 HydrophobicContact CD1-CG1 4.18Å; L276-V332 HydrophobicContact CD2-CG1 3.99Å; L276-V332 HydrophobicContact CG-CG1 4.3Å; Y298-V332 HydrophobicContact CD1-CB 4.45Å; Y298-V332 HydrophobicContact CD1-CG1 3.49Å; Y298-V332 VanDerWaalsContact CD1-CG1 3.49Å; Y298-V332 HydrophobicContact CD1-CG2 4.11Å; Y298-V332 HydrophobicContact CE1-CG1 3.77Å; Y298-V332 HydrophobicContact CG-CG1 4.05Å; Q301-V332 HydrophobicContact CB-CG2 3.62Å; Q301-V332 HydrophobicContact CG-CG2 4.43Å; Q301-V332 VanDerWaalsContact OE1-CG2 3.25Å; I302-V332 HydrophobicContact CG1-CG2 4.43Å; V324-V332 HydrophobicContact CG1-CB 3.62Å; V324-V332 HydrophobicContact CG1-CG1 4.03Å; V324-V332 HydrophobicContact CG1-CG2 3.98Å; L325-V332 CarbonylContact O-C 3.58Å; L325-V332 WeakPolarHBondContact O-CA 3.5Å; L326-V332 HydrophobicContact CD1-CG1 3.38Å
333	R	98.7	Very high	96.4	Very high	50 Å²	50	28 Å²	28	19%	0.189	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.9	170.5	-57.1	-170.8	-172	-148.8	1.6	111.5	R249 F250 I251 V252 M271 L325	R249-R333 VanDerWaalsContact O-CD 3.31Å; R249-R333 WeakPolarHBondContact O-CD 3.44Å; R249-R333 VanDerWaalsContact O-CG 3.29Å; R249-R333 WeakPolarHBondContact O-CG 3.2Å; R249-R333 VanDerWaalsContact O-CZ 3.27Å; R249-R333 PolarHBondContact O-NE 2.63Å; F250-R333 CarbonylContact O-C 3.59Å; F250-R333 VanDerWaalsContact O-CA 3.29Å; F250-R333 WeakPolarHBondContact O-CA 3.3Å; I251-R333 PolarHBondContact O-NH1 3.1Å; V252-R333 HydrophobicContact CG1-CB 4.08Å; M271-R333 HydrophobicContact CE-CB 3.77Å; M271-R333 HydrophobicContact CE-CG 3.58Å; M271-R333 HydrophobicContact SD-CB 4.36Å; M271-R333 HydrophobicContact SD-CG 4.15Å; L325-R333 PolarHBondContact N-O 2.64Å; L325-R333 PolarHBondContact O-N 3.18Å
334	I	98.6	Very high	96.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.8	169.2	-59.9	175.5	0	0	0	109.2	F250 V252 I302 M306 Y316	F250-I334 PolarHBondContact O-N 3.36Å; V252-I334 PolarHBondContact N-O 3.29Å; I302-I334 HydrophobicContact CG2-CD1 4.31Å; M306-I334 HydrophobicContact CG-CD1 3.93Å; Y316-I334 HydrophobicContact CD1-CG2 4Å; Y316-I334 HydrophobicContact CE1-CG2 3.36Å; Y316-I334 HydrophobicContact CE2-CG2 3.95Å; Y316-I334 WeakPolarHBondContact OH-CG2 3.41Å
335	S	97.2	Very high	95.9	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.063	20%	0.199	C	C	.	.			trans	-135.7	177.6	179.6	71.1	0	0	0	0	112.1	Y316 N323 L325	Y316-S335 PolarHBondContact OH-O 2.95Å; N323-S335 PolarHBondContact O-N 2.76Å; N323-S335 PolarHBondContact O-OG 2.74Å; L325-S335 WeakPolarHBondContact CG-OG 3.46Å
336	D	94.4	Very high	95.7	Very high	56 Å²	56	42 Å²	42	30%	0.299	23%	0.227	S	C	.	.			trans	53.9	73.7	176.6	-158.3	13.1	0	0	0	114.9	K220 Y316 G338	K220-D336 IonicContact NZ-OD1 3.46Å; K220-D336 PolarHBondContact NZ-OD1 3.19Å; Y316-D336 WeakPolarHBondContact CE2-O 3.41Å; D336-G338 VanDerWaalsContact C-N 3.27Å; D336-G338 PolarHBondContact O-N 3.3Å
337	L	96.1	Very high	95.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.			trans	-87.8	16.6	-177.9	-72.4	158	0	0	0	113.6	E239 I242 L243 I251 L309 Y316 L339 A340	E239-L337 HydrophobicContact CG-CB 4.34Å; I242-L337 HydrophobicContact CG2-CB 4.48Å; I242-L337 HydrophobicContact CG2-CD1 3.79Å; I242-L337 HydrophobicContact CG2-CD2 4.37Å; I242-L337 HydrophobicContact CG2-CG 4.46Å; L243-L337 HydrophobicContact CD2-CD1 3.51Å; L243-L337 HydrophobicContact CG-CD1 3.8Å; I251-L337 HydrophobicContact CG2-CD1 4.11Å; L309-L337 HydrophobicContact CD1-CD2 4.08Å; L309-L337 HydrophobicContact CD2-CD2 4.38Å; Y316-L337 HydrophobicContact CD2-CD2 3.52Å; Y316-L337 HydrophobicContact CE2-CD2 3.78Å; Y316-L337 HydrophobicContact CE2-CG 4.38Å; Y316-L337 HydrophobicContact CG-CD2 4.45Å; L337-L339 PolarHBondContact O-N 2.84Å; L337-L339 VanDerWaalsContact O-N 3.16Å; L337-A340 HydrophobicContact CB-CB 4.3Å; L337-A340 HydrophobicContact CD2-CB 3.98Å; L337-A340 WeakPolarHBondContact O-CB 3.17Å; L337-A340 PolarHBondContact O-N 3.2Å
338	G	93.9	Very high	95.6	Very high	17 Å²	17	50.6 Å²	50.6	18%	0.175	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.7	-175	0	0	0	0	0	115.5	G235 D336	G235-G338 WeakPolarHBondContact CA-O 3.4Å; D336-G338 VanDerWaalsContact C-N 3.27Å; D336-G338 PolarHBondContact O-N 3.3Å
339	L	95.8	Very high	95.9	Very high	68 Å²	68	51.2 Å²	51.2	36%	0.356	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	0.8	173	-63.2	-174.6	0	0	0	113.1	Y316 R317 D318 L337	Y316-L339 CarbonylContact O-C 3.47Å; R317-L339 PolarHBondContact NE-O 2.84Å; R317-L339 PolarHBondContact NH2-O 2.8Å; D318-L339 HydrophobicContact CB-CB 4.2Å; D318-L339 HydrophobicContact CB-CD1 3.98Å; L337-L339 PolarHBondContact O-N 2.84Å; L337-L339 VanDerWaalsContact O-N 3.16Å
340	A	97.6	Very high	96.1	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.033	25%	0.246	C	C	.	.			trans	-65.3	162.4	177.7	0	0	0	0	0	111	V238 I242 I314 I315 Y316 R317 L337	V238-A340 WeakPolarHBondContact CG1-O 3.41Å; I242-A340 HydrophobicContact CD1-CB 3.48Å; I242-A340 VanDerWaalsContact CD1-CB 3.48Å; I314-A340 HydrophobicContact CG2-CB 4.1Å; I315-A340 CarbonylContact O-C 3.58Å; I315-A340 WeakPolarHBondContact O-CA 3.3Å; I315-A340 WeakPolarHBondContact O-CB 3.13Å; Y316-A340 WeakPolarHBondContact O-CA 3.35Å; Y316-A340 PolarHBondContact O-N 2.81Å; R317-A340 PolarHBondContact NH2-O 2.83Å; L337-A340 HydrophobicContact CB-CB 4.3Å; L337-A340 HydrophobicContact CD2-CB 3.98Å; L337-A340 WeakPolarHBondContact O-CB 3.17Å; L337-A340 PolarHBondContact O-N 3.2Å
341	V	97.1	Very high	96.1	Very high	26 Å²	26	52.4 Å²	52.4	16%	0.158	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.1	173.5	62.7	0	0	0	0	110	I314 I315 I350	I314-V341 CarbonylContact C-O 3.58Å; I314-V341 WeakPolarHBondContact CA-O 2.9Å; I315-V341 HydrophobicContact CB-CG1 3.98Å; I315-V341 HydrophobicContact CD1-CG1 4.23Å; I315-V341 HydrophobicContact CG1-CG1 4.42Å; I315-V341 PolarHBondContact N-O 3.17Å; I315-V341 PolarHBondContact O-N 2.86Å; V341-I350 HydrophobicContact CB-CD1 4.37Å; V341-I350 HydrophobicContact CG1-CD1 4.15Å; V341-I350 HydrophobicContact CG1-CG2 4.23Å; V341-I350 HydrophobicContact CG2-CD1 3.5Å
342	E	96.1	Very high	95.9	Very high	55 Å²	55	52.7 Å²	52.7	26%	0.257	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.5	175.9	-172.5	-177.6	168.9	0	0	109.1	R241 R245 I314	R241-E342 IonicContact CZ-OE2 3.63Å; R241-E342 IonicContact NE-OE2 2.72Å; R241-E342 IonicContact NH2-OE2 3.62Å; R245-E342 IonicContact CZ-OE1 3.7Å; R245-E342 IonicContact CZ-OE2 2.88Å; R245-E342 VanDerWaalsContact NH1-CD 3.33Å; R245-E342 IonicContact NH1-OE1 3.89Å; R245-E342 PolarHBondContact NH1-OE1 2.92Å; R245-E342 IonicContact NH1-OE2 2.84Å; R245-E342 VanDerWaalsContact NH2-CD 3.32Å; R245-E342 IonicContact NH2-OE1 3.4Å; R245-E342 PolarHBondContact NH2-OE1 3.15Å; R245-E342 IonicContact NH2-OE2 3.57Å; I314-E342 HydrophobicContact CG1-CB 4.3Å; I314-E342 HydrophobicContact CG1-CG 4.15Å
343	L	96.1	Very high	95.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-81.5	132	174.8	-60.5	175.7	0	0	0	109.6	R313 I315 Q347 I350 Y372	R313-L343 HydrophobicContact CB-CB 4.34Å; R313-L343 PolarHBondContact NE-O 2.82Å; R313-L343 PolarHBondContact O-N 2.67Å; I315-L343 HydrophobicContact CD1-CD1 4.12Å; I315-L343 HydrophobicContact CD1-CD2 3.94Å; I315-L343 HydrophobicContact CD1-CG 4.12Å; I315-L343 HydrophobicContact CG1-CD1 4.37Å; I315-L343 HydrophobicContact CG1-CG 4.4Å; L343-Q347 WeakPolarHBondContact CB-O 3.45Å; L343-Q347 HydrophobicContact CD2-CG 4.3Å; L343-I350 HydrophobicContact CD2-CB 3.94Å; L343-I350 HydrophobicContact CD2-CG2 4.03Å; L343-Y372 HydrophobicContact CD1-CE1 3.96Å
344	A	95	Very high	95.4	Very high	47 Å²	47	57.7 Å²	57.7	39%	0.388	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-59	158.9	169.7	0	0	0	0	0	111.2	R313 D346 Q347	R313-A344 PolarHBondContact NE-O 2.78Å; R313-A344 PolarHBondContact NH2-O 3.04Å; A344-D346 PolarHBondContact O-N 2.9Å; A344-Q347 HydrophobicContact CB-CB 4Å; A344-Q347 PolarHBondContact O-N 3.44Å
345	D	91	Very high	95.2	Very high	148 Å²	148	58.4 Å²	58.4	79%	0.791	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.3	-174	-68.4	-22.5	0	0	0	113.2	R313	R313-D345 PolarHBondContact NH2-O 2.79Å
346	D	92.9	Very high	95	Very high	150 Å²	150	59.7 Å²	59.7	80%	0.802	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.2	178.4	64.9	-27.2	0	0	0	113.8	A344	A344-D346 PolarHBondContact O-N 2.9Å
347	Q	95	Very high	94.9	Very high	68 Å²	68	59.2 Å²	59.2	32%	0.318	32%	0.32	S	S	.	.			trans	-99	113.3	-173.5	-174.1	176.9	8.3	0	0	112.1	R313 L343 A344 K349	R313-Q347 PolarHBondContact NH2-O 3.11Å; L343-Q347 WeakPolarHBondContact CB-O 3.45Å; L343-Q347 HydrophobicContact CD2-CG 4.3Å; A344-Q347 HydrophobicContact CB-CB 4Å; A344-Q347 PolarHBondContact O-N 3.44Å; Q347-K349 WeakPolarHBondContact CG-O 3.43Å; Q347-K349 PolarHBondContact NE2-O 3.14Å
348	L	95	Very high	94.8	Very high	130 Å²	130	59.8 Å²	59.8	68%	0.681	33%	0.326	S	S	*	.			trans	-87	-28	177.6	-61.6	179.2	0	0	0	114
349	K	97.2	Very high	94.9	Very high	85 Å²	85	60 Å²	60	37%	0.37	32%	0.322	S	S	.	.			trans	-138.6	157.4	-176.1	-65.1	-172.3	175.9	-174.2	0	111.3	Q347 E369 Y370 D371	Q347-K349 WeakPolarHBondContact CG-O 3.43Å; Q347-K349 PolarHBondContact NE2-O 3.14Å; K349-E369 HydrophobicContact CB-CB 4.05Å; K349-E369 HydrophobicContact CD-CB 4.29Å; K349-Y370 CarbonylContact C-O 3.58Å; K349-Y370 VanDerWaalsContact CA-O 3.28Å; K349-Y370 WeakPolarHBondContact CA-O 3.33Å; K349-Y370 WeakPolarHBondContact CB-O 3.47Å; K349-D371 WeakPolarHBondContact CE-OD2 3.41Å; K349-D371 HydrophobicContact CG-CB 4.2Å
350	I	96.9	Very high	95	Very high	28 Å²	28	57 Å²	57	14%	0.144	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-129.8	159.7	176.2	-172.8	166.4	0	0	0	110.7	I315 V341 L343 E369 Y370	I315-I350 HydrophobicContact CD1-CG2 3.77Å; V341-I350 HydrophobicContact CB-CD1 4.37Å; V341-I350 HydrophobicContact CG1-CD1 4.15Å; V341-I350 HydrophobicContact CG1-CG2 4.23Å; V341-I350 HydrophobicContact CG2-CD1 3.5Å; L343-I350 HydrophobicContact CD2-CB 3.94Å; L343-I350 HydrophobicContact CD2-CG2 4.03Å; I350-E369 CarbonylContact O-C 3.55Å; I350-E369 WeakPolarHBondContact O-CA 3.46Å; I350-Y370 HydrophobicContact CG2-CD2 4.06Å; I350-Y370 HydrophobicContact CG2-CE2 3.61Å; I350-Y370 PolarHBondContact N-O 3.33Å; I350-Y370 PolarHBondContact O-N 2.91Å
351	K	96.4	Very high	95	Very high	132 Å²	132	56.9 Å²	56.9	57%	0.574	31%	0.305	S	S	*	.			trans	-120.6	132.1	169.2	-174.7	167.1	174.1	151.6	0	110.3	S367 E369	K351-S367 WeakPolarHBondContact CE-O 3.25Å; K351-S367 PolarHBondContact NZ-O 2.95Å; K351-E369 HydrophobicContact CB-CG 4.3Å
352	G	93.4	Very high	95.1	Very high	29 Å²	29	55.8 Å²	55.8	30%	0.299	30%	0.298	S	S	.	.			trans	172.1	140.8	176.5	0	0	0	0	0	112.4	A354 Y370	G352-A354 PolarHBondContact O-N 3.44Å; G352-Y370 VanDerWaalsContact O-CE1 3.28Å; G352-Y370 WeakPolarHBondContact O-CE1 3.31Å; G352-Y370 PolarHBondContact O-OH 2.61Å
353	Y	94.3	Very high	95.2	Very high	142 Å²	142	53.4 Å²	53.4	56%	0.557	29%	0.287	S	S	*	.			trans	-90.1	104.2	178.6	-172.4	-90.6	0	0	0	110.3	M360 L364 L365	Y353-M360 HydrophobicContact CE1-CE 4.47Å; Y353-M360 HydrophobicContact CE1-SD 4.24Å; Y353-M360 HydrophobicContact CE2-CE 4.41Å; Y353-M360 HydrophobicContact CE2-SD 3.91Å; Y353-M360 WeakPolarHBondContact OH-CE 3.33Å; Y353-L364 HydrophobicContact CD2-CD2 4.04Å; Y353-L364 HydrophobicContact CE2-CD2 4.42Å; Y353-L365 HydrophobicContact CE2-CD2 4.08Å
354	A	94.3	Very high	95.2	Very high	15 Å²	15	53.6 Å²	53.6	12%	0.124	29%	0.288	C	S	.	.			trans	-146.3	150.6	176.9	0	0	0	0	0	110.1	G352 L364	G352-A354 PolarHBondContact O-N 3.44Å; A354-L364 WeakPolarHBondContact O-CD1 3.41Å
355	G	94.1	Very high	95.3	Very high	17 Å²	17	51.5 Å²	51.5	18%	0.175	27%	0.271	C	S	.	.	S	Bend	trans	122.2	174.2	176.4	0	0	0	0	0	114	R317	R317-G355 WeakPolarHBondContact O-CA 3.38Å
356	T	93.4	Very high	95.6	Very high	36 Å²	36	49.6 Å²	49.6	22%	0.221	26%	0.255	C	S	.	.			trans	-86.5	130.7	-175.1	-63.2	0	0	0	0	112.2	D318 K320 G358 F359 M360	D318-T356 PolarHBondContact OD1-N 3.37Å; D318-T356 PolarHBondContact OD1-OG1 3.21Å; K320-T356 HydrophobicContact CD-CG2 4.29Å; K320-T356 PolarHBondContact NZ-OG1 3.41Å; T356-G358 PolarHBondContact O-N 3.13Å; T356-F359 HydrophobicContact CG2-CD2 3.86Å; T356-F359 HydrophobicContact CG2-CE2 4.29Å; T356-F359 PolarHBondContact O-N 3.19Å; T356-M360 PolarHBondContact O-N 3.34Å
357	P	92.3	Very high	95.7	Very high	46 Å²	46	45.4 Å²	45.4	30%	0.299	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	124.3	176.5	-26.7	35.1	0	0	0	112.9	M360 R394	P357-M360 HydrophobicContact CB-CE 4.28Å; P357-M360 HydrophobicContact CG-CE 4.1Å; P357-R394 PolarHBondContact O-NH2 3.3Å
358	G	93.3	Very high	95.9	Very high	11 Å²	11	46.4 Å²	46.4	11%	0.113	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.2	-22.8	-173.8	0	0	0	0	0	113.5	T356	T356-G358 PolarHBondContact O-N 3.13Å
359	F	96.8	Very high	96	Very high	21 Å²	21	46.2 Å²	46.2	9%	0.092	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-31.4	179.1	-68.6	-97.8	0	0	0	112.5	L319 K320 T356 A361 F377 T378 V381 E385	L319-F359 WeakPolarHBondContact O-CD1 3.38Å; K320-F359 HydrophobicContact CB-CD1 4.04Å; K320-F359 HydrophobicContact CB-CD2 4.48Å; K320-F359 HydrophobicContact CB-CE1 3.66Å; K320-F359 HydrophobicContact CB-CE2 4.12Å; K320-F359 HydrophobicContact CB-CG 4.44Å; K320-F359 HydrophobicContact CB-CZ 3.7Å; T356-F359 HydrophobicContact CG2-CD2 3.86Å; T356-F359 HydrophobicContact CG2-CE2 4.29Å; T356-F359 PolarHBondContact O-N 3.19Å; F359-A361 PolarHBondContact O-N 3.42Å; F359-F377 WeakPolarHBondContact O-CD1 3.27Å; F359-T378 HydrophobicContact CB-CG2 4.14Å; F359-T378 VanDerWaalsContact O-CG2 3.25Å; F359-T378 WeakPolarHBondContact O-CG2 3.4Å; F359-V381 HydrophobicContact CD1-CB 3.97Å; F359-V381 HydrophobicContact CD1-CG1 3.45Å; F359-V381 VanDerWaalsContact CD1-CG1 3.45Å; F359-V381 HydrophobicContact CE1-CB 4.37Å; F359-V381 HydrophobicContact CE1-CG1 3.59Å; F359-V381 HydrophobicContact CG-CG1 3.99Å; F359-V381 HydrophobicContact CZ-CG1 4.24Å; F359-E385 VanDerWaalsContact CZ-OE2 3.31Å; F359-E385 WeakPolarHBondContact CZ-OE2 3.29Å
360	M	97.4	Very high	96	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.034	22%	0.221	C	C	.	.			trans	-55.8	131.5	-177.2	-74	178.6	-79.5	0	0	113.8	Y353 T356 P357 L364 L365	Y353-M360 HydrophobicContact CE1-CE 4.47Å; Y353-M360 HydrophobicContact CE1-SD 4.24Å; Y353-M360 HydrophobicContact CE2-CE 4.41Å; Y353-M360 HydrophobicContact CE2-SD 3.91Å; Y353-M360 WeakPolarHBondContact OH-CE 3.33Å; T356-M360 PolarHBondContact O-N 3.34Å; P357-M360 HydrophobicContact CB-CE 4.28Å; P357-M360 HydrophobicContact CG-CE 4.1Å; M360-L364 HydrophobicContact CB-CD2 4.16Å; M360-L364 HydrophobicContact CG-CD2 3.93Å; M360-L364 HydrophobicContact SD-CD2 3.63Å; M360-L365 HydrophobicContact CB-CD1 4.45Å; M360-L365 HydrophobicContact CB-CD2 3.86Å; M360-L365 HydrophobicContact CB-CG 3.98Å; M360-L365 HydrophobicContact CE-CD2 4.1Å; M360-L365 WeakPolarHBondContact O-CD1 3.46Å; M360-L365 HydrophobicContact SD-CD2 4.1Å
361	A	98.1	Very high	96.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	22%	0.224	C	C	.	.			trans	-66.7	156.7	180	0	0	0	0	0	113.8	F359 E363 L364 L365 V374 F377	F359-A361 PolarHBondContact O-N 3.42Å; A361-E363 VanDerWaalsContact CB-OE1 3.24Å; A361-E363 WeakPolarHBondContact CB-OE1 3.43Å; A361-E363 PolarHBondContact O-N 3.07Å; A361-L364 PolarHBondContact O-N 2.76Å; A361-L365 WeakPolarHBondContact O-CG 3.38Å; A361-L365 PolarHBondContact O-N 2.99Å; A361-V374 HydrophobicContact CB-CB 4.06Å; A361-V374 HydrophobicContact CB-CG1 4.03Å; A361-F377 VanDerWaalsContact CA-CD1 3.49Å; A361-F377 HydrophobicContact CB-CB 3.7Å; A361-F377 HydrophobicContact CB-CD1 3.92Å; A361-F377 HydrophobicContact CB-CG 3.81Å
362	P	98.1	Very high	96.1	Very high	2 Å²	2	38 Å²	38	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-54.2	-47.7	-178.8	-29.3	37.4	0	0	0	114.8	L364 L365 K366 F377 I409 L410 K434	P362-L364 PolarHBondContact O-N 3.49Å; P362-L365 PolarHBondContact O-N 3.47Å; P362-K366 VanDerWaalsContact O-CG 3.29Å; P362-K366 WeakPolarHBondContact O-CG 3.17Å; P362-K366 PolarHBondContact O-N 2.82Å; P362-F377 HydrophobicContact CG-CD2 4.49Å; P362-F377 HydrophobicContact CG-CE2 4.05Å; P362-F377 HydrophobicContact CG-CZ 4.39Å; P362-I409 HydrophobicContact CG-CG2 4.18Å; P362-L410 HydrophobicContact CB-CD2 3.94Å; P362-K434 HydrophobicContact CG-CB 4.15Å; P362-K434 HydrophobicContact CG-CG 4.16Å
363	E	98.1	Very high	96.4	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-40.8	-178.9	61.5	-77.8	-178.6	0	0	111.9	A361 L365 K366 S367 E368 V374 V436 R439	A361-E363 VanDerWaalsContact CB-OE1 3.24Å; A361-E363 WeakPolarHBondContact CB-OE1 3.43Å; A361-E363 PolarHBondContact O-N 3.07Å; E363-L365 PolarHBondContact O-N 2.85Å; E363-K366 PolarHBondContact O-N 3.16Å; E363-S367 PolarHBondContact O-N 3.25Å; E363-E368 WeakPolarHBondContact CA-OE2 3.36Å; E363-E368 HydrophobicContact CB-CB 4.17Å; E363-E368 WeakPolarHBondContact CB-OE2 3.27Å; E363-E368 WeakPolarHBondContact O-CB 3.2Å; E363-E368 PolarHBondContact O-N 2.91Å; E363-V374 HydrophobicContact CG-CG1 4.2Å; E363-V374 WeakPolarHBondContact OE1-CG1 3.48Å; E363-V436 HydrophobicContact CB-CG2 4.23Å; E363-V436 HydrophobicContact CG-CG2 3.97Å; E363-R439 IonicContact OE1-CZ 2.96Å; E363-R439 IonicContact OE1-NH1 3.35Å; E363-R439 PolarHBondContact OE1-NH1 2.87Å; E363-R439 IonicContact OE1-NH2 3.73Å; E363-R439 IonicContact OE2-CZ 3.1Å; E363-R439 IonicContact OE2-NH1 2.61Å; E363-R439 PolarHBondContact OE2-NH1 3.22Å; E363-R439 IonicContact OE2-NH2 2.64Å; E363-R439 PolarHBondContact OE2-NH2 2.87Å
364	L	96.8	Very high	96.6	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-42.8	173.8	-169.7	158	0	0	0	111	Y353 A354 M360 A361 P362 K366 S367 Y370 V374	Y353-L364 HydrophobicContact CD2-CD2 4.04Å; Y353-L364 HydrophobicContact CE2-CD2 4.42Å; A354-L364 WeakPolarHBondContact O-CD1 3.41Å; M360-L364 HydrophobicContact CB-CD2 4.16Å; M360-L364 HydrophobicContact CG-CD2 3.93Å; M360-L364 HydrophobicContact SD-CD2 3.63Å; A361-L364 PolarHBondContact O-N 2.76Å; P362-L364 PolarHBondContact O-N 3.49Å; L364-K366 VanDerWaalsContact C-N 3.3Å; L364-K366 PolarHBondContact O-N 2.92Å; L364-S367 PolarHBondContact O-N 2.87Å; L364-S367 VanDerWaalsContact O-N 3.1Å; L364-Y370 HydrophobicContact CB-CD1 4.22Å; L364-Y370 HydrophobicContact CB-CE1 4.23Å; L364-Y370 HydrophobicContact CD1-CE1 3.97Å; L364-Y370 HydrophobicContact CD1-CE2 4.4Å; L364-Y370 HydrophobicContact CG-CD1 4.33Å; L364-Y370 HydrophobicContact CG-CE1 3.83Å; L364-V374 HydrophobicContact CB-CG1 4.29Å; L364-V374 HydrophobicContact CD1-CG1 4.39Å
365	L	96.8	Very high	96.8	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-27.5	177.1	-69.9	176.2	0	0	0	113.4	Y353 M360 A361 P362 E363 S367 K406 I409 L410	Y353-L365 HydrophobicContact CE2-CD2 4.08Å; M360-L365 HydrophobicContact CB-CD1 4.45Å; M360-L365 HydrophobicContact CB-CD2 3.86Å; M360-L365 HydrophobicContact CB-CG 3.98Å; M360-L365 HydrophobicContact CE-CD2 4.1Å; M360-L365 WeakPolarHBondContact O-CD1 3.46Å; M360-L365 HydrophobicContact SD-CD2 4.1Å; A361-L365 WeakPolarHBondContact O-CG 3.38Å; A361-L365 PolarHBondContact O-N 2.99Å; P362-L365 PolarHBondContact O-N 3.47Å; E363-L365 PolarHBondContact O-N 2.85Å; L365-S367 VanDerWaalsContact C-N 3.27Å; L365-K406 HydrophobicContact CB-CG 4.37Å; L365-K406 HydrophobicContact CD1-CG 4.23Å; L365-K406 HydrophobicContact CD2-CD 4.46Å; L365-K406 HydrophobicContact CD2-CG 4.36Å; L365-K406 WeakPolarHBondContact O-CE 3.02Å; L365-K406 PolarHBondContact O-NZ 2.99Å; L365-I409 HydrophobicContact CD1-CB 3.97Å; L365-I409 HydrophobicContact CD1-CD1 3.83Å; L365-I409 HydrophobicContact CD1-CG2 3.69Å; L365-L410 HydrophobicContact CB-CD2 4.3Å
366	K	96.8	Very high	97	Very high	108 Å²	108	29.2 Å²	29.2	47%	0.47	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.6	173.4	-69.4	173.4	-170.2	173.4	0	113	P362 E363 L364 E368 L410	P362-K366 VanDerWaalsContact O-CG 3.29Å; P362-K366 WeakPolarHBondContact O-CG 3.17Å; P362-K366 PolarHBondContact O-N 2.82Å; E363-K366 PolarHBondContact O-N 3.16Å; L364-K366 VanDerWaalsContact C-N 3.3Å; L364-K366 PolarHBondContact O-N 2.92Å; K366-E368 HydrophobicContact CB-CG 3.89Å; K366-E368 WeakPolarHBondContact CD-OE1 3.5Å; K366-E368 PolarHBondContact O-N 3.38Å; K366-L410 HydrophobicContact CD-CD2 4.36Å; K366-L410 HydrophobicContact CG-CD2 3.86Å
367	S	96.1	Very high	97.3	Very high	62 Å²	62	27.5 Å²	27.5	43%	0.434	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	35.2	-173.8	-51.8	0	0	0	0	112.6	K351 E363 L364 L365	K351-S367 WeakPolarHBondContact CE-O 3.25Å; K351-S367 PolarHBondContact NZ-O 2.95Å; E363-S367 PolarHBondContact O-N 3.25Å; L364-S367 PolarHBondContact O-N 2.87Å; L364-S367 VanDerWaalsContact O-N 3.1Å; L365-S367 VanDerWaalsContact C-N 3.27Å
368	E	97.6	Very high	97.5	Very high	89 Å²	89	25.6 Å²	25.6	42%	0.416	13%	0.13	S	C	.	.			trans	-81.9	167.8	170.5	-67.2	166.9	177.8	0	0	110	E363 K366	E363-E368 WeakPolarHBondContact CA-OE2 3.36Å; E363-E368 HydrophobicContact CB-CB 4.17Å; E363-E368 WeakPolarHBondContact CB-OE2 3.27Å; E363-E368 WeakPolarHBondContact O-CB 3.2Å; E363-E368 PolarHBondContact O-N 2.91Å; K366-E368 HydrophobicContact CB-CG 3.89Å; K366-E368 WeakPolarHBondContact CD-OE1 3.5Å; K366-E368 PolarHBondContact O-N 3.38Å
369	E	97.9	Very high	97.8	Very high	126 Å²	126	25.2 Å²	25.2	59%	0.589	13%	0.125	S	C	*	.			trans	-76.6	140.8	169.1	-67.1	-174.8	155.2	0	0	110	K349 I350 K351	K349-E369 HydrophobicContact CB-CB 4.05Å; K349-E369 HydrophobicContact CD-CB 4.29Å; I350-E369 CarbonylContact O-C 3.55Å; I350-E369 WeakPolarHBondContact O-CA 3.46Å; K351-E369 HydrophobicContact CB-CG 4.3Å
370	Y	98.1	Very high	97.9	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.012	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-142.4	163.6	-176	61.5	-99.5	0	0	0	111.9	I315 R317 K349 I350 G352 L364 V374	I315-Y370 HydrophobicContact CD1-CD2 4.4Å; I315-Y370 HydrophobicContact CD1-CE2 4.41Å; R317-Y370 WeakPolarHBondContact CD-OH 3.48Å; R317-Y370 PolarHBondContact NH1-OH 3.4Å; R317-Y370 VanDerWaalsContact NH1-OH 3.11Å; K349-Y370 CarbonylContact C-O 3.58Å; K349-Y370 VanDerWaalsContact CA-O 3.28Å; K349-Y370 WeakPolarHBondContact CA-O 3.33Å; K349-Y370 WeakPolarHBondContact CB-O 3.47Å; I350-Y370 HydrophobicContact CG2-CD2 4.06Å; I350-Y370 HydrophobicContact CG2-CE2 3.61Å; I350-Y370 PolarHBondContact N-O 3.33Å; I350-Y370 PolarHBondContact O-N 2.91Å; G352-Y370 VanDerWaalsContact O-CE1 3.28Å; G352-Y370 WeakPolarHBondContact O-CE1 3.31Å; G352-Y370 PolarHBondContact O-OH 2.61Å; L364-Y370 HydrophobicContact CB-CD1 4.22Å; L364-Y370 HydrophobicContact CB-CE1 4.23Å; L364-Y370 HydrophobicContact CD1-CE1 3.97Å; L364-Y370 HydrophobicContact CD1-CE2 4.4Å; L364-Y370 HydrophobicContact CG-CD1 4.33Å; L364-Y370 HydrophobicContact CG-CE1 3.83Å; Y370-V374 HydrophobicContact CD1-CG1 4.38Å; Y370-V374 HydrophobicContact CD2-CB 4.44Å; Y370-V374 HydrophobicContact CD2-CG1 3.53Å; Y370-V374 HydrophobicContact CD2-CG2 4.01Å; Y370-V374 HydrophobicContact CE2-CG1 4.27Å; Y370-V374 HydrophobicContact CE2-CG2 4.26Å; Y370-V374 HydrophobicContact CG-CG1 3.59Å
371	D	97.6	Very high	98	Very high	38 Å²	38	24 Å²	24	20%	0.203	12%	0.12	C	C	.	.			trans	-125.3	-150.5	177.1	52	29.1	0	0	0	109.3	K349 S373	K349-D371 WeakPolarHBondContact CE-OD2 3.41Å; K349-D371 HydrophobicContact CG-CB 4.2Å; D371-S373 PolarHBondContact O-N 2.74Å; D371-S373 VanDerWaalsContact O-N 3.11Å; D371-S373 WeakPolarHBondContact OD1-CB 3.49Å; D371-S373 PolarHBondContact OD1-N 3.21Å; D371-S373 PolarHBondContact OD1-OG 3.32Å
372	Y	97.9	Very high	98	Very high	31 Å²	31	23.9 Å²	23.9	12%	0.122	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.2	176.5	-43.1	-60.4	0	0	0	114	H310 R313 I315 L343 V374 D375 Y376 F442	H310-Y372 HydrophobicContact CB-CD1 3.96Å; H310-Y372 HydrophobicContact CB-CE1 4.29Å; H310-Y372 HydrophobicContact CB-CG 4.13Å; H310-Y372 AromaticContact CD2-CD1 3.42Å; H310-Y372 VanDerWaalsContact CD2-CD1 3.42Å; H310-Y372 WeakPolarHBondContact CD2-CD1 3.16Å; H310-Y372 AromaticContact CD2-CG 3.89Å; H310-Y372 AromaticContact CG-CD1 3.7Å; H310-Y372 AromaticContact CG-CG 3.83Å; R313-Y372 WeakPolarHBondContact CA-OH 3.42Å; I315-Y372 HydrophobicContact CG1-CD1 3.72Å; I315-Y372 HydrophobicContact CG1-CE1 3.99Å; L343-Y372 HydrophobicContact CD1-CE1 3.96Å; Y372-V374 PolarHBondContact O-N 2.89Å; Y372-V374 VanDerWaalsContact O-N 3.12Å; Y372-D375 PolarHBondContact O-N 3.4Å; Y372-Y376 WeakPolarHBondContact O-CD2 3.42Å; Y372-F442 AromaticContact CD2-CD1 3.73Å; Y372-F442 HydrophobicContact CD2-CD1 3.73Å; Y372-F442 HydrophobicContact CD2-CE1 4.39Å; Y372-F442 HydrophobicContact CE2-CD1 4.06Å; Y372-F442 HydrophobicContact CE2-CE1 4.29Å; Y372-F442 HydrophobicContact CG-CD1 4.42Å
373	S	98.1	Very high	98	Very high	14 Å²	14	23.9 Å²	23.9	10%	0.098	12%	0.119	C	C	.	.	H	α-helix	trans	-56.5	-27.9	-178.2	55	0	0	0	0	114.3	D371 D375 Y376 F377 V436 R439	D371-S373 PolarHBondContact O-N 2.74Å; D371-S373 VanDerWaalsContact O-N 3.11Å; D371-S373 WeakPolarHBondContact OD1-CB 3.49Å; D371-S373 PolarHBondContact OD1-N 3.21Å; D371-S373 PolarHBondContact OD1-OG 3.32Å; S373-D375 VanDerWaalsContact C-N 3.27Å; S373-D375 PolarHBondContact O-N 3.32Å; S373-Y376 PolarHBondContact O-N 3.28Å; S373-F377 PolarHBondContact O-N 3Å; S373-V436 WeakPolarHBondContact OG-CG1 3.27Å; S373-R439 PolarHBondContact O-NH1 3.37Å
374	V	98.6	Very high	98	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-35.2	177.2	-60	0	0	0	0	111.7	I315 R317 A361 E363 L364 Y370 Y372 Y376 F377 T378	I315-V374 HydrophobicContact CG2-CG2 3.61Å; R317-V374 HydrophobicContact CG-CG2 4.34Å; A361-V374 HydrophobicContact CB-CB 4.06Å; A361-V374 HydrophobicContact CB-CG1 4.03Å; E363-V374 HydrophobicContact CG-CG1 4.2Å; E363-V374 WeakPolarHBondContact OE1-CG1 3.48Å; L364-V374 HydrophobicContact CB-CG1 4.29Å; L364-V374 HydrophobicContact CD1-CG1 4.39Å; Y370-V374 HydrophobicContact CD1-CG1 4.38Å; Y370-V374 HydrophobicContact CD2-CB 4.44Å; Y370-V374 HydrophobicContact CD2-CG1 3.53Å; Y370-V374 HydrophobicContact CD2-CG2 4.01Å; Y370-V374 HydrophobicContact CE2-CG1 4.27Å; Y370-V374 HydrophobicContact CE2-CG2 4.26Å; Y370-V374 HydrophobicContact CG-CG1 3.59Å; Y372-V374 PolarHBondContact O-N 2.89Å; Y372-V374 VanDerWaalsContact O-N 3.12Å; V374-Y376 VanDerWaalsContact C-N 3.34Å; V374-F377 PolarHBondContact O-N 2.92Å; V374-T378 WeakPolarHBondContact O-CG2 3.38Å; V374-T378 PolarHBondContact O-N 2.83Å; V374-T378 VanDerWaalsContact O-N 3.13Å
375	D	98.8	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-71.9	-33.3	-177.1	-66.5	-29.2	0	0	0	110.8	M306 H310 I315 Y316 R317 Y372 S373 T378 L379	M306-D375 HydrophobicContact CE-CB 3.35Å; M306-D375 HydrophobicContact SD-CB 4.39Å; H310-D375 IonicContact NE2-OD2 3.49Å; H310-D375 PolarHBondContact NE2-OD2 3.18Å; I315-D375 WeakPolarHBondContact CG2-OD2 3.25Å; Y316-D375 PolarHBondContact N-OD2 2.87Å; R317-D375 WeakPolarHBondContact CA-OD1 3.43Å; R317-D375 PolarHBondContact N-OD1 3.44Å; Y372-D375 PolarHBondContact O-N 3.4Å; S373-D375 VanDerWaalsContact C-N 3.27Å; S373-D375 PolarHBondContact O-N 3.32Å; D375-T378 VanDerWaalsContact C-OG1 3.28Å; D375-T378 VanDerWaalsContact CA-OG1 3.3Å; D375-T378 WeakPolarHBondContact CA-OG1 3.41Å; D375-T378 CarbonylContact O-C 3.54Å; D375-T378 PolarHBondContact O-N 3.34Å; D375-T378 PolarHBondContact O-OG1 3.19Å; D375-L379 PolarHBondContact O-N 3.12Å
376	Y	98.7	Very high	98.1	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-72.6	-30.3	176.4	-64.2	-78.4	0	0	0	113.1	M306 H310 Y372 S373 V374 L379 G380 L431 F440 G441 F442 C447 L450	M306-Y376 HydrophobicContact CE-CD1 3.77Å; M306-Y376 HydrophobicContact CE-CD2 4.24Å; M306-Y376 HydrophobicContact CE-CE1 3.69Å; M306-Y376 HydrophobicContact CE-CE2 4.15Å; M306-Y376 HydrophobicContact CE-CG 4.06Å; H310-Y376 AromaticContact CE1-CE2 3.27Å; H310-Y376 WeakPolarHBondContact CE1-CE2 3.48Å; H310-Y376 AromaticContact CE1-CZ 3.52Å; H310-Y376 PolarHBondContact CE1-OH 3.29Å; H310-Y376 AromaticContact ND1-CE2 3.5Å; H310-Y376 AromaticContact ND1-CZ 3.55Å; H310-Y376 PolarHBondContact ND1-OH 3.12Å; Y372-Y376 WeakPolarHBondContact O-CD2 3.42Å; S373-Y376 PolarHBondContact O-N 3.28Å; V374-Y376 VanDerWaalsContact C-N 3.34Å; Y376-L379 HydrophobicContact CD1-CD2 4.3Å; Y376-L379 WeakPolarHBondContact O-CB 3.33Å; Y376-L379 PolarHBondContact O-N 3.4Å; Y376-G380 PolarHBondContact O-N 3.09Å; Y376-L431 HydrophobicContact CD1-CD2 4.34Å; Y376-F440 WeakPolarHBondContact CB-O 3.48Å; Y376-G441 VanDerWaalsContact CD2-CA 3.47Å; Y376-F442 HydrophobicContact CE2-CB 3.62Å; Y376-F442 VanDerWaalsContact CZ-N 3.27Å; Y376-F442 WeakPolarHBondContact OH-CB 3.3Å; Y376-C447 PolarHBondContact OH-SG 3.4Å; Y376-L450 HydrophobicContact CD1-CD1 3.6Å; Y376-L450 HydrophobicContact CE1-CD1 3.4Å; Y376-L450 VanDerWaalsContact CE1-CD1 3.4Å
377	F	98.8	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-44.6	167.2	-173.7	-87.3	0	0	0	110.9	F359 A361 P362 S373 V374 L379 G380 V381 F393 I409 L431 L432	F359-F377 WeakPolarHBondContact O-CD1 3.27Å; A361-F377 VanDerWaalsContact CA-CD1 3.49Å; A361-F377 HydrophobicContact CB-CB 3.7Å; A361-F377 HydrophobicContact CB-CD1 3.92Å; A361-F377 HydrophobicContact CB-CG 3.81Å; P362-F377 HydrophobicContact CG-CD2 4.49Å; P362-F377 HydrophobicContact CG-CE2 4.05Å; P362-F377 HydrophobicContact CG-CZ 4.39Å; S373-F377 PolarHBondContact O-N 3Å; V374-F377 PolarHBondContact O-N 2.92Å; F377-L379 VanDerWaalsContact C-N 3.28Å; F377-L379 PolarHBondContact O-N 3.37Å; F377-G380 PolarHBondContact O-N 3.45Å; F377-G380 VanDerWaalsContact O-N 3.12Å; F377-V381 HydrophobicContact CD1-CG2 4.05Å; F377-V381 HydrophobicContact CE1-CG2 3.73Å; F377-V381 HydrophobicContact CZ-CG2 4.43Å; F377-V381 PolarHBondContact O-N 3.45Å; F377-F393 HydrophobicContact CE1-CE2 4.34Å; F377-F393 AromaticContact CZ-CE2 3.86Å; F377-F393 HydrophobicContact CZ-CE2 3.86Å; F377-F393 HydrophobicContact CZ-CZ 4.03Å; F377-I409 HydrophobicContact CE1-CG2 4.26Å; F377-I409 HydrophobicContact CZ-CG2 3.9Å; F377-L431 WeakPolarHBondContact CA-O 3.43Å; F377-L432 HydrophobicContact CD2-CD2 4.21Å; F377-L432 HydrophobicContact CE1-CD2 4.32Å; F377-L432 HydrophobicContact CE2-CB 4.39Å; F377-L432 HydrophobicContact CE2-CD2 3.92Å; F377-L432 HydrophobicContact CZ-CD2 3.98Å
378	T	98.3	Very high	98.2	Very high	6 Å²	6	16.9 Å²	16.9	4%	0.037	8%	0.083	C	C	.	.	H	α-helix	trans	-64.4	-31.6	176.7	62	0	0	0	0	112.7	L319 F359 V374 D375 V381 T382	L319-T378 WeakPolarHBondContact CB-OG1 3.33Å; F359-T378 HydrophobicContact CB-CG2 4.14Å; F359-T378 VanDerWaalsContact O-CG2 3.25Å; F359-T378 WeakPolarHBondContact O-CG2 3.4Å; V374-T378 WeakPolarHBondContact O-CG2 3.38Å; V374-T378 PolarHBondContact O-N 2.83Å; V374-T378 VanDerWaalsContact O-N 3.13Å; D375-T378 VanDerWaalsContact C-OG1 3.28Å; D375-T378 VanDerWaalsContact CA-OG1 3.3Å; D375-T378 WeakPolarHBondContact CA-OG1 3.41Å; D375-T378 CarbonylContact O-C 3.54Å; D375-T378 PolarHBondContact O-N 3.34Å; D375-T378 PolarHBondContact O-OG1 3.19Å; T378-V381 PolarHBondContact O-N 2.88Å; T378-T382 WeakPolarHBondContact O-CB 3.36Å; T378-T382 PolarHBondContact O-N 3.35Å; T378-T382 PolarHBondContact O-OG1 2.84Å
379	L	98.8	Very high	98.1	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-64.7	-43.5	171.3	177	64.1	0	0	0	111	I302 I303 M306 L319 D375 Y376 F377 V381 T382 L383 L431	I302-L379 HydrophobicContact CB-CD1 4.36Å; I302-L379 HydrophobicContact CG2-CD1 3.87Å; I303-L379 HydrophobicContact CD1-CD2 4.14Å; I303-L379 HydrophobicContact CG1-CD2 3.6Å; M306-L379 HydrophobicContact SD-CB 4.4Å; L319-L379 HydrophobicContact CD2-CB 3.88Å; L319-L379 HydrophobicContact CD2-CD1 4.09Å; D375-L379 PolarHBondContact O-N 3.12Å; Y376-L379 HydrophobicContact CD1-CD2 4.3Å; Y376-L379 WeakPolarHBondContact O-CB 3.33Å; Y376-L379 PolarHBondContact O-N 3.4Å; F377-L379 VanDerWaalsContact C-N 3.28Å; F377-L379 PolarHBondContact O-N 3.37Å; L379-V381 VanDerWaalsContact C-N 3.32Å; L379-V381 PolarHBondContact O-N 3.24Å; L379-T382 PolarHBondContact O-N 3.16Å; L379-L383 WeakPolarHBondContact O-CB 3.42Å; L379-L383 PolarHBondContact O-N 2.87Å; L379-L431 HydrophobicContact CD2-CD1 4.21Å; L379-L431 HydrophobicContact CD2-CD2 4.12Å; L379-L431 HydrophobicContact CG-CD1 4.1Å
380	G	98.7	Very high	98	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.1	-41.9	173.9	0	0	0	0	0	112.7	Y376 F377 Y384	Y376-G380 PolarHBondContact O-N 3.09Å; F377-G380 PolarHBondContact O-N 3.45Å; F377-G380 VanDerWaalsContact O-N 3.12Å; G380-Y384 WeakPolarHBondContact O-CB 3.46Å; G380-Y384 PolarHBondContact O-N 3.26Å
381	V	98.6	Very high	97.8	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.012	6%	0.059	C	C	.	.	H	α-helix	trans	-64.1	-44.1	175.1	175.5	0	0	0	0	110.9	F359 F377 T378 L379 Y384 E385 P392 F393 L432	F359-V381 HydrophobicContact CD1-CB 3.97Å; F359-V381 HydrophobicContact CD1-CG1 3.45Å; F359-V381 VanDerWaalsContact CD1-CG1 3.45Å; F359-V381 HydrophobicContact CE1-CB 4.37Å; F359-V381 HydrophobicContact CE1-CG1 3.59Å; F359-V381 HydrophobicContact CG-CG1 3.99Å; F359-V381 HydrophobicContact CZ-CG1 4.24Å; F377-V381 HydrophobicContact CD1-CG2 4.05Å; F377-V381 HydrophobicContact CE1-CG2 3.73Å; F377-V381 HydrophobicContact CZ-CG2 4.43Å; F377-V381 PolarHBondContact O-N 3.45Å; T378-V381 PolarHBondContact O-N 2.88Å; L379-V381 VanDerWaalsContact C-N 3.32Å; L379-V381 PolarHBondContact O-N 3.24Å; V381-Y384 PolarHBondContact O-N 3.35Å; V381-E385 WeakPolarHBondContact O-CB 3.33Å; V381-E385 PolarHBondContact O-N 3.44Å; V381-P392 HydrophobicContact CB-CG 4.45Å; V381-P392 HydrophobicContact CG1-CG 4.21Å; V381-P392 HydrophobicContact CG2-CG 4.15Å; V381-F393 HydrophobicContact CG2-CE2 4.42Å; V381-L432 HydrophobicContact CB-CD2 4.49Å; V381-L432 HydrophobicContact CG2-CD2 3.61Å
382	T	98.6	Very high	97.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.2	-46	-179	-61.1	0	0	0	0	111.7	P321 T378 L379 E385 F386	P321-T382 HydrophobicContact CG-CG2 4.25Å; T378-T382 WeakPolarHBondContact O-CB 3.36Å; T378-T382 PolarHBondContact O-N 3.35Å; T378-T382 PolarHBondContact O-OG1 2.84Å; L379-T382 PolarHBondContact O-N 3.16Å; T382-E385 PolarHBondContact O-N 3.42Å; T382-E385 VanDerWaalsContact O-N 3.12Å; T382-F386 HydrophobicContact CG2-CD1 4.24Å; T382-F386 HydrophobicContact CG2-CE1 3.54Å; T382-F386 HydrophobicContact CG2-CE2 4.24Å; T382-F386 HydrophobicContact CG2-CZ 3.53Å; T382-F386 VanDerWaalsContact O-CD1 3.3Å; T382-F386 WeakPolarHBondContact O-CD1 3.4Å; T382-F386 WeakPolarHBondContact O-CG 3.1Å; T382-F386 PolarHBondContact O-N 3.34Å
383	L	98.6	Very high	97.6	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-64.3	-41.1	176.6	178.1	57.7	0	0	0	111.5	A295 A299 L379 E385 F386 L387 I427 L431 F455	A295-L383 HydrophobicContact CB-CD1 4.05Å; A299-L383 HydrophobicContact CB-CD1 4.26Å; L379-L383 WeakPolarHBondContact O-CB 3.42Å; L379-L383 PolarHBondContact O-N 2.87Å; L383-E385 VanDerWaalsContact C-N 3.27Å; L383-E385 PolarHBondContact O-N 3.47Å; L383-F386 HydrophobicContact CD1-CD2 4.33Å; L383-F386 WeakPolarHBondContact O-CB 3.47Å; L383-F386 PolarHBondContact O-N 3.03Å; L383-L387 HydrophobicContact CD1-CD1 4.36Å; L383-L387 PolarHBondContact O-N 2.78Å; L383-I427 HydrophobicContact CD2-CG1 4.35Å; L383-I427 HydrophobicContact CD2-CG2 3.71Å; L383-L431 HydrophobicContact CD2-CD1 4.44Å; L383-F455 HydrophobicContact CD1-CE1 4.05Å; L383-F455 HydrophobicContact CD1-CZ 3.96Å; L383-F455 HydrophobicContact CD2-CD1 4.49Å; L383-F455 HydrophobicContact CD2-CE1 3.95Å; L383-F455 HydrophobicContact CD2-CZ 4.34Å
384	Y	98.6	Very high	97.2	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-58.1	-44.1	171.8	-175	-78.7	0	0	0	110.5	G380 V381 L387 A388 K390 P392 V414 T415 Y416 F420	G380-Y384 WeakPolarHBondContact O-CB 3.46Å; G380-Y384 PolarHBondContact O-N 3.26Å; V381-Y384 PolarHBondContact O-N 3.35Å; Y384-L387 PolarHBondContact O-N 3.04Å; Y384-A388 HydrophobicContact CD1-CB 3.58Å; Y384-A388 HydrophobicContact CE1-CB 3.28Å; Y384-A388 HydrophobicContact CG-CB 4.42Å; Y384-A388 WeakPolarHBondContact O-CA 3.47Å; Y384-A388 WeakPolarHBondContact O-CB 3.31Å; Y384-A388 PolarHBondContact O-N 3.44Å; Y384-K390 VanDerWaalsContact CD1-O 3.31Å; Y384-K390 WeakPolarHBondContact CD1-O 3.31Å; Y384-K390 HydrophobicContact CE1-CG 4.43Å; Y384-K390 WeakPolarHBondContact CE1-O 3.48Å; Y384-P392 HydrophobicContact CD1-CB 3.82Å; Y384-P392 HydrophobicContact CD1-CG 4.22Å; Y384-P392 HydrophobicContact CD2-CB 4.07Å; Y384-P392 HydrophobicContact CE1-CB 3.99Å; Y384-P392 HydrophobicContact CE2-CB 4.22Å; Y384-P392 HydrophobicContact CG-CB 3.87Å; Y384-P392 HydrophobicContact CG-CG 4.26Å; Y384-V414 HydrophobicContact CD2-CG1 4Å; Y384-V414 HydrophobicContact CE2-CG1 3.71Å; Y384-T415 VanDerWaalsContact CE2-O 3.3Å; Y384-T415 WeakPolarHBondContact CE2-O 3.48Å; Y384-T415 PolarHBondContact OH-O 3.01Å; Y384-Y416 AromaticContact CD2-CD1 3.95Å; Y384-Y416 HydrophobicContact CD2-CD1 3.95Å; Y384-Y416 AromaticContact CD2-CE1 3.74Å; Y384-Y416 HydrophobicContact CD2-CE1 3.74Å; Y384-Y416 AromaticContact CE2-CD1 3.74Å; Y384-Y416 HydrophobicContact CE2-CD1 3.74Å; Y384-Y416 AromaticContact CE2-CE1 3.9Å; Y384-Y416 HydrophobicContact CE2-CE1 3.9Å; Y384-F420 AromaticContact CD2-CE1 3.97Å; Y384-F420 HydrophobicContact CD2-CE1 3.97Å; Y384-F420 AromaticContact CD2-CZ 3.7Å; Y384-F420 HydrophobicContact CD2-CZ 3.7Å; Y384-F420 HydrophobicContact CE2-CE1 4.41Å; Y384-F420 HydrophobicContact CE2-CE2 4.45Å; Y384-F420 AromaticContact CE2-CZ 3.9Å; Y384-F420 HydrophobicContact CE2-CZ 3.9Å; Y384-F420 HydrophobicContact CG-CZ 4.1Å
385	E	97.9	Very high	96.7	Very high	20 Å²	20	15.1 Å²	15.1	9%	0.093	8%	0.084	C	C	.	.	H	α-helix	trans	-67.6	-35.4	-180	-172.6	167.6	-167.9	0	0	113.3	I280 Y281 P321 F359 V381 T382 L383 L387 A389 K390	I280-E385 HydrophobicContact CD1-CG 4.49Å; Y281-E385 WeakPolarHBondContact CE2-OE1 3.39Å; Y281-E385 WeakPolarHBondContact OH-CG 3.36Å; Y281-E385 PolarHBondContact OH-OE1 3.37Å; P321-E385 HydrophobicContact CG-CG 4.36Å; F359-E385 VanDerWaalsContact CZ-OE2 3.31Å; F359-E385 WeakPolarHBondContact CZ-OE2 3.29Å; V381-E385 WeakPolarHBondContact O-CB 3.33Å; V381-E385 PolarHBondContact O-N 3.44Å; T382-E385 PolarHBondContact O-N 3.42Å; T382-E385 VanDerWaalsContact O-N 3.12Å; L383-E385 VanDerWaalsContact C-N 3.27Å; L383-E385 PolarHBondContact O-N 3.47Å; E385-L387 VanDerWaalsContact C-N 3.33Å; E385-L387 PolarHBondContact O-N 3.28Å; E385-A389 VanDerWaalsContact O-CA 3.3Å; E385-A389 WeakPolarHBondContact O-CA 3.49Å; E385-A389 PolarHBondContact O-N 3.16Å; E385-K390 WeakPolarHBondContact CA-O 3.49Å
386	F	97.9	Very high	95.8	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-54.7	-51.7	171.9	-70.8	-4.3	0	0	0	110.9	L276 I280 G289 F290 A295 I302 P321 T382 L383	L276-F386 HydrophobicContact CB-CE1 4.27Å; L276-F386 HydrophobicContact CD1-CE1 3.76Å; L276-F386 HydrophobicContact CD1-CE2 4.22Å; L276-F386 HydrophobicContact CD1-CZ 3.34Å; I280-F386 HydrophobicContact CD1-CD1 3.58Å; I280-F386 HydrophobicContact CD1-CE1 4.01Å; I280-F386 HydrophobicContact CG1-CD1 4.29Å; G289-F386 CarbonylContact C-O 3.47Å; G289-F386 WeakPolarHBondContact CA-O 3.47Å; F290-F386 HydrophobicContact CD2-CB 3.76Å; F290-F386 HydrophobicContact CD2-CD1 4.11Å; F290-F386 HydrophobicContact CD2-CD2 4.19Å; F290-F386 AromaticContact CD2-CG 3.77Å; F290-F386 HydrophobicContact CD2-CG 3.77Å; F290-F386 HydrophobicContact CE2-CB 4.35Å; F290-F386 AromaticContact CE2-CD1 3.82Å; F290-F386 HydrophobicContact CE2-CD1 3.82Å; F290-F386 HydrophobicContact CE2-CD2 4.41Å; F290-F386 HydrophobicContact CE2-CE1 4.17Å; F290-F386 AromaticContact CE2-CG 3.94Å; F290-F386 HydrophobicContact CE2-CG 3.94Å; F290-F386 PolarHBondContact N-O 2.86Å; A295-F386 HydrophobicContact CB-CB 3.99Å; A295-F386 HydrophobicContact CB-CD2 4.17Å; I302-F386 HydrophobicContact CD1-CE2 4.13Å; I302-F386 HydrophobicContact CD1-CZ 3.96Å; P321-F386 HydrophobicContact CB-CE1 4.41Å; P321-F386 HydrophobicContact CG-CE1 4.23Å; T382-F386 HydrophobicContact CG2-CD1 4.24Å; T382-F386 HydrophobicContact CG2-CE1 3.54Å; T382-F386 HydrophobicContact CG2-CE2 4.24Å; T382-F386 HydrophobicContact CG2-CZ 3.53Å; T382-F386 VanDerWaalsContact O-CD1 3.3Å; T382-F386 WeakPolarHBondContact O-CD1 3.4Å; T382-F386 WeakPolarHBondContact O-CG 3.1Å; T382-F386 PolarHBondContact O-N 3.34Å; L383-F386 HydrophobicContact CD1-CD2 4.33Å; L383-F386 WeakPolarHBondContact O-CB 3.47Å; L383-F386 PolarHBondContact O-N 3.03Å
387	L	97.6	Very high	95	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-75.7	-44.6	-176.5	-63.7	174.3	0	0	0	110.8	E292 A295 L383 Y384 E385 K419 F420 A424	E292-L387 HydrophobicContact CB-CD2 4.45Å; E292-L387 HydrophobicContact CG-CD2 3.79Å; A295-L387 HydrophobicContact CB-CD2 3.62Å; A295-L387 HydrophobicContact CB-CG 4.16Å; L383-L387 HydrophobicContact CD1-CD1 4.36Å; L383-L387 PolarHBondContact O-N 2.78Å; Y384-L387 PolarHBondContact O-N 3.04Å; E385-L387 VanDerWaalsContact C-N 3.33Å; E385-L387 PolarHBondContact O-N 3.28Å; L387-K419 WeakPolarHBondContact O-CD 3.42Å; L387-K419 WeakPolarHBondContact O-CE 3.4Å; L387-K419 PolarHBondContact O-NZ 2.86Å; L387-F420 HydrophobicContact CB-CE1 3.95Å; L387-F420 HydrophobicContact CB-CE2 3.9Å; L387-F420 HydrophobicContact CB-CZ 3.55Å; L387-F420 HydrophobicContact CD1-CD1 3.79Å; L387-F420 HydrophobicContact CD1-CE1 3.55Å; L387-F420 HydrophobicContact CD1-CZ 4.08Å; L387-F420 HydrophobicContact CG-CE1 4.39Å; L387-F420 HydrophobicContact CG-CZ 4.46Å; L387-A424 HydrophobicContact CD1-CB 3.92Å
388	A	96.7	Very high	94.5	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-83.1	-24.3	-170.3	0	0	0	0	0	115.1	Y384 K390 K419 F420	Y384-A388 HydrophobicContact CD1-CB 3.58Å; Y384-A388 HydrophobicContact CE1-CB 3.28Å; Y384-A388 HydrophobicContact CG-CB 4.42Å; Y384-A388 WeakPolarHBondContact O-CA 3.47Å; Y384-A388 WeakPolarHBondContact O-CB 3.31Å; Y384-A388 PolarHBondContact O-N 3.44Å; A388-K390 HydrophobicContact CB-CG 3.96Å; A388-K390 PolarHBondContact O-N 3.03Å; A388-K419 VanDerWaalsContact C-NZ 3.33Å; A388-K419 VanDerWaalsContact CA-CE 3.45Å; A388-K419 VanDerWaalsContact CA-NZ 3.25Å; A388-K419 PolarHBondContact O-NZ 3.07Å; A388-K419 VanDerWaalsContact O-NZ 3.15Å; A388-F420 HydrophobicContact CB-CE2 4.14Å; A388-F420 HydrophobicContact CB-CZ 4.16Å
389	A	95.9	Very high	93.9	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.041	20%	0.203	C	C	.	.	S	Bend	trans	52.7	37.1	-166	0	0	0	0	0	113.2	I280 Y281 P288 E385	I280-A389 HydrophobicContact CG2-CB 4.06Å; Y281-A389 HydrophobicContact CE1-CB 4.15Å; Y281-A389 WeakPolarHBondContact CE1-O 3.11Å; P288-A389 HydrophobicContact CB-CB 3.73Å; P288-A389 HydrophobicContact CG-CB 4.01Å; P288-A389 WeakPolarHBondContact O-CB 3.3Å; E385-A389 VanDerWaalsContact O-CA 3.3Å; E385-A389 WeakPolarHBondContact O-CA 3.49Å; E385-A389 PolarHBondContact O-N 3.16Å
390	K	94.7	Very high	93.5	Very high	62 Å²	62	40.5 Å²	40.5	27%	0.27	22%	0.215	S	C	.	.	S	Bend	trans	-166.5	156.5	170.4	58.8	168.6	-172.6	161.9	0	108.7	Y384 E385 A388	Y384-K390 VanDerWaalsContact CD1-O 3.31Å; Y384-K390 WeakPolarHBondContact CD1-O 3.31Å; Y384-K390 HydrophobicContact CE1-CG 4.43Å; Y384-K390 WeakPolarHBondContact CE1-O 3.48Å; E385-K390 WeakPolarHBondContact CA-O 3.49Å; A388-K390 HydrophobicContact CB-CG 3.96Å; A388-K390 PolarHBondContact O-N 3.03Å
391	G	94.9	Very high	93.2	Very high	19 Å²	19	47.1 Å²	47.1	20%	0.196	25%	0.246	C	C	.	.			trans	-69.3	154.5	171.3	0	0	0	0	0	112.9	F393 R394	G391-F393 VanDerWaalsContact C-N 3.25Å; G391-F393 PolarHBondContact O-N 3.39Å; G391-R394 PolarHBondContact O-N 3.05Å
392	P	96.3	Very high	92.8	Very high	15 Å²	15	51.5 Å²	51.5	10%	0.097	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.1	-178.1	22.6	-29.9	0	0	0	114.1	V381 Y384 V414 L432	V381-P392 HydrophobicContact CB-CG 4.45Å; V381-P392 HydrophobicContact CG1-CG 4.21Å; V381-P392 HydrophobicContact CG2-CG 4.15Å; Y384-P392 HydrophobicContact CD1-CB 3.82Å; Y384-P392 HydrophobicContact CD1-CG 4.22Å; Y384-P392 HydrophobicContact CD2-CB 4.07Å; Y384-P392 HydrophobicContact CE1-CB 3.99Å; Y384-P392 HydrophobicContact CE2-CB 4.22Å; Y384-P392 HydrophobicContact CG-CB 3.87Å; Y384-P392 HydrophobicContact CG-CG 4.26Å; P392-V414 HydrophobicContact CB-CG1 3.73Å; P392-V414 HydrophobicContact CB-CG2 4.24Å; P392-L432 HydrophobicContact CG-CD1 4.48Å
393	F	94.9	Very high	92.5	Very high	13 Å²	13	59.5 Å²	59.5	6%	0.057	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	7.9	-175.5	-52.5	-71.3	0	0	0	113.9	F377 V381 G391 R408 I409 V414	F377-F393 HydrophobicContact CE1-CE2 4.34Å; F377-F393 AromaticContact CZ-CE2 3.86Å; F377-F393 HydrophobicContact CZ-CE2 3.86Å; F377-F393 HydrophobicContact CZ-CZ 4.03Å; V381-F393 HydrophobicContact CG2-CE2 4.42Å; G391-F393 VanDerWaalsContact C-N 3.25Å; G391-F393 PolarHBondContact O-N 3.39Å; F393-R408 HydrophobicContact CB-CB 4.22Å; F393-R408 HydrophobicContact CD1-CB 4.34Å; F393-R408 VanDerWaalsContact O-CD 3.25Å; F393-R408 WeakPolarHBondContact O-CD 3.22Å; F393-R408 PolarHBondContact O-NH1 2.66Å; F393-I409 HydrophobicContact CB-CG1 4.2Å; F393-I409 HydrophobicContact CD1-CG1 4.23Å; F393-I409 HydrophobicContact CD2-CB 4.48Å; F393-I409 HydrophobicContact CD2-CD1 4.32Å; F393-I409 HydrophobicContact CD2-CG1 3.42Å; F393-I409 VanDerWaalsContact CD2-CG1 3.42Å; F393-I409 HydrophobicContact CE2-CB 4.48Å; F393-I409 HydrophobicContact CE2-CG1 3.77Å; F393-I409 HydrophobicContact CG-CG1 3.67Å; F393-I409 HydrophobicContact CZ-CG1 4.31Å; F393-V414 HydrophobicContact CE1-CG2 3.71Å; F393-V414 HydrophobicContact CZ-CG2 3.68Å
394	R	89.9	Confident	92.3	Very high	80 Å²	80	62.3 Å²	62.3	30%	0.302	32%	0.321	S	S	.	.	S	Bend	trans	-137.9	143.1	-179.5	-65.9	-175.7	-177.9	-172	-0.4	111	P357 G391 E398 V405	P357-R394 PolarHBondContact O-NH2 3.3Å; G391-R394 PolarHBondContact O-N 3.05Å; R394-E398 WeakPolarHBondContact CA-OE2 3.28Å; R394-V405 HydrophobicContact CG-CG1 4.42Å; R394-V405 HydrophobicContact CG-CG2 4.2Å; R394-V405 VanDerWaalsContact NE-CG2 3.34Å
395	S	86.9	Confident	92.1	Very high	72 Å²	72	62.3 Å²	62.3	50%	0.503	32%	0.321	S	S	.	.			trans	-81.6	154.1	167.9	-62.6	0	0	0	0	110.8	G397 E398	S395-G397 PolarHBondContact O-N 2.98Å; S395-E398 PolarHBondContact N-OE2 3.44Å; S395-E398 WeakPolarHBondContact O-CB 3.48Å; S395-E398 PolarHBondContact O-N 2.63Å
396	R	81.6	Confident	92	Very high	163 Å²	163	65 Å²	65	62%	0.615	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	126.6	178.5	-169.7	175.3	-179.5	-171.2	1.9	109.6	E398	R396-E398 PolarHBondContact O-N 3.29Å
397	G	80.6	Confident	91.9	Very high	75 Å²	75	71.7 Å²	71.7	77%	0.773	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	1.1	-178	0	0	0	0	0	115.5	S395 K399	S395-G397 PolarHBondContact O-N 2.98Å; G397-K399 PolarHBondContact O-N 3.16Å
398	E	88.2	Confident	91.9	Very high	57 Å²	57	74.1 Å²	74.1	27%	0.266	37%	0.37	S	S	.	.			trans	-69.3	124.4	-179.1	-171.8	-175.8	-162.9	0	0	111.7	R394 S395 R396 V400 R408	R394-E398 WeakPolarHBondContact CA-OE2 3.28Å; S395-E398 PolarHBondContact N-OE2 3.44Å; S395-E398 WeakPolarHBondContact O-CB 3.48Å; S395-E398 PolarHBondContact O-N 2.63Å; R396-E398 PolarHBondContact O-N 3.29Å; E398-V400 HydrophobicContact CG-CB 4.49Å; E398-V400 HydrophobicContact CG-CG1 3.76Å; E398-V400 HydrophobicContact CG-CG2 4.11Å; E398-V400 WeakPolarHBondContact OE1-CG1 3.47Å; E398-R408 VanDerWaalsContact CD-NH1 3.29Å; E398-R408 IonicContact OE1-CZ 3.33Å; E398-R408 IonicContact OE1-NH1 3.03Å; E398-R408 PolarHBondContact OE1-NH1 3.37Å; E398-R408 IonicContact OE1-NH2 2.72Å; E398-R408 PolarHBondContact OE1-NH2 3.26Å; E398-R408 IonicContact OE2-CZ 3.49Å; E398-R408 IonicContact OE2-NH1 3.03Å; E398-R408 PolarHBondContact OE2-NH1 2.75Å; E398-R408 IonicContact OE2-NH2 2.69Å
399	K	86.6	Confident	91.9	Very high	207 Å²	207	73.7 Å²	73.7	90%	0.9	37%	0.366	S	S	*	.			trans	-102.7	97.8	172.2	-65.9	-177.7	-177.3	177.1	0	109.4	G397	G397-K399 PolarHBondContact O-N 3.16Å
400	V	90	Very high	91.9	Very high	42 Å²	42	75.4 Å²	75.4	26%	0.255	38%	0.375	S	S	.	.			trans	-124.4	150.5	177.2	-78.3	0	0	0	0	111.2	E398 V404 V405	E398-V400 HydrophobicContact CG-CB 4.49Å; E398-V400 HydrophobicContact CG-CG1 3.76Å; E398-V400 HydrophobicContact CG-CG2 4.11Å; E398-V400 WeakPolarHBondContact OE1-CG1 3.47Å; V400-V404 HydrophobicContact CB-CB 4.41Å; V400-V404 HydrophobicContact CB-CG1 4.49Å; V400-V405 HydrophobicContact CG2-CG2 3.54Å
401	E	91.9	Very high	92	Very high	139 Å²	139	77.4 Å²	77.4	65%	0.65	39%	0.388	S	S	*	.			trans	-63	147.3	176.5	-64.7	-174.5	-173.1	0	0	112	K403 V404 V405	E401-K403 PolarHBondContact O-N 3Å; E401-K403 VanDerWaalsContact O-N 3.08Å; E401-V404 HydrophobicContact CB-CG2 4.43Å; E401-V404 WeakPolarHBondContact O-CB 3.26Å; E401-V404 PolarHBondContact O-N 2.84Å; E401-V405 PolarHBondContact O-N 2.79Å
402	N	90.3	Very high	92.1	Very high	94 Å²	94	79.9 Å²	79.9	50%	0.503	40%	0.397	S	S	.	.	H	α-helix	trans	-56	-30	178.4	-72.3	-17.5	0	0	0	113.1	V405 K406	N402-V405 PolarHBondContact O-N 2.8Å; N402-K406 WeakPolarHBondContact O-CB 3.48Å; N402-K406 PolarHBondContact O-N 2.84Å
403	K	92.9	Very high	92	Very high	168 Å²	168	84.5 Å²	84.5	73%	0.73	43%	0.427	S	S	*	.	H	α-helix	trans	-65.2	-37	176.1	-68.5	-179	-179.5	175.8	0	112.6	E401 K407	E401-K403 PolarHBondContact O-N 3Å; E401-K403 VanDerWaalsContact O-N 3.08Å; K403-K407 PolarHBondContact O-N 3.36Å
404	V	94.3	Very high	92.1	Very high	59 Å²	59	85.1 Å²	85.1	36%	0.358	43%	0.432	S	S	.	.	H	α-helix	trans	-67.8	-48.3	177	178.4	0	0	0	0	109.5	V400 E401 K406 K407 R408	V400-V404 HydrophobicContact CB-CB 4.41Å; V400-V404 HydrophobicContact CB-CG1 4.49Å; E401-V404 HydrophobicContact CB-CG2 4.43Å; E401-V404 WeakPolarHBondContact O-CB 3.26Å; E401-V404 PolarHBondContact O-N 2.84Å; V404-K406 VanDerWaalsContact C-N 3.32Å; V404-K406 PolarHBondContact O-N 2.93Å; V404-K407 WeakPolarHBondContact O-CA 3.41Å; V404-K407 WeakPolarHBondContact O-CB 3.46Å; V404-K407 PolarHBondContact O-N 3.14Å; V404-R408 WeakPolarHBondContact O-CG 3.36Å; V404-R408 PolarHBondContact O-N 3.16Å
405	V	93.8	Very high	92.3	Very high	1 Å²	1	85.9 Å²	85.9	1%	0.006	45%	0.445	C	S	.	.	H	α-helix	trans	-60.7	-42.7	178.7	-178	0	0	0	0	111	R394 V400 E401 N402 K407 R408 I409	R394-V405 HydrophobicContact CG-CG1 4.42Å; R394-V405 HydrophobicContact CG-CG2 4.2Å; R394-V405 VanDerWaalsContact NE-CG2 3.34Å; V400-V405 HydrophobicContact CG2-CG2 3.54Å; E401-V405 PolarHBondContact O-N 2.79Å; N402-V405 PolarHBondContact O-N 2.8Å; V405-K407 VanDerWaalsContact C-N 3.34Å; V405-K407 PolarHBondContact O-N 2.78Å; V405-R408 PolarHBondContact O-N 3.1Å; V405-I409 HydrophobicContact CG1-CD1 4.05Å; V405-I409 WeakPolarHBondContact O-CG1 3.3Å; V405-I409 PolarHBondContact O-N 2.72Å
406	K	95.6	Very high	92.8	Very high	77 Å²	77	84.3 Å²	84.3	34%	0.335	43%	0.429	S	S	.	.	H	α-helix	trans	-55.4	-47.8	171.7	174.1	174.8	-178.1	171.1	0	111.4	L365 N402 V404 R408 I409 L410	L365-K406 HydrophobicContact CB-CG 4.37Å; L365-K406 HydrophobicContact CD1-CG 4.23Å; L365-K406 HydrophobicContact CD2-CD 4.46Å; L365-K406 HydrophobicContact CD2-CG 4.36Å; L365-K406 WeakPolarHBondContact O-CE 3.02Å; L365-K406 PolarHBondContact O-NZ 2.99Å; N402-K406 WeakPolarHBondContact O-CB 3.48Å; N402-K406 PolarHBondContact O-N 2.84Å; V404-K406 VanDerWaalsContact C-N 3.32Å; V404-K406 PolarHBondContact O-N 2.93Å; K406-R408 VanDerWaalsContact C-N 3.32Å; K406-R408 PolarHBondContact O-N 2.96Å; K406-I409 PolarHBondContact O-N 2.82Å; K406-L410 HydrophobicContact CG-CD1 3.93Å; K406-L410 HydrophobicContact CG-CG 4.49Å; K406-L410 VanDerWaalsContact O-CG 3.25Å; K406-L410 WeakPolarHBondContact O-CG 3.29Å; K406-L410 PolarHBondContact O-N 3.07Å
407	K	96.6	Very high	93.3	Very high	142 Å²	142	78.9 Å²	78.9	62%	0.617	42%	0.415	S	S	*	.	H	α-helix	trans	-60.1	-42.2	178.1	-171.6	-176.5	176.2	-175.6	0	111.6	K403 V404 V405 L410 N411	K403-K407 PolarHBondContact O-N 3.36Å; V404-K407 WeakPolarHBondContact O-CA 3.41Å; V404-K407 WeakPolarHBondContact O-CB 3.46Å; V404-K407 PolarHBondContact O-N 3.14Å; V405-K407 VanDerWaalsContact C-N 3.34Å; V405-K407 PolarHBondContact O-N 2.78Å; K407-L410 PolarHBondContact O-N 3.09Å; K407-N411 WeakPolarHBondContact CG-ND2 3.33Å; K407-N411 WeakPolarHBondContact O-CB 3.42Å; K407-N411 PolarHBondContact O-N 2.81Å; K407-N411 PolarHBondContact O-ND2 3.3Å
408	R	96.6	Very high	93.9	Very high	55 Å²	55	85 Å²	85	21%	0.208	42%	0.423	C	S	.	.	H	α-helix	trans	-62.2	-50.1	177.6	-62.8	-177	179.5	165.3	-0.6	111.7	F393 E398 V404 V405 K406 L410 N411 D412	F393-R408 HydrophobicContact CB-CB 4.22Å; F393-R408 HydrophobicContact CD1-CB 4.34Å; F393-R408 VanDerWaalsContact O-CD 3.25Å; F393-R408 WeakPolarHBondContact O-CD 3.22Å; F393-R408 PolarHBondContact O-NH1 2.66Å; E398-R408 VanDerWaalsContact CD-NH1 3.29Å; E398-R408 IonicContact OE1-CZ 3.33Å; E398-R408 IonicContact OE1-NH1 3.03Å; E398-R408 PolarHBondContact OE1-NH1 3.37Å; E398-R408 IonicContact OE1-NH2 2.72Å; E398-R408 PolarHBondContact OE1-NH2 3.26Å; E398-R408 IonicContact OE2-CZ 3.49Å; E398-R408 IonicContact OE2-NH1 3.03Å; E398-R408 PolarHBondContact OE2-NH1 2.75Å; E398-R408 IonicContact OE2-NH2 2.69Å; V404-R408 WeakPolarHBondContact O-CG 3.36Å; V404-R408 PolarHBondContact O-N 3.16Å; V405-R408 PolarHBondContact O-N 3.1Å; K406-R408 VanDerWaalsContact C-N 3.32Å; K406-R408 PolarHBondContact O-N 2.96Å; R408-L410 VanDerWaalsContact C-N 3.25Å; R408-L410 PolarHBondContact O-N 3.42Å; R408-N411 PolarHBondContact O-N 3.39Å; R408-D412 HydrophobicContact CB-CB 4.45Å; R408-D412 VanDerWaalsContact CG-OD2 3.31Å; R408-D412 WeakPolarHBondContact CG-OD2 3.46Å; R408-D412 WeakPolarHBondContact O-CB 3.5Å; R408-D412 PolarHBondContact O-N 3.15Å
409	I	96.9	Very high	94	Very high	2 Å²	2	87.3 Å²	87.3	1%	0.01	43%	0.432	C	S	.	.	H	α-helix	trans	-53.9	-45.4	176.3	-67.7	164	0	0	0	110.7	P362 L365 F377 F393 V405 K406 K434	P362-I409 HydrophobicContact CG-CG2 4.18Å; L365-I409 HydrophobicContact CD1-CB 3.97Å; L365-I409 HydrophobicContact CD1-CD1 3.83Å; L365-I409 HydrophobicContact CD1-CG2 3.69Å; F377-I409 HydrophobicContact CE1-CG2 4.26Å; F377-I409 HydrophobicContact CZ-CG2 3.9Å; F393-I409 HydrophobicContact CB-CG1 4.2Å; F393-I409 HydrophobicContact CD1-CG1 4.23Å; F393-I409 HydrophobicContact CD2-CB 4.48Å; F393-I409 HydrophobicContact CD2-CD1 4.32Å; F393-I409 HydrophobicContact CD2-CG1 3.42Å; F393-I409 VanDerWaalsContact CD2-CG1 3.42Å; F393-I409 HydrophobicContact CE2-CB 4.48Å; F393-I409 HydrophobicContact CE2-CG1 3.77Å; F393-I409 HydrophobicContact CG-CG1 3.67Å; F393-I409 HydrophobicContact CZ-CG1 4.31Å; V405-I409 HydrophobicContact CG1-CD1 4.05Å; V405-I409 WeakPolarHBondContact O-CG1 3.3Å; V405-I409 PolarHBondContact O-N 2.72Å; K406-I409 PolarHBondContact O-N 2.82Å; I409-K434 WeakPolarHBondContact O-CE 3.47Å; I409-K434 PolarHBondContact O-NZ 3.33Å
410	L	97.2	Very high	94.5	Very high	41 Å²	41	78.3 Å²	78.3	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-70.6	-36.8	-177.3	-66.5	175.5	0	0	0	113.7	P362 L365 K366 K406 K407 R408 K434	P362-L410 HydrophobicContact CB-CD2 3.94Å; L365-L410 HydrophobicContact CB-CD2 4.3Å; K366-L410 HydrophobicContact CD-CD2 4.36Å; K366-L410 HydrophobicContact CG-CD2 3.86Å; K406-L410 HydrophobicContact CG-CD1 3.93Å; K406-L410 HydrophobicContact CG-CG 4.49Å; K406-L410 VanDerWaalsContact O-CG 3.25Å; K406-L410 WeakPolarHBondContact O-CG 3.29Å; K406-L410 PolarHBondContact O-N 3.07Å; K407-L410 PolarHBondContact O-N 3.09Å; R408-L410 VanDerWaalsContact C-N 3.25Å; R408-L410 PolarHBondContact O-N 3.42Å; L410-K434 WeakPolarHBondContact O-CD 3.4Å; L410-K434 PolarHBondContact O-NZ 3.39Å; L410-K434 VanDerWaalsContact O-NZ 3.09Å
411	N	96.1	Very high	94.9	Very high	105 Å²	105	78 Å²	78	56%	0.561	39%	0.393	S	S	*	.	H	α-helix	trans	-118.1	-34.6	-166	-55.9	-70.6	0	0	0	114.6	K407 R408 K434	K407-N411 WeakPolarHBondContact CG-ND2 3.33Å; K407-N411 WeakPolarHBondContact O-CB 3.42Å; K407-N411 PolarHBondContact O-N 2.81Å; K407-N411 PolarHBondContact O-ND2 3.3Å; R408-N411 PolarHBondContact O-N 3.39Å; N411-K434 VanDerWaalsContact N-NZ 3.2Å; N411-K434 PolarHBondContact O-NZ 2.84Å
412	D	96	Very high	95.2	Very high	71 Å²	71	79.9 Å²	79.9	38%	0.38	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-84.9	138.8	-169.9	-58.7	2.2	0	0	0	110.6	R408 K434	R408-D412 HydrophobicContact CB-CB 4.45Å; R408-D412 VanDerWaalsContact CG-OD2 3.31Å; R408-D412 WeakPolarHBondContact CG-OD2 3.46Å; R408-D412 WeakPolarHBondContact O-CB 3.5Å; R408-D412 PolarHBondContact O-N 3.15Å; D412-K434 WeakPolarHBondContact O-CE 3.27Å; D412-K434 PolarHBondContact O-NZ 2.56Å
413	P	94.7	Very high	95.6	Very high	112 Å²	112	77.2 Å²	77.2	73%	0.727	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-69.8	149.2	169	30	-33.7	0	0	0	110.6
414	V	96.6	Very high	95.8	Very high	26 Å²	26	69.2 Å²	69.2	16%	0.158	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-74.8	140.8	173.9	-179	0	0	0	0	109.1	Y384 P392 F393 Y416 L432	Y384-V414 HydrophobicContact CD2-CG1 4Å; Y384-V414 HydrophobicContact CE2-CG1 3.71Å; P392-V414 HydrophobicContact CB-CG1 3.73Å; P392-V414 HydrophobicContact CB-CG2 4.24Å; F393-V414 HydrophobicContact CE1-CG2 3.71Å; F393-V414 HydrophobicContact CZ-CG2 3.68Å; V414-Y416 HydrophobicContact CB-CE2 4.14Å; V414-Y416 HydrophobicContact CG1-CE1 3.92Å; V414-Y416 HydrophobicContact CG1-CE2 4.01Å; V414-L432 HydrophobicContact CG1-CD1 4.19Å; V414-L432 HydrophobicContact CG2-CB 4.4Å; V414-L432 HydrophobicContact CG2-CD1 3.97Å
415	T	95.7	Very high	96	Very high	95 Å²	95	72.4 Å²	72.4	58%	0.583	36%	0.361	S	S	*	.			trans	-110.6	136.5	176.1	54.4	0	0	0	0	110.1	Y384	Y384-T415 VanDerWaalsContact CE2-O 3.3Å; Y384-T415 WeakPolarHBondContact CE2-O 3.48Å; Y384-T415 PolarHBondContact OH-O 3.01Å
416	Y	96.3	Very high	96.2	Very high	40 Å²	40	74.7 Å²	74.7	16%	0.157	38%	0.377	C	S	.	.			trans	-112.9	121.8	-174.8	-60.8	-83.5	0	0	0	110	Y384 V414 F420 R425 C428 E429	Y384-Y416 AromaticContact CD2-CD1 3.95Å; Y384-Y416 HydrophobicContact CD2-CD1 3.95Å; Y384-Y416 AromaticContact CD2-CE1 3.74Å; Y384-Y416 HydrophobicContact CD2-CE1 3.74Å; Y384-Y416 AromaticContact CE2-CD1 3.74Å; Y384-Y416 HydrophobicContact CE2-CD1 3.74Å; Y384-Y416 AromaticContact CE2-CE1 3.9Å; Y384-Y416 HydrophobicContact CE2-CE1 3.9Å; V414-Y416 HydrophobicContact CB-CE2 4.14Å; V414-Y416 HydrophobicContact CG1-CE1 3.92Å; V414-Y416 HydrophobicContact CG1-CE2 4.01Å; Y416-F420 AromaticContact CD1-CD1 3.76Å; Y416-F420 HydrophobicContact CD1-CD1 3.76Å; Y416-F420 AromaticContact CD1-CE1 3.86Å; Y416-F420 HydrophobicContact CD1-CE1 3.86Å; Y416-F420 HydrophobicContact CD1-CG 4.2Å; Y416-F420 HydrophobicContact CD1-CZ 4.38Å; Y416-F420 HydrophobicContact CE1-CD1 4.45Å; Y416-F420 HydrophobicContact CE1-CE1 4.31Å; Y416-R425 HydrophobicContact CD1-CG 4.34Å; Y416-R425 HydrophobicContact CD2-CG 3.86Å; Y416-R425 HydrophobicContact CE2-CG 4.19Å; Y416-R425 HydrophobicContact CG-CG 3.93Å; Y416-C428 HydrophobicContact CE1-CB 3.52Å; Y416-E429 HydrophobicContact CE2-CG 3.57Å; Y416-E429 WeakPolarHBondContact OH-CG 3.34Å; Y416-E429 PolarHBondContact OH-N 3.12Å
417	P	93.2	Very high	96.4	Very high	49 Å²	49	71 Å²	71	32%	0.318	36%	0.362	S	S	.	.			trans	-64.9	161.2	171.5	-17.7	29.5	0	0	0	112.2	K419 F420	P417-K419 HydrophobicContact CB-CG 4.29Å; P417-K419 PolarHBondContact O-N 3.46Å; P417-F420 HydrophobicContact CG-CE2 4.3Å; P417-F420 PolarHBondContact O-N 3.11Å; P417-F420 VanDerWaalsContact O-N 3.12Å
418	E	91.6	Very high	96.5	Very high	203 Å²	203	64.3 Å²	64.3	95%	0.949	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20	-178.4	-65.9	-178.5	172.1	0	0	114.9	F420	E418-F420 PolarHBondContact O-N 3.47Å
419	K	90.9	Very high	96.6	Very high	105 Å²	105	65.6 Å²	65.6	46%	0.457	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.9	177.9	69.5	178.8	163.9	-179.3	0	114.8	L387 A388 P417	L387-K419 WeakPolarHBondContact O-CD 3.42Å; L387-K419 WeakPolarHBondContact O-CE 3.4Å; L387-K419 PolarHBondContact O-NZ 2.86Å; A388-K419 VanDerWaalsContact C-NZ 3.33Å; A388-K419 VanDerWaalsContact CA-CE 3.45Å; A388-K419 VanDerWaalsContact CA-NZ 3.25Å; A388-K419 PolarHBondContact O-NZ 3.07Å; A388-K419 VanDerWaalsContact O-NZ 3.15Å; P417-K419 HydrophobicContact CB-CG 4.29Å; P417-K419 PolarHBondContact O-N 3.46Å
420	F	97.4	Very high	96.6	Very high	18 Å²	18	66 Å²	66	8%	0.079	35%	0.346	C	S	.	.	S	Bend	trans	-83.7	120.2	175.2	-76.1	-114	0	0	0	108.6	Y384 L387 A388 Y416 P417 E418 A424 R425	Y384-F420 AromaticContact CD2-CE1 3.97Å; Y384-F420 HydrophobicContact CD2-CE1 3.97Å; Y384-F420 AromaticContact CD2-CZ 3.7Å; Y384-F420 HydrophobicContact CD2-CZ 3.7Å; Y384-F420 HydrophobicContact CE2-CE1 4.41Å; Y384-F420 HydrophobicContact CE2-CE2 4.45Å; Y384-F420 AromaticContact CE2-CZ 3.9Å; Y384-F420 HydrophobicContact CE2-CZ 3.9Å; Y384-F420 HydrophobicContact CG-CZ 4.1Å; L387-F420 HydrophobicContact CB-CE1 3.95Å; L387-F420 HydrophobicContact CB-CE2 3.9Å; L387-F420 HydrophobicContact CB-CZ 3.55Å; L387-F420 HydrophobicContact CD1-CD1 3.79Å; L387-F420 HydrophobicContact CD1-CE1 3.55Å; L387-F420 HydrophobicContact CD1-CZ 4.08Å; L387-F420 HydrophobicContact CG-CE1 4.39Å; L387-F420 HydrophobicContact CG-CZ 4.46Å; A388-F420 HydrophobicContact CB-CE2 4.14Å; A388-F420 HydrophobicContact CB-CZ 4.16Å; Y416-F420 AromaticContact CD1-CD1 3.76Å; Y416-F420 HydrophobicContact CD1-CD1 3.76Å; Y416-F420 AromaticContact CD1-CE1 3.86Å; Y416-F420 HydrophobicContact CD1-CE1 3.86Å; Y416-F420 HydrophobicContact CD1-CG 4.2Å; Y416-F420 HydrophobicContact CD1-CZ 4.38Å; Y416-F420 HydrophobicContact CE1-CD1 4.45Å; Y416-F420 HydrophobicContact CE1-CE1 4.31Å; P417-F420 HydrophobicContact CG-CE2 4.3Å; P417-F420 PolarHBondContact O-N 3.11Å; P417-F420 VanDerWaalsContact O-N 3.12Å; E418-F420 PolarHBondContact O-N 3.47Å; F420-A424 HydrophobicContact CB-CB 4.46Å; F420-A424 HydrophobicContact CD1-CB 4.21Å; F420-R425 HydrophobicContact CB-CB 4.42Å
421	S	98	Very high	96.7	Very high	36 Å²	36	64.1 Å²	64.1	25%	0.252	34%	0.336	S	S	.	.			trans	-61	164.6	165.5	67.3	0	0	0	0	111.3	E292 S423 A424 R425	E292-S421 VanDerWaalsContact OE1-CB 3.31Å; E292-S421 WeakPolarHBondContact OE1-CB 3.29Å; E292-S421 PolarHBondContact OE1-N 3.04Å; E292-S421 PolarHBondContact OE1-OG 2.69Å; E292-S421 VanDerWaalsContact OE1-OG 3.04Å; E292-S421 WeakPolarHBondContact OE2-CB 3.18Å; E292-S421 PolarHBondContact OE2-OG 3.42Å; S421-S423 VanDerWaalsContact C-N 3.25Å; S421-S423 PolarHBondContact O-N 2.6Å; S421-S423 PolarHBondContact OG-OG 3.47Å; S421-A424 PolarHBondContact O-N 3Å; S421-A424 VanDerWaalsContact OG-CB 3.31Å; S421-A424 WeakPolarHBondContact OG-CB 3.3Å; S421-A424 PolarHBondContact OG-N 3.36Å; S421-A424 VanDerWaalsContact OG-N 3.15Å; S421-R425 WeakPolarHBondContact O-CB 3.44Å; S421-R425 PolarHBondContact O-N 2.96Å
422	E	98	Very high	96.8	Very high	178 Å²	178	59.6 Å²	59.6	83%	0.832	31%	0.311	S	S	*	.	H	α-helix	trans	-58.9	-39.5	177.4	-170	174.9	-169.9	0	0	111.5	S426	E422-S426 VanDerWaalsContact O-CB 3.27Å; E422-S426 WeakPolarHBondContact O-CB 3.41Å; E422-S426 PolarHBondContact O-N 3.47Å
423	S	98.1	Very high	96.9	Very high	38 Å²	38	57.7 Å²	57.7	27%	0.266	30%	0.303	S	S	.	.	H	α-helix	trans	-69.8	-42.4	176.5	62.4	0	0	0	0	112.1	S421 R425 S426 I427 H453	S421-S423 VanDerWaalsContact C-N 3.25Å; S421-S423 PolarHBondContact O-N 2.6Å; S421-S423 PolarHBondContact OG-OG 3.47Å; S423-R425 VanDerWaalsContact C-N 3.33Å; S423-R425 PolarHBondContact O-N 2.96Å; S423-S426 PolarHBondContact O-N 3.47Å; S423-I427 WeakPolarHBondContact O-CG2 3.36Å; S423-I427 PolarHBondContact O-N 2.99Å; S423-H453 PolarHBondContact O-CE1 3.24Å
424	A	98.4	Very high	97	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-39.6	175.9	0	0	0	0	0	112.2	E292 L387 F420 S421 I427 C428 F455	E292-A424 WeakPolarHBondContact OE1-CB 3.42Å; L387-A424 HydrophobicContact CD1-CB 3.92Å; F420-A424 HydrophobicContact CB-CB 4.46Å; F420-A424 HydrophobicContact CD1-CB 4.21Å; S421-A424 PolarHBondContact O-N 3Å; S421-A424 VanDerWaalsContact OG-CB 3.31Å; S421-A424 WeakPolarHBondContact OG-CB 3.3Å; S421-A424 PolarHBondContact OG-N 3.36Å; S421-A424 VanDerWaalsContact OG-N 3.15Å; A424-I427 WeakPolarHBondContact O-CG2 3.48Å; A424-C428 PolarHBondContact O-N 2.98Å; A424-F455 HydrophobicContact CB-CD2 3.98Å; A424-F455 HydrophobicContact CB-CE2 3.73Å
425	R	98.4	Very high	97.1	Very high	126 Å²	126	59.4 Å²	59.4	48%	0.475	30%	0.299	S	S	.	.	H	α-helix	trans	-65.6	-49.7	174	179.5	175.6	173.9	179.7	-4.8	111.4	Y416 F420 S421 S423 I427 C428 E429	Y416-R425 HydrophobicContact CD1-CG 4.34Å; Y416-R425 HydrophobicContact CD2-CG 3.86Å; Y416-R425 HydrophobicContact CE2-CG 4.19Å; Y416-R425 HydrophobicContact CG-CG 3.93Å; F420-R425 HydrophobicContact CB-CB 4.42Å; S421-R425 WeakPolarHBondContact O-CB 3.44Å; S421-R425 PolarHBondContact O-N 2.96Å; S423-R425 VanDerWaalsContact C-N 3.33Å; S423-R425 PolarHBondContact O-N 2.96Å; R425-I427 PolarHBondContact O-N 2.81Å; R425-C428 PolarHBondContact O-N 3.48Å; R425-E429 HydrophobicContact CG-CG 4.29Å; R425-E429 IonicContact CZ-OE1 3.01Å; R425-E429 IonicContact NE-OE1 3.69Å; R425-E429 PolarHBondContact NE-OE1 3.12Å; R425-E429 IonicContact NH2-OE1 3.59Å; R425-E429 PolarHBondContact NH2-OE1 2.96Å; R425-E429 WeakPolarHBondContact O-CG 3.44Å; R425-E429 PolarHBondContact O-N 3.3Å
426	S	98.4	Very high	97.1	Very high	50 Å²	50	56.8 Å²	56.8	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-57.5	-45.7	-178.8	176.2	0	0	0	0	112.3	E422 S423 C428 E429 G430 H453	E422-S426 VanDerWaalsContact O-CB 3.27Å; E422-S426 WeakPolarHBondContact O-CB 3.41Å; E422-S426 PolarHBondContact O-N 3.47Å; S423-S426 PolarHBondContact O-N 3.47Å; S426-C428 PolarHBondContact O-N 3.21Å; S426-E429 PolarHBondContact O-N 3.01Å; S426-G430 PolarHBondContact O-N 3.38Å; S426-H453 PolarHBondContact OG-NE2 3.26Å; S426-H453 VanDerWaalsContact OG-NE2 3.07Å
427	I	98.6	Very high	97.1	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-41.8	178.6	-171.7	60.9	0	0	0	111.5	L383 S423 A424 R425 G430 L431 F440 L450 H453 F455 F456	L383-I427 HydrophobicContact CD2-CG1 4.35Å; L383-I427 HydrophobicContact CD2-CG2 3.71Å; S423-I427 WeakPolarHBondContact O-CG2 3.36Å; S423-I427 PolarHBondContact O-N 2.99Å; A424-I427 WeakPolarHBondContact O-CG2 3.48Å; R425-I427 PolarHBondContact O-N 2.81Å; I427-G430 PolarHBondContact O-N 3.36Å; I427-L431 HydrophobicContact CD1-CD1 4.28Å; I427-L431 HydrophobicContact CD1-CG 4.38Å; I427-L431 HydrophobicContact CG1-CD1 3.91Å; I427-L431 HydrophobicContact CG1-CG 4.44Å; I427-L431 WeakPolarHBondContact O-CB 3.22Å; I427-L431 VanDerWaalsContact O-CG 3.3Å; I427-L431 WeakPolarHBondContact O-CG 3.41Å; I427-L431 PolarHBondContact O-N 2.91Å; I427-F440 HydrophobicContact CD1-CD2 3.94Å; I427-F440 HydrophobicContact CD1-CE2 4.33Å; I427-L450 HydrophobicContact CD1-CD2 3.82Å; I427-H453 HydrophobicContact CD1-CB 4.12Å; I427-H453 PolarHBondContact N-CE1 2.81Å; I427-F455 HydrophobicContact CB-CB 4.09Å; I427-F455 HydrophobicContact CB-CG 4.36Å; I427-F455 HydrophobicContact CG2-CB 3.94Å; I427-F455 HydrophobicContact CG2-CD1 3.91Å; I427-F455 HydrophobicContact CG2-CD2 4.1Å; I427-F455 HydrophobicContact CG2-CE1 4.44Å; I427-F455 HydrophobicContact CG2-CG 3.71Å; I427-F456 HydrophobicContact CD1-CE2 4.1Å; I427-F456 HydrophobicContact CG1-CE2 4.22Å
428	C	98.6	Very high	97.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-40.3	176.2	-80.2	0	0	0	0	112	Y416 A424 R425 S426 L431 L432	Y416-C428 HydrophobicContact CE1-CB 3.52Å; A424-C428 PolarHBondContact O-N 2.98Å; R425-C428 PolarHBondContact O-N 3.48Å; S426-C428 PolarHBondContact O-N 3.21Å; C428-L431 PolarHBondContact O-N 3.37Å; C428-L432 HydrophobicContact CB-CD1 4.41Å; C428-L432 WeakPolarHBondContact O-CB 3.31Å; C428-L432 VanDerWaalsContact O-CG 3.3Å; C428-L432 WeakPolarHBondContact O-CG 3.29Å; C428-L432 PolarHBondContact O-N 2.59Å
429	E	98.4	Very high	97.5	Very high	83 Å²	83	56.1 Å²	56.1	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-42.3	176.7	-74.7	178.8	168.8	0	0	111.6	Y416 R425 S426 C433	Y416-E429 HydrophobicContact CE2-CG 3.57Å; Y416-E429 WeakPolarHBondContact OH-CG 3.34Å; Y416-E429 PolarHBondContact OH-N 3.12Å; R425-E429 HydrophobicContact CG-CG 4.29Å; R425-E429 IonicContact CZ-OE1 3.01Å; R425-E429 IonicContact NE-OE1 3.69Å; R425-E429 PolarHBondContact NE-OE1 3.12Å; R425-E429 IonicContact NH2-OE1 3.59Å; R425-E429 PolarHBondContact NH2-OE1 2.96Å; R425-E429 WeakPolarHBondContact O-CG 3.44Å; R425-E429 PolarHBondContact O-N 3.3Å; S426-E429 PolarHBondContact O-N 3.01Å; E429-C433 PolarHBondContact O-N 3.43Å; E429-C433 VanDerWaalsContact O-N 3.14Å
430	G	98.3	Very high	97.9	Very high	11 Å²	11	53.2 Å²	53.2	11%	0.113	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-38.2	176.2	0	0	0	0	0	114	S426 I427 C433 R439 F440	S426-G430 PolarHBondContact O-N 3.38Å; I427-G430 PolarHBondContact O-N 3.36Å; G430-C433 WeakPolarHBondContact O-CB 3.3Å; G430-R439 WeakPolarHBondContact O-CA 3.47Å; G430-R439 WeakPolarHBondContact O-CG 3.23Å; G430-F440 PolarHBondContact O-N 2.84Å; G430-F440 VanDerWaalsContact O-N 3.08Å
431	L	98.6	Very high	97.8	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-73.1	-38.6	176	-71.2	169.5	0	0	0	112.7	Y376 F377 L379 L383 I427 C428 C433 R439 F440 L450	Y376-L431 HydrophobicContact CD1-CD2 4.34Å; F377-L431 WeakPolarHBondContact CA-O 3.43Å; L379-L431 HydrophobicContact CD2-CD1 4.21Å; L379-L431 HydrophobicContact CD2-CD2 4.12Å; L379-L431 HydrophobicContact CG-CD1 4.1Å; L383-L431 HydrophobicContact CD2-CD1 4.44Å; I427-L431 HydrophobicContact CD1-CD1 4.28Å; I427-L431 HydrophobicContact CD1-CG 4.38Å; I427-L431 HydrophobicContact CG1-CD1 3.91Å; I427-L431 HydrophobicContact CG1-CG 4.44Å; I427-L431 WeakPolarHBondContact O-CB 3.22Å; I427-L431 VanDerWaalsContact O-CG 3.3Å; I427-L431 WeakPolarHBondContact O-CG 3.41Å; I427-L431 PolarHBondContact O-N 2.91Å; C428-L431 PolarHBondContact O-N 3.37Å; L431-C433 PolarHBondContact O-N 3.33Å; L431-R439 VanDerWaalsContact O-CD 3.27Å; L431-R439 WeakPolarHBondContact O-CD 3.41Å; L431-R439 VanDerWaalsContact O-CG 3.28Å; L431-R439 WeakPolarHBondContact O-CG 3.49Å; L431-F440 HydrophobicContact CD2-CB 4.2Å; L431-L450 HydrophobicContact CD2-CD2 3.89Å
432	L	98.6	Very high	97.8	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.047	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	9.3	179.9	-64.5	169.7	0	0	0	112.8	F377 V381 P392 V414 C428 K434	F377-L432 HydrophobicContact CD2-CD2 4.21Å; F377-L432 HydrophobicContact CE1-CD2 4.32Å; F377-L432 HydrophobicContact CE2-CB 4.39Å; F377-L432 HydrophobicContact CE2-CD2 3.92Å; F377-L432 HydrophobicContact CZ-CD2 3.98Å; V381-L432 HydrophobicContact CB-CD2 4.49Å; V381-L432 HydrophobicContact CG2-CD2 3.61Å; P392-L432 HydrophobicContact CG-CD1 4.48Å; V414-L432 HydrophobicContact CG1-CD1 4.19Å; V414-L432 HydrophobicContact CG2-CB 4.4Å; V414-L432 HydrophobicContact CG2-CD1 3.97Å; C428-L432 HydrophobicContact CB-CD1 4.41Å; C428-L432 WeakPolarHBondContact O-CB 3.31Å; C428-L432 VanDerWaalsContact O-CG 3.3Å; C428-L432 WeakPolarHBondContact O-CG 3.29Å; C428-L432 PolarHBondContact O-N 2.59Å; L432-K434 PolarHBondContact O-N 3.2Å
433	C	98.1	Very high	97.6	Very high	31 Å²	31	48.3 Å²	48.3	21%	0.209	24%	0.24	C	C	.	.			trans	-60.3	126.6	176.7	-170.3	0	0	0	0	110.4	E429 G430 L431 E435 R439	E429-C433 PolarHBondContact O-N 3.43Å; E429-C433 VanDerWaalsContact O-N 3.14Å; G430-C433 WeakPolarHBondContact O-CB 3.3Å; L431-C433 PolarHBondContact O-N 3.33Å; C433-E435 VanDerWaalsContact C-N 3.34Å; C433-R439 HydrophobicContact CB-CB 4.29Å; C433-R439 HydrophobicContact CB-CG 4.41Å; C433-R439 PolarHBondContact O-NE 3.48Å; C433-R439 PolarHBondContact O-NH2 2.78Å; C433-R439 VanDerWaalsContact O-NH2 3.13Å
434	K	97.4	Very high	97.3	Very high	62 Å²	62	54.7 Å²	54.7	27%	0.27	27%	0.271	S	S	.	.	S	Bend	trans	-77	-23.7	-176.1	-55.5	-171.7	-170.4	-167.5	0	112.7	P362 I409 L410 N411 D412 L432	P362-K434 HydrophobicContact CG-CB 4.15Å; P362-K434 HydrophobicContact CG-CG 4.16Å; I409-K434 WeakPolarHBondContact O-CE 3.47Å; I409-K434 PolarHBondContact O-NZ 3.33Å; L410-K434 WeakPolarHBondContact O-CD 3.4Å; L410-K434 PolarHBondContact O-NZ 3.39Å; L410-K434 VanDerWaalsContact O-NZ 3.09Å; N411-K434 VanDerWaalsContact N-NZ 3.2Å; N411-K434 PolarHBondContact O-NZ 2.84Å; D412-K434 WeakPolarHBondContact O-CE 3.27Å; D412-K434 PolarHBondContact O-NZ 2.56Å; L432-K434 PolarHBondContact O-N 3.2Å
435	E	96.9	Very high	97.1	Very high	112 Å²	112	56.6 Å²	56.6	52%	0.523	29%	0.29	S	S	.	.	S	Bend	trans	-82.6	114.9	173.1	-65.5	179.4	-118.9	0	0	108.9	C433 D437 K438 R439	C433-E435 VanDerWaalsContact C-N 3.34Å; E435-D437 PolarHBondContact O-N 3.29Å; E435-K438 HydrophobicContact CB-CB 4.27Å; E435-K438 HydrophobicContact CB-CD 4.23Å; E435-K438 HydrophobicContact CB-CG 4.39Å; E435-K438 PolarHBondContact O-N 2.92Å; E435-K438 IonicContact OE1-NZ 2.72Å; E435-K438 PolarHBondContact OE1-NZ 2.9Å; E435-K438 WeakPolarHBondContact OE2-CD 3.41Å; E435-K438 WeakPolarHBondContact OE2-CE 3.24Å; E435-K438 IonicContact OE2-NZ 3.76Å; E435-K438 PolarHBondContact OE2-NZ 3.03Å; E435-R439 PolarHBondContact O-N 3.44Å
436	V	96.9	Very high	96.9	Very high	40 Å²	40	51.7 Å²	51.7	24%	0.242	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-58.2	-45.7	-173.4	174.5	0	0	0	0	111.9	E363 S373 K438 R439	E363-V436 HydrophobicContact CB-CG2 4.23Å; E363-V436 HydrophobicContact CG-CG2 3.97Å; S373-V436 WeakPolarHBondContact OG-CG1 3.27Å; V436-K438 PolarHBondContact O-N 3.21Å; V436-K438 VanDerWaalsContact O-N 3.16Å; V436-R439 WeakPolarHBondContact O-CB 3.21Å; V436-R439 PolarHBondContact O-N 2.88Å
437	D	95.2	Very high	96.9	Very high	149 Å²	149	49.4 Å²	49.4	80%	0.797	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-66.1	-20.7	-176.4	-56.9	-29.2	0	0	0	113.5	E435	E435-D437 PolarHBondContact O-N 3.29Å
438	K	96.6	Very high	96.7	Very high	123 Å²	123	53.7 Å²	53.7	54%	0.535	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-98.2	-6.1	177.1	-65	179.7	-176.8	159.6	0	112.9	E435 V436	E435-K438 HydrophobicContact CB-CB 4.27Å; E435-K438 HydrophobicContact CB-CD 4.23Å; E435-K438 HydrophobicContact CB-CG 4.39Å; E435-K438 PolarHBondContact O-N 2.92Å; E435-K438 IonicContact OE1-NZ 2.72Å; E435-K438 PolarHBondContact OE1-NZ 2.9Å; E435-K438 WeakPolarHBondContact OE2-CD 3.41Å; E435-K438 WeakPolarHBondContact OE2-CE 3.24Å; E435-K438 IonicContact OE2-NZ 3.76Å; E435-K438 PolarHBondContact OE2-NZ 3.03Å; V436-K438 PolarHBondContact O-N 3.21Å; V436-K438 VanDerWaalsContact O-N 3.16Å
439	R	98.1	Very high	96.5	Very high	6 Å²	6	57.7 Å²	57.7	2%	0.023	30%	0.301	C	S	.	.	S	Bend	trans	-74.5	138.7	-179	-164.7	-177.6	-64.4	150.6	6.5	109.6	E363 S373 G430 L431 C433 E435 V436	E363-R439 IonicContact OE1-CZ 2.96Å; E363-R439 IonicContact OE1-NH1 3.35Å; E363-R439 PolarHBondContact OE1-NH1 2.87Å; E363-R439 IonicContact OE1-NH2 3.73Å; E363-R439 IonicContact OE2-CZ 3.1Å; E363-R439 IonicContact OE2-NH1 2.61Å; E363-R439 PolarHBondContact OE2-NH1 3.22Å; E363-R439 IonicContact OE2-NH2 2.64Å; E363-R439 PolarHBondContact OE2-NH2 2.87Å; S373-R439 PolarHBondContact O-NH1 3.37Å; G430-R439 WeakPolarHBondContact O-CA 3.47Å; G430-R439 WeakPolarHBondContact O-CG 3.23Å; L431-R439 VanDerWaalsContact O-CD 3.27Å; L431-R439 WeakPolarHBondContact O-CD 3.41Å; L431-R439 VanDerWaalsContact O-CG 3.28Å; L431-R439 WeakPolarHBondContact O-CG 3.49Å; C433-R439 HydrophobicContact CB-CB 4.29Å; C433-R439 HydrophobicContact CB-CG 4.41Å; C433-R439 PolarHBondContact O-NE 3.48Å; C433-R439 PolarHBondContact O-NH2 2.78Å; C433-R439 VanDerWaalsContact O-NH2 3.13Å; E435-R439 PolarHBondContact O-N 3.44Å; V436-R439 WeakPolarHBondContact O-CB 3.21Å; V436-R439 PolarHBondContact O-N 2.88Å
440	F	98.1	Very high	96.3	Very high	45 Å²	45	53.8 Å²	53.8	20%	0.197	28%	0.283	C	S	.	.			trans	-66.7	143.2	169	-63.3	-32	0	0	0	110.4	Y376 I427 G430 L431 E449 L450 H453	Y376-F440 WeakPolarHBondContact CB-O 3.48Å; I427-F440 HydrophobicContact CD1-CD2 3.94Å; I427-F440 HydrophobicContact CD1-CE2 4.33Å; G430-F440 PolarHBondContact O-N 2.84Å; G430-F440 VanDerWaalsContact O-N 3.08Å; L431-F440 HydrophobicContact CD2-CB 4.2Å; F440-E449 WeakPolarHBondContact CD1-OE1 3.5Å; F440-E449 WeakPolarHBondContact CE1-OE1 3.38Å; F440-L450 HydrophobicContact CB-CD2 3.56Å; F440-L450 HydrophobicContact CB-CG 4.22Å; F440-L450 HydrophobicContact CD2-CD2 4.4Å; F440-L450 HydrophobicContact CG-CD2 4.3Å; F440-H453 AromaticContact CE2-CD2 3.82Å
441	G	96.9	Very high	96.2	Very high	6 Å²	6	55 Å²	55	6%	0.062	28%	0.284	C	S	.	.	S	Bend	trans	173	-151.4	-178.4	0	0	0	0	0	114.5	Y376	Y376-G441 VanDerWaalsContact CD2-CA 3.47Å
442	F	97.4	Very high	96.1	Very high	41 Å²	41	59 Å²	59	18%	0.18	32%	0.317	C	S	.	.			trans	-78.4	118.1	178	-166.4	-114.2	0	0	0	110.3	E307 H310 Q311 Y372 Y376 G445 S446	E307-F442 HydrophobicContact CG-CD2 4.21Å; E307-F442 HydrophobicContact CG-CE2 3.84Å; H310-F442 HydrophobicContact CB-CD1 3.97Å; H310-F442 HydrophobicContact CB-CD2 3.9Å; H310-F442 HydrophobicContact CB-CE1 3.99Å; H310-F442 HydrophobicContact CB-CE2 3.93Å; H310-F442 HydrophobicContact CB-CG 3.91Å; H310-F442 HydrophobicContact CB-CZ 3.96Å; Q311-F442 HydrophobicContact CG-CE2 4.1Å; Q311-F442 HydrophobicContact CG-CZ 4Å; Y372-F442 AromaticContact CD2-CD1 3.73Å; Y372-F442 HydrophobicContact CD2-CD1 3.73Å; Y372-F442 HydrophobicContact CD2-CE1 4.39Å; Y372-F442 HydrophobicContact CE2-CD1 4.06Å; Y372-F442 HydrophobicContact CE2-CE1 4.29Å; Y372-F442 HydrophobicContact CG-CD1 4.42Å; Y376-F442 HydrophobicContact CE2-CB 3.62Å; Y376-F442 VanDerWaalsContact CZ-N 3.27Å; Y376-F442 WeakPolarHBondContact OH-CB 3.3Å; F442-G445 VanDerWaalsContact CE2-O 3.3Å; F442-G445 WeakPolarHBondContact CE2-O 3.46Å; F442-G445 VanDerWaalsContact CZ-CA 3.47Å; F442-G445 WeakPolarHBondContact CZ-O 3.29Å; F442-S446 WeakPolarHBondContact CA-O 3.16Å; F442-S446 WeakPolarHBondContact CD2-O 3.46Å
443	K	93.4	Very high	96.1	Very high	81 Å²	81	59.4 Å²	59.4	35%	0.352	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-137.9	143.8	177.6	-64	-177.8	-172	163.3	0	109.2	G445 S446 E449	K443-G445 PolarHBondContact O-N 2.91Å; K443-S446 PolarHBondContact N-O 3.22Å; K443-S446 PolarHBondContact O-N 2.87Å; K443-E449 VanDerWaalsContact CD-OE2 3.31Å; K443-E449 WeakPolarHBondContact CD-OE2 3.38Å; K443-E449 VanDerWaalsContact CE-OE2 3.29Å; K443-E449 WeakPolarHBondContact CE-OE2 3.33Å; K443-E449 IonicContact NZ-OE1 3.56Å; K443-E449 PolarHBondContact NZ-OE1 2.82Å; K443-E449 IonicContact NZ-OE2 2.84Å; K443-E449 PolarHBondContact NZ-OE2 3.41Å
444	D	92.1	Very high	96.2	Very high	173 Å²	173	61.4 Å²	61.4	93%	0.925	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	29.3	176.2	-53.4	-43.6	0	0	0	115
445	G	93.3	Very high	96.2	Very high	39 Å²	39	59.1 Å²	59.1	40%	0.402	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	3.2	178.6	0	0	0	0	0	115.7	Q311 F442 K443	Q311-G445 PolarHBondContact NE2-O 3.2Å; F442-G445 VanDerWaalsContact CE2-O 3.3Å; F442-G445 WeakPolarHBondContact CE2-O 3.46Å; F442-G445 VanDerWaalsContact CZ-CA 3.47Å; F442-G445 WeakPolarHBondContact CZ-O 3.29Å; K443-G445 PolarHBondContact O-N 2.91Å
446	S	95.7	Very high	96.3	Very high	24 Å²	24	54 Å²	54	17%	0.168	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-143.6	177.8	-179.7	81.1	0	0	0	0	113.8	E307 F442 K443 D448	E307-S446 VanDerWaalsContact OE1-CA 3.25Å; E307-S446 WeakPolarHBondContact OE1-CA 3.37Å; E307-S446 WeakPolarHBondContact OE1-CB 3.42Å; F442-S446 WeakPolarHBondContact CA-O 3.16Å; F442-S446 WeakPolarHBondContact CD2-O 3.46Å; K443-S446 PolarHBondContact N-O 3.22Å; K443-S446 PolarHBondContact O-N 2.87Å; S446-D448 WeakPolarHBondContact CB-OD2 3.36Å; S446-D448 PolarHBondContact OG-N 3.02Å; S446-D448 PolarHBondContact OG-OD2 3.3Å
447	C	97.1	Very high	96.3	Very high	1 Å²	1	59 Å²	59	1%	0.007	32%	0.318	C	S	.	.			trans	-107.7	26.3	171.3	-66.4	0	0	0	0	112.7	I303 E307 Y376 E449 L450 R451	I303-C447 HydrophobicContact CG2-CB 3.8Å; E307-C447 HydrophobicContact CG-CB 4.47Å; E307-C447 PolarHBondContact OE1-N 2.92Å; Y376-C447 PolarHBondContact OH-SG 3.4Å; C447-E449 VanDerWaalsContact C-N 3.32Å; C447-E449 PolarHBondContact O-N 3.36Å; C447-L450 HydrophobicContact CB-CB 4.46Å; C447-L450 HydrophobicContact CB-CD1 4.38Å; C447-L450 WeakPolarHBondContact O-CB 3.3Å; C447-L450 PolarHBondContact O-N 3.47Å; C447-R451 WeakPolarHBondContact O-CG 3.44Å; C447-R451 PolarHBondContact O-N 2.92Å
448	D	94.4	Very high	96.3	Very high	90 Å²	90	58.5 Å²	58.5	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-35	-171.6	-67.4	-36.8	0	0	0	113.8	S446 L450 R451 A452	S446-D448 WeakPolarHBondContact CB-OD2 3.36Å; S446-D448 PolarHBondContact OG-N 3.02Å; S446-D448 PolarHBondContact OG-OD2 3.3Å; D448-L450 VanDerWaalsContact C-N 3.29Å; D448-L450 PolarHBondContact O-N 2.98Å; D448-R451 PolarHBondContact O-N 2.71Å; D448-R451 VanDerWaalsContact O-N 3.16Å; D448-R451 IonicContact OD1-CZ 3.7Å; D448-R451 IonicContact OD1-NH1 3.3Å; D448-R451 PolarHBondContact OD1-NH1 3.01Å; D448-A452 WeakPolarHBondContact O-CB 3.34Å; D448-A452 PolarHBondContact O-N 2.95Å
449	E	94.1	Very high	96.3	Very high	85 Å²	85	53.7 Å²	53.7	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-58.8	-41.9	173.4	-175.7	-174.8	-174.5	0	0	111.5	F440 K443 C447	F440-E449 WeakPolarHBondContact CD1-OE1 3.5Å; F440-E449 WeakPolarHBondContact CE1-OE1 3.38Å; K443-E449 VanDerWaalsContact CD-OE2 3.31Å; K443-E449 WeakPolarHBondContact CD-OE2 3.38Å; K443-E449 VanDerWaalsContact CE-OE2 3.29Å; K443-E449 WeakPolarHBondContact CE-OE2 3.33Å; K443-E449 IonicContact NZ-OE1 3.56Å; K443-E449 PolarHBondContact NZ-OE1 2.82Å; K443-E449 IonicContact NZ-OE2 2.84Å; K443-E449 PolarHBondContact NZ-OE2 3.41Å; C447-E449 VanDerWaalsContact C-N 3.32Å; C447-E449 PolarHBondContact O-N 3.36Å
450	L	95.8	Very high	96.1	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-42.4	175.7	-78.5	168.8	0	0	0	111.2	Y376 I427 L431 F440 C447 D448 A452 H453 F456	Y376-L450 HydrophobicContact CD1-CD1 3.6Å; Y376-L450 HydrophobicContact CE1-CD1 3.4Å; Y376-L450 VanDerWaalsContact CE1-CD1 3.4Å; I427-L450 HydrophobicContact CD1-CD2 3.82Å; L431-L450 HydrophobicContact CD2-CD2 3.89Å; F440-L450 HydrophobicContact CB-CD2 3.56Å; F440-L450 HydrophobicContact CB-CG 4.22Å; F440-L450 HydrophobicContact CD2-CD2 4.4Å; F440-L450 HydrophobicContact CG-CD2 4.3Å; C447-L450 HydrophobicContact CB-CB 4.46Å; C447-L450 HydrophobicContact CB-CD1 4.38Å; C447-L450 WeakPolarHBondContact O-CB 3.3Å; C447-L450 PolarHBondContact O-N 3.47Å; D448-L450 VanDerWaalsContact C-N 3.29Å; D448-L450 PolarHBondContact O-N 2.98Å; L450-A452 VanDerWaalsContact C-N 3.27Å; L450-A452 PolarHBondContact O-N 3.18Å; L450-H453 WeakPolarHBondContact O-CB 3.25Å; L450-H453 PolarHBondContact O-N 2.8Å; L450-F456 WeakPolarHBondContact O-CD2 3.36Å
451	R	96.3	Very high	95.9	Very high	37 Å²	37	55.2 Å²	55.2	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-34.6	179.8	-66.5	-176.1	-175.7	110.9	2.4	113.2	Q304 E307 C447 D448 H453 W461	Q304-R451 VanDerWaalsContact NE2-NH2 3.14Å; E307-R451 IonicContact OE1-CZ 3.19Å; E307-R451 IonicContact OE1-NH1 3.95Å; E307-R451 PolarHBondContact OE1-NH1 3.3Å; E307-R451 IonicContact OE1-NH2 3.45Å; E307-R451 PolarHBondContact OE1-NH2 2.97Å; E307-R451 IonicContact OE2-CZ 2.65Å; E307-R451 IonicContact OE2-NH2 2.71Å; E307-R451 PolarHBondContact OE2-NH2 3.48Å; C447-R451 WeakPolarHBondContact O-CG 3.44Å; C447-R451 PolarHBondContact O-N 2.92Å; D448-R451 PolarHBondContact O-N 2.71Å; D448-R451 VanDerWaalsContact O-N 3.16Å; D448-R451 IonicContact OD1-CZ 3.7Å; D448-R451 IonicContact OD1-NH1 3.3Å; D448-R451 PolarHBondContact OD1-NH1 3.01Å; R451-H453 VanDerWaalsContact C-N 3.28Å; R451-H453 PolarHBondContact O-N 2.83Å; R451-W461 HydrophobicContact CB-CD2 4.23Å; R451-W461 HydrophobicContact CB-CZ2 3.83Å; R451-W461 HydrophobicContact CG-CD2 3.79Å; R451-W461 HydrophobicContact CG-CE3 4.14Å; R451-W461 HydrophobicContact CG-CG 4.37Å; R451-W461 HydrophobicContact CG-CH2 3.94Å; R451-W461 HydrophobicContact CG-CZ2 3.64Å; R451-W461 HydrophobicContact CG-CZ3 4.19Å; R451-W461 PolarHBondContact O-NE1 3.35Å
452	A	96.6	Very high	95.6	Very high	84 Å²	84	56.3 Å²	56.3	69%	0.694	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.3	179.7	0	0	0	0	0	113.7	D448 L450	D448-A452 WeakPolarHBondContact O-CB 3.34Å; D448-A452 PolarHBondContact O-N 2.95Å; L450-A452 VanDerWaalsContact C-N 3.27Å; L450-A452 PolarHBondContact O-N 3.18Å
453	H	98.5	Very high	95.3	Very high	17 Å²	17	55.9 Å²	55.9	8%	0.079	30%	0.304	C	S	.	.	S	Bend	trans	-65.9	138.4	-178.6	-172.5	-84.3	0	0	0	111.3	S423 S426 I427 F440 L450 R451 F455 F456	S423-H453 PolarHBondContact O-CE1 3.24Å; S426-H453 PolarHBondContact OG-NE2 3.26Å; S426-H453 VanDerWaalsContact OG-NE2 3.07Å; I427-H453 HydrophobicContact CD1-CB 4.12Å; I427-H453 PolarHBondContact N-CE1 2.81Å; F440-H453 AromaticContact CE2-CD2 3.82Å; L450-H453 WeakPolarHBondContact O-CB 3.25Å; L450-H453 PolarHBondContact O-N 2.8Å; R451-H453 VanDerWaalsContact C-N 3.28Å; R451-H453 PolarHBondContact O-N 2.83Å; H453-F455 VanDerWaalsContact ND1-CB 3.34Å; H453-F455 WeakPolarHBondContact ND1-CB 3.34Å; H453-F455 PolarHBondContact ND1-N 2.88Å; H453-F455 VanDerWaalsContact ND1-N 3.16Å; H453-F455 PolarHBondContact O-N 2.93Å; H453-F456 HydrophobicContact CB-CD2 4.29Å; H453-F456 PolarHBondContact O-N 3.3Å
454	P	98.4	Very high	95.4	Very high	74 Å²	74	52.1 Å²	52.1	48%	0.481	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-55.5	-23.3	-176.1	-29.5	35.6	0	0	0	115.9	F456 Q457	P454-F456 PolarHBondContact O-N 2.68Å; P454-Q457 WeakPolarHBondContact O-CB 3.34Å; P454-Q457 VanDerWaalsContact O-CG 3.3Å; P454-Q457 WeakPolarHBondContact O-CG 3.44Å; P454-Q457 PolarHBondContact O-N 3.25Å
455	F	98.6	Very high	95.4	Very high	14 Å²	14	46.9 Å²	46.9	6%	0.061	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-59.8	-27.9	174	-174.8	-108.8	0	0	0	113.1	C296 L383 A424 I427 H453	C296-F455 HydrophobicContact CB-CD1 4.4Å; C296-F455 HydrophobicContact CB-CE1 3.73Å; C296-F455 HydrophobicContact CB-CE2 4.47Å; C296-F455 HydrophobicContact CB-CZ 3.76Å; C296-F455 PolarHBondContact SG-O 3.33Å; L383-F455 HydrophobicContact CD1-CE1 4.05Å; L383-F455 HydrophobicContact CD1-CZ 3.96Å; L383-F455 HydrophobicContact CD2-CD1 4.49Å; L383-F455 HydrophobicContact CD2-CE1 3.95Å; L383-F455 HydrophobicContact CD2-CZ 4.34Å; A424-F455 HydrophobicContact CB-CD2 3.98Å; A424-F455 HydrophobicContact CB-CE2 3.73Å; I427-F455 HydrophobicContact CB-CB 4.09Å; I427-F455 HydrophobicContact CB-CG 4.36Å; I427-F455 HydrophobicContact CG2-CB 3.94Å; I427-F455 HydrophobicContact CG2-CD1 3.91Å; I427-F455 HydrophobicContact CG2-CD2 4.1Å; I427-F455 HydrophobicContact CG2-CE1 4.44Å; I427-F455 HydrophobicContact CG2-CG 3.71Å; H453-F455 VanDerWaalsContact ND1-CB 3.34Å; H453-F455 WeakPolarHBondContact ND1-CB 3.34Å; H453-F455 PolarHBondContact ND1-N 2.88Å; H453-F455 VanDerWaalsContact ND1-N 3.16Å; H453-F455 PolarHBondContact O-N 2.93Å
456	F	98.4	Very high	95.2	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-104.9	14.3	179.7	-56.4	-74.2	0	0	0	113.3	C296 A299 A300 I303 I427 L450 H453 P454 D458 I459 W461	C296-F456 VanDerWaalsContact SG-CD1 3.53Å; A299-F456 HydrophobicContact CB-CE1 4.07Å; A299-F456 HydrophobicContact CB-CZ 4.32Å; A300-F456 HydrophobicContact CB-CD1 4.14Å; A300-F456 HydrophobicContact CB-CE1 4.19Å; I303-F456 HydrophobicContact CD1-CE1 4.05Å; I303-F456 HydrophobicContact CD1-CE2 3.88Å; I303-F456 HydrophobicContact CD1-CZ 3.4Å; I303-F456 VanDerWaalsContact CD1-CZ 3.4Å; I427-F456 HydrophobicContact CD1-CE2 4.1Å; I427-F456 HydrophobicContact CG1-CE2 4.22Å; L450-F456 WeakPolarHBondContact O-CD2 3.36Å; H453-F456 HydrophobicContact CB-CD2 4.29Å; H453-F456 PolarHBondContact O-N 3.3Å; P454-F456 PolarHBondContact O-N 2.68Å; F456-D458 PolarHBondContact O-N 3.44Å; F456-D458 VanDerWaalsContact O-N 3.09Å; F456-I459 HydrophobicContact CB-CB 4.43Å; F456-I459 HydrophobicContact CB-CG1 4.26Å; F456-I459 HydrophobicContact CD1-CG1 4.28Å; F456-I459 WeakPolarHBondContact O-CB 3.17Å; F456-I459 PolarHBondContact O-N 3.48Å; F456-W461 HydrophobicContact CB-CZ2 3.68Å; F456-W461 HydrophobicContact CD1-CH2 4.18Å; F456-W461 AromaticContact CD1-CZ2 3.98Å; F456-W461 HydrophobicContact CD1-CZ2 3.98Å; F456-W461 HydrophobicContact CD2-CZ2 4.25Å; F456-W461 HydrophobicContact CG-CH2 4.31Å; F456-W461 AromaticContact CG-CZ2 3.72Å; F456-W461 HydrophobicContact CG-CZ2 3.72Å
457	Q	96.8	Very high	95	Very high	146 Å²	146	45.5 Å²	45.5	68%	0.682	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.4	-173.8	69.8	-177	7.3	0	0	113.8	P454	P454-Q457 WeakPolarHBondContact O-CB 3.34Å; P454-Q457 VanDerWaalsContact O-CG 3.3Å; P454-Q457 WeakPolarHBondContact O-CG 3.44Å; P454-Q457 PolarHBondContact O-N 3.25Å
458	D	95	Very high	94.7	Very high	139 Å²	139	48.2 Å²	48.2	74%	0.743	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.6	-178.5	-59.8	-49.6	0	0	0	112.7	F456	F456-D458 PolarHBondContact O-N 3.44Å; F456-D458 VanDerWaalsContact O-N 3.09Å
459	I	97	Very high	94.6	Very high	21 Å²	21	45.3 Å²	45.3	11%	0.108	25%	0.246	C	C	.	.			trans	-87	112.9	177.9	-59.1	-60.8	0	0	0	109.8	A300 F456 W461 L464 L469	A300-I459 HydrophobicContact CB-CG1 4.32Å; A300-I459 HydrophobicContact CB-CG2 4.17Å; F456-I459 HydrophobicContact CB-CB 4.43Å; F456-I459 HydrophobicContact CB-CG1 4.26Å; F456-I459 HydrophobicContact CD1-CG1 4.28Å; F456-I459 WeakPolarHBondContact O-CB 3.17Å; F456-I459 PolarHBondContact O-N 3.48Å; I459-W461 HydrophobicContact CG2-CD2 3.9Å; I459-W461 HydrophobicContact CG2-CE3 4.17Å; I459-W461 HydrophobicContact CG2-CG 4.24Å; I459-W461 HydrophobicContact CG2-CZ2 4.37Å; I459-W461 PolarHBondContact O-N 3.29Å; I459-W461 VanDerWaalsContact O-N 3.14Å; I459-L464 HydrophobicContact CG2-CD2 4.22Å; I459-L469 HydrophobicContact CD1-CD2 4.42Å; I459-L469 HydrophobicContact CG2-CD2 4.42Å
460	N	93.4	Very high	94.6	Very high	46 Å²	46	46.1 Å²	46.1	25%	0.246	26%	0.259	C	S	.	.			trans	-77.2	97.4	163.3	-173.6	-44.9	0	0	0	109.4	D101 R462 K463 L464	D101-N460 PolarHBondContact OD2-ND2 3.29Å; N460-R462 VanDerWaalsContact C-N 3.29Å; N460-R462 PolarHBondContact O-N 2.98Å; N460-R462 PolarHBondContact OD1-N 3.47Å; N460-K463 HydrophobicContact CB-CB 4.16Å; N460-K463 HydrophobicContact CB-CD 4.28Å; N460-K463 HydrophobicContact CB-CG 4.23Å; N460-K463 PolarHBondContact O-N 2.86Å; N460-K463 PolarHBondContact OD1-N 2.95Å; N460-L464 PolarHBondContact O-N 3.19Å
461	W	93.8	Very high	94.7	Very high	38 Å²	38	47.8 Å²	47.8	14%	0.144	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-33.6	-176.3	-68.2	100.4	0	0	0	113.8	A300 I303 Q304 R451 F456 I459 L464 N465	A300-W461 HydrophobicContact CB-CH2 3.64Å; A300-W461 HydrophobicContact CB-CZ2 4.44Å; A300-W461 HydrophobicContact CB-CZ3 3.7Å; I303-W461 HydrophobicContact CD1-CH2 4.41Å; Q304-W461 HydrophobicContact CG-CE3 4.39Å; Q304-W461 HydrophobicContact CG-CZ3 4.16Å; Q304-W461 VanDerWaalsContact NE2-CZ3 3.3Å; R451-W461 HydrophobicContact CB-CD2 4.23Å; R451-W461 HydrophobicContact CB-CZ2 3.83Å; R451-W461 HydrophobicContact CG-CD2 3.79Å; R451-W461 HydrophobicContact CG-CE3 4.14Å; R451-W461 HydrophobicContact CG-CG 4.37Å; R451-W461 HydrophobicContact CG-CH2 3.94Å; R451-W461 HydrophobicContact CG-CZ2 3.64Å; R451-W461 HydrophobicContact CG-CZ3 4.19Å; R451-W461 PolarHBondContact O-NE1 3.35Å; F456-W461 HydrophobicContact CB-CZ2 3.68Å; F456-W461 HydrophobicContact CD1-CH2 4.18Å; F456-W461 AromaticContact CD1-CZ2 3.98Å; F456-W461 HydrophobicContact CD1-CZ2 3.98Å; F456-W461 HydrophobicContact CD2-CZ2 4.25Å; F456-W461 HydrophobicContact CG-CH2 4.31Å; F456-W461 AromaticContact CG-CZ2 3.72Å; F456-W461 HydrophobicContact CG-CZ2 3.72Å; I459-W461 HydrophobicContact CG2-CD2 3.9Å; I459-W461 HydrophobicContact CG2-CE3 4.17Å; I459-W461 HydrophobicContact CG2-CG 4.24Å; I459-W461 HydrophobicContact CG2-CZ2 4.37Å; I459-W461 PolarHBondContact O-N 3.29Å; I459-W461 VanDerWaalsContact O-N 3.14Å; W461-L464 HydrophobicContact CE3-CD2 3.72Å; W461-L464 HydrophobicContact CZ3-CD2 3.83Å; W461-L464 WeakPolarHBondContact O-CB 3.17Å; W461-L464 PolarHBondContact O-N 2.95Å; W461-N465 WeakPolarHBondContact O-CB 3.46Å; W461-N465 PolarHBondContact O-N 2.63Å
462	R	90.8	Very high	94.7	Very high	28 Å²	28	49.1 Å²	49.1	11%	0.106	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-48.8	175.6	-176.2	-177.5	62.4	77.5	-0	111.1	N97 A99 D101 R104 D144 N460 L464 N465 A466	N97-R462 PolarHBondContact O-NH1 3.06Å; A99-R462 PolarHBondContact O-NH1 2.91Å; A99-R462 PolarHBondContact O-NH2 3.33Å; D101-R462 IonicContact OD1-CZ 3.31Å; D101-R462 IonicContact OD1-NH2 2.69Å; D101-R462 PolarHBondContact OD1-NH2 2.75Å; R104-R462 VanDerWaalsContact NH1-NE 3.11Å; D144-R462 VanDerWaalsContact OD1-CD 3.28Å; D144-R462 WeakPolarHBondContact OD1-CD 3.48Å; D144-R462 IonicContact OD1-NE 3.86Å; D144-R462 PolarHBondContact OD1-NE 3.27Å; N460-R462 VanDerWaalsContact C-N 3.29Å; N460-R462 PolarHBondContact O-N 2.98Å; N460-R462 PolarHBondContact OD1-N 3.47Å; R462-L464 VanDerWaalsContact C-N 3.3Å; R462-L464 PolarHBondContact O-N 3.01Å; R462-N465 PolarHBondContact O-N 3.34Å; R462-A466 WeakPolarHBondContact O-CB 3.47Å; R462-A466 PolarHBondContact O-N 3.42Å
463	K	91.3	Very high	94.7	Very high	33 Å²	33	47.5 Å²	47.5	14%	0.143	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-37.1	176.2	-67.2	-171.3	-171.1	-176.4	0	112	E100 D101 N460 A466 G467 I468 L469	E100-K463 WeakPolarHBondContact OE2-CE 3.39Å; E100-K463 IonicContact OE2-NZ 2.82Å; E100-K463 PolarHBondContact OE2-NZ 3.41Å; D101-K463 WeakPolarHBondContact OD2-CE 3.3Å; D101-K463 IonicContact OD2-NZ 3.08Å; D101-K463 PolarHBondContact OD2-NZ 2.83Å; N460-K463 HydrophobicContact CB-CB 4.16Å; N460-K463 HydrophobicContact CB-CD 4.28Å; N460-K463 HydrophobicContact CB-CG 4.23Å; N460-K463 PolarHBondContact O-N 2.86Å; N460-K463 PolarHBondContact OD1-N 2.95Å; K463-A466 CarbonylContact O-C 3.52Å; K463-A466 PolarHBondContact O-N 3.16Å; K463-G467 PolarHBondContact O-N 2.72Å; K463-I468 HydrophobicContact CB-CD1 4.37Å; K463-I468 HydrophobicContact CB-CG1 3.77Å; K463-I468 HydrophobicContact CG-CD1 4.04Å; K463-I468 HydrophobicContact CG-CG1 3.95Å; K463-I468 PolarHBondContact O-N 2.75Å; K463-L469 HydrophobicContact CB-CB 3.94Å; K463-L469 HydrophobicContact CB-CD1 4.28Å; K463-L469 PolarHBondContact O-N 2.86Å
464	L	95	Very high	94.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-48.6	174.1	-169.9	80.2	0	0	0	111.1	F250 Y297 A300 Q301 Q304 I459 N460 W461 R462 A466 G467 L469	F250-L464 HydrophobicContact CZ-CG 4.42Å; Y297-L464 HydrophobicContact CD2-CD1 4.36Å; Y297-L464 HydrophobicContact CE2-CD1 4.02Å; A300-L464 HydrophobicContact CB-CD2 3.7Å; Q301-L464 HydrophobicContact CG-CD1 3.7Å; Q301-L464 HydrophobicContact CG-CD2 4.34Å; Q301-L464 HydrophobicContact CG-CG 4.21Å; Q304-L464 HydrophobicContact CG-CD2 4.16Å; I459-L464 HydrophobicContact CG2-CD2 4.22Å; N460-L464 PolarHBondContact O-N 3.19Å; W461-L464 HydrophobicContact CE3-CD2 3.72Å; W461-L464 HydrophobicContact CZ3-CD2 3.83Å; W461-L464 WeakPolarHBondContact O-CB 3.17Å; W461-L464 PolarHBondContact O-N 2.95Å; R462-L464 VanDerWaalsContact C-N 3.3Å; R462-L464 PolarHBondContact O-N 3.01Å; L464-A466 VanDerWaalsContact C-N 3.31Å; L464-A466 PolarHBondContact O-N 3.26Å; L464-G467 WeakPolarHBondContact O-CA 3.43Å; L464-G467 PolarHBondContact O-N 3.14Å; L464-L469 HydrophobicContact CB-CD2 4.19Å; L464-L469 HydrophobicContact CD1-CD2 3.76Å
465	N	92.5	Very high	94.4	Very high	64 Å²	64	47.8 Å²	47.8	34%	0.342	26%	0.262	S	S	.	.	H	α-helix	trans	-66.9	-31.7	179.8	-73.3	-9.6	0	0	0	112.8	R249 Q304 W461 R462 G467	R249-N465 WeakPolarHBondContact CD-O 3.33Å; R249-N465 PolarHBondContact NH1-O 2.54Å; Q304-N465 WeakPolarHBondContact CG-OD1 3.36Å; Q304-N465 PolarHBondContact OE1-ND2 3.35Å; Q304-N465 PolarHBondContact OE1-OD1 3.04Å; Q304-N465 VanDerWaalsContact OE1-OD1 3.07Å; W461-N465 WeakPolarHBondContact O-CB 3.46Å; W461-N465 PolarHBondContact O-N 2.63Å; R462-N465 PolarHBondContact O-N 3.34Å; N465-G467 VanDerWaalsContact C-N 3.29Å
466	A	89.4	Confident	94	Very high	9 Å²	9	50.5 Å²	50.5	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-76.2	-15.2	170.1	0	0	0	0	0	113.3	M98 R249 R462 K463 L464 I468	M98-A466 HydrophobicContact CE-CB 3.87Å; M98-A466 HydrophobicContact SD-CB 3.41Å; M98-A466 WeakPolarHBondContact SD-CB 3.32Å; R249-A466 VanDerWaalsContact CZ-C 3.42Å; R249-A466 VanDerWaalsContact CZ-O 3.31Å; R249-A466 PolarHBondContact NH1-O 2.67Å; R249-A466 PolarHBondContact NH2-O 2.61Å; R462-A466 WeakPolarHBondContact O-CB 3.47Å; R462-A466 PolarHBondContact O-N 3.42Å; K463-A466 CarbonylContact O-C 3.52Å; K463-A466 PolarHBondContact O-N 3.16Å; L464-A466 VanDerWaalsContact C-N 3.31Å; L464-A466 PolarHBondContact O-N 3.26Å; A466-I468 HydrophobicContact CB-CD1 4.05Å; A466-I468 HydrophobicContact CB-CG1 3.99Å; A466-I468 HydrophobicContact CB-CG2 4.34Å; A466-I468 PolarHBondContact O-N 2.81Å
467	G	91.6	Very high	93.3	Very high	25 Å²	25	52.3 Å²	52.3	26%	0.258	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	32.1	-176	0	0	0	0	0	113.5	R249 K463 L464 N465	R249-G467 VanDerWaalsContact NH2-CA 3.32Å; K463-G467 PolarHBondContact O-N 2.72Å; L464-G467 WeakPolarHBondContact O-CA 3.43Å; L464-G467 PolarHBondContact O-N 3.14Å; N465-G467 VanDerWaalsContact C-N 3.29Å
468	I	90.3	Very high	92.7	Very high	58 Å²	58	51.7 Å²	51.7	30%	0.297	29%	0.285	S	S	.	.			trans	-103.4	-6.6	172.7	65.1	-175.5	0	0	0	111.3	M98 K463 A466 P470	M98-I468 VanDerWaalsContact O-CD1 3.3Å; M98-I468 WeakPolarHBondContact O-CD1 3.28Å; K463-I468 HydrophobicContact CB-CD1 4.37Å; K463-I468 HydrophobicContact CB-CG1 3.77Å; K463-I468 HydrophobicContact CG-CD1 4.04Å; K463-I468 HydrophobicContact CG-CG1 3.95Å; K463-I468 PolarHBondContact O-N 2.75Å; A466-I468 HydrophobicContact CB-CD1 4.05Å; A466-I468 HydrophobicContact CB-CG1 3.99Å; A466-I468 HydrophobicContact CB-CG2 4.34Å; A466-I468 PolarHBondContact O-N 2.81Å; I468-P470 VanDerWaalsContact O-CD 3.28Å; I468-P470 WeakPolarHBondContact O-CD 3.42Å
469	L	93.1	Very high	92.4	Very high	29 Å²	29	47.7 Å²	47.7	15%	0.152	27%	0.266	C	S	.	.	S	Bend	trans	-70.2	117.8	174.3	-171.9	67.9	0	0	0	110	Y297 I459 K463 L464	Y297-L469 HydrophobicContact CD2-CD2 4.09Å; Y297-L469 HydrophobicContact CE2-CB 4.41Å; Y297-L469 HydrophobicContact CE2-CD2 3.83Å; Y297-L469 HydrophobicContact CE2-CG 4.02Å; Y297-L469 PolarHBondContact OH-O 3.02Å; I459-L469 HydrophobicContact CD1-CD2 4.42Å; I459-L469 HydrophobicContact CG2-CD2 4.42Å; K463-L469 HydrophobicContact CB-CB 3.94Å; K463-L469 HydrophobicContact CB-CD1 4.28Å; K463-L469 PolarHBondContact O-N 2.86Å; L464-L469 HydrophobicContact CB-CD2 4.19Å; L464-L469 HydrophobicContact CD1-CD2 3.76Å
470	P	94.6	Very high	92	Very high	102 Å²	102	47.6 Å²	47.6	66%	0.662	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-59.9	134.3	-176.8	-25.3	35.4	0	0	0	112.2	I468	I468-P470 VanDerWaalsContact O-CD 3.28Å; I468-P470 WeakPolarHBondContact O-CD 3.42Å
471	P	96.6	Very high	91.8	Very high	36 Å²	36	46.3 Å²	46.3	23%	0.234	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-71.7	146	177.3	35	-42.5	0	0	0	111	Y297 E329 F473 V474	Y297-P471 HydrophobicContact CE1-CB 4.04Å; E329-P471 WeakPolarHBondContact O-CG 3.44Å; P471-F473 PolarHBondContact O-N 3.18Å; P471-V474 HydrophobicContact CG-CG2 3.58Å
472	P	96.8	Very high	91.4	Very high	65 Å²	65	45.1 Å²	45.1	42%	0.422	26%	0.256	S	S	.	.	S	Bend	trans	-73.5	-15.2	173.6	27.1	-31.2	0	0	0	113	R294 Y297	R294-P472 HydrophobicContact CB-CB 4.36Å; R294-P472 HydrophobicContact CB-CG 4.06Å; R294-P472 HydrophobicContact CG-CG 4.17Å; Y297-P472 VanDerWaalsContact CD1-CD 3.48Å; Y297-P472 HydrophobicContact CD1-CG 4.15Å; Y297-P472 HydrophobicContact CG-CG 3.91Å
473	F	96.9	Very high	90.9	Very high	49 Å²	49	49.4 Å²	49.4	22%	0.215	28%	0.276	C	S	.	.			trans	-144.9	127	177.7	173.3	-89.7	0	0	0	110.4	H279 L326 G330 P471 P475	H279-F473 AromaticContact CE1-CE1 3.46Å; H279-F473 VanDerWaalsContact CE1-CE1 3.46Å; H279-F473 WeakPolarHBondContact CE1-CE1 3.27Å; H279-F473 AromaticContact CE1-CZ 3.94Å; H279-F473 AromaticContact ND1-CE1 3.72Å; L326-F473 HydrophobicContact CD2-CD1 4.03Å; L326-F473 HydrophobicContact CD2-CE1 4.02Å; G330-F473 WeakPolarHBondContact CA-O 3.33Å; P471-F473 PolarHBondContact O-N 3.18Å; F473-P475 HydrophobicContact CD1-CG 4.39Å; F473-P475 HydrophobicContact CE1-CB 4.32Å; F473-P475 HydrophobicContact CE1-CG 3.9Å
474	V	96.2	Very high	90.4	Very high	90 Å²	90	51.6 Å²	51.6	55%	0.545	29%	0.289	S	S	.	.			trans	-110.6	122.3	174.4	-178.2	0	0	0	0	108.8	P471	P471-V474 HydrophobicContact CG-CG2 3.58Å
475	P	93.3	Very high	89.5	Confident	8 Å²	8	53.4 Å²	53.4	5%	0.052	30%	0.299	C	S	.	.			trans	-60.1	140.6	175.9	-26	36.8	0	0	0	112.7	L326 D327 F473 S477 Y481	L326-P475 HydrophobicContact CD2-CG 3.39Å; L326-P475 HydrophobicContact CG-CG 3.89Å; D327-P475 WeakPolarHBondContact O-CG 3.43Å; F473-P475 HydrophobicContact CD1-CG 4.39Å; F473-P475 HydrophobicContact CE1-CB 4.32Å; F473-P475 HydrophobicContact CE1-CG 3.9Å; P475-S477 PolarHBondContact O-N 3.36Å; P475-Y481 HydrophobicContact CB-CD2 4.18Å; P475-Y481 HydrophobicContact CB-CE2 3.58Å
476	D	91	Very high	88.6	Confident	71 Å²	71	54.7 Å²	54.7	38%	0.38	31%	0.305	S	S	.	.			trans	-69.1	124.8	172.6	172.6	20.8	0	0	0	110.3	K478 T479 Y481	D476-K478 PolarHBondContact O-N 3.37Å; D476-K478 PolarHBondContact OD1-N 3.41Å; D476-T479 PolarHBondContact O-N 3.03Å; D476-T479 VanDerWaalsContact O-N 3.08Å; D476-T479 PolarHBondContact OD2-OG1 3.48Å; D476-Y481 PolarHBondContact N-OH 3.13Å
477	S	83.6	Confident	87.8	Confident	41 Å²	41	59.6 Å²	59.6	29%	0.287	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.4	179.8	62	0	0	0	0	113.6	R19 P475	R19-S477 PolarHBondContact NH1-O 3.31Å; P475-S477 PolarHBondContact O-N 3.36Å
478	K	85.4	Confident	86.5	Confident	133 Å²	133	59.7 Å²	59.7	58%	0.578	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.9	176.5	-62.4	175.8	-176.3	173.5	0	113.1	I16 F22 D476	I16-K478 WeakPolarHBondContact CD1-O 3.46Å; F22-K478 HydrophobicContact CD1-CG 4.3Å; F22-K478 HydrophobicContact CE1-CD 4.42Å; F22-K478 HydrophobicContact CE1-CG 3.98Å; D476-K478 PolarHBondContact O-N 3.37Å; D476-K478 PolarHBondContact OD1-N 3.41Å
479	T	87.6	Confident	85.1	Confident	54 Å²	54	58.8 Å²	58.8	33%	0.331	33%	0.331	S	S	.	.			trans	-94.3	146.5	-180	-63.4	0	0	0	0	109.7	R19 D476 Y481	R19-T479 PolarHBondContact NH1-O 3.12Å; D476-T479 PolarHBondContact O-N 3.03Å; D476-T479 VanDerWaalsContact O-N 3.08Å; D476-T479 PolarHBondContact OD2-OG1 3.48Å; T479-Y481 HydrophobicContact CG2-CD1 4.26Å; T479-Y481 HydrophobicContact CG2-CD2 4.15Å; T479-Y481 HydrophobicContact CG2-CE1 3.93Å; T479-Y481 HydrophobicContact CG2-CE2 3.79Å; T479-Y481 HydrophobicContact CG2-CG 4.37Å
480	V	87.9	Confident	84	Confident	19 Å²	19	62.5 Å²	62.5	12%	0.115	37%	0.366	C	S	.	.			trans	-115.8	111.7	168.4	-170.4	0	0	0	0	109.7	Y15 I16 R195 A482	Y15-V480 HydrophobicContact CD1-CG1 4.36Å; Y15-V480 HydrophobicContact CD1-CG2 3.98Å; Y15-V480 HydrophobicContact CE1-CG1 4.07Å; Y15-V480 HydrophobicContact CE1-CG2 4.26Å; I16-V480 HydrophobicContact CD1-CG2 4.26Å; I16-V480 HydrophobicContact CG1-CG2 4.19Å; R195-V480 VanDerWaalsContact CZ-CG1 3.44Å; R195-V480 VanDerWaalsContact NH1-CG2 3.26Å; V480-A482 HydrophobicContact CG1-CB 4.28Å; V480-A482 PolarHBondContact O-N 2.87Å
481	Y	89.6	Confident	82.8	Confident	20 Å²	20	61.3 Å²	61.3	8%	0.078	35%	0.35	C	S	.	.			trans	-81.5	61.3	-176.6	-62	-87.9	0	0	0	111.2	G273 G274 Y278 H279 V283 P475 D476 T479	G273-Y481 WeakPolarHBondContact O-CB 3.41Å; G274-Y481 WeakPolarHBondContact CA-O 3.42Å; Y278-Y481 HydrophobicContact CD1-CD1 4.2Å; Y278-Y481 HydrophobicContact CE1-CD1 4.01Å; H279-Y481 AromaticContact CE1-CD1 3.75Å; H279-Y481 AromaticContact CE1-CE1 3.94Å; V283-Y481 HydrophobicContact CG2-CD1 3.98Å; V283-Y481 HydrophobicContact CG2-CE1 4.03Å; P475-Y481 HydrophobicContact CB-CD2 4.18Å; P475-Y481 HydrophobicContact CB-CE2 3.58Å; D476-Y481 PolarHBondContact N-OH 3.13Å; T479-Y481 HydrophobicContact CG2-CD1 4.26Å; T479-Y481 HydrophobicContact CG2-CD2 4.15Å; T479-Y481 HydrophobicContact CG2-CE1 3.93Å; T479-Y481 HydrophobicContact CG2-CE2 3.79Å; T479-Y481 HydrophobicContact CG2-CG 4.37Å
482	A	85.4	Confident	81.7	Confident	13 Å²	13	64.3 Å²	64.3	11%	0.107	37%	0.372	C	S	.	.	S	Bend	trans	-146.2	158	176.7	0	0	0	0	0	109.8	V480	V480-A482 HydrophobicContact CG1-CB 4.28Å; V480-A482 PolarHBondContact O-N 2.87Å
483	K	81.1	Confident	80.9	Confident	117 Å²	117	66.5 Å²	66.5	51%	0.509	38%	0.384	S	S	.	.			trans	-61	150.2	174.5	-64.2	178.8	-178.1	174.2	0	111	R195 V488	R195-K483 PolarHBondContact NH2-O 2.76Å; K483-V488 HydrophobicContact CB-CG2 4.48Å
484	D	80.4	Confident	80.3	Confident	80 Å²	80	65.4 Å²	65.4	43%	0.428	38%	0.382	S	S	.	.			trans	-58.8	146.5	171.8	-60.9	-43.2	0	0	0	111.2	T8 D486 N487 V488	T8-D484 HydrophobicContact CG2-CB 4.41Å; D484-D486 PolarHBondContact O-N 2.83Å; D484-D486 VanDerWaalsContact O-N 3.15Å; D484-N487 WeakPolarHBondContact O-CA 3.47Å; D484-N487 WeakPolarHBondContact O-CB 3.46Å; D484-N487 PolarHBondContact O-N 3.06Å; D484-V488 WeakPolarHBondContact O-CG2 3.27Å; D484-V488 PolarHBondContact O-N 3.14Å
485	L	77	Confident	79.8	Confident	39 Å²	39	69.4 Å²	69.4	20%	0.204	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-57	-35.5	-174.2	-68.8	177.6	0	0	0	112.6	T8 A11 V196 N487 V488	T8-L485 PolarHBondContact OG1-N 3.21Å; A11-L485 HydrophobicContact CB-CD1 3.83Å; V196-L485 HydrophobicContact CB-CD2 3.89Å; L485-N487 VanDerWaalsContact C-N 3.29Å; L485-N487 PolarHBondContact O-N 3.4Å; L485-V488 PolarHBondContact O-N 3.08Å
486	D	72.8	Confident	79.5	Confident	90 Å²	90	73.2 Å²	73.2	48%	0.481	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-66.3	-32.8	177.5	-59.8	-38.4	0	0	0	112.2	G4 D484 V488	G4-D486 WeakPolarHBondContact CA-OD1 3.25Å; G4-D486 WeakPolarHBondContact CA-OD2 3.46Å; D484-D486 PolarHBondContact O-N 2.83Å; D484-D486 VanDerWaalsContact O-N 3.15Å; D486-V488 VanDerWaalsContact C-N 3.33Å
487	N	72	Confident	79.6	Confident	113 Å²	113	71.1 Å²	71.1	60%	0.604	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-83.8	-7.6	179.5	-69.7	-38.5	0	0	0	113.2	D484 L485 G489	D484-N487 WeakPolarHBondContact O-CA 3.47Å; D484-N487 WeakPolarHBondContact O-CB 3.46Å; D484-N487 PolarHBondContact O-N 3.06Å; L485-N487 VanDerWaalsContact C-N 3.29Å; L485-N487 PolarHBondContact O-N 3.4Å; N487-G489 PolarHBondContact O-N 2.85Å
488	V	64.9	Low	80	Confident	27 Å²	27	72.6 Å²	72.6	16%	0.164	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-77.2	-9.4	179.1	-156.4	0	0	0	0	111.6	K199 K483 D484 L485 D486	K199-V488 HydrophobicContact CB-CG1 3.66Å; K199-V488 HydrophobicContact CD-CB 4.14Å; K199-V488 HydrophobicContact CD-CG1 3.52Å; K199-V488 WeakPolarHBondContact CD-O 3.04Å; K199-V488 HydrophobicContact CG-CB 4.49Å; K199-V488 HydrophobicContact CG-CG1 3.39Å; K483-V488 HydrophobicContact CB-CG2 4.48Å; D484-V488 WeakPolarHBondContact O-CG2 3.27Å; D484-V488 PolarHBondContact O-N 3.14Å; L485-V488 PolarHBondContact O-N 3.08Å; D486-V488 VanDerWaalsContact C-N 3.33Å
489	G	61.6	Low	80.5	Confident	39 Å²	39	69.1 Å²	69.1	40%	0.402	43%	0.425	S	S	.	.			trans	77.2	141.6	173.1	0	0	0	0	0	114	K199 N487	K199-G489 WeakPolarHBondContact CD-O 3.28Å; K199-G489 PolarHBondContact NZ-O 3.44Å; N487-G489 PolarHBondContact O-N 2.85Å
490	A	68.3	Low	80.9	Confident	107 Å²	107	72 Å²	72	88%	0.884	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-82.8	143.8	178.6	0	0	0	0	0	111.6
491	F	70.9	Confident	81.2	Confident	76 Å²	76	76.1 Å²	76.1	33%	0.333	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-98.3	117.7	-173.4	-105.5	-30.3	0	0	0	108.9	K199 G200 G203 E204 R226	K199-F491 HydrophobicContact CB-CE2 3.97Å; K199-F491 HydrophobicContact CB-CZ 3.83Å; K199-F491 HydrophobicContact CD-CD2 3.86Å; K199-F491 HydrophobicContact CD-CE2 3.53Å; K199-F491 HydrophobicContact CD-CZ 4.09Å; K199-F491 HydrophobicContact CG-CD2 4.44Å; K199-F491 HydrophobicContact CG-CE2 3.64Å; K199-F491 HydrophobicContact CG-CZ 4.05Å; G200-F491 VanDerWaalsContact O-CZ 3.23Å; G200-F491 WeakPolarHBondContact O-CZ 3.04Å; G203-F491 WeakPolarHBondContact O-CE2 3.32Å; G203-F491 WeakPolarHBondContact O-CZ 3.35Å; E204-F491 HydrophobicContact CB-CE2 4.39Å; R226-F491 VanDerWaalsContact CZ-CD1 3.41Å; R226-F491 VanDerWaalsContact CZ-CG 3.47Å
492	S	73.7	Confident	81.5	Confident	99 Å²	99	79.6 Å²	79.6	69%	0.692	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-66.4	141	-179.6	62.1	0	0	0	0	111.7	R226 V494	R226-S492 PolarHBondContact NH2-O 2.92Å; S492-V494 PolarHBondContact O-N 3.24Å
493	T	79.8	Confident	82.1	Confident	111 Å²	111	79.3 Å²	79.3	68%	0.681	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-66.5	130	176.8	54.1	0	0	0	0	110.3	K495	T493-K495 PolarHBondContact O-N 2.73Å
494	V	84.2	Confident	82.8	Confident	27 Å²	27	78.9 Å²	78.9	16%	0.164	47%	0.473	C	S	.	.			trans	-80	106.3	175.4	-176.2	0	0	0	0	109.6	K225 R226 K229 S492 V497	K225-V494 HydrophobicContact CB-CB 4.01Å; K225-V494 HydrophobicContact CB-CG1 4Å; R226-V494 HydrophobicContact CB-CG2 4.49Å; R226-V494 HydrophobicContact CG-CG2 3.41Å; R226-V494 VanDerWaalsContact CG-CG2 3.41Å; K229-V494 HydrophobicContact CB-CG1 4.38Å; K229-V494 HydrophobicContact CD-CG1 3.81Å; S492-V494 PolarHBondContact O-N 3.24Å; V494-V497 HydrophobicContact CG1-CB 4.07Å; V494-V497 HydrophobicContact CG1-CG2 3.56Å
495	K	85.6	Confident	83.5	Confident	174 Å²	174	81.4 Å²	81.4	76%	0.757	48%	0.482	S	S	*	.			trans	-94.5	154.9	173	-62.3	-175.2	-179.8	-178.3	0	110.9	T493 V497	T493-K495 PolarHBondContact O-N 2.73Å; K495-V497 PolarHBondContact O-N 2.78Å
496	G	87.4	Confident	84.5	Confident	88 Å²	88	80.9 Å²	80.9	91%	0.907	48%	0.479	S	S	*	.	S	Bend	trans	74.8	17.3	172.4	0	0	0	0	0	115.8
497	V	91.4	Very high	85.7	Confident	26 Å²	26	76.8 Å²	76.8	16%	0.158	46%	0.457	C	S	.	.			trans	-117.4	112.3	177	-179.1	0	0	0	0	108.8	K225 K228 K229 V494 K495	K225-V497 HydrophobicContact CB-CB 4.48Å; K225-V497 HydrophobicContact CB-CG1 4.37Å; K225-V497 WeakPolarHBondContact CE-O 3.43Å; K225-V497 HydrophobicContact CG-CG1 4.44Å; K228-V497 HydrophobicContact CB-CG1 4.02Å; K228-V497 HydrophobicContact CD-CG1 3.8Å; K228-V497 HydrophobicContact CG-CG1 4.05Å; K229-V497 HydrophobicContact CB-CG2 4.2Å; K229-V497 HydrophobicContact CD-CG2 4.47Å; V494-V497 HydrophobicContact CG1-CB 4.07Å; V494-V497 HydrophobicContact CG1-CG2 3.56Å; K495-V497 PolarHBondContact O-N 2.78Å
498	A	93.7	Very high	86.9	Confident	72 Å²	72	76.4 Å²	76.4	60%	0.595	46%	0.455	S	S	*	.			trans	-93	144.7	169.4	0	0	0	0	0	109.5	K228	K228-A498 WeakPolarHBondContact CD-O 3.45Å; K228-A498 WeakPolarHBondContact CE-O 3.49Å; K228-A498 PolarHBondContact NZ-O 3.36Å
499	L	95.2	Very high	88.4	Confident	61 Å²	61	81.2 Å²	81.2	32%	0.319	48%	0.475	S	S	.	.			trans	-96.5	131.7	173	-60.6	173.9	0	0	0	107.8	K224 K228 D503 F507	K224-L499 HydrophobicContact CB-CD1 4.1Å; K224-L499 HydrophobicContact CD-CD1 4.48Å; K228-L499 HydrophobicContact CB-CD2 4.46Å; K228-L499 HydrophobicContact CD-CD2 4Å; L499-D503 WeakPolarHBondContact CA-OD2 3.26Å; L499-D503 HydrophobicContact CB-CB 4.43Å; L499-D503 HydrophobicContact CD2-CB 4.34Å; L499-F507 HydrophobicContact CD1-CE2 4.03Å; L499-F507 HydrophobicContact CD1-CZ 4.43Å; L499-F507 HydrophobicContact CD2-CE2 4.3Å; L499-F507 HydrophobicContact CD2-CZ 4.07Å
500	E	95.3	Very high	90.2	Very high	114 Å²	114	79.3 Å²	79.3	53%	0.533	46%	0.456	S	S	.	.			trans	-104.8	175.5	-178.5	-68.9	155.8	-125.9	0	0	109.8	K228 V502 D503 K504	K228-E500 IonicContact NZ-OE1 2.78Å; K228-E500 PolarHBondContact NZ-OE1 3.02Å; E500-V502 HydrophobicContact CB-CG1 4.35Å; E500-V502 PolarHBondContact O-N 3.46Å; E500-D503 PolarHBondContact N-OD2 3.21Å; E500-D503 WeakPolarHBondContact O-CB 3.46Å; E500-D503 PolarHBondContact O-N 2.87Å; E500-D503 VanDerWaalsContact O-N 3.12Å; E500-K504 PolarHBondContact O-N 3.36Å
501	D	95.7	Very high	91.5	Very high	105 Å²	105	75.6 Å²	75.6	56%	0.561	43%	0.425	S	S	*	.	H	α-helix	trans	-66.8	-35.9	-175.9	-65.4	-34.7	0	0	0	112.8	D503 K504 E505	D501-D503 PolarHBondContact O-N 3.07Å; D501-K504 WeakPolarHBondContact O-CA 3.45Å; D501-K504 WeakPolarHBondContact O-CB 3.34Å; D501-K504 PolarHBondContact O-N 2.96Å; D501-K504 IonicContact OD1-NZ 3.71Å; D501-K504 PolarHBondContact OD1-NZ 3.04Å; D501-E505 PolarHBondContact O-N 3.01Å
502	V	95.1	Very high	92.7	Very high	93 Å²	93	75.6 Å²	75.6	56%	0.564	43%	0.431	S	S	*	.	H	α-helix	trans	-59.5	-30.8	172.3	68.1	0	0	0	0	112.8	E500 K504 F506	E500-V502 HydrophobicContact CB-CG1 4.35Å; E500-V502 PolarHBondContact O-N 3.46Å; V502-K504 VanDerWaalsContact C-N 3.34Å; V502-F506 PolarHBondContact O-N 3.36Å
503	D	97.2	Very high	93.8	Very high	7 Å²	7	71.6 Å²	71.6	4%	0.037	41%	0.406	C	S	.	.	H	α-helix	trans	-69.8	-36.3	174.7	-60.8	-66.3	0	0	0	110.6	K228 Y233 L499 E500 D501 F506 F507	K228-D503 WeakPolarHBondContact CD-OD1 3.04Å; K228-D503 WeakPolarHBondContact CD-OD2 3.49Å; K228-D503 WeakPolarHBondContact CE-OD2 3.45Å; K228-D503 IonicContact NZ-OD1 3.85Å; K228-D503 IonicContact NZ-OD2 2.71Å; K228-D503 PolarHBondContact NZ-OD2 2.88Å; Y233-D503 WeakPolarHBondContact CE2-OD1 3.29Å; Y233-D503 VanDerWaalsContact CZ-OD1 3.3Å; Y233-D503 PolarHBondContact OH-OD1 2.73Å; L499-D503 WeakPolarHBondContact CA-OD2 3.26Å; L499-D503 HydrophobicContact CB-CB 4.43Å; L499-D503 HydrophobicContact CD2-CB 4.34Å; E500-D503 PolarHBondContact N-OD2 3.21Å; E500-D503 WeakPolarHBondContact O-CB 3.46Å; E500-D503 PolarHBondContact O-N 2.87Å; E500-D503 VanDerWaalsContact O-N 3.12Å; D501-D503 PolarHBondContact O-N 3.07Å; D503-F506 PolarHBondContact O-N 3.21Å; D503-F507 HydrophobicContact CB-CE2 3.79Å; D503-F507 HydrophobicContact CB-CZ 3.8Å; D503-F507 VanDerWaalsContact O-CD1 3.32Å; D503-F507 WeakPolarHBondContact O-CD1 3.36Å; D503-F507 WeakPolarHBondContact O-CD2 3.43Å; D503-F507 VanDerWaalsContact O-CE2 3.27Å; D503-F507 WeakPolarHBondContact O-CE2 3.44Å; D503-F507 WeakPolarHBondContact O-CG 3.34Å; D503-F507 PolarHBondContact O-N 3.28Å
504	K	95.9	Very high	94.7	Very high	108 Å²	108	67 Å²	67	47%	0.47	38%	0.377	S	S	.	.	H	α-helix	trans	-68.6	-43.3	179.4	-61.1	174.8	-170.4	156.9	0	111.5	E500 D501 V502 F506 F507 D508	E500-K504 PolarHBondContact O-N 3.36Å; D501-K504 WeakPolarHBondContact O-CA 3.45Å; D501-K504 WeakPolarHBondContact O-CB 3.34Å; D501-K504 PolarHBondContact O-N 2.96Å; D501-K504 IonicContact OD1-NZ 3.71Å; D501-K504 PolarHBondContact OD1-NZ 3.04Å; V502-K504 VanDerWaalsContact C-N 3.34Å; K504-F506 VanDerWaalsContact C-N 3.28Å; K504-F506 PolarHBondContact O-N 3.44Å; K504-F507 WeakPolarHBondContact O-CA 3.39Å; K504-F507 WeakPolarHBondContact O-CB 3.45Å; K504-F507 PolarHBondContact O-N 3.05Å; K504-D508 VanDerWaalsContact O-CG 3.31Å; K504-D508 PolarHBondContact O-N 3.03Å
505	E	96.7	Very high	95.4	Very high	133 Å²	133	66.3 Å²	66.3	62%	0.621	37%	0.373	S	S	*	.	H	α-helix	trans	-55.3	-45.8	174.9	-69.5	174.1	-177.8	0	0	111.1	D501 F507 D508 E509	D501-E505 PolarHBondContact O-N 3.01Å; E505-F507 PolarHBondContact O-N 2.87Å; E505-D508 PolarHBondContact O-N 2.93Å; E505-E509 PolarHBondContact O-N 3.06Å
506	F	97.7	Very high	95.9	Very high	29 Å²	29	60.4 Å²	60.4	13%	0.127	35%	0.352	C	S	.	.	H	α-helix	trans	-60.7	-41.4	173.8	172.2	-96.2	0	0	0	112.8	Y233 M237 L264 V502 D503 K504 D508 E509 F510	Y233-F506 AromaticContact CD1-CD1 3.92Å; Y233-F506 HydrophobicContact CD1-CD1 3.92Å; Y233-F506 AromaticContact CD1-CE1 3.55Å; Y233-F506 HydrophobicContact CD1-CE1 3.55Å; Y233-F506 HydrophobicContact CD1-CZ 4.14Å; Y233-F506 HydrophobicContact CD2-CD1 4.06Å; Y233-F506 HydrophobicContact CD2-CE1 4.34Å; Y233-F506 HydrophobicContact CD2-CG 4.23Å; Y233-F506 HydrophobicContact CE1-CD1 4.24Å; Y233-F506 HydrophobicContact CE1-CE1 4.2Å; Y233-F506 HydrophobicContact CE2-CD1 4.35Å; Y233-F506 AromaticContact CG-CD1 3.85Å; Y233-F506 HydrophobicContact CG-CD1 3.85Å; Y233-F506 AromaticContact CG-CE1 3.66Å; Y233-F506 HydrophobicContact CG-CE1 3.66Å; Y233-F506 HydrophobicContact CG-CE2 4.33Å; Y233-F506 HydrophobicContact CG-CG 4.3Å; Y233-F506 AromaticContact CG-CZ 3.94Å; Y233-F506 HydrophobicContact CG-CZ 3.94Å; Y233-F506 VanDerWaalsContact O-CZ 3.26Å; Y233-F506 WeakPolarHBondContact O-CZ 3.25Å; M237-F506 HydrophobicContact CB-CE2 3.92Å; M237-F506 HydrophobicContact CB-CZ 4.25Å; M237-F506 HydrophobicContact CE-CD2 4.08Å; M237-F506 HydrophobicContact CE-CE2 3.71Å; M237-F506 HydrophobicContact CE-CZ 4.32Å; L264-F506 HydrophobicContact CD1-CE1 3.8Å; V502-F506 PolarHBondContact O-N 3.36Å; D503-F506 PolarHBondContact O-N 3.21Å; K504-F506 VanDerWaalsContact C-N 3.28Å; K504-F506 PolarHBondContact O-N 3.44Å; F506-D508 VanDerWaalsContact C-N 3.34Å; F506-E509 PolarHBondContact O-N 3.48Å; F506-F510 WeakPolarHBondContact O-CB 3.24Å; F506-F510 PolarHBondContact O-N 3.15Å
507	F	98	Very high	96.5	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-35.8	178.5	-55.3	-32.1	0	0	0	112.6	K224 Y233 Q259 L264 L499 D503 K504 E505 F510 A511	K224-F507 HydrophobicContact CB-CE1 4.23Å; K224-F507 HydrophobicContact CB-CE2 4.3Å; K224-F507 HydrophobicContact CB-CZ 3.8Å; K224-F507 HydrophobicContact CD-CD1 4.39Å; K224-F507 HydrophobicContact CD-CD2 3.81Å; K224-F507 HydrophobicContact CD-CE1 4.26Å; K224-F507 HydrophobicContact CD-CE2 3.67Å; K224-F507 HydrophobicContact CD-CG 4.2Å; K224-F507 HydrophobicContact CD-CZ 3.91Å; K224-F507 HydrophobicContact CG-CD1 4.27Å; K224-F507 HydrophobicContact CG-CD2 4.46Å; K224-F507 HydrophobicContact CG-CE1 3.86Å; K224-F507 HydrophobicContact CG-CE2 4.07Å; K224-F507 HydrophobicContact CG-CZ 3.75Å; Y233-F507 AromaticContact CE1-CE1 3.83Å; Y233-F507 HydrophobicContact CE1-CE1 3.83Å; Y233-F507 HydrophobicContact CE1-CZ 4.33Å; Y233-F507 AromaticContact CZ-CE1 3.93Å; Y233-F507 WeakPolarHBondContact OH-CZ 3.37Å; Q259-F507 PolarHBondContact NE2-O 3.46Å; Q259-F507 VanDerWaalsContact OE1-CB 3.25Å; L264-F507 HydrophobicContact CD1-CD1 3.91Å; L264-F507 HydrophobicContact CD1-CE1 4.34Å; L264-F507 HydrophobicContact CD2-CB 3.92Å; L264-F507 HydrophobicContact CD2-CD1 3.73Å; L264-F507 HydrophobicContact CD2-CG 4.05Å; L264-F507 HydrophobicContact CG-CD1 4.12Å; L499-F507 HydrophobicContact CD1-CE2 4.03Å; L499-F507 HydrophobicContact CD1-CZ 4.43Å; L499-F507 HydrophobicContact CD2-CE2 4.3Å; L499-F507 HydrophobicContact CD2-CZ 4.07Å; D503-F507 HydrophobicContact CB-CE2 3.79Å; D503-F507 HydrophobicContact CB-CZ 3.8Å; D503-F507 VanDerWaalsContact O-CD1 3.32Å; D503-F507 WeakPolarHBondContact O-CD1 3.36Å; D503-F507 WeakPolarHBondContact O-CD2 3.43Å; D503-F507 VanDerWaalsContact O-CE2 3.27Å; D503-F507 WeakPolarHBondContact O-CE2 3.44Å; D503-F507 WeakPolarHBondContact O-CG 3.34Å; D503-F507 PolarHBondContact O-N 3.28Å; K504-F507 WeakPolarHBondContact O-CA 3.39Å; K504-F507 WeakPolarHBondContact O-CB 3.45Å; K504-F507 PolarHBondContact O-N 3.05Å; E505-F507 PolarHBondContact O-N 2.87Å; F507-F510 PolarHBondContact O-N 3.44Å; F507-A511 WeakPolarHBondContact O-CB 3.48Å; F507-A511 PolarHBondContact O-N 3.35Å; F507-A511 VanDerWaalsContact O-N 3.16Å
508	D	96.7	Very high	96.8	Very high	105 Å²	105	57.1 Å²	57.1	56%	0.561	31%	0.313	S	S	*	.	H	α-helix	trans	-68.9	-42.4	176.5	-66.3	-18.5	0	0	0	110.7	Q259 K504 E505 F506 F510 A511	Q259-D508 PolarHBondContact NE2-OD1 3.35Å; K504-D508 VanDerWaalsContact O-CG 3.31Å; K504-D508 PolarHBondContact O-N 3.03Å; E505-D508 PolarHBondContact O-N 2.93Å; F506-D508 VanDerWaalsContact C-N 3.34Å; D508-F510 VanDerWaalsContact C-N 3.32Å; D508-F510 PolarHBondContact O-N 3.34Å; D508-A511 PolarHBondContact O-N 3.22Å
509	E	97.1	Very high	97	Very high	127 Å²	127	53.9 Å²	53.9	59%	0.593	29%	0.285	S	S	*	.	H	α-helix	trans	-62	-38.7	173.8	-171.7	-172.3	168.5	0	0	112.3	M237 E505 F506 A511 T512	M237-E509 HydrophobicContact CE-CB 4.09Å; M237-E509 HydrophobicContact CE-CG 3.85Å; E505-E509 PolarHBondContact O-N 3.06Å; F506-E509 PolarHBondContact O-N 3.48Å; E509-A511 VanDerWaalsContact C-N 3.35Å; E509-T512 WeakPolarHBondContact O-CG2 3.15Å
510	F	97.9	Very high	97.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-39.7	177.9	-178.9	-82.4	0	0	0	112.1	A236 M237 K240 A257 L264 L266 F506 F507 D508 T512	A236-F510 HydrophobicContact CB-CE2 4.28Å; M237-F510 HydrophobicContact CE-CB 4.01Å; K240-F510 HydrophobicContact CB-CD2 4.2Å; K240-F510 HydrophobicContact CB-CE2 3.77Å; K240-F510 HydrophobicContact CB-CZ 4.27Å; K240-F510 HydrophobicContact CG-CD2 4.37Å; K240-F510 HydrophobicContact CG-CE2 4.15Å; K240-F510 HydrophobicContact CG-CZ 4.36Å; A257-F510 HydrophobicContact CB-CE1 4.46Å; L264-F510 HydrophobicContact CB-CD1 3.94Å; L264-F510 HydrophobicContact CB-CE1 3.62Å; L264-F510 HydrophobicContact CB-CZ 3.91Å; L264-F510 HydrophobicContact CD1-CB 4.39Å; L264-F510 HydrophobicContact CD1-CD1 4.13Å; L264-F510 HydrophobicContact CD1-CD2 4Å; L264-F510 HydrophobicContact CD1-CE1 4.41Å; L264-F510 HydrophobicContact CD1-CE2 4.24Å; L264-F510 HydrophobicContact CD1-CG 3.91Å; L264-F510 HydrophobicContact CD1-CZ 4.42Å; L264-F510 HydrophobicContact CD2-CD1 3.95Å; L264-F510 HydrophobicContact CD2-CE1 4.49Å; L264-F510 HydrophobicContact CD2-CG 4.31Å; L264-F510 HydrophobicContact CG-CD1 4.22Å; L264-F510 HydrophobicContact CG-CE1 4.39Å; L264-F510 HydrophobicContact CG-CG 4.48Å; L266-F510 HydrophobicContact CD1-CZ 4.26Å; L266-F510 HydrophobicContact CD2-CE1 3.89Å; L266-F510 HydrophobicContact CD2-CE2 4.24Å; L266-F510 HydrophobicContact CD2-CZ 3.4Å; L266-F510 VanDerWaalsContact CD2-CZ 3.4Å; L266-F510 HydrophobicContact CG-CE1 4.39Å; L266-F510 HydrophobicContact CG-CZ 3.72Å; F506-F510 WeakPolarHBondContact O-CB 3.24Å; F506-F510 PolarHBondContact O-N 3.15Å; F507-F510 PolarHBondContact O-N 3.44Å; D508-F510 VanDerWaalsContact C-N 3.32Å; D508-F510 PolarHBondContact O-N 3.34Å; F510-T512 VanDerWaalsContact C-N 3.3Å; F510-T512 PolarHBondContact O-N 3.4Å
511	A	97.3	Very high	97.3	Very high	29 Å²	29	48 Å²	48	24%	0.24	26%	0.256	C	S	.	.			trans	-83.3	61.8	-169.8	0	0	0	0	0	113.1	A257 Q259 F507 D508 E509 G513	A257-A511 CarbonylContact O-C 3.46Å; A257-A511 VanDerWaalsContact O-C 3.31Å; A257-A511 WeakPolarHBondContact O-CA 3.48Å; Q259-A511 HydrophobicContact CB-CB 4.26Å; Q259-A511 HydrophobicContact CG-CB 3.93Å; F507-A511 WeakPolarHBondContact O-CB 3.48Å; F507-A511 PolarHBondContact O-N 3.35Å; F507-A511 VanDerWaalsContact O-N 3.16Å; D508-A511 PolarHBondContact O-N 3.22Å; E509-A511 VanDerWaalsContact C-N 3.35Å; A511-G513 PolarHBondContact O-N 2.85Å
512	T	96.1	Very high	97.4	Very high	75 Å²	75	43 Å²	43	46%	0.46	23%	0.229	S	C	.	.			trans	-75	1.1	-177.1	60.9	0	0	0	0	115.2	K240 A257 E509 F510	K240-T512 WeakPolarHBondContact CE-OG1 3.44Å; K240-T512 PolarHBondContact NZ-OG1 2.97Å; A257-T512 PolarHBondContact O-N 3.32Å; E509-T512 WeakPolarHBondContact O-CG2 3.15Å; F510-T512 VanDerWaalsContact C-N 3.3Å; F510-T512 PolarHBondContact O-N 3.4Å
513	G	96.4	Very high	97.5	Very high	15 Å²	15	38.5 Å²	38.5	16%	0.155	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.6	-130.7	178.8	0	0	0	0	0	112.6	Y256 A257 A511	Y256-G513 CarbonylContact C-O 3.25Å; Y256-G513 WeakPolarHBondContact CA-O 3.49Å; A257-G513 PolarHBondContact N-O 2.82Å; A257-G513 WeakPolarHBondContact O-CA 3.5Å; A257-G513 PolarHBondContact O-N 3.46Å; A511-G513 PolarHBondContact O-N 2.85Å
514	N	97.9	Very high	97.5	Very high	16 Å²	16	41 Å²	41	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.4	-171.7	-51.8	-37.5	0	0	0	110.7	E182 Q184 V186 Y256 W519	E182-N514 HydrophobicContact CG-CB 4.41Å; E182-N514 WeakPolarHBondContact O-CB 3.28Å; E182-N514 PolarHBondContact O-ND2 3.45Å; Q184-N514 PolarHBondContact O-ND2 3.42Å; V186-N514 VanDerWaalsContact CB-OD1 3.32Å; V186-N514 WeakPolarHBondContact CB-OD1 3.36Å; V186-N514 VanDerWaalsContact CG2-OD1 3.25Å; V186-N514 WeakPolarHBondContact CG2-OD1 3.45Å; Y256-N514 HydrophobicContact CD1-CB 4.45Å; Y256-N514 WeakPolarHBondContact CD1-OD1 3.11Å; Y256-N514 HydrophobicContact CE1-CB 4.47Å; Y256-N514 WeakPolarHBondContact CE1-OD1 3.34Å; N514-W519 HydrophobicContact CB-CB 4.44Å; N514-W519 HydrophobicContact CB-CG 4.2Å
515	I	98.2	Very high	97.4	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.062	22%	0.219	C	C	.	.			trans	-90.1	124.7	173.5	-53.4	-52.9	0	0	0	108.5	A244 L254 A255 I517 P518 W519	A244-I515 HydrophobicContact CB-CD1 3.95Å; L254-I515 HydrophobicContact CB-CG1 4.4Å; L254-I515 HydrophobicContact CD2-CD1 4.1Å; L254-I515 HydrophobicContact CD2-CG1 3.98Å; L254-I515 HydrophobicContact CG-CD1 4.5Å; L254-I515 HydrophobicContact CG-CG1 3.84Å; L254-I515 WeakPolarHBondContact O-CB 3.46Å; L254-I515 VanDerWaalsContact O-CG1 3.3Å; L254-I515 WeakPolarHBondContact O-CG1 3.32Å; L254-I515 WeakPolarHBondContact O-CG2 3.38Å; A255-I515 PolarHBondContact O-N 3.14Å; I515-I517 PolarHBondContact O-N 3.24Å; I515-P518 HydrophobicContact CG2-CG 4.4Å; I515-P518 WeakPolarHBondContact O-CD 3.16Å; I515-W519 WeakPolarHBondContact O-CB 3.46Å; I515-W519 PolarHBondContact O-N 3.38Å; I515-W519 VanDerWaalsContact O-N 3.1Å
516	P	97.9	Very high	97.2	Very high	50 Å²	50	35.5 Å²	35.5	33%	0.325	19%	0.192	S	C	.	.	H	α-helix	trans	-56	-56.1	-164.3	-29.3	34.3	0	0	0	115.6	E182 W519 Q520	E182-P516 WeakPolarHBondContact OE1-CB 3.47Å; E182-P516 WeakPolarHBondContact OE1-CG 3.21Å; E182-P516 WeakPolarHBondContact OE2-CA 3.44Å; P516-W519 PolarHBondContact O-N 3.01Å; P516-Q520 WeakPolarHBondContact O-CB 3.46Å; P516-Q520 VanDerWaalsContact O-CG 3.25Å; P516-Q520 WeakPolarHBondContact O-CG 3.4Å; P516-Q520 PolarHBondContact O-N 2.74Å
517	I	98.3	Very high	97.1	Very high	34 Å²	34	35.5 Å²	35.5	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-55.4	-173.4	-62.5	170.8	0	0	0	110.7	E65 P67 I515 W519 Q520 E521	E65-I517 HydrophobicContact CB-CD1 4.37Å; P67-I517 HydrophobicContact CG-CG2 4.12Å; I515-I517 PolarHBondContact O-N 3.24Å; I517-W519 VanDerWaalsContact C-N 3.29Å; I517-W519 PolarHBondContact O-N 3.48Å; I517-Q520 PolarHBondContact O-N 2.76Å; I517-Q520 VanDerWaalsContact O-N 3.11Å; I517-E521 HydrophobicContact CG2-CG 4.48Å; I517-E521 WeakPolarHBondContact O-CG 3.49Å; I517-E521 PolarHBondContact O-N 3.11Å
518	P	98.3	Very high	97	Very high	10 Å²	10	35.3 Å²	35.3	7%	0.065	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-27.2	-177.4	-24.2	39.3	0	0	0	114.1	L254 A255 I515 E522	L254-P518 WeakPolarHBondContact O-CG 3.3Å; A255-P518 HydrophobicContact CB-CB 3.96Å; I515-P518 HydrophobicContact CG2-CG 4.4Å; I515-P518 WeakPolarHBondContact O-CD 3.16Å; P518-E522 WeakPolarHBondContact O-CB 3.49Å; P518-E522 PolarHBondContact O-N 3.31Å
519	W	98.4	Very high	97	Very high	4 Å²	4	31 Å²	31	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-42.4	172.8	-176.7	91.5	0	0	0	111.5	I68 W178 L181 E182 Y256 N514 I515 P516 I517 E522 M523	I68-W519 HydrophobicContact CD1-CZ3 4.35Å; W178-W519 AromaticContact CE3-CH2 3.91Å; W178-W519 HydrophobicContact CE3-CH2 3.91Å; W178-W519 HydrophobicContact CE3-CZ3 4.08Å; W178-W519 HydrophobicContact CZ3-CH2 4.17Å; L181-W519 HydrophobicContact CB-CH2 4.16Å; L181-W519 HydrophobicContact CD2-CH2 4.14Å; L181-W519 HydrophobicContact CD2-CZ2 4.38Å; L181-W519 HydrophobicContact CG-CH2 3.92Å; L181-W519 HydrophobicContact CG-CZ2 3.98Å; E182-W519 HydrophobicContact CB-CD2 4.11Å; E182-W519 HydrophobicContact CB-CE3 3.7Å; E182-W519 HydrophobicContact CB-CH2 4Å; E182-W519 HydrophobicContact CB-CZ2 4.38Å; E182-W519 HydrophobicContact CB-CZ3 3.64Å; E182-W519 HydrophobicContact CG-CD2 3.8Å; E182-W519 HydrophobicContact CG-CE3 3.58Å; E182-W519 HydrophobicContact CG-CG 4.21Å; E182-W519 HydrophobicContact CG-CZ3 4.08Å; Y256-W519 AromaticContact CE1-CD1 3.82Å; Y256-W519 AromaticContact CZ-CD1 3.89Å; N514-W519 HydrophobicContact CB-CB 4.44Å; N514-W519 HydrophobicContact CB-CG 4.2Å; I515-W519 WeakPolarHBondContact O-CB 3.46Å; I515-W519 PolarHBondContact O-N 3.38Å; I515-W519 VanDerWaalsContact O-N 3.1Å; P516-W519 PolarHBondContact O-N 3.01Å; I517-W519 VanDerWaalsContact C-N 3.29Å; I517-W519 PolarHBondContact O-N 3.48Å; W519-E522 WeakPolarHBondContact O-CB 3.41Å; W519-E522 PolarHBondContact O-N 3.13Å; W519-M523 HydrophobicContact CD2-CE 4.28Å; W519-M523 HydrophobicContact CD2-CG 4.11Å; W519-M523 HydrophobicContact CE3-CG 3.89Å; W519-M523 HydrophobicContact CH2-CG 3.66Å; W519-M523 HydrophobicContact CH2-SD 4.08Å; W519-M523 HydrophobicContact CZ2-CE 4Å; W519-M523 HydrophobicContact CZ2-CG 3.88Å; W519-M523 HydrophobicContact CZ2-SD 3.81Å; W519-M523 HydrophobicContact CZ3-CG 3.66Å; W519-M523 WeakPolarHBondContact O-CG 3.4Å; W519-M523 PolarHBondContact O-N 2.6Å
520	Q	98.7	Very high	96.9	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-40.6	176.4	-71.7	-179	31.5	0	0	112	P67 I68 E182 P516 I517 E522 M523 L524	P67-Q520 HydrophobicContact CB-CB 4.2Å; P67-Q520 HydrophobicContact CG-CB 4.17Å; I68-Q520 HydrophobicContact CB-CB 4.4Å; I68-Q520 HydrophobicContact CB-CG 4.16Å; I68-Q520 HydrophobicContact CD1-CB 4.07Å; I68-Q520 HydrophobicContact CD1-CG 3.87Å; I68-Q520 HydrophobicContact CG1-CB 3.92Å; I68-Q520 HydrophobicContact CG1-CG 4.02Å; E182-Q520 PolarHBondContact OE2-NE2 3.32Å; P516-Q520 WeakPolarHBondContact O-CB 3.46Å; P516-Q520 VanDerWaalsContact O-CG 3.25Å; P516-Q520 WeakPolarHBondContact O-CG 3.4Å; P516-Q520 PolarHBondContact O-N 2.74Å; I517-Q520 PolarHBondContact O-N 2.76Å; I517-Q520 VanDerWaalsContact O-N 3.11Å; Q520-E522 VanDerWaalsContact C-N 3.33Å; Q520-E522 PolarHBondContact O-N 3.41Å; Q520-M523 PolarHBondContact O-N 2.96Å; Q520-L524 WeakPolarHBondContact O-CG 3.48Å; Q520-L524 PolarHBondContact O-N 3.03Å
521	E	97.9	Very high	96.8	Very high	49 Å²	49	31.5 Å²	31.5	23%	0.229	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-45.8	171.4	-67	179.2	144.7	0	0	111.1	P67 H247 I517 M523 L524 E525	P67-E521 HydrophobicContact CG-CG 3.77Å; H247-E521 IonicContact CE1-OE1 3.96Å; H247-E521 PolarHBondContact CE1-OE1 2.78Å; H247-E521 IonicContact CE1-OE2 2.75Å; H247-E521 IonicContact NE2-OE1 3.81Å; H247-E521 PolarHBondContact NE2-OE1 3.11Å; I517-E521 HydrophobicContact CG2-CG 4.48Å; I517-E521 WeakPolarHBondContact O-CG 3.49Å; I517-E521 PolarHBondContact O-N 3.11Å; E521-M523 PolarHBondContact O-N 3.2Å; E521-L524 PolarHBondContact O-N 3.2Å; E521-L524 VanDerWaalsContact O-N 3.16Å; E521-E525 WeakPolarHBondContact O-CB 3.34Å; E521-E525 VanDerWaalsContact O-CG 3.26Å; E521-E525 WeakPolarHBondContact O-CG 3.32Å; E521-E525 PolarHBondContact O-N 2.72Å
522	E	97.3	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-45.3	175	174.6	177.2	179.9	0	0	112.5	M210 T213 K215 Y217 Y256 P518 W519 Q520 L524 T526	M210-E522 WeakPolarHBondContact CB-OE1 3.42Å; M210-E522 WeakPolarHBondContact CG-OE1 3.4Å; T213-E522 VanDerWaalsContact CB-OE1 3.25Å; T213-E522 WeakPolarHBondContact CB-OE1 3.47Å; T213-E522 HydrophobicContact CG2-CG 4.06Å; T213-E522 WeakPolarHBondContact CG2-OE1 3.42Å; T213-E522 PolarHBondContact OG1-OE1 2.84Å; K215-E522 HydrophobicContact CB-CG 4.05Å; K215-E522 HydrophobicContact CD-CB 3.77Å; K215-E522 HydrophobicContact CD-CG 3.57Å; K215-E522 HydrophobicContact CG-CG 4.43Å; Y217-E522 WeakPolarHBondContact CE2-OE2 3.47Å; Y217-E522 PolarHBondContact OH-OE2 3.39Å; Y256-E522 WeakPolarHBondContact CE2-OE2 3.16Å; Y256-E522 VanDerWaalsContact OH-CD 3.28Å; Y256-E522 PolarHBondContact OH-OE1 3.49Å; Y256-E522 PolarHBondContact OH-OE2 2.69Å; P518-E522 WeakPolarHBondContact O-CB 3.49Å; P518-E522 PolarHBondContact O-N 3.31Å; W519-E522 WeakPolarHBondContact O-CB 3.41Å; W519-E522 PolarHBondContact O-N 3.13Å; Q520-E522 VanDerWaalsContact C-N 3.33Å; Q520-E522 PolarHBondContact O-N 3.41Å; E522-L524 VanDerWaalsContact C-N 3.27Å; E522-L524 PolarHBondContact O-N 3.16Å; E522-T526 HydrophobicContact CG-CG2 4.25Å; E522-T526 VanDerWaalsContact O-CB 3.31Å; E522-T526 WeakPolarHBondContact O-CB 3.44Å; E522-T526 VanDerWaalsContact O-CG2 3.31Å; E522-T526 WeakPolarHBondContact O-CG2 3.32Å; E522-T526 PolarHBondContact O-N 3.02Å; E522-T526 PolarHBondContact O-OG1 2.79Å
523	M	97.9	Very high	96.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-37.2	177.9	-65.1	-54.7	109.8	0	0	112	I68 W178 T213 W519 Q520 E521 G527 I528 Y529	I68-M523 HydrophobicContact CD1-CB 4.13Å; I68-M523 HydrophobicContact CD1-CG 4.5Å; W178-M523 HydrophobicContact CZ3-CB 4.18Å; W178-M523 HydrophobicContact CZ3-CG 3.94Å; W178-M523 HydrophobicContact CZ3-SD 4.36Å; T213-M523 HydrophobicContact CG2-CE 3.55Å; T213-M523 HydrophobicContact CG2-SD 4.49Å; W519-M523 HydrophobicContact CD2-CE 4.28Å; W519-M523 HydrophobicContact CD2-CG 4.11Å; W519-M523 HydrophobicContact CE3-CG 3.89Å; W519-M523 HydrophobicContact CH2-CG 3.66Å; W519-M523 HydrophobicContact CH2-SD 4.08Å; W519-M523 HydrophobicContact CZ2-CE 4Å; W519-M523 HydrophobicContact CZ2-CG 3.88Å; W519-M523 HydrophobicContact CZ2-SD 3.81Å; W519-M523 HydrophobicContact CZ3-CG 3.66Å; W519-M523 WeakPolarHBondContact O-CG 3.4Å; W519-M523 PolarHBondContact O-N 2.6Å; Q520-M523 PolarHBondContact O-N 2.96Å; E521-M523 PolarHBondContact O-N 3.2Å; M523-G527 PolarHBondContact O-N 2.97Å; M523-I528 PolarHBondContact O-N 3.47Å; M523-I528 HydrophobicContact SD-CB 4.06Å; M523-I528 HydrophobicContact SD-CG2 3.69Å; M523-Y529 PolarHBondContact O-N 2.6Å
524	L	96.4	Very high	96.6	Very high	58 Å²	58	31.9 Å²	31.9	30%	0.304	19%	0.186	S	C	.	.	H	α-helix	trans	-71.8	-56.2	178.3	-71.4	165.6	0	0	0	111.8	P67 I68 Q520 E521 E522 T526 G527 Y529	P67-L524 HydrophobicContact CB-CD1 3.44Å; P67-L524 VanDerWaalsContact CB-CD1 3.44Å; I68-L524 HydrophobicContact CG1-CD1 4.39Å; I68-L524 HydrophobicContact CG1-CG 4.27Å; Q520-L524 WeakPolarHBondContact O-CG 3.48Å; Q520-L524 PolarHBondContact O-N 3.03Å; E521-L524 PolarHBondContact O-N 3.2Å; E521-L524 VanDerWaalsContact O-N 3.16Å; E522-L524 VanDerWaalsContact C-N 3.27Å; E522-L524 PolarHBondContact O-N 3.16Å; L524-T526 VanDerWaalsContact C-N 3.29Å; L524-T526 PolarHBondContact O-N 3.39Å; L524-G527 PolarHBondContact O-N 3.33Å; L524-Y529 HydrophobicContact CD2-CD1 3.59Å; L524-Y529 HydrophobicContact CD2-CD2 4.23Å; L524-Y529 HydrophobicContact CD2-CE1 4.18Å; L524-Y529 HydrophobicContact CD2-CG 3.59Å
525	E	94.2	Very high	96.4	Very high	121 Å²	121	34.1 Å²	34.1	57%	0.565	19%	0.194	S	C	*	.	H	α-helix	trans	-59.6	-39.1	-177.1	-72.1	168.4	-167.6	0	0	112.3	K215 E521 G527	K215-E525 VanDerWaalsContact CE-OE2 3.3Å; K215-E525 WeakPolarHBondContact CE-OE2 3.34Å; K215-E525 IonicContact NZ-OE1 3.14Å; K215-E525 IonicContact NZ-OE2 3.95Å; K215-E525 PolarHBondContact NZ-OE2 3.46Å; E521-E525 WeakPolarHBondContact O-CB 3.34Å; E521-E525 VanDerWaalsContact O-CG 3.26Å; E521-E525 WeakPolarHBondContact O-CG 3.32Å; E521-E525 PolarHBondContact O-N 2.72Å; E525-G527 PolarHBondContact O-N 3.27Å
526	T	93.5	Very high	96	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.037	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5	179.7	63	0	0	0	0	112.6	P28 R32 K215 E522 L524 I528	P28-T526 HydrophobicContact CB-CG2 3.99Å; P28-T526 HydrophobicContact CG-CG2 4.24Å; R32-T526 PolarHBondContact NH2-O 2.75Å; K215-T526 HydrophobicContact CB-CG2 3.95Å; K215-T526 HydrophobicContact CD-CG2 4.49Å; E522-T526 HydrophobicContact CG-CG2 4.25Å; E522-T526 VanDerWaalsContact O-CB 3.31Å; E522-T526 WeakPolarHBondContact O-CB 3.44Å; E522-T526 VanDerWaalsContact O-CG2 3.31Å; E522-T526 WeakPolarHBondContact O-CG2 3.32Å; E522-T526 PolarHBondContact O-N 3.02Å; E522-T526 PolarHBondContact O-OG1 2.79Å; L524-T526 VanDerWaalsContact C-N 3.29Å; L524-T526 PolarHBondContact O-N 3.39Å; T526-I528 VanDerWaalsContact C-N 3.27Å; T526-I528 PolarHBondContact O-N 3.18Å; T526-I528 WeakPolarHBondContact OG1-CG1 3.25Å
527	G	94.4	Very high	95.5	Very high	29 Å²	29	37.7 Å²	37.7	30%	0.299	22%	0.22	S	C	.	.	S	Bend	trans	80.4	-0.8	179.5	0	0	0	0	0	115	M523 L524 E525 Y529 G530 E531	M523-G527 PolarHBondContact O-N 2.97Å; L524-G527 PolarHBondContact O-N 3.33Å; E525-G527 PolarHBondContact O-N 3.27Å; G527-Y529 PolarHBondContact O-N 3.2Å; G527-G530 PolarHBondContact O-N 3.33Å; G527-G530 VanDerWaalsContact O-N 3.14Å; G527-E531 WeakPolarHBondContact O-CG 3.4Å; G527-E531 PolarHBondContact O-N 3.12Å
528	I	95.9	Very high	94.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-38.1	177	-62.7	-69.1	0	0	0	111.1	L40 W178 T213 M523 T526 E531 L532	L40-I528 HydrophobicContact CD1-CD1 4.39Å; L40-I528 HydrophobicContact CD1-CG2 4.3Å; W178-I528 HydrophobicContact CH2-CG2 4.41Å; T213-I528 HydrophobicContact CG2-CG1 4.31Å; M523-I528 PolarHBondContact O-N 3.47Å; M523-I528 HydrophobicContact SD-CB 4.06Å; M523-I528 HydrophobicContact SD-CG2 3.69Å; T526-I528 VanDerWaalsContact C-N 3.27Å; T526-I528 PolarHBondContact O-N 3.18Å; T526-I528 WeakPolarHBondContact OG1-CG1 3.25Å; I528-E531 PolarHBondContact O-N 3.46Å; I528-L532 HydrophobicContact CG2-CD1 3.73Å; I528-L532 HydrophobicContact CG2-CG 4.21Å; I528-L532 WeakPolarHBondContact O-CB 3.31Å; I528-L532 WeakPolarHBondContact O-CG 3.42Å; I528-L532 PolarHBondContact O-N 2.71Å
529	Y	97.3	Very high	93.9	Very high	13 Å²	13	42 Å²	42	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-52	174.1	178.5	-96.6	0	0	0	111.5	I68 R71 L72 W178 M523 L524 G527 E531 L532 N533	I68-Y529 HydrophobicContact CB-CE2 4.43Å; I68-Y529 HydrophobicContact CD1-CD2 3.92Å; I68-Y529 HydrophobicContact CD1-CE2 4.47Å; I68-Y529 HydrophobicContact CG1-CD2 3.86Å; I68-Y529 HydrophobicContact CG1-CE2 4.12Å; I68-Y529 HydrophobicContact CG2-CD2 4.28Å; I68-Y529 HydrophobicContact CG2-CE2 3.78Å; R71-Y529 HydrophobicContact CG-CE1 3.76Å; R71-Y529 WeakPolarHBondContact CG-OH 3.48Å; L72-Y529 VanDerWaalsContact CD2-OH 3.3Å; L72-Y529 WeakPolarHBondContact CD2-OH 3.28Å; L72-Y529 WeakPolarHBondContact CG-OH 3.39Å; W178-Y529 HydrophobicContact CD2-CD2 4.35Å; W178-Y529 AromaticContact CE2-CD2 3.6Å; W178-Y529 AromaticContact CE2-CE2 3.89Å; W178-Y529 HydrophobicContact CH2-CD2 4.13Å; W178-Y529 AromaticContact CZ2-CD2 3.48Å; W178-Y529 HydrophobicContact CZ2-CD2 3.48Å; W178-Y529 VanDerWaalsContact CZ2-CD2 3.48Å; W178-Y529 HydrophobicContact CZ2-CE2 4.16Å; W178-Y529 HydrophobicContact CZ2-CG 4.2Å; W178-Y529 AromaticContact NE1-CD2 3.83Å; W178-Y529 AromaticContact NE1-CE2 3.61Å; M523-Y529 PolarHBondContact O-N 2.6Å; L524-Y529 HydrophobicContact CD2-CD1 3.59Å; L524-Y529 HydrophobicContact CD2-CD2 4.23Å; L524-Y529 HydrophobicContact CD2-CE1 4.18Å; L524-Y529 HydrophobicContact CD2-CG 3.59Å; G527-Y529 PolarHBondContact O-N 3.2Å; Y529-E531 VanDerWaalsContact C-N 3.31Å; Y529-E531 PolarHBondContact O-N 3.33Å; Y529-L532 PolarHBondContact O-N 3.03Å; Y529-N533 HydrophobicContact CD1-CB 4.27Å; Y529-N533 HydrophobicContact CD2-CB 4.16Å; Y529-N533 HydrophobicContact CE1-CB 4.04Å; Y529-N533 HydrophobicContact CE2-CB 3.92Å; Y529-N533 HydrophobicContact CG-CB 4.35Å; Y529-N533 WeakPolarHBondContact O-CA 3.39Å; Y529-N533 WeakPolarHBondContact O-CB 3.49Å; Y529-N533 PolarHBondContact O-N 3.23Å; Y529-N533 PolarHBondContact OH-ND2 3.29Å; Y529-N533 VanDerWaalsContact OH-ND2 3.09Å
530	G	95.4	Very high	93.5	Very high	54 Å²	54	45.5 Å²	45.5	56%	0.557	30%	0.297	S	S	*	.	H	α-helix	trans	-63.9	-34.3	179.4	0	0	0	0	0	113.5	G527	G527-G530 PolarHBondContact O-N 3.33Å; G527-G530 VanDerWaalsContact O-N 3.14Å
531	E	95.1	Very high	93	Very high	84 Å²	84	48 Å²	48	39%	0.393	31%	0.31	S	S	.	.	H	α-helix	trans	-68.9	-35.9	177.4	-70.2	169.4	-154.7	0	0	113.2	R32 R37 G527 I528 Y529	R32-E531 IonicContact CZ-OE1 3.22Å; R32-E531 VanDerWaalsContact CZ-OE1 3.31Å; R32-E531 VanDerWaalsContact NH1-CD 3.3Å; R32-E531 IonicContact NH1-OE1 2.69Å; R32-E531 PolarHBondContact NH1-OE1 2.92Å; R32-E531 IonicContact NH1-OE2 3.31Å; R32-E531 PolarHBondContact NH1-OE2 3.45Å; R32-E531 VanDerWaalsContact NH1-OE2 3.08Å; R32-E531 IonicContact NH2-OE1 2.63Å; R32-E531 PolarHBondContact NH2-OE1 2.87Å; R37-E531 IonicContact CZ-OE2 2.64Å; R37-E531 VanDerWaalsContact CZ-OE2 3.31Å; R37-E531 IonicContact NE-OE2 3.35Å; R37-E531 PolarHBondContact NE-OE2 2.97Å; R37-E531 IonicContact NH2-OE2 2.69Å; R37-E531 PolarHBondContact NH2-OE2 2.72Å; G527-E531 WeakPolarHBondContact O-CG 3.4Å; G527-E531 PolarHBondContact O-N 3.12Å; I528-E531 PolarHBondContact O-N 3.46Å; Y529-E531 VanDerWaalsContact C-N 3.31Å; Y529-E531 PolarHBondContact O-N 3.33Å
532	L	96.1	Very high	92.7	Very high	29 Å²	29	46.2 Å²	46.2	15%	0.152	30%	0.303	C	S	.	.	H	α-helix	trans	-99	-28.7	-175	-62.5	-176.1	0	0	0	113.2	L40 L42 W178 L181 I528 Y529 V534	L40-L532 HydrophobicContact CB-CD1 4.33Å; L40-L532 WeakPolarHBondContact O-CD1 3.43Å; L42-L532 HydrophobicContact CD1-CB 4.43Å; L42-L532 HydrophobicContact CG-CB 4.39Å; W178-L532 HydrophobicContact CH2-CB 3.9Å; W178-L532 HydrophobicContact CH2-CD1 4.01Å; W178-L532 HydrophobicContact CH2-CG 4.46Å; W178-L532 HydrophobicContact CZ2-CB 3.91Å; L181-L532 HydrophobicContact CD2-CD1 4.39Å; I528-L532 HydrophobicContact CG2-CD1 3.73Å; I528-L532 HydrophobicContact CG2-CG 4.21Å; I528-L532 WeakPolarHBondContact O-CB 3.31Å; I528-L532 WeakPolarHBondContact O-CG 3.42Å; I528-L532 PolarHBondContact O-N 2.71Å; Y529-L532 PolarHBondContact O-N 3.03Å; L532-V534 PolarHBondContact O-N 3.06Å
533	N	96.2	Very high	92.4	Very high	14 Å²	14	50.1 Å²	50.1	8%	0.075	32%	0.324	C	S	.	.			trans	-81.9	63.2	-177.9	-166.4	57	0	0	0	111.4	E75 R174 W178 Y529	E75-N533 PolarHBondContact OE2-ND2 3.46Å; R174-N533 VanDerWaalsContact CD-OD1 3.22Å; R174-N533 WeakPolarHBondContact CD-OD1 3.47Å; R174-N533 WeakPolarHBondContact CG-OD1 3.14Å; R174-N533 PolarHBondContact NH1-OD1 2.91Å; W178-N533 HydrophobicContact CZ2-CB 4.22Å; Y529-N533 HydrophobicContact CD1-CB 4.27Å; Y529-N533 HydrophobicContact CD2-CB 4.16Å; Y529-N533 HydrophobicContact CE1-CB 4.04Å; Y529-N533 HydrophobicContact CE2-CB 3.92Å; Y529-N533 HydrophobicContact CG-CB 4.35Å; Y529-N533 WeakPolarHBondContact O-CA 3.39Å; Y529-N533 WeakPolarHBondContact O-CB 3.49Å; Y529-N533 PolarHBondContact O-N 3.23Å; Y529-N533 PolarHBondContact OH-ND2 3.29Å; Y529-N533 VanDerWaalsContact OH-ND2 3.09Å
534	V	93.8	Very high	92.1	Very high	85 Å²	85	52.1 Å²	52.1	52%	0.515	33%	0.334	S	S	.	.			trans	-97.3	143.7	179.1	-63.8	0	0	0	0	111.2	R174 L532	R174-V534 PolarHBondContact NH1-O 2.95Å; R174-V534 PolarHBondContact NH2-O 3.08Å; L532-V534 PolarHBondContact O-N 3.06Å
535	W	93.6	Very high	92	Very high	63 Å²	63	49.4 Å²	49.4	24%	0.239	32%	0.32	C	S	.	.			trans	-109.3	161.4	175.8	-58.9	118.6	0	0	0	110.5	L72 E75 M170 Y171 R174 P542 L545	L72-W535 HydrophobicContact CD2-CZ2 4.07Å; E75-W535 PolarHBondContact OE2-NE1 3.4Å; M170-W535 HydrophobicContact CE-CD2 3.93Å; M170-W535 HydrophobicContact CE-CE3 3.13Å; M170-W535 HydrophobicContact CE-CH2 4.04Å; M170-W535 HydrophobicContact CE-CZ3 3.2Å; M170-W535 HydrophobicContact CG-CZ3 4.43Å; Y171-W535 AromaticContact CD1-CH2 3.97Å; Y171-W535 HydrophobicContact CD1-CH2 3.97Å; Y171-W535 AromaticContact CD1-CZ2 3.59Å; Y171-W535 HydrophobicContact CD1-CZ2 3.59Å; Y171-W535 HydrophobicContact CE1-CH2 4.32Å; Y171-W535 AromaticContact CE1-CZ2 3.69Å; Y171-W535 HydrophobicContact CE1-CZ2 3.69Å; R174-W535 HydrophobicContact CB-CH2 3.55Å; R174-W535 HydrophobicContact CB-CZ2 4.42Å; R174-W535 HydrophobicContact CB-CZ3 4.16Å; R174-W535 HydrophobicContact CG-CH2 3.73Å; R174-W535 HydrophobicContact CG-CZ2 4.2Å; R174-W535 HydrophobicContact CG-CZ3 4.38Å; W535-P542 HydrophobicContact CE3-CG 4.07Å; W535-P542 HydrophobicContact CZ3-CG 4.48Å; W535-L545 HydrophobicContact CZ3-CD1 3.7Å
536	G	89.6	Confident	91.8	Very high	16 Å²	16	47.2 Å²	47.2	17%	0.165	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-66.8	169.9	173.8	0	0	0	0	0	112.6	G538 G539 T540	G536-G538 PolarHBondContact O-N 3.42Å; G536-G539 PolarHBondContact O-N 3.21Å; G536-T540 VanDerWaalsContact C-OG1 3.3Å; G536-T540 WeakPolarHBondContact CA-O 3.29Å; G536-T540 WeakPolarHBondContact CA-OG1 3.47Å; G536-T540 PolarHBondContact N-O 2.97Å; G536-T540 PolarHBondContact O-N 2.96Å
537	P	86.5	Confident	91.5	Very high	120 Å²	120	54 Å²	54	78%	0.779	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-50.5	131.6	177.7	-25.4	34.2	0	0	0	111.7	G539 T540	P537-G539 VanDerWaalsContact C-N 3.27Å; P537-G539 PolarHBondContact O-N 3.06Å; P537-T540 WeakPolarHBondContact O-CB 3.43Å; P537-T540 VanDerWaalsContact O-CG2 3.25Å; P537-T540 WeakPolarHBondContact O-CG2 3.36Å; P537-T540 PolarHBondContact O-N 3.39Å; P537-T540 PolarHBondContact O-OG1 3.44Å
538	G	81.4	Confident	91.1	Very high	93 Å²	93	58.8 Å²	58.8	96%	0.959	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	68.8	17.9	-178	0	0	0	0	0	115.2	G536	G536-G538 PolarHBondContact O-N 3.42Å
539	G	83.4	Confident	90.5	Very high	43 Å²	43	59.5 Å²	59.5	44%	0.443	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	82	18.4	-177.7	0	0	0	0	0	113.8	G536 P537	G536-G539 PolarHBondContact O-N 3.21Å; P537-G539 VanDerWaalsContact C-N 3.27Å; P537-G539 PolarHBondContact O-N 3.06Å
540	T	88.4	Confident	89.7	Confident	76 Å²	76	64.2 Å²	64.2	47%	0.466	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-75.2	166.1	-178.8	51.8	0	0	0	0	112.9	G536 P537 P542	G536-T540 VanDerWaalsContact C-OG1 3.3Å; G536-T540 WeakPolarHBondContact CA-O 3.29Å; G536-T540 WeakPolarHBondContact CA-OG1 3.47Å; G536-T540 PolarHBondContact N-O 2.97Å; G536-T540 PolarHBondContact O-N 2.96Å; P537-T540 WeakPolarHBondContact O-CB 3.43Å; P537-T540 VanDerWaalsContact O-CG2 3.25Å; P537-T540 WeakPolarHBondContact O-CG2 3.36Å; P537-T540 PolarHBondContact O-N 3.39Å; P537-T540 PolarHBondContact O-OG1 3.44Å; T540-P542 WeakPolarHBondContact O-CD 3.43Å
541	L	88.9	Confident	88.8	Confident	55 Å²	55	68.8 Å²	68.8	29%	0.288	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.8	117	180	-168	67.8	0	0	0	111.1	M170 L545 R546	M170-L541 HydrophobicContact CB-CD1 3.51Å; M170-L541 HydrophobicContact CE-CD1 4.16Å; M170-L541 HydrophobicContact CG-CD1 4.41Å; M170-L541 HydrophobicContact SD-CD1 4.11Å; L541-L545 HydrophobicContact CD1-CB 3.55Å; L541-L545 HydrophobicContact CD1-CD1 4.08Å; L541-L545 HydrophobicContact CD1-CG 4.48Å; L541-L545 HydrophobicContact CG-CB 4.02Å; L541-R546 HydrophobicContact CB-CG 4.46Å; L541-R546 HydrophobicContact CD2-CG 3.81Å; L541-R546 HydrophobicContact CG-CG 3.96Å
542	P	92.4	Very high	87.8	Confident	12 Å²	12	69.2 Å²	69.2	8%	0.078	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-75.1	159.7	179.7	33.1	-36.7	0	0	0	111.2	W535 T540 D544 L545 R546	W535-P542 HydrophobicContact CE3-CG 4.07Å; W535-P542 HydrophobicContact CZ3-CG 4.48Å; T540-P542 WeakPolarHBondContact O-CD 3.43Å; P542-D544 VanDerWaalsContact C-N 3.3Å; P542-D544 VanDerWaalsContact CB-OD1 3.3Å; P542-D544 WeakPolarHBondContact CB-OD1 3.43Å; P542-D544 WeakPolarHBondContact CG-OD1 3.12Å; P542-D544 PolarHBondContact O-N 3.24Å; P542-L545 HydrophobicContact CG-CB 4.32Å; P542-L545 HydrophobicContact CG-CD1 3.93Å; P542-L545 HydrophobicContact CG-CG 4.16Å; P542-L545 PolarHBondContact O-N 2.83Å; P542-R546 PolarHBondContact O-N 3.04Å
543	N	90.3	Very high	85.8	Confident	82 Å²	82	75.8 Å²	75.8	44%	0.439	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-58.3	-39.7	-172.6	-69.3	11.4	0	0	0	112.6	L545 R546 S549	N543-L545 PolarHBondContact O-N 2.72Å; N543-R546 PolarHBondContact O-N 3.49Å; N543-R546 PolarHBondContact OD1-NH1 2.82Å; N543-R546 PolarHBondContact OD1-NH2 3.19Å; N543-S549 PolarHBondContact O-OG 3.31Å
544	D	92.4	Very high	83.9	Confident	41 Å²	41	80.3 Å²	80.3	22%	0.219	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-58.9	-17.4	177.6	57.4	-67.2	0	0	0	113.8	I45 R174 Q177 P542	I45-D544 PolarHBondContact N-O 2.98Å; R174-D544 IonicContact CZ-OD2 3.93Å; R174-D544 IonicContact NE-OD2 2.72Å; R174-D544 IonicContact NH2-OD1 3.04Å; R174-D544 IonicContact NH2-OD2 2.66Å; R174-D544 PolarHBondContact NH2-OD2 3.26Å; Q177-D544 PolarHBondContact NE2-O 3.41Å; Q177-D544 PolarHBondContact NE2-OD2 3.36Å; Q177-D544 PolarHBondContact OE1-OD2 2.85Å; P542-D544 VanDerWaalsContact C-N 3.3Å; P542-D544 VanDerWaalsContact CB-OD1 3.3Å; P542-D544 WeakPolarHBondContact CB-OD1 3.43Å; P542-D544 WeakPolarHBondContact CG-OD1 3.12Å; P542-D544 PolarHBondContact O-N 3.24Å
545	L	92.9	Very high	81.8	Confident	2 Å²	2	82.1 Å²	82.1	1%	0.01	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-106.3	-4.2	175.8	-67	-179.3	0	0	0	114.4	I45 K173 R174 Q177 W535 L541 P542 N543	I45-L545 HydrophobicContact CB-CD2 4.02Å; I45-L545 HydrophobicContact CD1-CD2 3.98Å; I45-L545 HydrophobicContact CG1-CD2 4.21Å; K173-L545 HydrophobicContact CB-CD2 3.76Å; R174-L545 HydrophobicContact CB-CD1 4.22Å; Q177-L545 HydrophobicContact CG-CD2 4.14Å; W535-L545 HydrophobicContact CZ3-CD1 3.7Å; L541-L545 HydrophobicContact CD1-CB 3.55Å; L541-L545 HydrophobicContact CD1-CD1 4.08Å; L541-L545 HydrophobicContact CD1-CG 4.48Å; L541-L545 HydrophobicContact CG-CB 4.02Å; P542-L545 HydrophobicContact CG-CB 4.32Å; P542-L545 HydrophobicContact CG-CD1 3.93Å; P542-L545 HydrophobicContact CG-CG 4.16Å; P542-L545 PolarHBondContact O-N 2.83Å; N543-L545 PolarHBondContact O-N 2.72Å
546	R	90.1	Very high	79.4	Confident	74 Å²	74	88.1 Å²	88.1	28%	0.279	49%	0.491	S	S	.	.			trans	-92.4	113.8	175.8	-65.3	-152.9	-54.6	-106.9	3.1	110.1	H44 L541 P542 N543 E548 S549 E552	H44-R546 PolarHBondContact NE2-O 3.05Å; H44-R546 VanDerWaalsContact NE2-O 3.08Å; L541-R546 HydrophobicContact CB-CG 4.46Å; L541-R546 HydrophobicContact CD2-CG 3.81Å; L541-R546 HydrophobicContact CG-CG 3.96Å; P542-R546 PolarHBondContact O-N 3.04Å; N543-R546 PolarHBondContact O-N 3.49Å; N543-R546 PolarHBondContact OD1-NH1 2.82Å; N543-R546 PolarHBondContact OD1-NH2 3.19Å; R546-E548 PolarHBondContact O-N 2.91Å; R546-S549 WeakPolarHBondContact O-CB 3.47Å; R546-S549 PolarHBondContact O-N 3.49Å; R546-S549 PolarHBondContact O-OG 3.19Å; R546-E552 IonicContact NH2-OE1 3.27Å; R546-E552 PolarHBondContact NH2-OE1 3.49Å; R546-E552 IonicContact NH2-OE2 3.77Å; R546-E552 PolarHBondContact NH2-OE2 2.86Å
547	R	86.8	Confident	77	Confident	149 Å²	149	92.8 Å²	92.8	56%	0.562	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-57.9	-37.9	-177.8	-163.6	177.5	-152.3	-165.1	2	112.1	T46 E49 S549 I550	T46-R547 HydrophobicContact CG2-CG 4.08Å; E49-R547 IonicContact OE1-CZ 2.71Å; E49-R547 IonicContact OE1-NE 3.33Å; E49-R547 PolarHBondContact OE1-NE 3.19Å; E49-R547 IonicContact OE1-NH2 3.48Å; E49-R547 PolarHBondContact OE1-NH2 2.94Å; E49-R547 IonicContact OE2-CZ 2.87Å; E49-R547 IonicContact OE2-NE 2.78Å; E49-R547 IonicContact OE2-NH2 3.38Å; E49-R547 PolarHBondContact OE2-NH2 2.9Å; R547-S549 PolarHBondContact O-N 3.04Å; R547-I550 WeakPolarHBondContact O-CG2 3.07Å
548	E	86.4	Confident	74.7	Confident	130 Å²	130	92.2 Å²	92.2	61%	0.607	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-71	-20.2	-178.6	-52.6	80	-168.1	0	0	112.8	R546 I550 L551	R546-E548 PolarHBondContact O-N 2.91Å; E548-I550 PolarHBondContact O-N 3.26Å; E548-I550 VanDerWaalsContact O-N 3.15Å; E548-L551 WeakPolarHBondContact O-CB 2.98Å; E548-L551 PolarHBondContact O-N 2.94Å
549	S	84.5	Confident	72.5	Confident	15 Å²	15	93.7 Å²	93.7	11%	0.105	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-66.3	-18.7	-175.9	78	0	0	0	0	113.5	H44 N543 R546 R547 L551 E552	H44-S549 PolarHBondContact NE2-OG 3.42Å; H44-S549 VanDerWaalsContact NE2-OG 3.16Å; N543-S549 PolarHBondContact O-OG 3.31Å; R546-S549 WeakPolarHBondContact O-CB 3.47Å; R546-S549 PolarHBondContact O-N 3.49Å; R546-S549 PolarHBondContact O-OG 3.19Å; R547-S549 PolarHBondContact O-N 3.04Å; S549-L551 PolarHBondContact O-N 3.1Å; S549-E552 WeakPolarHBondContact O-CB 3.2Å; S549-E552 PolarHBondContact O-N 3.4Å
550	I	79.8	Confident	70.1	Confident	111 Å²	111	97.4 Å²	97.4	57%	0.569	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-61.8	-22.8	173.9	-158.4	167.5	0	0	0	112.5	R547 E548	R547-I550 WeakPolarHBondContact O-CG2 3.07Å; E548-I550 PolarHBondContact O-N 3.26Å; E548-I550 VanDerWaalsContact O-N 3.15Å
551	L	75.7	Confident	67.5	Low	151 Å²	151	99.7 Å²	99.7	79%	0.791	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-90.8	-14.8	176.8	-56.3	176.5	0	0	0	112.3	E548 S549 Q553	E548-L551 WeakPolarHBondContact O-CB 2.98Å; E548-L551 PolarHBondContact O-N 2.94Å; S549-L551 PolarHBondContact O-N 3.1Å; L551-Q553 PolarHBondContact O-N 2.83Å
552	E	74.3	Confident	64.9	Low	93 Å²	93	105.3 Å²	105.3	44%	0.435	57%	0.571	S	S	.	*	S	Bend	trans	-74.9	123.4	176.6	-63.6	173.7	-161	0	0	108.6	R546 S549	R546-E552 IonicContact NH2-OE1 3.27Å; R546-E552 PolarHBondContact NH2-OE1 3.49Å; R546-E552 IonicContact NH2-OE2 3.77Å; R546-E552 PolarHBondContact NH2-OE2 2.86Å; S549-E552 WeakPolarHBondContact O-CB 3.2Å; S549-E552 PolarHBondContact O-N 3.4Å
553	Q	55.5	Low	62.1	Low	166 Å²	166	113.5 Å²	113.5	78%	0.776	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-61	137.1	174.5	-71.5	-169.8	1.8	0	0	109.2	L551	L551-Q553 PolarHBondContact O-N 2.83Å
554	P	56.3	Low	60.7	Low	109 Å²	109	115.1 Å²	115.1	71%	0.708	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-55.3	135.8	173.3	22.3	-30.8	0	0	0	108.1	K556	P554-K556 PolarHBondContact O-N 2.83Å; P554-K556 VanDerWaalsContact O-N 3.08Å
555	P	49.4	Very low	59	Low	124 Å²	124	119 Å²	119	81%	0.805	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-52.9	126	175.8	20.2	-29.6	0	0	0	107.6	S557	P555-S557 PolarHBondContact O-N 3.47Å
556	K	41.5	Very low	57.2	Low	188 Å²	188	125.5 Å²	125.5	82%	0.817	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-50.6	117.9	174	-73.7	-178.9	178.6	177.7	0	106.4	P554 S558	P554-K556 PolarHBondContact O-N 2.83Å; P554-K556 VanDerWaalsContact O-N 3.08Å; K556-S558 PolarHBondContact O-N 3.09Å
557	S	40.1	Very low	55.2	Low	114 Å²	114	128.5 Å²	128.5	80%	0.797	72%	0.722	S	S	*	*			trans	-38.2	105.3	173.5	174.9	0	0	0	0	108.5	P555 T559	P555-S557 PolarHBondContact O-N 3.47Å; S557-T559 PolarHBondContact O-N 2.78Å; S557-T559 VanDerWaalsContact O-N 3.11Å
558	S	38.3	Very low	53.3	Low	109 Å²	109	127.3 Å²	127.3	76%	0.762	73%	0.732	S	S	*	*			trans	-65.8	117.6	176.6	40.3	0	0	0	0	105.9	K556 C560	K556-S558 PolarHBondContact O-N 3.09Å; S558-C560 PolarHBondContact O-N 3.03Å
559	T	34.6	Very low	51	Low	123 Å²	123	127.1 Å²	127.1	76%	0.755	74%	0.74	S	S	*	*			trans	-44.3	128.4	173.5	-35.5	0	0	0	0	108.6	S557 T561	S557-T559 PolarHBondContact O-N 2.78Å; S557-T559 VanDerWaalsContact O-N 3.11Å; T559-T561 VanDerWaalsContact C-N 3.35Å; T559-T561 PolarHBondContact O-N 2.71Å
560	C	34.2	Very low	48.7	Very low	122 Å²	122	135.1 Å²	135.1	82%	0.824	79%	0.785	S	S	*	*			trans	-56.3	98.5	169.8	-138.2	0	0	0	0	107.8	S558 L562	S558-C560 PolarHBondContact O-N 3.03Å; C560-L562 PolarHBondContact O-N 3.47Å
561	T	32.8	Very low	46.3	Very low	123 Å²	123	136.9 Å²	136.9	76%	0.755	80%	0.802	S	S	*	*			trans	-77.6	102.3	162.7	41.5	0	0	0	0	106.5	T559 S563	T559-T561 VanDerWaalsContact C-N 3.35Å; T559-T561 PolarHBondContact O-N 2.71Å; T561-S563 PolarHBondContact O-N 2.84Å
562	L	34.6	Very low	43.8	Very low	173 Å²	173	135.8 Å²	135.8	91%	0.906	80%	0.803	S	S	*	*			trans	-58.9	118.3	158.6	-79.8	157.5	0	0	0	107.7	C560	C560-L562 PolarHBondContact O-N 3.47Å
563	S	34.1	Very low	41	Very low	185 Å²	185	139.6 Å²	139.6	100%	1.294	84%	0.836	S	S	*	*			trans	-142.6	0	159.1	56	0	0	0	0	108.7	T561	T561-S563 PolarHBondContact O-N 2.84Å

Retrieved 563 of 563 residues in 179.7 ms (Link to these results)

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