A0A077Z5K2_TRITR Loading...

(S)-3-amino-2-methylpropionate transaminase

AlphaFold DB , UniProt , Accession A0A077Z5K2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 469 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	72.1	Confident	238 Å²	238	80.7 Å²	80.7	100%	1.172	50%	0.501	S	S	*	.				0	133.7	0	-72.4	178.8	-142.2	0	0	107.3	V3	M1-V3 PolarHBondContact O-N 2.68Å
2	A	52.3	Low	73.6	Confident	98 Å²	98	83.6 Å²	83.6	81%	0.81	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-62.9	130.4	175.3	0	0	0	0	0	109.3	A4	A2-A4 PolarHBondContact O-N 3.33Å
3	V	55.4	Low	75.1	Confident	45 Å²	45	80.3 Å²	80.3	27%	0.273	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-62.4	125.4	173.7	179.5	0	0	0	0	107.1	M1 S5 D372	M1-V3 PolarHBondContact O-N 2.68Å; V3-S5 PolarHBondContact O-N 3.13Å; V3-D372 HydrophobicContact CG1-CB 3.84Å; V3-D372 VanDerWaalsContact CG1-O 3.28Å; V3-D372 WeakPolarHBondContact CG1-O 3.47Å; V3-D372 WeakPolarHBondContact CG2-O 3.31Å
4	A	59.9	Low	76.7	Confident	87 Å²	87	75.7 Å²	75.7	72%	0.719	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-57.8	124	175.6	0	0	0	0	0	108.8	A2 S6	A2-A4 PolarHBondContact O-N 3.33Å; A4-S6 PolarHBondContact O-N 2.82Å
5	S	69.9	Low	78.1	Confident	71 Å²	71	73.9 Å²	73.9	50%	0.497	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-61.8	126.9	-176.1	179.6	0	0	0	0	110.3	V3 F7	V3-S5 PolarHBondContact O-N 3.13Å; S5-F7 PolarHBondContact O-N 3.27Å; S5-F7 VanDerWaalsContact O-N 3.08Å; S5-F7 PolarHBondContact OG-N 2.96Å; S5-F7 PolarHBondContact OG-O 3.05Å; S5-F7 VanDerWaalsContact OG-O 3.09Å
6	S	77.2	Confident	79.3	Confident	26 Å²	26	73.3 Å²	73.3	18%	0.182	47%	0.468	C	S	.	.	S	Bend	trans	-62.2	-8.7	167.5	-60	0	0	0	0	112.7	A4 H79 P80 D372	A4-S6 PolarHBondContact O-N 2.82Å; S6-H79 WeakPolarHBondContact CB-NE2 3.49Å; S6-P80 WeakPolarHBondContact O-CG 3.28Å; S6-D372 PolarHBondContact OG-OD2 3.43Å
7	F	87	Confident	80.4	Confident	10 Å²	10	78.3 Å²	78.3	4%	0.044	48%	0.48	C	S	.	.			trans	-125.8	83.3	179.8	-61.4	-88.2	0	0	0	110.7	S5 N9 E10 I51 Y77 H79 I449	S5-F7 PolarHBondContact O-N 3.27Å; S5-F7 VanDerWaalsContact O-N 3.08Å; S5-F7 PolarHBondContact OG-N 2.96Å; S5-F7 PolarHBondContact OG-O 3.05Å; S5-F7 VanDerWaalsContact OG-O 3.09Å; F7-N9 PolarHBondContact O-N 3.24Å; F7-N9 VanDerWaalsContact O-N 3.13Å; F7-E10 HydrophobicContact CB-CB 3.73Å; F7-E10 WeakPolarHBondContact O-CB 3.33Å; F7-E10 PolarHBondContact O-N 2.93Å; F7-E10 VanDerWaalsContact O-N 3.12Å; F7-I51 HydrophobicContact CD1-CD1 4.16Å; F7-I51 HydrophobicContact CD1-CG1 3.55Å; F7-I51 HydrophobicContact CE1-CG1 4.07Å; F7-I51 HydrophobicContact CG-CG1 4.4Å; F7-Y77 WeakPolarHBondContact CE1-O 3.4Å; F7-Y77 WeakPolarHBondContact CZ-O 3.46Å; F7-H79 AromaticContact CE2-CD2 3.53Å; F7-H79 VanDerWaalsContact CZ-CA 3.44Å; F7-H79 HydrophobicContact CZ-CB 3.81Å; F7-H79 AromaticContact CZ-CD2 3.64Å; F7-H79 AromaticContact CZ-CG 3.98Å; F7-I449 HydrophobicContact CD2-CD1 3.97Å; F7-I449 HydrophobicContact CE2-CD1 3.53Å; F7-I449 HydrophobicContact CZ-CD1 4.4Å
8	P	78.9	Confident	81.4	Confident	112 Å²	112	76.5 Å²	76.5	73%	0.727	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.9	176.5	25.6	-34.5	0	0	0	113.2
9	N	87.8	Confident	82.3	Confident	136 Å²	136	76.4 Å²	76.4	73%	0.727	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	12.9	179.3	-57.9	-26	0	0	0	112.9	F7 I51	F7-N9 PolarHBondContact O-N 3.24Å; F7-N9 VanDerWaalsContact O-N 3.13Å; N9-I51 HydrophobicContact CB-CD1 4.21Å
10	E	93.7	Very high	83.1	Confident	31 Å²	31	73.1 Å²	73.1	15%	0.145	45%	0.451	C	S	.	.			trans	-61.7	131.2	172	-171.2	172.2	-129.6	0	0	109.3	F7 G52 N53 Y54 H454	F7-E10 HydrophobicContact CB-CB 3.73Å; F7-E10 WeakPolarHBondContact O-CB 3.33Å; F7-E10 PolarHBondContact O-N 2.93Å; F7-E10 VanDerWaalsContact O-N 3.12Å; E10-G52 WeakPolarHBondContact OE1-CA 3.5Å; E10-N53 WeakPolarHBondContact OE1-CB 3.19Å; E10-N53 PolarHBondContact OE1-N 3.26Å; E10-N53 PolarHBondContact OE1-ND2 3.08Å; E10-Y54 HydrophobicContact CG-CD2 3.62Å; E10-Y54 HydrophobicContact CG-CE2 3.64Å; E10-H454 IonicContact OE1-NE2 2.94Å; E10-H454 IonicContact OE2-CE1 3.64Å; E10-H454 PolarHBondContact OE2-CE1 3.05Å; E10-H454 IonicContact OE2-NE2 3.77Å; E10-H454 PolarHBondContact OE2-NE2 2.83Å
11	P	92.2	Very high	83.8	Confident	34 Å²	34	71.1 Å²	71.1	22%	0.221	44%	0.44	C	S	.	.			trans	-58.4	146.1	176.6	-16.5	23.4	0	0	0	111.8	A13 I51 Y54 L62	P11-A13 VanDerWaalsContact C-N 3.32Å; P11-I51 HydrophobicContact CG-CG2 4.25Å; P11-Y54 HydrophobicContact CB-CD2 4.49Å; P11-Y54 HydrophobicContact CB-CE1 4.38Å; P11-Y54 HydrophobicContact CB-CE2 4.38Å; P11-Y54 HydrophobicContact CG-CD1 4.38Å; P11-Y54 HydrophobicContact CG-CD2 4.14Å; P11-Y54 HydrophobicContact CG-CG 4.07Å; P11-Y54 WeakPolarHBondContact O-CE2 3.34Å; P11-Y54 VanDerWaalsContact O-CZ 3.28Å; P11-Y54 PolarHBondContact O-OH 3.22Å; P11-L62 HydrophobicContact CB-CD2 4.19Å; P11-L62 HydrophobicContact CG-CD2 3.31Å; P11-L62 HydrophobicContact CG-CG 4.34Å
12	S	90	Very high	86.6	Confident	115 Å²	115	59.9 Å²	59.9	80%	0.804	38%	0.384	S	S	*	.	S	Bend	trans	-77.8	-17	174	56.6	0	0	0	0	113.6
13	A	93.5	Very high	88.8	Confident	41 Å²	41	59.6 Å²	59.6	34%	0.339	37%	0.374	S	S	.	.	S	Bend	trans	-154.4	155.7	-178.9	0	0	0	0	0	111.7	P11	P11-A13 VanDerWaalsContact C-N 3.32Å
14	P	97.1	Very high	90.9	Very high	16 Å²	16	63.6 Å²	63.6	10%	0.104	39%	0.388	C	S	.	.			trans	-54.5	146.3	167.9	-26.1	32.9	0	0	0	112.8	Y54 L62 L64 G431	P14-Y54 HydrophobicContact CG-CE1 4.19Å; P14-L62 CarbonylContact C-O 3.32Å; P14-L62 WeakPolarHBondContact CA-O 3.21Å; P14-L62 WeakPolarHBondContact CB-O 3.43Å; P14-L64 HydrophobicContact CG-CB 3.95Å; P14-G431 VanDerWaalsContact CB-O 3.32Å; P14-G431 WeakPolarHBondContact CB-O 3.16Å; P14-G431 WeakPolarHBondContact CG-O 3.35Å
15	A	97.5	Very high	92.7	Very high	48 Å²	48	59.5 Å²	59.5	40%	0.397	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-126.2	108.9	178.9	0	0	0	0	0	110.3	N61 L62	A15-N61 CarbonylContact O-C 3.39Å; A15-N61 WeakPolarHBondContact O-CA 3.4Å; A15-L62 HydrophobicContact CB-CB 4.22Å; A15-L62 PolarHBondContact N-O 2.91Å; A15-L62 PolarHBondContact O-N 2.91Å
16	M	98	Very high	94.1	Very high	65 Å²	65	59.5 Å²	59.5	32%	0.32	35%	0.347	S	S	.	.			trans	-103.7	136	-175.1	-52.1	-55.9	-68.3	0	0	110.8	I20 N61 L63 G431	M16-I20 HydrophobicContact CE-CD1 3.36Å; M16-I20 HydrophobicContact CE-CG1 3.9Å; M16-N61 HydrophobicContact CE-CB 4.14Å; M16-N61 HydrophobicContact SD-CB 4.28Å; M16-L63 HydrophobicContact SD-CG 4.48Å; M16-G431 WeakPolarHBondContact SD-CA 3.29Å
17	K	97.9	Very high	95.1	Very high	158 Å²	158	62.2 Å²	62.2	69%	0.687	37%	0.365	S	S	*	.	S	Bend	trans	-120.8	-30.3	178.3	-62.7	-171.7	-176.6	175.6	0	112.8	G60 N61	K17-G60 WeakPolarHBondContact CD-O 3.27Å; K17-G60 WeakPolarHBondContact CE-O 3.23Å; K17-N61 PolarHBondContact N-OD1 3.46Å
18	T	98.3	Very high	95.7	Very high	46 Å²	46	65.1 Å²	65.1	28%	0.282	38%	0.38	S	S	.	.	S	Bend	trans	-138.3	173.1	-179.6	70.2	0	0	0	0	110.7	D59 N61	T18-D59 HydrophobicContact CG2-CB 4.26Å; T18-N61 PolarHBondContact N-OD1 2.94Å; T18-N61 PolarHBondContact O-OD1 3.13Å; T18-N61 PolarHBondContact OG1-ND2 3.31Å
19	S	97.7	Very high	96.6	Very high	75 Å²	75	63.4 Å²	63.4	52%	0.524	36%	0.359	S	S	.	.			trans	-62.1	160.9	159.1	57.1	0	0	0	0	110.9	P21 G22 Q429	S19-P21 CarbonylContact C-O 3.58Å; S19-P21 CarbonylContact O-C 3.56Å; S19-G22 WeakPolarHBondContact O-CA 3.27Å; S19-G22 PolarHBondContact O-N 3.24Å; S19-Q429 VanDerWaalsContact CA-OE1 3.25Å
20	I	98.2	Very high	97.1	Very high	9 Å²	9	59.7 Å²	59.7	5%	0.046	35%	0.347	C	S	.	.	S	Bend	trans	-118.1	124.4	175.6	-60.6	-175.3	0	0	0	110.7	M16 F43 N61 L63 R428 Q429	M16-I20 HydrophobicContact CE-CD1 3.36Å; M16-I20 HydrophobicContact CE-CG1 3.9Å; I20-F43 HydrophobicContact CG2-CB 4.08Å; I20-F43 HydrophobicContact CG2-CD1 3.77Å; I20-F43 HydrophobicContact CG2-CG 4.2Å; I20-N61 HydrophobicContact CD1-CB 4.11Å; I20-L63 HydrophobicContact CD1-CD1 3.62Å; I20-L63 HydrophobicContact CD1-CD2 3.55Å; I20-L63 HydrophobicContact CD1-CG 3.82Å; I20-R428 HydrophobicContact CB-CG 4.31Å; I20-R428 HydrophobicContact CD1-CG 4.26Å; I20-R428 HydrophobicContact CG2-CG 4.03Å; I20-Q429 PolarHBondContact O-NE2 2.96Å
21	P	98.3	Very high	97.3	Very high	33 Å²	33	64.4 Å²	64.4	21%	0.214	37%	0.369	C	S	.	.	S	Bend	cis	-65	148	-5.8	29.6	-37	0	0	0	112.1	S19 E26 F43	S19-P21 CarbonylContact C-O 3.58Å; S19-P21 CarbonylContact O-C 3.56Å; P21-E26 HydrophobicContact CB-CG 4.13Å; P21-E26 HydrophobicContact CG-CG 3.89Å; P21-E26 WeakPolarHBondContact CG-OE1 3.37Å; P21-F43 HydrophobicContact CB-CB 4.49Å
22	G	98.5	Very high	97.6	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.01	37%	0.368	C	S	.	.			trans	-84.7	175.3	172.3	0	0	0	0	0	111.8	S19 K24 S25 E26 D59	S19-G22 WeakPolarHBondContact O-CA 3.27Å; S19-G22 PolarHBondContact O-N 3.24Å; G22-K24 VanDerWaalsContact C-N 3.3Å; G22-K24 PolarHBondContact O-N 3.36Å; G22-S25 WeakPolarHBondContact O-CB 3.41Å; G22-S25 PolarHBondContact O-N 3.16Å; G22-E26 PolarHBondContact O-N 2.98Å; G22-D59 VanDerWaalsContact CA-OD2 3.3Å; G22-D59 WeakPolarHBondContact CA-OD2 3.2Å; G22-D59 PolarHBondContact N-OD2 3.23Å
23	P	98.6	Very high	98	Very high	92 Å²	92	62.2 Å²	62.2	60%	0.597	35%	0.351	S	S	*	.	H	α-helix	trans	-59.3	-35.2	-174.8	23.3	-34.1	0	0	0	113.8	S27 D59	P23-S27 PolarHBondContact O-N 3.14Å; P23-D59 VanDerWaalsContact CD-OD1 3.23Å; P23-D59 WeakPolarHBondContact CD-OD1 3.47Å
24	K	98.7	Very high	98.2	Very high	129 Å²	129	68.1 Å²	68.1	56%	0.561	37%	0.372	S	S	*	.	H	α-helix	trans	-71.4	-45.4	176.6	-65.8	176.3	177.6	178.7	0	111	G22 E26 S27 M28 V58 D59	G22-K24 VanDerWaalsContact C-N 3.3Å; G22-K24 PolarHBondContact O-N 3.36Å; K24-E26 VanDerWaalsContact C-N 3.26Å; K24-E26 PolarHBondContact O-N 2.83Å; K24-S27 PolarHBondContact O-N 3.08Å; K24-M28 WeakPolarHBondContact O-CG 3.49Å; K24-M28 PolarHBondContact O-N 2.67Å; K24-V58 HydrophobicContact CB-CG2 3.87Å; K24-V58 VanDerWaalsContact CD-O 3.27Å; K24-V58 WeakPolarHBondContact CD-O 3.47Å; K24-D59 VanDerWaalsContact CB-OD1 3.27Å; K24-D59 WeakPolarHBondContact CB-OD1 3.47Å; K24-D59 PolarHBondContact N-OD1 3.02Å
25	S	98.6	Very high	98.3	Very high	2 Å²	2	74 Å²	74	1%	0.014	40%	0.401	C	S	.	.	H	α-helix	trans	-56.7	-41.7	174.8	-66.7	0	0	0	0	111.8	G22 M28 R29 F44 V58 D59	G22-S25 WeakPolarHBondContact O-CB 3.41Å; G22-S25 PolarHBondContact O-N 3.16Å; S25-M28 PolarHBondContact O-N 2.71Å; S25-R29 WeakPolarHBondContact O-CB 3.44Å; S25-R29 PolarHBondContact O-N 3.41Å; S25-F44 WeakPolarHBondContact O-CD2 3.39Å; S25-F44 PolarHBondContact OG-N 2.81Å; S25-V58 VanDerWaalsContact OG-CG2 3.29Å; S25-V58 WeakPolarHBondContact OG-CG2 3.13Å; S25-D59 VanDerWaalsContact CB-OD2 3.3Å; S25-D59 WeakPolarHBondContact CB-OD2 3.22Å; S25-D59 PolarHBondContact N-OD2 2.95Å; S25-D59 PolarHBondContact OG-OD2 3.35Å
26	E	98.5	Very high	98.3	Very high	71 Å²	71	77.3 Å²	77.3	33%	0.332	41%	0.408	S	S	.	.	H	α-helix	trans	-64.6	-45.6	176.4	-77.2	-69	-176.7	0	0	112.5	P21 G22 K24 M28 R29 A30	P21-E26 HydrophobicContact CB-CG 4.13Å; P21-E26 HydrophobicContact CG-CG 3.89Å; P21-E26 WeakPolarHBondContact CG-OE1 3.37Å; G22-E26 PolarHBondContact O-N 2.98Å; K24-E26 VanDerWaalsContact C-N 3.26Å; K24-E26 PolarHBondContact O-N 2.83Å; E26-M28 VanDerWaalsContact C-N 3.35Å; E26-M28 PolarHBondContact O-N 3.26Å; E26-R29 PolarHBondContact O-N 2.91Å; E26-R29 IonicContact OE1-CZ 3.42Å; E26-R29 IonicContact OE1-NH2 3.86Å; E26-R29 PolarHBondContact OE1-NH2 3.44Å; E26-R29 IonicContact OE2-CZ 3.38Å; E26-R29 IonicContact OE2-NE 3.21Å; E26-R29 PolarHBondContact OE2-NE 3Å; E26-R29 VanDerWaalsContact OE2-NE 3.12Å; E26-R29 IonicContact OE2-NH2 3.65Å; E26-R29 PolarHBondContact OE2-NH2 3.04Å; E26-A30 PolarHBondContact O-N 2.71Å
27	S	98.6	Very high	98.3	Very high	82 Å²	82	79.5 Å²	79.5	57%	0.573	42%	0.421	S	S	*	.	H	α-helix	trans	-58.4	-45.7	175.4	-173.3	0	0	0	0	111.9	P23 K24 R29 A30 E31	P23-S27 PolarHBondContact O-N 3.14Å; K24-S27 PolarHBondContact O-N 3.08Å; S27-R29 VanDerWaalsContact C-N 3.32Å; S27-R29 PolarHBondContact O-N 2.93Å; S27-A30 WeakPolarHBondContact O-CB 3.46Å; S27-A30 PolarHBondContact O-N 3.28Å; S27-E31 PolarHBondContact O-N 2.91Å; S27-E31 VanDerWaalsContact O-N 3.08Å
28	M	98.6	Very high	98.2	Very high	71 Å²	71	72.1 Å²	72.1	35%	0.35	39%	0.389	S	S	.	.	H	α-helix	trans	-68.1	-32.4	178.5	-66.1	179.1	81.8	0	0	112.1	K24 S25 E26 E31 L32 F44 V58	K24-M28 WeakPolarHBondContact O-CG 3.49Å; K24-M28 PolarHBondContact O-N 2.67Å; S25-M28 PolarHBondContact O-N 2.71Å; E26-M28 VanDerWaalsContact C-N 3.35Å; E26-M28 PolarHBondContact O-N 3.26Å; M28-E31 PolarHBondContact O-N 3.21Å; M28-L32 WeakPolarHBondContact O-CB 3.24Å; M28-L32 PolarHBondContact O-N 2.75Å; M28-F44 VanDerWaalsContact C-CE2 3.43Å; M28-F44 HydrophobicContact CB-CD1 3.94Å; M28-F44 HydrophobicContact CB-CD2 3.6Å; M28-F44 HydrophobicContact CB-CE1 3.88Å; M28-F44 HydrophobicContact CB-CE2 3.56Å; M28-F44 HydrophobicContact CB-CG 3.8Å; M28-F44 HydrophobicContact CB-CZ 3.69Å; M28-F44 HydrophobicContact CE-CB 4.5Å; M28-F44 HydrophobicContact CE-CD1 3.66Å; M28-F44 HydrophobicContact CE-CE1 4.15Å; M28-F44 HydrophobicContact CE-CG 4.2Å; M28-F44 WeakPolarHBondContact O-CZ 3.36Å; M28-F44 HydrophobicContact SD-CB 3.98Å; M28-F44 HydrophobicContact SD-CD1 4.05Å; M28-F44 HydrophobicContact SD-CG 3.96Å; M28-V58 HydrophobicContact SD-CB 4.38Å; M28-V58 HydrophobicContact SD-CG1 4.06Å; M28-V58 HydrophobicContact SD-CG2 4.04Å
29	R	98.3	Very high	98.2	Very high	77 Å²	77	77.5 Å²	77.5	29%	0.291	41%	0.411	S	S	.	.	H	α-helix	trans	-66.4	-41.8	174.2	-173.4	173.7	66.5	160.3	3.2	110.8	S25 E26 S27 E31 L32 S33 A38 V41 F44	S25-R29 WeakPolarHBondContact O-CB 3.44Å; S25-R29 PolarHBondContact O-N 3.41Å; E26-R29 PolarHBondContact O-N 2.91Å; E26-R29 IonicContact OE1-CZ 3.42Å; E26-R29 IonicContact OE1-NH2 3.86Å; E26-R29 PolarHBondContact OE1-NH2 3.44Å; E26-R29 IonicContact OE2-CZ 3.38Å; E26-R29 IonicContact OE2-NE 3.21Å; E26-R29 PolarHBondContact OE2-NE 3Å; E26-R29 VanDerWaalsContact OE2-NE 3.12Å; E26-R29 IonicContact OE2-NH2 3.65Å; E26-R29 PolarHBondContact OE2-NH2 3.04Å; S27-R29 VanDerWaalsContact C-N 3.32Å; S27-R29 PolarHBondContact O-N 2.93Å; R29-E31 VanDerWaalsContact C-N 3.34Å; R29-L32 PolarHBondContact O-N 3.07Å; R29-S33 WeakPolarHBondContact O-CB 3.48Å; R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 3.45Å; R29-A38 HydrophobicContact CG-CB 4.11Å; R29-V41 HydrophobicContact CG-CB 4.47Å; R29-F44 HydrophobicContact CB-CE2 3.94Å
30	A	98.4	Very high	98.1	Very high	57 Å²	57	79.4 Å²	79.4	47%	0.471	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-42.5	176	0	0	0	0	0	111.5	E26 S27 S33	E26-A30 PolarHBondContact O-N 2.71Å; S27-A30 WeakPolarHBondContact O-CB 3.46Å; S27-A30 PolarHBondContact O-N 3.28Å; A30-S33 WeakPolarHBondContact O-CB 3.41Å; A30-S33 PolarHBondContact O-N 3.43Å
31	E	98.5	Very high	98.1	Very high	130 Å²	130	80.5 Å²	80.5	61%	0.607	43%	0.427	S	S	*	.	H	α-helix	trans	-60.9	-49.8	173.1	-173.9	-177.8	172.2	0	0	111.7	S27 M28 R29 S33 Q34	S27-E31 PolarHBondContact O-N 2.91Å; S27-E31 VanDerWaalsContact O-N 3.08Å; M28-E31 PolarHBondContact O-N 3.21Å; R29-E31 VanDerWaalsContact C-N 3.34Å; E31-S33 PolarHBondContact O-N 2.91Å; E31-Q34 WeakPolarHBondContact O-CB 3.15Å; E31-Q34 PolarHBondContact O-N 3.25Å
32	L	98.3	Very high	98	Very high	39 Å²	39	83.4 Å²	83.4	20%	0.204	44%	0.438	C	S	.	.	H	α-helix	trans	-60.8	-34.9	178.8	-169.2	62.7	0	0	0	112.4	M28 R29 Q34 I35 Q36 A38 V41 F44	M28-L32 WeakPolarHBondContact O-CB 3.24Å; M28-L32 PolarHBondContact O-N 2.75Å; R29-L32 PolarHBondContact O-N 3.07Å; L32-Q34 PolarHBondContact O-N 3.3Å; L32-I35 HydrophobicContact CD1-CD1 3.93Å; L32-I35 HydrophobicContact CD1-CG1 4.06Å; L32-I35 WeakPolarHBondContact O-CG1 3.37Å; L32-I35 PolarHBondContact O-N 3.44Å; L32-I35 VanDerWaalsContact O-N 3.09Å; L32-Q36 HydrophobicContact CD1-CG 4.04Å; L32-Q36 HydrophobicContact CG-CG 4.04Å; L32-Q36 PolarHBondContact O-N 3.36Å; L32-Q36 VanDerWaalsContact O-O 3.05Å; L32-A38 HydrophobicContact CB-CB 4.1Å; L32-A38 HydrophobicContact CD2-CB 3.94Å; L32-A38 HydrophobicContact CG-CB 4.01Å; L32-V41 HydrophobicContact CD2-CG2 3.99Å; L32-F44 HydrophobicContact CB-CZ 4.11Å; L32-F44 HydrophobicContact CD2-CZ 3.92Å
33	S	98.1	Very high	98	Very high	65 Å²	65	84.6 Å²	84.6	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-19.7	178.4	-59.8	0	0	0	0	113.1	R29 A30 E31 I35 Q36 A38	R29-S33 WeakPolarHBondContact O-CB 3.48Å; R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 3.45Å; A30-S33 WeakPolarHBondContact O-CB 3.41Å; A30-S33 PolarHBondContact O-N 3.43Å; E31-S33 PolarHBondContact O-N 2.91Å; S33-I35 VanDerWaalsContact C-N 3.32Å; S33-Q36 CarbonylContact C-O 3.44Å; S33-Q36 VanDerWaalsContact CA-O 3.26Å; S33-Q36 WeakPolarHBondContact CA-O 3.43Å; S33-A38 WeakPolarHBondContact OG-CB 3.18Å
34	Q	98.2	Very high	98	Very high	165 Å²	165	82.2 Å²	82.2	77%	0.771	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-23.8	175.7	-60.3	-177.6	-1.8	0	0	112.8	E31 L32	E31-Q34 WeakPolarHBondContact O-CB 3.15Å; E31-Q34 PolarHBondContact O-N 3.25Å; L32-Q34 PolarHBondContact O-N 3.3Å
35	I	97.7	Very high	98	Very high	139 Å²	139	77.4 Å²	77.4	71%	0.713	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-22.7	-174.4	60.1	171.9	0	0	0	113.3	L32 S33	L32-I35 HydrophobicContact CD1-CD1 3.93Å; L32-I35 HydrophobicContact CD1-CG1 4.06Å; L32-I35 WeakPolarHBondContact O-CG1 3.37Å; L32-I35 PolarHBondContact O-N 3.44Å; L32-I35 VanDerWaalsContact O-N 3.09Å; S33-I35 VanDerWaalsContact C-N 3.32Å
36	Q	97.6	Very high	98	Very high	117 Å²	117	78.8 Å²	78.8	55%	0.547	42%	0.415	S	S	.	.	S	Bend	trans	-158.3	164.1	175.5	63.4	-175.6	-29.7	0	0	111.1	L32 S33 A38	L32-Q36 HydrophobicContact CD1-CG 4.04Å; L32-Q36 HydrophobicContact CG-CG 4.04Å; L32-Q36 PolarHBondContact O-N 3.36Å; L32-Q36 VanDerWaalsContact O-O 3.05Å; S33-Q36 CarbonylContact C-O 3.44Å; S33-Q36 VanDerWaalsContact CA-O 3.26Å; S33-Q36 WeakPolarHBondContact CA-O 3.43Å; Q36-A38 PolarHBondContact O-N 3.13Å
37	N	97.9	Very high	98	Very high	112 Å²	112	81 Å²	81	60%	0.599	42%	0.421	S	S	*	.			trans	-63.4	119.6	171.6	-176.8	-43.8	0	0	0	110.2	E39	N37-E39 WeakPolarHBondContact OD1-CB 3.32Å; N37-E39 WeakPolarHBondContact OD1-CG 3.49Å; N37-E39 PolarHBondContact OD1-N 3.22Å
38	A	97.6	Very high	98	Very high	2 Å²	2	85.4 Å²	85.4	2%	0.017	43%	0.433	C	S	.	.			trans	-111.9	15	-179.5	0	0	0	0	0	113.7	R29 L32 S33 Q36 T40 V41	R29-A38 HydrophobicContact CG-CB 4.11Å; L32-A38 HydrophobicContact CB-CB 4.1Å; L32-A38 HydrophobicContact CD2-CB 3.94Å; L32-A38 HydrophobicContact CG-CB 4.01Å; S33-A38 WeakPolarHBondContact OG-CB 3.18Å; Q36-A38 PolarHBondContact O-N 3.13Å; A38-T40 PolarHBondContact O-N 3.34Å; A38-T40 VanDerWaalsContact O-N 3.13Å; A38-V41 HydrophobicContact CB-CG2 4.09Å; A38-V41 WeakPolarHBondContact O-CB 3.45Å; A38-V41 WeakPolarHBondContact O-CG2 3.5Å; A38-V41 PolarHBondContact O-N 3.03Å
39	E	96.8	Very high	97.9	Very high	159 Å²	159	88.7 Å²	88.7	74%	0.743	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.6	-176.8	-69.5	-178.6	-179.3	0	0	113.4	N37 V41	N37-E39 WeakPolarHBondContact OD1-CB 3.32Å; N37-E39 WeakPolarHBondContact OD1-CG 3.49Å; N37-E39 PolarHBondContact OD1-N 3.22Å; E39-V41 VanDerWaalsContact C-N 3.31Å
40	T	95.8	Very high	97.9	Very high	116 Å²	116	85.1 Å²	85.1	71%	0.712	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.3	179.1	62.3	0	0	0	0	113.3	A38 Q42	A38-T40 PolarHBondContact O-N 3.34Å; A38-T40 VanDerWaalsContact O-N 3.13Å; T40-Q42 PolarHBondContact O-N 3.44Å; T40-Q42 PolarHBondContact O-NE2 3.16Å
41	V	97.7	Very high	97.9	Very high	32 Å²	32	84.3 Å²	84.3	19%	0.194	42%	0.419	C	S	.	.			trans	-69.5	120.1	-178.2	179.5	0	0	0	0	110.2	R29 L32 A38 E39 F44	R29-V41 HydrophobicContact CG-CB 4.47Å; L32-V41 HydrophobicContact CD2-CG2 3.99Å; A38-V41 HydrophobicContact CB-CG2 4.09Å; A38-V41 WeakPolarHBondContact O-CB 3.45Å; A38-V41 WeakPolarHBondContact O-CG2 3.5Å; A38-V41 PolarHBondContact O-N 3.03Å; E39-V41 VanDerWaalsContact C-N 3.31Å; V41-F44 HydrophobicContact CG1-CD2 4.07Å; V41-F44 HydrophobicContact CG1-CE2 3.78Å; V41-F44 HydrophobicContact CG1-CZ 4.44Å
42	Q	97.3	Very high	97.8	Very high	93 Å²	93	78.1 Å²	78.1	44%	0.435	39%	0.39	S	S	.	.			trans	-84.1	-41.6	179.9	-56.5	-61.2	-66.9	0	0	112.3	T40	T40-Q42 PolarHBondContact O-N 3.44Å; T40-Q42 PolarHBondContact O-NE2 3.16Å
43	F	98.4	Very high	97.8	Very high	26 Å²	26	76.3 Å²	76.3	11%	0.114	38%	0.381	C	S	.	.			trans	-168.6	165.4	175.6	54.6	-92.6	0	0	0	108.2	I20 P21 A45 I55 D57	I20-F43 HydrophobicContact CG2-CB 4.08Å; I20-F43 HydrophobicContact CG2-CD1 3.77Å; I20-F43 HydrophobicContact CG2-CG 4.2Å; P21-F43 HydrophobicContact CB-CB 4.49Å; F43-A45 HydrophobicContact CE2-CB 4.35Å; F43-I55 HydrophobicContact CE2-CD1 3.92Å; F43-I55 HydrophobicContact CE2-CG1 4.34Å; F43-I55 HydrophobicContact CZ-CD1 4.05Å; F43-I55 HydrophobicContact CZ-CG2 4.16Å; F43-D57 HydrophobicContact CD2-CB 3.66Å; F43-D57 HydrophobicContact CE2-CB 4.23Å; F43-D57 HydrophobicContact CG-CB 4.34Å
44	F	98.7	Very high	97.8	Very high	42 Å²	42	73.3 Å²	73.3	18%	0.184	36%	0.359	C	S	.	.			trans	-91.9	125.3	172	-79.7	-104.8	0	0	0	109.4	S25 M28 R29 L32 V41 D57 V58	S25-F44 WeakPolarHBondContact O-CD2 3.39Å; S25-F44 PolarHBondContact OG-N 2.81Å; M28-F44 VanDerWaalsContact C-CE2 3.43Å; M28-F44 HydrophobicContact CB-CD1 3.94Å; M28-F44 HydrophobicContact CB-CD2 3.6Å; M28-F44 HydrophobicContact CB-CE1 3.88Å; M28-F44 HydrophobicContact CB-CE2 3.56Å; M28-F44 HydrophobicContact CB-CG 3.8Å; M28-F44 HydrophobicContact CB-CZ 3.69Å; M28-F44 HydrophobicContact CE-CB 4.5Å; M28-F44 HydrophobicContact CE-CD1 3.66Å; M28-F44 HydrophobicContact CE-CE1 4.15Å; M28-F44 HydrophobicContact CE-CG 4.2Å; M28-F44 WeakPolarHBondContact O-CZ 3.36Å; M28-F44 HydrophobicContact SD-CB 3.98Å; M28-F44 HydrophobicContact SD-CD1 4.05Å; M28-F44 HydrophobicContact SD-CG 3.96Å; R29-F44 HydrophobicContact CB-CE2 3.94Å; L32-F44 HydrophobicContact CB-CZ 4.11Å; L32-F44 HydrophobicContact CD2-CZ 3.92Å; V41-F44 HydrophobicContact CG1-CD2 4.07Å; V41-F44 HydrophobicContact CG1-CE2 3.78Å; V41-F44 HydrophobicContact CG1-CZ 4.44Å; F44-D57 CarbonylContact O-C 3.3Å; F44-D57 VanDerWaalsContact O-CA 3.31Å; F44-D57 WeakPolarHBondContact O-CA 3.26Å; F44-D57 WeakPolarHBondContact O-CB 3.41Å; F44-V58 HydrophobicContact CB-CG1 3.87Å; F44-V58 HydrophobicContact CB-CG2 3.8Å; F44-V58 PolarHBondContact O-N 3.43Å
45	A	98.7	Very high	97.9	Very high	28 Å²	28	65.5 Å²	65.5	23%	0.231	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	140.9	-177.6	0	0	0	0	0	111.8	F43 Y47 I55 A56	F43-A45 HydrophobicContact CE2-CB 4.35Å; A45-Y47 HydrophobicContact CB-CD1 4.41Å; A45-Y47 HydrophobicContact CB-CD2 4.34Å; A45-Y47 HydrophobicContact CB-CE1 4.03Å; A45-Y47 HydrophobicContact CB-CE2 3.97Å; A45-I55 HydrophobicContact CB-CD1 3.98Å; A45-I55 HydrophobicContact CB-CG1 4.22Å; A45-A56 CarbonylContact C-O 3.58Å; A45-A56 WeakPolarHBondContact CA-O 3.46Å
46	D	98.6	Very high	97.9	Very high	31 Å²	31	59.1 Å²	59.1	17%	0.166	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	89.8	164.8	-174.5	-21.6	0	0	0	108.3	E48 K49 S50 A56	D46-E48 VanDerWaalsContact C-N 3.25Å; D46-E48 PolarHBondContact O-N 3.07Å; D46-E48 PolarHBondContact OD1-N 3.16Å; D46-K49 HydrophobicContact CB-CB 4.43Å; D46-K49 PolarHBondContact O-N 2.92Å; D46-K49 PolarHBondContact OD1-N 3.17Å; D46-K49 VanDerWaalsContact OD1-N 3.13Å; D46-K49 WeakPolarHBondContact OD2-CD 3.3Å; D46-K49 WeakPolarHBondContact OD2-CG 3.34Å; D46-K49 IonicContact OD2-NZ 2.68Å; D46-K49 PolarHBondContact OD2-NZ 2.88Å; D46-S50 PolarHBondContact O-N 3.48Å; D46-S50 VanDerWaalsContact O-N 3.16Å; D46-S50 PolarHBondContact O-OG 2.91Å; D46-A56 HydrophobicContact CB-CB 4.2Å; D46-A56 PolarHBondContact N-O 3.48Å
47	Y	98.4	Very high	98	Very high	118 Å²	118	53.6 Å²	53.6	46%	0.463	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	-24.3	-177.4	-69.2	-67	0	0	0	113.1	A45 K49 S50 Q69 Y77 N78	A45-Y47 HydrophobicContact CB-CD1 4.41Å; A45-Y47 HydrophobicContact CB-CD2 4.34Å; A45-Y47 HydrophobicContact CB-CE1 4.03Å; A45-Y47 HydrophobicContact CB-CE2 3.97Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; Y47-S50 PolarHBondContact O-N 3.39Å; Y47-Q69 PolarHBondContact OH-OE1 3.47Å; Y47-Y77 HydrophobicContact CD1-CD1 4.28Å; Y47-Y77 HydrophobicContact CD1-CE1 4.27Å; Y47-Y77 HydrophobicContact CE1-CE1 4.08Å; Y47-N78 PolarHBondContact O-ND2 2.72Å
48	E	97.5	Very high	98	Very high	175 Å²	175	49.9 Å²	49.9	82%	0.818	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	-37.2	176.8	-172.8	176.4	-176.9	0	0	111	D46 N78	D46-E48 VanDerWaalsContact C-N 3.25Å; D46-E48 PolarHBondContact O-N 3.07Å; D46-E48 PolarHBondContact OD1-N 3.16Å; E48-N78 PolarHBondContact O-ND2 3Å
49	K	97.6	Very high	98.1	Very high	139 Å²	139	50.6 Å²	50.6	60%	0.604	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	-7.2	176.6	-63.3	-163	-170.3	90.6	0	115	D46 Y47 A56	D46-K49 HydrophobicContact CB-CB 4.43Å; D46-K49 PolarHBondContact O-N 2.92Å; D46-K49 PolarHBondContact OD1-N 3.17Å; D46-K49 VanDerWaalsContact OD1-N 3.13Å; D46-K49 WeakPolarHBondContact OD2-CD 3.3Å; D46-K49 WeakPolarHBondContact OD2-CG 3.34Å; D46-K49 IonicContact OD2-NZ 2.68Å; D46-K49 PolarHBondContact OD2-NZ 2.88Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; K49-A56 HydrophobicContact CB-CB 3.74Å
50	S	98.3	Very high	98.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	147	176.5	-61.1	0	0	0	0	110.9	D46 Y47 Y54 A56 N78	D46-S50 PolarHBondContact O-N 3.48Å; D46-S50 VanDerWaalsContact O-N 3.16Å; D46-S50 PolarHBondContact O-OG 2.91Å; Y47-S50 PolarHBondContact O-N 3.39Å; S50-Y54 CarbonylContact C-O 3.34Å; S50-Y54 WeakPolarHBondContact CA-O 3.3Å; S50-Y54 WeakPolarHBondContact CB-O 3.3Å; S50-A56 PolarHBondContact OG-N 3.08Å; S50-N78 PolarHBondContact O-ND2 2.76Å
51	I	97.5	Very high	98.3	Very high	41 Å²	41	38.8 Å²	38.8	21%	0.21	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	130.8	-177.1	-174.1	168.3	0	0	0	111.3	F7 N9 P11 N53 Y54	F7-I51 HydrophobicContact CD1-CD1 4.16Å; F7-I51 HydrophobicContact CD1-CG1 3.55Å; F7-I51 HydrophobicContact CE1-CG1 4.07Å; F7-I51 HydrophobicContact CG-CG1 4.4Å; N9-I51 HydrophobicContact CB-CD1 4.21Å; P11-I51 HydrophobicContact CG-CG2 4.25Å; I51-N53 PolarHBondContact O-N 3.01Å; I51-Y54 PolarHBondContact N-O 3.43Å; I51-Y54 WeakPolarHBondContact O-CA 3.31Å; I51-Y54 WeakPolarHBondContact O-CB 3.4Å; I51-Y54 PolarHBondContact O-N 3.28Å
52	G	97.5	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	57.2	-120.9	176.2	0	0	0	0	0	112	E10 Y54 G76 Y77	E10-G52 WeakPolarHBondContact OE1-CA 3.5Å; G52-Y54 VanDerWaalsContact C-N 3.3Å; G52-G76 CarbonylContact O-C 3.56Å; G52-G76 WeakPolarHBondContact O-CA 3.41Å; G52-Y77 PolarHBondContact N-O 2.83Å; G52-Y77 WeakPolarHBondContact O-CD2 3.32Å; G52-Y77 PolarHBondContact O-N 2.84Å
53	N	98.1	Very high	98.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.5	177	-60.5	-78.6	0	0	0	113.2	E10 I51 L64 D65 I449 F450 H454	E10-N53 WeakPolarHBondContact OE1-CB 3.19Å; E10-N53 PolarHBondContact OE1-N 3.26Å; E10-N53 PolarHBondContact OE1-ND2 3.08Å; I51-N53 PolarHBondContact O-N 3.01Å; N53-L64 HydrophobicContact CB-CD1 3.72Å; N53-D65 PolarHBondContact O-N 3.04Å; N53-I449 WeakPolarHBondContact ND2-CD1 3.33Å; N53-F450 HydrophobicContact CB-CD2 4.4Å; N53-H454 PolarHBondContact ND2-CE1 3.12Å; N53-H454 PolarHBondContact ND2-NE2 3.09Å
54	Y	98.6	Very high	98.4	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.5	-176.4	-66.8	-96	0	0	0	112.4	E10 P11 P14 S50 I51 G52 L62 L63 L64 Y77 H454	E10-Y54 HydrophobicContact CG-CD2 3.62Å; E10-Y54 HydrophobicContact CG-CE2 3.64Å; P11-Y54 HydrophobicContact CB-CD2 4.49Å; P11-Y54 HydrophobicContact CB-CE1 4.38Å; P11-Y54 HydrophobicContact CB-CE2 4.38Å; P11-Y54 HydrophobicContact CG-CD1 4.38Å; P11-Y54 HydrophobicContact CG-CD2 4.14Å; P11-Y54 HydrophobicContact CG-CG 4.07Å; P11-Y54 WeakPolarHBondContact O-CE2 3.34Å; P11-Y54 VanDerWaalsContact O-CZ 3.28Å; P11-Y54 PolarHBondContact O-OH 3.22Å; P14-Y54 HydrophobicContact CG-CE1 4.19Å; S50-Y54 CarbonylContact C-O 3.34Å; S50-Y54 WeakPolarHBondContact CA-O 3.3Å; S50-Y54 WeakPolarHBondContact CB-O 3.3Å; I51-Y54 PolarHBondContact N-O 3.43Å; I51-Y54 WeakPolarHBondContact O-CA 3.31Å; I51-Y54 WeakPolarHBondContact O-CB 3.4Å; I51-Y54 PolarHBondContact O-N 3.28Å; G52-Y54 VanDerWaalsContact C-N 3.3Å; Y54-L62 HydrophobicContact CD1-CG 4.14Å; Y54-L62 HydrophobicContact CG-CG 4.34Å; Y54-L63 CarbonylContact C-O 3.53Å; Y54-L63 WeakPolarHBondContact CA-O 3.35Å; Y54-L64 HydrophobicContact CD1-CB 4.33Å; Y54-L64 HydrophobicContact CE1-CB 3.93Å; Y54-L64 HydrophobicContact CE1-CD1 4.35Å; Y54-L64 HydrophobicContact CE2-CD1 4.22Å; Y54-Y77 WeakPolarHBondContact O-CD2 3.44Å; Y54-H454 AromaticContact CE2-NE2 3.98Å
55	I	98.7	Very high	98.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.8	172.7	-169.1	173	0	0	0	109.8	F43 A45 L63 D65 Y77	F43-I55 HydrophobicContact CE2-CD1 3.92Å; F43-I55 HydrophobicContact CE2-CG1 4.34Å; F43-I55 HydrophobicContact CZ-CD1 4.05Å; F43-I55 HydrophobicContact CZ-CG2 4.16Å; A45-I55 HydrophobicContact CB-CD1 3.98Å; A45-I55 HydrophobicContact CB-CG1 4.22Å; I55-L63 HydrophobicContact CG2-CB 4Å; I55-L63 PolarHBondContact N-O 3.19Å; I55-L63 PolarHBondContact O-N 3.44Å; I55-D65 HydrophobicContact CB-CB 4.21Å; I55-D65 HydrophobicContact CG2-CB 3.85Å; I55-Y77 HydrophobicContact CB-CE2 3.84Å; I55-Y77 HydrophobicContact CG1-CE2 4.42Å
56	A	98.6	Very high	98.4	Very high	5 Å²	5	29.7 Å²	29.7	4%	0.041	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	144.4	172.6	0	0	0	0	0	110.3	A45 D46 K49 S50 N61 L62	A45-A56 CarbonylContact C-O 3.58Å; A45-A56 WeakPolarHBondContact CA-O 3.46Å; D46-A56 HydrophobicContact CB-CB 4.2Å; D46-A56 PolarHBondContact N-O 3.48Å; K49-A56 HydrophobicContact CB-CB 3.74Å; S50-A56 PolarHBondContact OG-N 3.08Å; A56-N61 CarbonylContact C-O 3.59Å; A56-N61 VanDerWaalsContact CA-O 3.24Å; A56-N61 WeakPolarHBondContact CA-O 3.28Å; A56-L62 HydrophobicContact CB-CD1 3.84Å
57	D	98.8	Very high	98.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	168.7	166.3	77.6	6.2	0	0	0	111.8	F43 F44 D59 G60 N61	F43-D57 HydrophobicContact CD2-CB 3.66Å; F43-D57 HydrophobicContact CE2-CB 4.23Å; F43-D57 HydrophobicContact CG-CB 4.34Å; F44-D57 CarbonylContact O-C 3.3Å; F44-D57 VanDerWaalsContact O-CA 3.31Å; F44-D57 WeakPolarHBondContact O-CA 3.26Å; F44-D57 WeakPolarHBondContact O-CB 3.41Å; D57-D59 PolarHBondContact O-N 2.93Å; D57-D59 WeakPolarHBondContact OD1-CA 3.42Å; D57-D59 WeakPolarHBondContact OD1-CB 3.35Å; D57-D59 PolarHBondContact OD1-N 3.3Å; D57-G60 PolarHBondContact O-N 3.2Å; D57-G60 PolarHBondContact OD1-N 2.75Å; D57-N61 PolarHBondContact N-O 3Å; D57-N61 WeakPolarHBondContact OD1-CB 3.33Å; D57-N61 PolarHBondContact OD1-N 2.92Å; D57-N61 PolarHBondContact OD1-ND2 3.48Å; D57-N61 PolarHBondContact OD2-ND2 2.95Å
58	V	98.7	Very high	98.4	Very high	34 Å²	34	24.8 Å²	24.8	21%	0.206	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.7	-179.7	-66.2	0	0	0	0	113.7	K24 S25 M28 F44 G60	K24-V58 HydrophobicContact CB-CG2 3.87Å; K24-V58 VanDerWaalsContact CD-O 3.27Å; K24-V58 WeakPolarHBondContact CD-O 3.47Å; S25-V58 VanDerWaalsContact OG-CG2 3.29Å; S25-V58 WeakPolarHBondContact OG-CG2 3.13Å; M28-V58 HydrophobicContact SD-CB 4.38Å; M28-V58 HydrophobicContact SD-CG1 4.06Å; M28-V58 HydrophobicContact SD-CG2 4.04Å; F44-V58 HydrophobicContact CB-CG1 3.87Å; F44-V58 HydrophobicContact CB-CG2 3.8Å; F44-V58 PolarHBondContact O-N 3.43Å; V58-G60 VanDerWaalsContact C-N 3.28Å
59	D	98.8	Very high	98.4	Very high	18 Å²	18	19.4 Å²	19.4	10%	0.096	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.3	175.6	-65.1	-80.3	0	0	0	111.9	T18 G22 P23 K24 S25 D57	T18-D59 HydrophobicContact CG2-CB 4.26Å; G22-D59 VanDerWaalsContact CA-OD2 3.3Å; G22-D59 WeakPolarHBondContact CA-OD2 3.2Å; G22-D59 PolarHBondContact N-OD2 3.23Å; P23-D59 VanDerWaalsContact CD-OD1 3.23Å; P23-D59 WeakPolarHBondContact CD-OD1 3.47Å; K24-D59 VanDerWaalsContact CB-OD1 3.27Å; K24-D59 WeakPolarHBondContact CB-OD1 3.47Å; K24-D59 PolarHBondContact N-OD1 3.02Å; S25-D59 VanDerWaalsContact CB-OD2 3.3Å; S25-D59 WeakPolarHBondContact CB-OD2 3.22Å; S25-D59 PolarHBondContact N-OD2 2.95Å; S25-D59 PolarHBondContact OG-OD2 3.35Å; D57-D59 PolarHBondContact O-N 2.93Å; D57-D59 WeakPolarHBondContact OD1-CA 3.42Å; D57-D59 WeakPolarHBondContact OD1-CB 3.35Å; D57-D59 PolarHBondContact OD1-N 3.3Å
60	G	98.2	Very high	98.5	Very high	26 Å²	26	16.3 Å²	16.3	27%	0.268	9%	0.089	S	C	.	.	S	Bend	trans	85.5	15.1	175.5	0	0	0	0	0	113.9	K17 D57 V58	K17-G60 WeakPolarHBondContact CD-O 3.27Å; K17-G60 WeakPolarHBondContact CE-O 3.23Å; D57-G60 PolarHBondContact O-N 3.2Å; D57-G60 PolarHBondContact OD1-N 2.75Å; V58-G60 VanDerWaalsContact C-N 3.28Å
61	N	98.8	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.			trans	-72	149.7	165.2	-55.4	-63.7	0	0	0	109.6	A15 M16 K17 T18 I20 A56 D57 L63	A15-N61 CarbonylContact O-C 3.39Å; A15-N61 WeakPolarHBondContact O-CA 3.4Å; M16-N61 HydrophobicContact CE-CB 4.14Å; M16-N61 HydrophobicContact SD-CB 4.28Å; K17-N61 PolarHBondContact N-OD1 3.46Å; T18-N61 PolarHBondContact N-OD1 2.94Å; T18-N61 PolarHBondContact O-OD1 3.13Å; T18-N61 PolarHBondContact OG1-ND2 3.31Å; I20-N61 HydrophobicContact CD1-CB 4.11Å; A56-N61 CarbonylContact C-O 3.59Å; A56-N61 VanDerWaalsContact CA-O 3.24Å; A56-N61 WeakPolarHBondContact CA-O 3.28Å; D57-N61 PolarHBondContact N-O 3Å; D57-N61 WeakPolarHBondContact OD1-CB 3.33Å; D57-N61 PolarHBondContact OD1-N 2.92Å; D57-N61 PolarHBondContact OD1-ND2 3.48Å; D57-N61 PolarHBondContact OD2-ND2 2.95Å; N61-L63 HydrophobicContact CB-CD1 3.98Å
62	L	98.4	Very high	98.5	Very high	29 Å²	29	15.8 Å²	15.8	15%	0.152	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	111.4	176.5	-169.5	61.4	0	0	0	109	P11 P14 A15 Y54 A56	P11-L62 HydrophobicContact CB-CD2 4.19Å; P11-L62 HydrophobicContact CG-CD2 3.31Å; P11-L62 HydrophobicContact CG-CG 4.34Å; P14-L62 CarbonylContact C-O 3.32Å; P14-L62 WeakPolarHBondContact CA-O 3.21Å; P14-L62 WeakPolarHBondContact CB-O 3.43Å; A15-L62 HydrophobicContact CB-CB 4.22Å; A15-L62 PolarHBondContact N-O 2.91Å; A15-L62 PolarHBondContact O-N 2.91Å; Y54-L62 HydrophobicContact CD1-CG 4.14Å; Y54-L62 HydrophobicContact CG-CG 4.34Å; A56-L62 HydrophobicContact CB-CD1 3.84Å
63	L	98.8	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139	-171.7	-59.7	77.8	0	0	0	110.8	M16 I20 Y54 I55 N61 D65 R428 G431 N433	M16-L63 HydrophobicContact SD-CG 4.48Å; I20-L63 HydrophobicContact CD1-CD1 3.62Å; I20-L63 HydrophobicContact CD1-CD2 3.55Å; I20-L63 HydrophobicContact CD1-CG 3.82Å; Y54-L63 CarbonylContact C-O 3.53Å; Y54-L63 WeakPolarHBondContact CA-O 3.35Å; I55-L63 HydrophobicContact CG2-CB 4Å; I55-L63 PolarHBondContact N-O 3.19Å; I55-L63 PolarHBondContact O-N 3.44Å; N61-L63 HydrophobicContact CB-CD1 3.98Å; L63-D65 PolarHBondContact O-N 3.36Å; L63-R428 HydrophobicContact CD2-CG 3.72Å; L63-G431 CarbonylContact C-O 3.58Å; L63-G431 VanDerWaalsContact CA-O 3.22Å; L63-G431 WeakPolarHBondContact CA-O 3.14Å; L63-N433 HydrophobicContact CD2-CB 4.21Å
64	L	98.7	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	115.2	166.2	179.7	56.2	0	0	0	109.4	P14 N53 Y54 G431 V432 N433 F450 H454 A457 I458	P14-L64 HydrophobicContact CG-CB 3.95Å; N53-L64 HydrophobicContact CB-CD1 3.72Å; Y54-L64 HydrophobicContact CD1-CB 4.33Å; Y54-L64 HydrophobicContact CE1-CB 3.93Å; Y54-L64 HydrophobicContact CE1-CD1 4.35Å; Y54-L64 HydrophobicContact CE2-CD1 4.22Å; L64-G431 PolarHBondContact N-O 3.2Å; L64-V432 CarbonylContact O-C 3.52Å; L64-V432 WeakPolarHBondContact O-CA 3.32Å; L64-N433 PolarHBondContact O-N 3.23Å; L64-F450 HydrophobicContact CD1-CE2 4.01Å; L64-F450 HydrophobicContact CD2-CE2 4.5Å; L64-F450 HydrophobicContact CG-CE2 4.36Å; L64-H454 HydrophobicContact CD1-CB 4.35Å; L64-H454 HydrophobicContact CD2-CB 4.24Å; L64-A457 HydrophobicContact CD2-CB 3.93Å; L64-I458 HydrophobicContact CD2-CD1 4.17Å; L64-I458 HydrophobicContact CD2-CG1 3.56Å; L64-I458 HydrophobicContact CG-CD1 4.37Å; L64-I458 HydrophobicContact CG-CG1 4.19Å
65	D	98.8	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	101.7	-172.2	-173.5	17.4	0	0	0	112.2	N53 I55 L63 Y67 T68 Y77 N433	N53-D65 PolarHBondContact O-N 3.04Å; I55-D65 HydrophobicContact CB-CB 4.21Å; I55-D65 HydrophobicContact CG2-CB 3.85Å; L63-D65 PolarHBondContact O-N 3.36Å; D65-Y67 WeakPolarHBondContact OD1-CA 3.19Å; D65-Y67 PolarHBondContact OD1-N 2.75Å; D65-T68 VanDerWaalsContact CG-N 3.34Å; D65-T68 WeakPolarHBondContact O-CG2 3.43Å; D65-T68 PolarHBondContact OD1-N 3.34Å; D65-T68 VanDerWaalsContact OD2-CA 3.29Å; D65-T68 WeakPolarHBondContact OD2-CA 3.28Å; D65-T68 PolarHBondContact OD2-N 2.96Å; D65-Y77 HydrophobicContact CB-CE2 4.19Å; D65-Y77 PolarHBondContact OD2-OH 3.17Å; D65-N433 HydrophobicContact CB-CB 4.46Å; D65-N433 PolarHBondContact OD1-ND2 3.31Å
66	A	98.5	Very high	98.6	Very high	1 Å²	1	18 Å²	18	1%	0.008	10%	0.102	C	C	.	.	S	Bend	trans	-103.6	26.9	169.5	0	0	0	0	0	111.8	N433 L434 F444 R445 P446 F450 I458	A66-N433 CarbonylContact C-O 3.59Å; A66-N433 PolarHBondContact N-O 3.3Å; A66-L434 HydrophobicContact CB-CD2 3.79Å; A66-F444 HydrophobicContact CB-CD1 4.47Å; A66-R445 CarbonylContact C-O 3.35Å; A66-R445 CarbonylContact O-C 3.58Å; A66-R445 VanDerWaalsContact O-C 3.3Å; A66-R445 WeakPolarHBondContact O-CA 3.23Å; A66-R445 PolarHBondContact O-N 2.81Å; A66-P446 HydrophobicContact CB-CB 4.22Å; A66-F450 HydrophobicContact CB-CE2 4.34Å; A66-I458 HydrophobicContact CB-CD1 3.54Å
67	Y	98.7	Very high	98.5	Very high	46 Å²	46	18.3 Å²	18.3	18%	0.18	10%	0.102	C	C	.	.	S	Bend	trans	-116.1	-28.4	168.2	-169.3	-140.2	0	0	0	113.2	D65 Q69 I70 S71 N433 R443 R445	D65-Y67 WeakPolarHBondContact OD1-CA 3.19Å; D65-Y67 PolarHBondContact OD1-N 2.75Å; Y67-Q69 PolarHBondContact O-N 2.87Å; Y67-I70 HydrophobicContact CE1-CG1 3.89Å; Y67-I70 HydrophobicContact CE2-CB 4.48Å; Y67-I70 HydrophobicContact CE2-CG2 4.34Å; Y67-I70 PolarHBondContact O-N 2.88Å; Y67-S71 PolarHBondContact O-N 2.81Å; Y67-N433 PolarHBondContact N-O 2.95Å; Y67-R443 PolarHBondContact OH-NH2 2.99Å; Y67-R445 CarbonylContact C-O 3.43Å
68	T	98.4	Very high	98.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	47.4	55.1	169.6	66.8	0	0	0	0	114.9	D65 I70 S71 S72 I73 R445 A447	D65-T68 VanDerWaalsContact CG-N 3.34Å; D65-T68 WeakPolarHBondContact O-CG2 3.43Å; D65-T68 PolarHBondContact OD1-N 3.34Å; D65-T68 VanDerWaalsContact OD2-CA 3.29Å; D65-T68 WeakPolarHBondContact OD2-CA 3.28Å; D65-T68 PolarHBondContact OD2-N 2.96Å; T68-I70 VanDerWaalsContact C-N 3.34Å; T68-I70 PolarHBondContact O-N 2.88Å; T68-S71 PolarHBondContact O-N 3.26Å; T68-S72 PolarHBondContact O-N 3.26Å; T68-I73 PolarHBondContact O-N 2.97Å; T68-R445 WeakPolarHBondContact CB-O 3.32Å; T68-R445 WeakPolarHBondContact CG2-O 3.39Å; T68-R445 PolarHBondContact OG1-O 3.02Å; T68-A447 HydrophobicContact CG2-CB 4.21Å
69	Q	98.3	Very high	98.4	Very high	61 Å²	61	19.6 Å²	19.6	29%	0.285	11%	0.108	S	C	.	.	H	α-helix	trans	55	49.9	179.1	-50	-58.8	-41.4	0	0	111.4	Y47 Y67 S72 I73 Y77	Y47-Q69 PolarHBondContact OH-OE1 3.47Å; Y67-Q69 PolarHBondContact O-N 2.87Å; Q69-S72 WeakPolarHBondContact CB-OG 3.08Å; Q69-S72 WeakPolarHBondContact O-CB 3.5Å; Q69-S72 PolarHBondContact O-OG 3.18Å; Q69-I73 HydrophobicContact CB-CG1 4.09Å; Q69-I73 HydrophobicContact CG-CD1 4.09Å; Q69-I73 HydrophobicContact CG-CG1 3.67Å; Q69-Y77 HydrophobicContact CG-CE1 4.27Å; Q69-Y77 PolarHBondContact NE2-OH 3.2Å
70	I	98.4	Very high	98.2	Very high	74 Å²	74	21.7 Å²	21.7	38%	0.379	12%	0.123	S	C	.	.	H	α-helix	trans	61.7	51.7	-177.2	-37.9	-177	0	0	0	111.5	Y67 T68 S72 K327	Y67-I70 HydrophobicContact CE1-CG1 3.89Å; Y67-I70 HydrophobicContact CE2-CB 4.48Å; Y67-I70 HydrophobicContact CE2-CG2 4.34Å; Y67-I70 PolarHBondContact O-N 2.88Å; T68-I70 VanDerWaalsContact C-N 3.34Å; T68-I70 PolarHBondContact O-N 2.88Å; I70-S72 VanDerWaalsContact C-N 3.34Å; I70-S72 PolarHBondContact O-N 2.86Å; I70-K327 WeakPolarHBondContact O-CD 3.18Å; I70-K327 VanDerWaalsContact O-CE 3.28Å; I70-K327 WeakPolarHBondContact O-CE 3.45Å
71	S	98.6	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	56.3	41	-178.7	-159.6	0	0	0	0	113.6	Y67 T68 K328	Y67-S71 PolarHBondContact O-N 2.81Å; T68-S71 PolarHBondContact O-N 3.26Å; S71-K328 WeakPolarHBondContact O-CG 3.38Å; S71-K328 PolarHBondContact O-NZ 2.84Å; S71-K328 PolarHBondContact OG-NZ 3.3Å
72	S	98.8	Very high	97.9	Very high	32 Å²	32	24.1 Å²	24.1	22%	0.224	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-18.9	-178.6	69.6	0	0	0	0	115	T68 Q69 I70 P74	T68-S72 PolarHBondContact O-N 3.26Å; Q69-S72 WeakPolarHBondContact CB-OG 3.08Å; Q69-S72 WeakPolarHBondContact O-CB 3.5Å; Q69-S72 PolarHBondContact O-OG 3.18Å; I70-S72 VanDerWaalsContact C-N 3.34Å; I70-S72 PolarHBondContact O-N 2.86Å; S72-P74 VanDerWaalsContact O-CD 3.31Å; S72-P74 WeakPolarHBondContact O-CD 3.48Å
73	I	98.7	Very high	97.8	Very high	40 Å²	40	26.4 Å²	26.4	21%	0.205	14%	0.141	C	C	.	.			trans	-82.7	117.9	171.5	-53.3	-61.1	0	0	0	109.2	T68 Q69 G76 Y77 K328	T68-I73 PolarHBondContact O-N 2.97Å; Q69-I73 HydrophobicContact CB-CG1 4.09Å; Q69-I73 HydrophobicContact CG-CD1 4.09Å; Q69-I73 HydrophobicContact CG-CG1 3.67Å; I73-G76 WeakPolarHBondContact CG2-O 3.43Å; I73-Y77 HydrophobicContact CD1-CE1 4.32Å; I73-Y77 HydrophobicContact CG1-CE1 3.88Å; I73-K328 PolarHBondContact O-NZ 3.49Å
74	P	98.6	Very high	97.6	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.026	17%	0.172	C	C	.	.	S	Bend	trans	-81.8	-44.9	-174.8	28.5	-31.1	0	0	0	113.3	S72 K328 L330 V365 L448	S72-P74 VanDerWaalsContact O-CD 3.31Å; S72-P74 WeakPolarHBondContact O-CD 3.48Å; P74-K328 HydrophobicContact CB-CB 4.1Å; P74-K328 HydrophobicContact CB-CG 4.09Å; P74-L330 HydrophobicContact CG-CD2 4.07Å; P74-V365 HydrophobicContact CB-CG1 3.68Å; P74-V365 HydrophobicContact CB-CG2 4.44Å; P74-V365 HydrophobicContact CG-CB 4.35Å; P74-V365 HydrophobicContact CG-CG1 3.76Å; P74-V365 HydrophobicContact CG-CG2 3.6Å; P74-L448 WeakPolarHBondContact O-CB 3.48Å; P74-L448 WeakPolarHBondContact O-CG 3.4Å; P74-L448 PolarHBondContact O-N 3.41Å
75	I	98.2	Very high	97.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-128	29.3	-169.7	60.3	173.2	0	0	0	113.1	H79 L82 V365 A368 I369 L374 I449	I75-H79 HydrophobicContact CD1-CB 4.06Å; I75-H79 HydrophobicContact CG1-CB 4.1Å; I75-H79 PolarHBondContact O-CD2 3.48Å; I75-L82 HydrophobicContact CD1-CD1 4.04Å; I75-L82 HydrophobicContact CD1-CD2 4.26Å; I75-L82 HydrophobicContact CD1-CG 4.03Å; I75-L82 HydrophobicContact CG1-CD1 4.15Å; I75-V365 HydrophobicContact CD1-CB 4.46Å; I75-V365 HydrophobicContact CD1-CG2 3.98Å; I75-V365 HydrophobicContact CG1-CG2 4.18Å; I75-V365 HydrophobicContact CG2-CG1 4.24Å; I75-A368 HydrophobicContact CD1-CB 3.93Å; I75-I369 HydrophobicContact CG2-CG1 4.32Å; I75-L374 HydrophobicContact CG2-CD1 3.77Å; I75-I449 HydrophobicContact CB-CG2 4.19Å
76	G	98	Very high	97.3	Very high	6 Å²	6	37.5 Å²	37.5	6%	0.062	20%	0.196	C	C	.	.			trans	84.1	169.1	177.9	0	0	0	0	0	115.1	G52 I73	G52-G76 CarbonylContact O-C 3.56Å; G52-G76 WeakPolarHBondContact O-CA 3.41Å; I73-G76 WeakPolarHBondContact CG2-O 3.43Å
77	Y	98.3	Very high	97.1	Very high	11 Å²	11	44.3 Å²	44.3	4%	0.043	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-74.5	141.2	-179.7	-60.5	-72.4	0	0	0	111.2	F7 Y47 G52 Y54 I55 D65 Q69 I73 H79	F7-Y77 WeakPolarHBondContact CE1-O 3.4Å; F7-Y77 WeakPolarHBondContact CZ-O 3.46Å; Y47-Y77 HydrophobicContact CD1-CD1 4.28Å; Y47-Y77 HydrophobicContact CD1-CE1 4.27Å; Y47-Y77 HydrophobicContact CE1-CE1 4.08Å; G52-Y77 PolarHBondContact N-O 2.83Å; G52-Y77 WeakPolarHBondContact O-CD2 3.32Å; G52-Y77 PolarHBondContact O-N 2.84Å; Y54-Y77 WeakPolarHBondContact O-CD2 3.44Å; I55-Y77 HydrophobicContact CB-CE2 3.84Å; I55-Y77 HydrophobicContact CG1-CE2 4.42Å; D65-Y77 HydrophobicContact CB-CE2 4.19Å; D65-Y77 PolarHBondContact OD2-OH 3.17Å; Q69-Y77 HydrophobicContact CG-CE1 4.27Å; Q69-Y77 PolarHBondContact NE2-OH 3.2Å; I73-Y77 HydrophobicContact CD1-CE1 4.32Å; I73-Y77 HydrophobicContact CG1-CE1 3.88Å; Y77-H79 PolarHBondContact O-N 2.87Å
78	N	97	Very high	96.9	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	39.3	175.5	-64.8	-26	0	0	0	114.6	Y47 E48 S50 L83	Y47-N78 PolarHBondContact O-ND2 2.72Å; E48-N78 PolarHBondContact O-ND2 3Å; S50-N78 PolarHBondContact O-ND2 2.76Å; N78-L83 HydrophobicContact CB-CD1 4.3Å
79	H	97	Very high	96.4	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	27%	0.273	C	S	.	.			trans	-57.9	125.9	179.7	-167.9	-77.2	0	0	0	111.6	S6 F7 I75 Y77 D81 L82 L83	S6-H79 WeakPolarHBondContact CB-NE2 3.49Å; F7-H79 AromaticContact CE2-CD2 3.53Å; F7-H79 VanDerWaalsContact CZ-CA 3.44Å; F7-H79 HydrophobicContact CZ-CB 3.81Å; F7-H79 AromaticContact CZ-CD2 3.64Å; F7-H79 AromaticContact CZ-CG 3.98Å; I75-H79 HydrophobicContact CD1-CB 4.06Å; I75-H79 HydrophobicContact CG1-CB 4.1Å; I75-H79 PolarHBondContact O-CD2 3.48Å; Y77-H79 PolarHBondContact O-N 2.87Å; H79-D81 VanDerWaalsContact C-N 3.27Å; H79-D81 IonicContact CE1-OD2 2.87Å; H79-D81 PolarHBondContact CE1-OD2 3.36Å; H79-D81 VanDerWaalsContact CE1-OD2 3.25Å; H79-D81 PolarHBondContact ND1-N 3.37Å; H79-D81 IonicContact ND1-OD2 3.82Å; H79-D81 PolarHBondContact O-N 2.84Å; H79-D81 VanDerWaalsContact O-N 3.16Å; H79-L82 HydrophobicContact CB-CB 4.44Å; H79-L82 HydrophobicContact CB-CD1 4.25Å; H79-L82 HydrophobicContact CB-CG 4.09Å; H79-L82 PolarHBondContact O-N 3.1Å; H79-L83 PolarHBondContact O-N 3.25Å; H79-L83 VanDerWaalsContact O-N 3.07Å
80	P	95.1	Very high	95.8	Very high	62 Å²	62	54.2 Å²	54.2	40%	0.403	28%	0.283	S	S	.	.	H	α-helix	trans	-55.1	-39.5	-173.1	-29.4	35.4	0	0	0	114	S6 L82 L83 K84	S6-P80 WeakPolarHBondContact O-CG 3.28Å; P80-L82 VanDerWaalsContact C-N 3.33Å; P80-L82 PolarHBondContact O-N 2.96Å; P80-L83 PolarHBondContact O-N 3.21Å; P80-K84 WeakPolarHBondContact O-CB 3.35Å; P80-K84 PolarHBondContact O-N 2.88Å
81	D	94.9	Very high	95.5	Very high	46 Å²	46	51.4 Å²	51.4	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-37.5	177	-67.2	-30.7	0	0	0	113	H79 K84 I85 R371	H79-D81 VanDerWaalsContact C-N 3.27Å; H79-D81 IonicContact CE1-OD2 2.87Å; H79-D81 PolarHBondContact CE1-OD2 3.36Å; H79-D81 VanDerWaalsContact CE1-OD2 3.25Å; H79-D81 PolarHBondContact ND1-N 3.37Å; H79-D81 IonicContact ND1-OD2 3.82Å; H79-D81 PolarHBondContact O-N 2.84Å; H79-D81 VanDerWaalsContact O-N 3.16Å; D81-K84 PolarHBondContact O-N 3.39Å; D81-I85 WeakPolarHBondContact O-CG1 3.32Å; D81-I85 PolarHBondContact O-N 3.38Å; D81-R371 IonicContact OD1-NH1 2.79Å; D81-R371 IonicContact OD2-CZ 3.1Å; D81-R371 IonicContact OD2-NH1 3.88Å; D81-R371 PolarHBondContact OD2-NH1 3.12Å; D81-R371 IonicContact OD2-NH2 3.25Å; D81-R371 PolarHBondContact OD2-NH2 2.93Å
82	L	96.6	Very high	95.3	Very high	30 Å²	30	55.8 Å²	55.8	16%	0.157	29%	0.289	C	S	.	.	H	α-helix	trans	-72.4	-41.3	178.9	-59.6	-172.3	0	0	0	110.6	I75 H79 P80 K84 I85 T86 L361 V365	I75-L82 HydrophobicContact CD1-CD1 4.04Å; I75-L82 HydrophobicContact CD1-CD2 4.26Å; I75-L82 HydrophobicContact CD1-CG 4.03Å; I75-L82 HydrophobicContact CG1-CD1 4.15Å; H79-L82 HydrophobicContact CB-CB 4.44Å; H79-L82 HydrophobicContact CB-CD1 4.25Å; H79-L82 HydrophobicContact CB-CG 4.09Å; H79-L82 PolarHBondContact O-N 3.1Å; P80-L82 VanDerWaalsContact C-N 3.33Å; P80-L82 PolarHBondContact O-N 2.96Å; L82-K84 VanDerWaalsContact C-N 3.32Å; L82-K84 PolarHBondContact O-N 3.14Å; L82-I85 HydrophobicContact CD2-CD1 4.22Å; L82-I85 WeakPolarHBondContact O-CB 3.26Å; L82-I85 PolarHBondContact O-N 3.42Å; L82-I85 VanDerWaalsContact O-N 3.16Å; L82-T86 WeakPolarHBondContact O-CG2 3.21Å; L82-T86 PolarHBondContact O-N 3.07Å; L82-L361 HydrophobicContact CB-CD2 4.31Å; L82-L361 HydrophobicContact CD2-CD2 4.4Å; L82-L361 WeakPolarHBondContact CD2-O 3.47Å; L82-V365 HydrophobicContact CD1-CG2 4.22Å; L82-V365 HydrophobicContact CD2-CG2 4.06Å
83	L	95.6	Very high	95.1	Very high	78 Å²	78	57.7 Å²	57.7	41%	0.408	30%	0.299	S	S	.	.	H	α-helix	trans	-58.8	-45.2	173.1	-65.5	177.1	0	0	0	110.9	N78 H79 P80 I85 T86 Q87	N78-L83 HydrophobicContact CB-CD1 4.3Å; H79-L83 PolarHBondContact O-N 3.25Å; H79-L83 VanDerWaalsContact O-N 3.07Å; P80-L83 PolarHBondContact O-N 3.21Å; L83-I85 VanDerWaalsContact C-N 3.3Å; L83-I85 PolarHBondContact O-N 3.09Å; L83-T86 PolarHBondContact O-N 3.5Å; L83-T86 VanDerWaalsContact O-N 3.13Å; L83-T86 PolarHBondContact O-OG1 2.71Å; L83-Q87 PolarHBondContact O-N 3.29Å
84	K	95.3	Very high	94.8	Very high	147 Å²	147	56.5 Å²	56.5	64%	0.639	29%	0.293	S	S	*	.	H	α-helix	trans	-60.9	-36.7	176.1	-173.5	175.9	-179.7	176	0	112.8	P80 D81 L82 T86 Q87 N88	P80-K84 WeakPolarHBondContact O-CB 3.35Å; P80-K84 PolarHBondContact O-N 2.88Å; D81-K84 PolarHBondContact O-N 3.39Å; L82-K84 VanDerWaalsContact C-N 3.32Å; L82-K84 PolarHBondContact O-N 3.14Å; K84-T86 VanDerWaalsContact C-N 3.31Å; K84-T86 PolarHBondContact O-N 2.83Å; K84-Q87 PolarHBondContact O-N 3.49Å; K84-N88 PolarHBondContact O-N 3.41Å
85	I	96	Very high	94.6	Very high	29 Å²	29	59.8 Å²	59.8	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-40.1	175.5	-78.3	165.5	0	0	0	111.5	D81 L82 L83 Q87 N88 N91 V360 L361 G364	D81-I85 WeakPolarHBondContact O-CG1 3.32Å; D81-I85 PolarHBondContact O-N 3.38Å; L82-I85 HydrophobicContact CD2-CD1 4.22Å; L82-I85 WeakPolarHBondContact O-CB 3.26Å; L82-I85 PolarHBondContact O-N 3.42Å; L82-I85 VanDerWaalsContact O-N 3.16Å; L83-I85 VanDerWaalsContact C-N 3.3Å; L83-I85 PolarHBondContact O-N 3.09Å; I85-Q87 VanDerWaalsContact C-N 3.29Å; I85-Q87 PolarHBondContact O-N 3.33Å; I85-N88 PolarHBondContact O-N 3.09Å; I85-N91 WeakPolarHBondContact O-CB 3.37Å; I85-N91 PolarHBondContact O-ND2 3.33Å; I85-N91 VanDerWaalsContact O-ND2 3.07Å; I85-V360 HydrophobicContact CG2-CG1 4.24Å; I85-V360 HydrophobicContact CG2-CG2 3.92Å; I85-L361 HydrophobicContact CG2-CD2 4Å; I85-G364 VanDerWaalsContact CD1-CA 3.43Å
86	T	94.1	Very high	94.5	Very high	57 Å²	57	65.3 Å²	65.3	35%	0.35	34%	0.34	S	S	.	.	H	α-helix	trans	-69.2	-26.6	178.8	68.9	0	0	0	0	113.3	L82 L83 K84 N88 F95 L361	L82-T86 WeakPolarHBondContact O-CG2 3.21Å; L82-T86 PolarHBondContact O-N 3.07Å; L83-T86 PolarHBondContact O-N 3.5Å; L83-T86 VanDerWaalsContact O-N 3.13Å; L83-T86 PolarHBondContact O-OG1 2.71Å; K84-T86 VanDerWaalsContact C-N 3.31Å; K84-T86 PolarHBondContact O-N 2.83Å; T86-N88 VanDerWaalsContact C-N 3.35Å; T86-F95 HydrophobicContact CG2-CE1 4.41Å; T86-F95 HydrophobicContact CG2-CE2 4.47Å; T86-F95 HydrophobicContact CG2-CZ 3.95Å; T86-L361 HydrophobicContact CG2-CD2 4.3Å
87	Q	94.7	Very high	94.4	Very high	144 Å²	144	70.1 Å²	70.1	67%	0.673	37%	0.365	S	S	*	.	H	α-helix	trans	-80.7	-15.1	178.7	-66.5	172.3	-3	0	0	113.2	L83 K84 I85 K89	L83-Q87 PolarHBondContact O-N 3.29Å; K84-Q87 PolarHBondContact O-N 3.49Å; I85-Q87 VanDerWaalsContact C-N 3.29Å; I85-Q87 PolarHBondContact O-N 3.33Å; Q87-K89 PolarHBondContact O-N 3.05Å
88	N	93.6	Very high	94.3	Very high	78 Å²	78	73.8 Å²	73.8	42%	0.417	38%	0.379	S	S	.	.			trans	-71.8	121.2	178.1	-175.1	-39.9	0	0	0	110.8	K84 I85 T86 S90 N91 Q92	K84-N88 PolarHBondContact O-N 3.41Å; I85-N88 PolarHBondContact O-N 3.09Å; T86-N88 VanDerWaalsContact C-N 3.35Å; N88-S90 VanDerWaalsContact C-N 3.29Å; N88-S90 PolarHBondContact O-N 3.21Å; N88-S90 PolarHBondContact OD1-N 3.26Å; N88-S90 PolarHBondContact OD1-OG 3.37Å; N88-N91 HydrophobicContact CB-CB 4.29Å; N88-N91 WeakPolarHBondContact O-CA 3.47Å; N88-N91 WeakPolarHBondContact O-CB 3.06Å; N88-N91 PolarHBondContact O-N 2.88Å; N88-Q92 PolarHBondContact O-N 2.68Å
89	K	89.1	Confident	94.3	Very high	169 Å²	169	72 Å²	72	74%	0.735	37%	0.37	S	S	*	.	H	α-helix	trans	-53.8	-38.1	-178.9	-169.5	177	-178	179.2	0	114	Q87 N91 Q92	Q87-K89 PolarHBondContact O-N 3.05Å; K89-N91 VanDerWaalsContact C-N 3.26Å; K89-N91 PolarHBondContact O-N 3.03Å; K89-Q92 PolarHBondContact O-N 2.65Å
90	S	86	Confident	94.4	Very high	69 Å²	69	73.3 Å²	73.3	48%	0.483	38%	0.382	S	S	.	.	H	α-helix	trans	-71.2	-24.1	178.2	68.1	0	0	0	0	112.7	N88 T93	N88-S90 VanDerWaalsContact C-N 3.29Å; N88-S90 PolarHBondContact O-N 3.21Å; N88-S90 PolarHBondContact OD1-N 3.26Å; N88-S90 PolarHBondContact OD1-OG 3.37Å; S90-T93 PolarHBondContact O-OG1 3.34Å
91	N	92.3	Very high	94.5	Very high	14 Å²	14	70.8 Å²	70.8	8%	0.075	37%	0.365	C	S	.	.	H	α-helix	trans	-85.3	-31.3	177	-64	-18.9	0	0	0	111.4	I85 N88 K89 T93 L94 F95 V360	I85-N91 WeakPolarHBondContact O-CB 3.37Å; I85-N91 PolarHBondContact O-ND2 3.33Å; I85-N91 VanDerWaalsContact O-ND2 3.07Å; N88-N91 HydrophobicContact CB-CB 4.29Å; N88-N91 WeakPolarHBondContact O-CA 3.47Å; N88-N91 WeakPolarHBondContact O-CB 3.06Å; N88-N91 PolarHBondContact O-N 2.88Å; K89-N91 VanDerWaalsContact C-N 3.26Å; K89-N91 PolarHBondContact O-N 3.03Å; N91-T93 PolarHBondContact O-N 2.78Å; N91-T93 VanDerWaalsContact O-N 3.14Å; N91-L94 WeakPolarHBondContact O-CB 3.33Å; N91-L94 PolarHBondContact O-N 2.92Å; N91-F95 HydrophobicContact CB-CE2 4.13Å; N91-F95 WeakPolarHBondContact O-CD2 3.46Å; N91-F95 PolarHBondContact O-N 2.9Å; N91-V360 HydrophobicContact CB-CG2 4.48Å
92	Q	93.9	Very high	94.6	Very high	92 Å²	92	70.6 Å²	70.6	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-50.7	-39.1	177.9	-73.3	176.5	-8	0	0	112.5	N88 K89 L94 F95 V96	N88-Q92 PolarHBondContact O-N 2.68Å; K89-Q92 PolarHBondContact O-N 2.65Å; Q92-L94 VanDerWaalsContact C-N 3.25Å; Q92-L94 PolarHBondContact O-N 2.86Å; Q92-F95 PolarHBondContact O-N 3.12Å; Q92-F95 VanDerWaalsContact O-N 3.08Å; Q92-V96 PolarHBondContact O-N 3.22Å
93	T	93.3	Very high	94.6	Very high	72 Å²	72	72.1 Å²	72.1	44%	0.442	38%	0.383	S	S	.	.	H	α-helix	trans	-61.3	-32	177.5	55.3	0	0	0	0	113.1	S90 N91 F95 N97	S90-T93 PolarHBondContact O-OG1 3.34Å; N91-T93 PolarHBondContact O-N 2.78Å; N91-T93 VanDerWaalsContact O-N 3.14Å; T93-F95 VanDerWaalsContact C-N 3.33Å; T93-N97 VanDerWaalsContact O-CB 3.3Å; T93-N97 WeakPolarHBondContact O-CB 3.38Å; T93-N97 PolarHBondContact O-N 3.33Å; T93-N97 PolarHBondContact O-ND2 2.93Å
94	L	93.7	Very high	94.7	Very high	16 Å²	16	75.8 Å²	75.8	8%	0.084	40%	0.396	C	S	.	.	H	α-helix	trans	-73.4	-25.3	177	-59.1	176.3	0	0	0	112.5	N91 Q92 P106 P356 V360	N91-L94 WeakPolarHBondContact O-CB 3.33Å; N91-L94 PolarHBondContact O-N 2.92Å; Q92-L94 VanDerWaalsContact C-N 3.25Å; Q92-L94 PolarHBondContact O-N 2.86Å; L94-P106 HydrophobicContact CD2-CB 4.45Å; L94-P106 HydrophobicContact CD2-CG 4.17Å; L94-P356 HydrophobicContact CB-CB 4.39Å; L94-P356 HydrophobicContact CD2-CB 4.03Å; L94-V360 HydrophobicContact CD1-CB 4.32Å; L94-V360 HydrophobicContact CD1-CG1 4.37Å
95	F	95	Very high	94.8	Very high	73 Å²	73	72 Å²	72	32%	0.32	39%	0.387	S	S	.	.	H	α-helix	trans	-78.6	-30.2	176.9	-68.8	-83.1	0	0	0	112.6	T86 N91 Q92 T93 V360 L361	T86-F95 HydrophobicContact CG2-CE1 4.41Å; T86-F95 HydrophobicContact CG2-CE2 4.47Å; T86-F95 HydrophobicContact CG2-CZ 3.95Å; N91-F95 HydrophobicContact CB-CE2 4.13Å; N91-F95 WeakPolarHBondContact O-CD2 3.46Å; N91-F95 PolarHBondContact O-N 2.9Å; Q92-F95 PolarHBondContact O-N 3.12Å; Q92-F95 VanDerWaalsContact O-N 3.08Å; T93-F95 VanDerWaalsContact C-N 3.33Å; F95-V360 HydrophobicContact CE2-CG1 4.3Å; F95-V360 HydrophobicContact CZ-CG1 4.12Å; F95-L361 HydrophobicContact CE1-CD1 4.21Å; F95-L361 HydrophobicContact CE1-CG 4.39Å; F95-L361 HydrophobicContact CZ-CD2 4.27Å; F95-L361 HydrophobicContact CZ-CG 4.24Å
96	V	95.5	Very high	94.8	Very high	115 Å²	115	72.1 Å²	72.1	70%	0.697	39%	0.389	S	S	*	.	H	α-helix	trans	-103.9	-21.2	-175.1	-56.1	0	0	0	0	113.9	Q92	Q92-V96 PolarHBondContact O-N 3.22Å
97	N	95.9	Very high	94.9	Very high	107 Å²	107	75.9 Å²	75.9	57%	0.572	42%	0.418	S	S	*	.			trans	-114.3	94.8	177	-57.7	-61.4	0	0	0	109.7	T93 P99	T93-N97 VanDerWaalsContact O-CB 3.3Å; T93-N97 WeakPolarHBondContact O-CB 3.38Å; T93-N97 PolarHBondContact O-N 3.33Å; T93-N97 PolarHBondContact O-ND2 2.93Å; N97-P99 VanDerWaalsContact O-CD 3.26Å; N97-P99 WeakPolarHBondContact O-CD 3.21Å
98	R	96.8	Very high	94.9	Very high	89 Å²	89	71.4 Å²	71.4	34%	0.336	40%	0.399	S	S	.	.			trans	-87.3	110	179.5	-170	175.2	-176.4	-160.2	-5.4	110.7	M132 W352	R98-M132 PolarHBondContact NH2-SD 3.19Å; R98-W352 VanDerWaalsContact CZ-CE3 3.48Å; R98-W352 VanDerWaalsContact CZ-CG 3.4Å; R98-W352 VanDerWaalsContact NH1-CD2 3.29Å; R98-W352 VanDerWaalsContact NH1-CE2 3.26Å; R98-W352 VanDerWaalsContact NH2-CG 3.27Å
99	P	97	Very high	95	Very high	23 Å²	23	69.3 Å²	69.3	15%	0.149	39%	0.385	C	S	.	.			trans	-80.2	158.1	-175.8	31.9	-33.4	0	0	0	112.2	N97 L101 F104 P106 P356	N97-P99 VanDerWaalsContact O-CD 3.26Å; N97-P99 WeakPolarHBondContact O-CD 3.21Å; P99-L101 HydrophobicContact CG-CD2 3.83Å; P99-L101 HydrophobicContact CG-CG 4.11Å; P99-L101 PolarHBondContact O-N 3.25Å; P99-F104 VanDerWaalsContact CB-O 3.29Å; P99-F104 WeakPolarHBondContact CB-O 3.47Å; P99-P106 HydrophobicContact CG-CG 4.06Å; P99-P356 HydrophobicContact CG-CG 3.7Å
100	A	98.2	Very high	95.4	Very high	30 Å²	30	63.9 Å²	63.9	25%	0.248	37%	0.372	C	S	.	.			trans	-78.2	90.3	159	0	0	0	0	0	109	G102 V103 F104 T351	A100-G102 PolarHBondContact O-N 3.36Å; A100-G102 VanDerWaalsContact O-N 3.11Å; A100-V103 PolarHBondContact O-N 3.4Å; A100-F104 HydrophobicContact CB-CD2 4.47Å; A100-F104 PolarHBondContact O-N 3.31Å; A100-T351 WeakPolarHBondContact CA-O 3.49Å; A100-T351 WeakPolarHBondContact CB-O 3.46Å
101	L	97.6	Very high	95.9	Very high	9 Å²	9	66.3 Å²	66.3	5%	0.047	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.4	-166.3	-82.2	174.7	0	0	0	114.9	P99 V103 P105 Y109 W352 M353 P356	P99-L101 HydrophobicContact CG-CD2 3.83Å; P99-L101 HydrophobicContact CG-CG 4.11Å; P99-L101 PolarHBondContact O-N 3.25Å; L101-V103 PolarHBondContact O-N 3.5Å; L101-P105 HydrophobicContact CD2-CB 4.27Å; L101-Y109 HydrophobicContact CD1-CE2 3.88Å; L101-Y109 WeakPolarHBondContact CD1-OH 3.47Å; L101-Y109 HydrophobicContact CD2-CD1 4.17Å; L101-Y109 HydrophobicContact CD2-CD2 3.74Å; L101-Y109 HydrophobicContact CD2-CE1 4.01Å; L101-Y109 HydrophobicContact CD2-CE2 3.58Å; L101-Y109 HydrophobicContact CD2-CG 4.05Å; L101-Y109 HydrophobicContact CG-CE2 4.37Å; L101-W352 WeakPolarHBondContact CB-O 3.46Å; L101-W352 WeakPolarHBondContact CD1-O 3.29Å; L101-W352 WeakPolarHBondContact CG-O 3.29Å; L101-M353 HydrophobicContact CB-CB 4.23Å; L101-M353 WeakPolarHBondContact CD1-O 3.27Å; L101-P356 HydrophobicContact CD1-CG 4.18Å; L101-P356 HydrophobicContact CD2-CG 3.86Å; L101-P356 HydrophobicContact CG-CG 4.27Å
102	G	96.2	Very high	96	Very high	41 Å²	41	66.9 Å²	66.9	42%	0.423	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8.5	177.3	0	0	0	0	0	114.8	A100	A100-G102 PolarHBondContact O-N 3.36Å; A100-G102 VanDerWaalsContact O-N 3.11Å
103	V	97.5	Very high	96.3	Very high	62 Å²	62	63.4 Å²	63.4	38%	0.376	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-46.7	-177.4	-167.3	0	0	0	0	112	A100 L101 P105 F349	A100-V103 PolarHBondContact O-N 3.4Å; L101-V103 PolarHBondContact O-N 3.5Å; V103-P105 WeakPolarHBondContact O-CD 3.29Å; V103-F349 HydrophobicContact CG2-CE2 4.04Å; V103-F349 HydrophobicContact CG2-CZ 3.65Å
104	F	97.5	Very high	96.4	Very high	155 Å²	155	67.5 Å²	67.5	68%	0.68	37%	0.367	S	S	*	.	S	Bend	trans	-125.6	59.4	-174.5	-51.7	-66.4	0	0	0	111.5	P99 A100	P99-F104 VanDerWaalsContact CB-O 3.29Å; P99-F104 WeakPolarHBondContact CB-O 3.47Å; A100-F104 HydrophobicContact CB-CD2 4.47Å; A100-F104 PolarHBondContact O-N 3.31Å
105	P	97.4	Very high	96.5	Very high	67 Å²	67	71.8 Å²	71.8	44%	0.435	39%	0.386	S	S	.	.			trans	-64.9	148.6	178.6	29.2	-34.8	0	0	0	111.2	L101 V103 Y109	L101-P105 HydrophobicContact CD2-CB 4.27Å; V103-P105 WeakPolarHBondContact O-CD 3.29Å; P105-Y109 HydrophobicContact CB-CD1 3.89Å; P105-Y109 HydrophobicContact CB-CG 4.11Å
106	P	95.9	Very high	96.6	Very high	32 Å²	32	68.3 Å²	68.3	21%	0.208	37%	0.371	C	S	.	.			trans	-55.2	149.8	169.2	-24.6	33.8	0	0	0	111.7	L94 P99 D108 Y109 P356	L94-P106 HydrophobicContact CD2-CB 4.45Å; L94-P106 HydrophobicContact CD2-CG 4.17Å; P99-P106 HydrophobicContact CG-CG 4.06Å; P106-D108 PolarHBondContact O-N 3.1Å; P106-Y109 WeakPolarHBondContact O-CB 3.37Å; P106-Y109 PolarHBondContact O-N 2.95Å; P106-P356 HydrophobicContact CG-CG 4.24Å
107	S	95.1	Very high	96.7	Very high	137 Å²	137	62.9 Å²	62.9	96%	0.958	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.8	-176.1	56.4	0	0	0	0	114.2
108	D	94.9	Very high	96.9	Very high	50 Å²	50	60.3 Å²	60.3	27%	0.267	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	3.6	178.7	66.2	-8.5	0	0	0	113.6	P106 A110 K111 R112	P106-D108 PolarHBondContact O-N 3.1Å; D108-A110 PolarHBondContact O-N 2.89Å; D108-K111 WeakPolarHBondContact O-CA 3.48Å; D108-K111 WeakPolarHBondContact O-CB 3.35Å; D108-K111 PolarHBondContact O-N 3.19Å; D108-R112 VanDerWaalsContact CG-NE 3.26Å; D108-R112 WeakPolarHBondContact O-CG 3.22Å; D108-R112 PolarHBondContact O-N 2.96Å; D108-R112 IonicContact OD1-NE 2.66Å; D108-R112 PolarHBondContact OD1-NE 3Å; D108-R112 IonicContact OD2-CZ 2.99Å; D108-R112 IonicContact OD2-NE 3.78Å; D108-R112 PolarHBondContact OD2-NE 3.42Å; D108-R112 IonicContact OD2-NH2 3.63Å; D108-R112 PolarHBondContact OD2-NH2 2.83Å
109	Y	96.5	Very high	96.9	Very high	33 Å²	33	59.6 Å²	59.6	13%	0.129	33%	0.333	C	S	.	.	H	α-helix	trans	-57.1	-47.4	-171.6	-173.2	-118.3	0	0	0	113	L101 P105 P106 K111 R112 I113 T130 L359	L101-Y109 HydrophobicContact CD1-CE2 3.88Å; L101-Y109 WeakPolarHBondContact CD1-OH 3.47Å; L101-Y109 HydrophobicContact CD2-CD1 4.17Å; L101-Y109 HydrophobicContact CD2-CD2 3.74Å; L101-Y109 HydrophobicContact CD2-CE1 4.01Å; L101-Y109 HydrophobicContact CD2-CE2 3.58Å; L101-Y109 HydrophobicContact CD2-CG 4.05Å; L101-Y109 HydrophobicContact CG-CE2 4.37Å; P105-Y109 HydrophobicContact CB-CD1 3.89Å; P105-Y109 HydrophobicContact CB-CG 4.11Å; P106-Y109 WeakPolarHBondContact O-CB 3.37Å; P106-Y109 PolarHBondContact O-N 2.95Å; Y109-K111 VanDerWaalsContact C-N 3.27Å; Y109-K111 PolarHBondContact O-N 2.98Å; Y109-R112 PolarHBondContact O-N 2.88Å; Y109-I113 HydrophobicContact CD1-CG1 4.34Å; Y109-I113 HydrophobicContact CD2-CG1 4.44Å; Y109-I113 HydrophobicContact CE1-CD1 4.33Å; Y109-I113 HydrophobicContact CE1-CG1 4.01Å; Y109-I113 HydrophobicContact CE2-CD1 4.04Å; Y109-I113 HydrophobicContact CE2-CG1 4.11Å; Y109-I113 WeakPolarHBondContact O-CG1 3.47Å; Y109-I113 PolarHBondContact O-N 2.71Å; Y109-T130 WeakPolarHBondContact OH-CG2 3.49Å; Y109-T130 PolarHBondContact OH-OG1 3.15Å; Y109-L359 HydrophobicContact CD2-CD2 4.09Å; Y109-L359 HydrophobicContact CE2-CD2 3.76Å
110	A	96.7	Very high	97	Very high	55 Å²	55	59.9 Å²	59.9	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-33.5	178.5	0	0	0	0	0	112.8	D108 R114	D108-A110 PolarHBondContact O-N 2.89Å; A110-R114 WeakPolarHBondContact O-CG 3.41Å; A110-R114 PolarHBondContact O-N 2.53Å; A110-R114 PolarHBondContact O-NH1 3.18Å
111	K	96.5	Very high	97	Very high	121 Å²	121	59.8 Å²	59.8	53%	0.526	33%	0.333	S	S	.	.	H	α-helix	trans	-67.4	-48	174.2	178.2	-175.6	173.5	-175.5	0	110.1	D108 Y109 I113 R114 E115	D108-K111 WeakPolarHBondContact O-CA 3.48Å; D108-K111 WeakPolarHBondContact O-CB 3.35Å; D108-K111 PolarHBondContact O-N 3.19Å; Y109-K111 VanDerWaalsContact C-N 3.27Å; Y109-K111 PolarHBondContact O-N 2.98Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.95Å; K111-R114 WeakPolarHBondContact O-CB 3.47Å; K111-R114 PolarHBondContact O-N 3.23Å; K111-R114 VanDerWaalsContact O-N 3.07Å; K111-E115 WeakPolarHBondContact CE-OE1 3.4Å; K111-E115 WeakPolarHBondContact CE-OE2 3.31Å; K111-E115 HydrophobicContact CG-CG 4.31Å; K111-E115 IonicContact NZ-OE1 2.84Å; K111-E115 WeakPolarHBondContact O-CG 3.41Å; K111-E115 PolarHBondContact O-N 3.4Å
112	R	95.9	Very high	97	Very high	26 Å²	26	59.5 Å²	59.5	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-58.7	-43.8	177.9	-67	-175.8	176.8	-79.7	-3.1	112.5	D108 Y109 R114 E115 S116 L359 E363	D108-R112 VanDerWaalsContact CG-NE 3.26Å; D108-R112 WeakPolarHBondContact O-CG 3.22Å; D108-R112 PolarHBondContact O-N 2.96Å; D108-R112 IonicContact OD1-NE 2.66Å; D108-R112 PolarHBondContact OD1-NE 3Å; D108-R112 IonicContact OD2-CZ 2.99Å; D108-R112 IonicContact OD2-NE 3.78Å; D108-R112 PolarHBondContact OD2-NE 3.42Å; D108-R112 IonicContact OD2-NH2 3.63Å; D108-R112 PolarHBondContact OD2-NH2 2.83Å; Y109-R112 PolarHBondContact O-N 2.88Å; R112-R114 VanDerWaalsContact C-N 3.3Å; R112-R114 PolarHBondContact O-N 2.86Å; R112-E115 PolarHBondContact O-N 3.03Å; R112-S116 WeakPolarHBondContact O-CB 3.44Å; R112-S116 PolarHBondContact O-N 2.76Å; R112-S116 PolarHBondContact O-OG 3.05Å; R112-L359 HydrophobicContact CB-CD2 3.64Å; R112-L359 HydrophobicContact CB-CG 4.33Å; R112-E363 WeakPolarHBondContact CB-OE1 3.3Å; R112-E363 WeakPolarHBondContact CD-OE1 3.21Å; R112-E363 WeakPolarHBondContact CG-OE1 3.25Å; R112-E363 IonicContact CZ-OE1 3.53Å; R112-E363 VanDerWaalsContact NH1-CD 3.34Å; R112-E363 IonicContact NH1-OE1 2.76Å; R112-E363 PolarHBondContact NH1-OE1 3.06Å; R112-E363 IonicContact NH1-OE2 3.21Å; R112-E363 PolarHBondContact NH1-OE2 3.44Å; R112-E363 VanDerWaalsContact NH1-OE2 3.1Å
113	I	98.2	Very high	96.9	Very high	18 Å²	18	66.2 Å²	66.2	9%	0.092	35%	0.352	C	S	.	.	H	α-helix	trans	-59.1	-42.2	175.1	-67.1	-67.7	0	0	0	111.2	Y109 K111 L117 L118 V128 T130 L359	Y109-I113 HydrophobicContact CD1-CG1 4.34Å; Y109-I113 HydrophobicContact CD2-CG1 4.44Å; Y109-I113 HydrophobicContact CE1-CD1 4.33Å; Y109-I113 HydrophobicContact CE1-CG1 4.01Å; Y109-I113 HydrophobicContact CE2-CD1 4.04Å; Y109-I113 HydrophobicContact CE2-CG1 4.11Å; Y109-I113 WeakPolarHBondContact O-CG1 3.47Å; Y109-I113 PolarHBondContact O-N 2.71Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.95Å; I113-L117 HydrophobicContact CD1-CD1 3.81Å; I113-L117 PolarHBondContact O-N 3.05Å; I113-L117 VanDerWaalsContact O-N 3.16Å; I113-L118 HydrophobicContact CG2-CD1 4.02Å; I113-L118 HydrophobicContact CG2-CG 4.03Å; I113-L118 PolarHBondContact O-N 3.02Å; I113-V128 HydrophobicContact CG2-CG1 3.62Å; I113-T130 HydrophobicContact CD1-CG2 3.82Å; I113-L359 HydrophobicContact CD1-CD1 4.22Å; I113-L359 HydrophobicContact CD1-CD2 3.84Å; I113-L359 HydrophobicContact CG1-CD2 4.28Å
114	R	97.3	Very high	96.7	Very high	158 Å²	158	65.2 Å²	65.2	60%	0.596	35%	0.354	S	S	*	.	H	α-helix	trans	-65	-44	176.3	-73	-177	-167.1	103.5	-4.5	112.9	A110 K111 R112 S116 L118 S119	A110-R114 WeakPolarHBondContact O-CG 3.41Å; A110-R114 PolarHBondContact O-N 2.53Å; A110-R114 PolarHBondContact O-NH1 3.18Å; K111-R114 WeakPolarHBondContact O-CB 3.47Å; K111-R114 PolarHBondContact O-N 3.23Å; K111-R114 VanDerWaalsContact O-N 3.07Å; R112-R114 VanDerWaalsContact C-N 3.3Å; R112-R114 PolarHBondContact O-N 2.86Å; R114-S116 VanDerWaalsContact C-N 3.31Å; R114-S116 PolarHBondContact O-N 3.47Å; R114-L118 HydrophobicContact CG-CD1 4Å; R114-S119 PolarHBondContact O-N 3.35Å
115	E	94.9	Very high	96.6	Very high	107 Å²	107	58 Å²	58	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-79.2	-11.8	-176.1	-68.7	178.9	169.8	0	0	113.9	K111 R112 S119	K111-E115 WeakPolarHBondContact CE-OE1 3.4Å; K111-E115 WeakPolarHBondContact CE-OE2 3.31Å; K111-E115 HydrophobicContact CG-CG 4.31Å; K111-E115 IonicContact NZ-OE1 2.84Å; K111-E115 WeakPolarHBondContact O-CG 3.41Å; K111-E115 PolarHBondContact O-N 3.4Å; R112-E115 PolarHBondContact O-N 3.03Å; E115-S119 PolarHBondContact O-OG 2.86Å
116	S	97	Very high	96.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-85.8	177.4	59.8	0	0	0	0	112.2	R112 R114 L118 S119 L359 L366	R112-S116 WeakPolarHBondContact O-CB 3.44Å; R112-S116 PolarHBondContact O-N 2.76Å; R112-S116 PolarHBondContact O-OG 3.05Å; R114-S116 VanDerWaalsContact C-N 3.31Å; R114-S116 PolarHBondContact O-N 3.47Å; S116-L118 PolarHBondContact O-N 2.91Å; S116-S119 PolarHBondContact O-N 3.16Å; S116-S119 PolarHBondContact O-OG 3.11Å; S116-L359 WeakPolarHBondContact OG-CD1 3.21Å; S116-L366 WeakPolarHBondContact O-CD1 3.47Å
117	L	98.5	Very high	96.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-43.7	-172.2	-68.8	174.4	0	0	0	112.3	I113 V120 A121 V128 T130 F325 M329 L331 Y335 L359 L362	I113-L117 HydrophobicContact CD1-CD1 3.81Å; I113-L117 PolarHBondContact O-N 3.05Å; I113-L117 VanDerWaalsContact O-N 3.16Å; L117-V120 CarbonylContact O-C 3.55Å; L117-V120 WeakPolarHBondContact O-CG2 3.44Å; L117-V120 PolarHBondContact O-N 3.1Å; L117-A121 PolarHBondContact O-N 3.2Å; L117-V128 HydrophobicContact CB-CG1 4.48Å; L117-V128 HydrophobicContact CB-CG2 4.41Å; L117-V128 HydrophobicContact CD1-CG2 4.15Å; L117-T130 HydrophobicContact CD1-CG2 3.55Å; L117-F325 HydrophobicContact CD1-CZ 4.15Å; L117-F325 HydrophobicContact CD2-CE2 3.72Å; L117-F325 HydrophobicContact CD2-CZ 3.74Å; L117-M329 HydrophobicContact CD2-CE 3.92Å; L117-L331 HydrophobicContact CD2-CD2 4.37Å; L117-Y335 WeakPolarHBondContact O-CE1 3.4Å; L117-Y335 PolarHBondContact O-OH 2.98Å; L117-L359 HydrophobicContact CD1-CD1 4.11Å; L117-L359 HydrophobicContact CG-CD1 4.11Å; L117-L362 HydrophobicContact CD2-CD2 3.54Å; L117-L362 HydrophobicContact CG-CD2 4.19Å
118	L	98.2	Very high	96.8	Very high	53 Å²	53	56.1 Å²	56.1	28%	0.277	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-77.8	-20.9	179.9	-60.5	174.3	0	0	0	113.1	I113 R114 S116 V120 A121 V128 Y335	I113-L118 HydrophobicContact CG2-CD1 4.02Å; I113-L118 HydrophobicContact CG2-CG 4.03Å; I113-L118 PolarHBondContact O-N 3.02Å; R114-L118 HydrophobicContact CG-CD1 4Å; S116-L118 PolarHBondContact O-N 2.91Å; L118-V120 PolarHBondContact O-N 3.39Å; L118-A121 HydrophobicContact CD2-CB 4.46Å; L118-A121 PolarHBondContact O-N 3.44Å; L118-V128 HydrophobicContact CD2-CB 4.14Å; L118-V128 HydrophobicContact CD2-CG1 3.77Å; L118-V128 HydrophobicContact CG-CG1 4.13Å; L118-Y335 HydrophobicContact CD2-CE1 4.37Å
119	S	97.6	Very high	97	Very high	75 Å²	75	55.8 Å²	55.8	52%	0.524	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-68	-16.6	174.2	78.6	0	0	0	0	112.6	R114 E115 S116	R114-S119 PolarHBondContact O-N 3.35Å; E115-S119 PolarHBondContact O-OG 2.86Å; S116-S119 PolarHBondContact O-N 3.16Å; S116-S119 PolarHBondContact O-OG 3.11Å
120	V	98.3	Very high	97.1	Very high	29 Å²	29	54.6 Å²	54.6	18%	0.176	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-121.9	18.8	176.7	-62.9	0	0	0	0	111.9	L117 L118 M308 W309 M329 L366	L117-V120 CarbonylContact O-C 3.55Å; L117-V120 WeakPolarHBondContact O-CG2 3.44Å; L117-V120 PolarHBondContact O-N 3.1Å; L118-V120 PolarHBondContact O-N 3.39Å; V120-M308 HydrophobicContact CB-CE 3.99Å; V120-M308 HydrophobicContact CB-CG 4Å; V120-M308 HydrophobicContact CG1-CE 4.12Å; V120-M308 HydrophobicContact CG1-CG 4.35Å; V120-M308 HydrophobicContact CG1-SD 4.4Å; V120-M308 HydrophobicContact CG2-CE 3.92Å; V120-W309 HydrophobicContact CG2-CZ2 4.43Å; V120-W309 PolarHBondContact O-NE1 3.4Å; V120-M329 HydrophobicContact CG2-CE 4.08Å; V120-L366 HydrophobicContact CG1-CD1 4.21Å; V120-L366 HydrophobicContact CG1-CD2 3.97Å; V120-L366 HydrophobicContact CG2-CD1 4.12Å; V120-L366 HydrophobicContact CG2-CD2 4.37Å
121	A	98.4	Very high	97.2	Very high	28 Å²	28	52 Å²	52	23%	0.231	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-58.9	144.5	179.2	0	0	0	0	0	111.5	L117 L118 M125 Y335	L117-A121 PolarHBondContact O-N 3.2Å; L118-A121 HydrophobicContact CD2-CB 4.46Å; L118-A121 PolarHBondContact O-N 3.44Å; A121-M125 WeakPolarHBondContact CB-O 3.36Å; A121-Y335 HydrophobicContact CB-CD1 3.93Å; A121-Y335 HydrophobicContact CB-CE1 3.69Å
122	P	98	Very high	97.2	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.019	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-54.6	148.9	170.1	-23.7	32.9	0	0	0	112	G124 M125 W309 V323 Y335	P122-G124 PolarHBondContact O-N 3Å; P122-M125 HydrophobicContact CB-CB 4.46Å; P122-M125 HydrophobicContact CB-CG 4.08Å; P122-M125 HydrophobicContact CB-SD 3.67Å; P122-M125 HydrophobicContact CG-SD 3.82Å; P122-M125 WeakPolarHBondContact O-CB 3.49Å; P122-M125 PolarHBondContact O-N 3.02Å; P122-W309 HydrophobicContact CG-CD2 4.41Å; P122-W309 HydrophobicContact CG-CG 4.2Å; P122-V323 HydrophobicContact CG-CB 4.19Å; P122-V323 HydrophobicContact CG-CG1 4.28Å; P122-V323 HydrophobicContact CG-CG2 4.09Å; P122-Y335 VanDerWaalsContact CD-CD2 3.5Å; P122-Y335 HydrophobicContact CG-CD2 3.99Å; P122-Y335 HydrophobicContact CG-CE2 4.49Å; P122-Y335 HydrophobicContact CG-CG 4.29Å
123	Q	93.8	Very high	97.4	Very high	181 Å²	181	51.1 Å²	51.1	85%	0.846	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	127.4	-177.5	-175.5	177.6	1.5	0	0	111.4	M125 P319	Q123-M125 VanDerWaalsContact C-N 3.34Å; Q123-P319 WeakPolarHBondContact O-CB 3.4Å
124	G	93.7	Very high	97.4	Very high	41 Å²	41	50.7 Å²	50.7	42%	0.423	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	5.6	-179.9	0	0	0	0	0	115.2	P122	P122-G124 PolarHBondContact O-N 3Å
125	M	96.5	Very high	97.5	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	25%	0.25	C	S	.	.			trans	-110.3	126.7	176.3	-53.9	-171.9	84.9	0	0	110.3	A121 P122 Q123 P319 P320 V323 Y335 Y336	A121-M125 WeakPolarHBondContact CB-O 3.36Å; P122-M125 HydrophobicContact CB-CB 4.46Å; P122-M125 HydrophobicContact CB-CG 4.08Å; P122-M125 HydrophobicContact CB-SD 3.67Å; P122-M125 HydrophobicContact CG-SD 3.82Å; P122-M125 WeakPolarHBondContact O-CB 3.49Å; P122-M125 PolarHBondContact O-N 3.02Å; Q123-M125 VanDerWaalsContact C-N 3.34Å; M125-P319 HydrophobicContact CG-CB 3.98Å; M125-P320 HydrophobicContact SD-CG 4.41Å; M125-V323 HydrophobicContact CE-CG2 4.13Å; M125-V323 HydrophobicContact SD-CB 4.24Å; M125-V323 HydrophobicContact SD-CG2 3.56Å; M125-V323 VanDerWaalsContact SD-CG2 3.56Å; M125-Y335 WeakPolarHBondContact CE-O 3.12Å; M125-Y336 VanDerWaalsContact CE-CA 3.45Å
126	H	96	Very high	97.6	Very high	136 Å²	136	40.6 Å²	40.6	63%	0.63	24%	0.235	S	C	*	.			trans	-121.1	-6	-174.3	-58.8	-66.3	0	0	0	113.9
127	N	97.8	Very high	97.7	Very high	37 Å²	37	40.6 Å²	40.6	20%	0.198	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.3	-179.3	-46	-74.5	0	0	0	109.9	Y335 Y336 S338	N127-Y335 WeakPolarHBondContact O-CA 3.48Å; N127-Y336 HydrophobicContact CB-CD1 4.09Å; N127-Y336 HydrophobicContact CB-CD2 3.78Å; N127-Y336 HydrophobicContact CB-CE1 3.72Å; N127-Y336 HydrophobicContact CB-CE2 3.35Å; N127-Y336 HydrophobicContact CB-CG 4.13Å; N127-Y336 PolarHBondContact ND2-O 3.12Å; N127-Y336 PolarHBondContact O-N 3.36Å; N127-Y336 VanDerWaalsContact O-N 3.07Å; N127-S338 VanDerWaalsContact ND2-CA 3.29Å; N127-S338 WeakPolarHBondContact ND2-CA 3.49Å; N127-S338 PolarHBondContact ND2-N 3Å; N127-S338 PolarHBondContact ND2-OG 3.39Å; N127-S338 VanDerWaalsContact ND2-OG 3.12Å
128	V	98.4	Very high	97.8	Very high	24 Å²	24	40.6 Å²	40.6	15%	0.145	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.6	177.2	65.3	0	0	0	0	109.4	I113 L117 L118 F325 Y334 Y335	I113-V128 HydrophobicContact CG2-CG1 3.62Å; L117-V128 HydrophobicContact CB-CG1 4.48Å; L117-V128 HydrophobicContact CB-CG2 4.41Å; L117-V128 HydrophobicContact CD1-CG2 4.15Å; L118-V128 HydrophobicContact CD2-CB 4.14Å; L118-V128 HydrophobicContact CD2-CG1 3.77Å; L118-V128 HydrophobicContact CG-CG1 4.13Å; V128-F325 HydrophobicContact CG2-CE1 3.92Å; V128-F325 HydrophobicContact CG2-CZ 3.84Å; V128-Y334 WeakPolarHBondContact CA-O 3.33Å; V128-Y335 HydrophobicContact CB-CD1 3.79Å; V128-Y335 HydrophobicContact CB-CE1 3.94Å; V128-Y335 HydrophobicContact CG2-CD1 3.94Å; V128-Y335 HydrophobicContact CG2-CE1 3.86Å; V128-Y335 HydrophobicContact CG2-CG 4.48Å
129	M	98.1	Very high	97.8	Very high	43 Å²	43	40.2 Å²	40.2	21%	0.212	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.6	167	-169.4	68.3	94	0	0	108.7	M131 G333 Y334 Y336 I348 M353	M129-M131 HydrophobicContact CG-CE 3.65Å; M129-G333 CarbonylContact O-C 3.49Å; M129-G333 WeakPolarHBondContact O-CA 3.35Å; M129-Y334 HydrophobicContact CB-CD1 4.16Å; M129-Y334 HydrophobicContact CB-CE1 3.61Å; M129-Y334 HydrophobicContact CB-CE2 4.21Å; M129-Y334 HydrophobicContact CG-CE1 4.01Å; M129-Y334 PolarHBondContact N-O 3.39Å; M129-Y334 PolarHBondContact O-N 3.08Å; M129-Y336 HydrophobicContact CB-CE1 4.2Å; M129-I348 HydrophobicContact CE-CB 4.04Å; M129-I348 HydrophobicContact CE-CG2 3.68Å; M129-I348 HydrophobicContact CG-CG2 4.09Å; M129-M353 HydrophobicContact CE-CE 3.81Å; M129-M353 HydrophobicContact CG-CE 4.1Å; M129-M353 HydrophobicContact SD-CE 3.33Å; M129-M353 WeakPolarHBondContact SD-CE 3.45Å
130	T	98.7	Very high	97.9	Very high	9 Å²	9	37 Å²	37	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	145.4	179.3	46.1	0	0	0	0	111.5	Y109 I113 L117 L331 M353	Y109-T130 WeakPolarHBondContact OH-CG2 3.49Å; Y109-T130 PolarHBondContact OH-OG1 3.15Å; I113-T130 HydrophobicContact CD1-CG2 3.82Å; L117-T130 HydrophobicContact CD1-CG2 3.55Å; T130-L331 HydrophobicContact CG2-CD1 3.96Å; T130-M353 CarbonylContact C-O 3.53Å; T130-M353 WeakPolarHBondContact CB-O 3.29Å; T130-M353 CarbonylContact O-C 3.52Å; T130-M353 PolarHBondContact OG1-O 3.08Å
131	M	98.7	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	171.9	-176.4	-68.8	-67.5	153.3	0	0	109.5	M129 C136 N140 G332 Y334 I348 M353 G354	M129-M131 HydrophobicContact CG-CE 3.65Å; M131-C136 HydrophobicContact SD-CB 4.49Å; M131-N140 HydrophobicContact CE-CB 3.76Å; M131-N140 HydrophobicContact SD-CB 4.23Å; M131-N140 PolarHBondContact SD-ND2 3Å; M131-G332 CarbonylContact C-O 3.59Å; M131-G332 PolarHBondContact N-O 3.01Å; M131-G332 CarbonylContact O-C 3.51Å; M131-G332 VanDerWaalsContact O-C 3.32Å; M131-G332 VanDerWaalsContact O-CA 3.24Å; M131-G332 WeakPolarHBondContact O-CA 3.44Å; M131-G332 PolarHBondContact O-N 3.3Å; M131-Y334 HydrophobicContact CE-CE1 4.18Å; M131-I348 HydrophobicContact CE-CG2 3.94Å; M131-M353 HydrophobicContact CE-CE 4.45Å; M131-G354 WeakPolarHBondContact O-CA 3.32Å
132	M	97.9	Very high	97.9	Very high	72 Å²	72	34.4 Å²	34.4	36%	0.355	19%	0.191	S	C	.	.	S	Bend	trans	-81.9	-43.5	-178.9	-78.1	-58.9	-66.8	0	0	114.3	R98 C136 G332 G354 D355	R98-M132 PolarHBondContact NH2-SD 3.19Å; M132-C136 PolarHBondContact N-SG 2.87Å; M132-C136 VanDerWaalsContact N-SG 3.36Å; M132-G332 PolarHBondContact O-N 3.21Å; M132-G354 VanDerWaalsContact SD-C 3.54Å; M132-D355 HydrophobicContact SD-CB 4.23Å
133	C	98.7	Very high	97.9	Very high	56 Å²	56	38 Å²	38	38%	0.378	21%	0.206	S	C	.	.	S	Bend	trans	-146	171.7	-175	74.9	0	0	0	0	111.1	S135 C136 S137	C133-S135 VanDerWaalsContact C-N 3.27Å; C133-S135 PolarHBondContact O-N 3.46Å; C133-C136 PolarHBondContact N-SG 3.21Å; C133-C136 PolarHBondContact O-N 3.06Å; C133-C136 PolarHBondContact O-SG 3.41Å; C133-C136 VanDerWaalsContact SG-SG 3.62Å; C133-S137 PolarHBondContact O-N 2.95Å; C133-S137 PolarHBondContact O-OG 3.18Å
134	G	98.8	Very high	98.2	Very high	10 Å²	10	29.5 Å²	29.5	10%	0.103	17%	0.166	C	C	.	.	H	α-helix	trans	-58.2	-33.1	179.5	0	0	0	0	0	114.4	S137 N138 S326	G134-S137 WeakPolarHBondContact O-CB 3.5Å; G134-S137 PolarHBondContact O-N 3.23Å; G134-N138 PolarHBondContact O-N 3.3Å; G134-S326 VanDerWaalsContact N-CB 3.34Å; G134-S326 PolarHBondContact N-OG 3.16Å
135	S	98.8	Very high	98.4	Very high	24 Å²	24	27.5 Å²	27.5	17%	0.168	15%	0.146	C	C	.	.	H	α-helix	trans	-68.1	-50.9	178.5	-59.5	0	0	0	0	111.9	C133 S137 N138 E139 G189 R190 C194	C133-S135 VanDerWaalsContact C-N 3.27Å; C133-S135 PolarHBondContact O-N 3.46Å; S135-S137 PolarHBondContact O-N 2.84Å; S135-N138 PolarHBondContact O-N 3.08Å; S135-N138 VanDerWaalsContact O-N 3.13Å; S135-E139 VanDerWaalsContact O-CG 3.3Å; S135-E139 WeakPolarHBondContact O-CG 3.22Å; S135-E139 PolarHBondContact O-N 2.96Å; S135-G189 WeakPolarHBondContact OG-CA 3.36Å; S135-R190 PolarHBondContact OG-N 2.92Å; S135-C194 PolarHBondContact O-SG 3.3Å
136	C	98.7	Very high	98.5	Very high	28 Å²	28	29.4 Å²	29.4	19%	0.189	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-24.5	175.7	55.4	0	0	0	0	113	M131 M132 C133 N140	M131-C136 HydrophobicContact SD-CB 4.49Å; M132-C136 PolarHBondContact N-SG 2.87Å; M132-C136 VanDerWaalsContact N-SG 3.36Å; C133-C136 PolarHBondContact N-SG 3.21Å; C133-C136 PolarHBondContact O-N 3.06Å; C133-C136 PolarHBondContact O-SG 3.41Å; C133-C136 VanDerWaalsContact SG-SG 3.62Å; C136-N140 WeakPolarHBondContact O-CB 3.42Å; C136-N140 PolarHBondContact O-N 3.03Å; C136-N140 VanDerWaalsContact O-N 3.11Å; C136-N140 PolarHBondContact O-ND2 3.29Å
137	S	98.9	Very high	98.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.6	-52.9	166.6	-55.5	0	0	0	0	111.2	C133 G134 S135 N140 A141 F325 G332 G333	C133-S137 PolarHBondContact O-N 2.95Å; C133-S137 PolarHBondContact O-OG 3.18Å; G134-S137 WeakPolarHBondContact O-CB 3.5Å; G134-S137 PolarHBondContact O-N 3.23Å; S135-S137 PolarHBondContact O-N 2.84Å; S137-N140 PolarHBondContact O-N 3.08Å; S137-A141 WeakPolarHBondContact O-CB 3.36Å; S137-A141 PolarHBondContact O-N 2.87Å; S137-F325 PolarHBondContact OG-O 2.8Å; S137-G332 WeakPolarHBondContact OG-CA 3.36Å; S137-G333 WeakPolarHBondContact CB-O 3.49Å; S137-G333 PolarHBondContact OG-N 3.11Å; S137-G333 PolarHBondContact OG-O 3.12Å
138	N	98.9	Very high	98.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-68.5	-43.4	-178	-75.7	-18.7	0	0	0	112.3	G134 S135 N140 A141 F142 H188 C194 D296 T324	G134-N138 PolarHBondContact O-N 3.3Å; S135-N138 PolarHBondContact O-N 3.08Å; S135-N138 VanDerWaalsContact O-N 3.13Å; N138-N140 VanDerWaalsContact C-N 3.34Å; N138-N140 PolarHBondContact O-N 3.24Å; N138-A141 WeakPolarHBondContact O-CB 3.31Å; N138-A141 PolarHBondContact O-N 2.85Å; N138-F142 HydrophobicContact CB-CE2 4.29Å; N138-F142 HydrophobicContact CB-CZ 4.06Å; N138-F142 WeakPolarHBondContact O-CD1 3.4Å; N138-F142 VanDerWaalsContact O-CD2 3.28Å; N138-F142 WeakPolarHBondContact O-CD2 3.38Å; N138-F142 WeakPolarHBondContact O-CG 3.23Å; N138-F142 PolarHBondContact O-N 3.32Å; N138-H188 PolarHBondContact ND2-O 3.4Å; N138-C194 VanDerWaalsContact CB-SG 3.58Å; N138-D296 PolarHBondContact ND2-OD2 3.01Å; N138-T324 VanDerWaalsContact OD1-CB 3.23Å; N138-T324 WeakPolarHBondContact OD1-CB 3.34Å; N138-T324 WeakPolarHBondContact OD1-CG2 3.29Å; N138-T324 PolarHBondContact OD1-OG1 3.33Å
139	E	98.9	Very high	98.6	Very high	44 Å²	44	22.7 Å²	22.7	21%	0.206	12%	0.119	C	C	.	.	H	α-helix	trans	-55.6	-46.7	174.4	-68.2	-72.1	165.7	0	0	111.8	S135 F142 K143 T191 A193 C194	S135-E139 VanDerWaalsContact O-CG 3.3Å; S135-E139 WeakPolarHBondContact O-CG 3.22Å; S135-E139 PolarHBondContact O-N 2.96Å; E139-F142 WeakPolarHBondContact O-CB 3.37Å; E139-F142 PolarHBondContact O-N 3.44Å; E139-K143 PolarHBondContact O-N 3.08Å; E139-T191 VanDerWaalsContact CG-OG1 3.28Å; E139-T191 WeakPolarHBondContact CG-OG1 3.39Å; E139-T191 VanDerWaalsContact OE1-CB 3.27Å; E139-T191 WeakPolarHBondContact OE1-CB 3.38Å; E139-T191 PolarHBondContact OE1-OG1 2.99Å; E139-A193 PolarHBondContact OE1-N 2.95Å; E139-A193 WeakPolarHBondContact OE2-CB 3.39Å; E139-C194 PolarHBondContact OE1-N 3.2Å
140	N	98.8	Very high	98.6	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.048	12%	0.115	C	C	.	.	H	α-helix	trans	-75	-28.1	179.5	-76.1	-79.9	0	0	0	112.8	M131 C136 S137 N138 K143 T144 Y334 I348	M131-N140 HydrophobicContact CE-CB 3.76Å; M131-N140 HydrophobicContact SD-CB 4.23Å; M131-N140 PolarHBondContact SD-ND2 3Å; C136-N140 WeakPolarHBondContact O-CB 3.42Å; C136-N140 PolarHBondContact O-N 3.03Å; C136-N140 VanDerWaalsContact O-N 3.11Å; C136-N140 PolarHBondContact O-ND2 3.29Å; S137-N140 PolarHBondContact O-N 3.08Å; N138-N140 VanDerWaalsContact C-N 3.34Å; N138-N140 PolarHBondContact O-N 3.24Å; N140-K143 PolarHBondContact O-N 3.36Å; N140-K143 WeakPolarHBondContact OD1-CE 2.8Å; N140-K143 PolarHBondContact OD1-NZ 3.24Å; N140-T144 WeakPolarHBondContact O-CB 3.16Å; N140-T144 PolarHBondContact O-N 3.26Å; N140-T144 PolarHBondContact O-OG1 3.41Å; N140-Y334 HydrophobicContact CB-CE1 3.74Å; N140-I348 HydrophobicContact CB-CG2 4.23Å
141	A	98.9	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-44.2	167.2	0	0	0	0	0	111.4	S137 N138 T144 A145 I294 I322 T324 Y334	S137-A141 WeakPolarHBondContact O-CB 3.36Å; S137-A141 PolarHBondContact O-N 2.87Å; N138-A141 WeakPolarHBondContact O-CB 3.31Å; N138-A141 PolarHBondContact O-N 2.85Å; A141-T144 WeakPolarHBondContact O-CB 3.27Å; A141-T144 PolarHBondContact O-N 2.95Å; A141-A145 PolarHBondContact O-N 3.14Å; A141-I294 HydrophobicContact CB-CG2 4.3Å; A141-I322 HydrophobicContact CB-CD1 4.1Å; A141-I322 HydrophobicContact CB-CG2 3.76Å; A141-I322 VanDerWaalsContact O-CD1 3.32Å; A141-I322 WeakPolarHBondContact O-CD1 3.49Å; A141-T324 HydrophobicContact CB-CG2 3.61Å; A141-Y334 HydrophobicContact CB-CG 4.47Å
142	F	98.9	Very high	98.3	Very high	2 Å²	2	29 Å²	29	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-49.4	175	-55.2	-29.8	0	0	0	111.2	N138 E139 T144 A145 F146 I180 A193 T197 I261 I294	N138-F142 HydrophobicContact CB-CE2 4.29Å; N138-F142 HydrophobicContact CB-CZ 4.06Å; N138-F142 WeakPolarHBondContact O-CD1 3.4Å; N138-F142 VanDerWaalsContact O-CD2 3.28Å; N138-F142 WeakPolarHBondContact O-CD2 3.38Å; N138-F142 WeakPolarHBondContact O-CG 3.23Å; N138-F142 PolarHBondContact O-N 3.32Å; E139-F142 WeakPolarHBondContact O-CB 3.37Å; E139-F142 PolarHBondContact O-N 3.44Å; F142-T144 VanDerWaalsContact C-N 3.29Å; F142-T144 PolarHBondContact O-N 3.14Å; F142-A145 PolarHBondContact O-N 3.21Å; F142-A145 VanDerWaalsContact O-N 3.15Å; F142-F146 HydrophobicContact CB-CD2 4.41Å; F142-F146 HydrophobicContact CB-CE2 3.92Å; F142-F146 HydrophobicContact CB-CZ 4.47Å; F142-F146 WeakPolarHBondContact O-CD2 3.26Å; F142-F146 VanDerWaalsContact O-CG 3.25Å; F142-F146 WeakPolarHBondContact O-CG 3.44Å; F142-F146 PolarHBondContact O-N 3.48Å; F142-I180 HydrophobicContact CB-CD1 4.45Å; F142-I180 HydrophobicContact CB-CG1 4.26Å; F142-I180 HydrophobicContact CD1-CD1 4.07Å; F142-I180 HydrophobicContact CD1-CG1 3.83Å; F142-I180 HydrophobicContact CD1-CG2 4.24Å; F142-I180 HydrophobicContact CE1-CG1 4.39Å; F142-I180 HydrophobicContact CE1-CG2 4.01Å; F142-I180 HydrophobicContact CG-CG1 4.06Å; F142-A193 HydrophobicContact CD2-CB 3.97Å; F142-A193 HydrophobicContact CE2-CB 4.27Å; F142-T197 HydrophobicContact CE2-CG2 4.4Å; F142-T197 HydrophobicContact CZ-CG2 4.1Å; F142-I261 HydrophobicContact CE1-CB 4.15Å; F142-I261 HydrophobicContact CE1-CD1 3.55Å; F142-I261 HydrophobicContact CE1-CG1 4.38Å; F142-I261 HydrophobicContact CE1-CG2 4.26Å; F142-I261 HydrophobicContact CZ-CD1 3.7Å; F142-I294 HydrophobicContact CD1-CD1 3.85Å; F142-I294 HydrophobicContact CE1-CD1 4.23Å
143	K	98.6	Very high	98.2	Very high	78 Å²	78	29.9 Å²	29.9	34%	0.339	15%	0.151	S	C	.	.	H	α-helix	trans	-56.1	-44	175	-72.3	-167.7	-61.6	169.2	0	112	E139 N140 A145 F146 I147 R347 I348	E139-K143 PolarHBondContact O-N 3.08Å; N140-K143 PolarHBondContact O-N 3.36Å; N140-K143 WeakPolarHBondContact OD1-CE 2.8Å; N140-K143 PolarHBondContact OD1-NZ 3.24Å; K143-A145 PolarHBondContact O-N 3.07Å; K143-F146 PolarHBondContact O-N 3.22Å; K143-I147 WeakPolarHBondContact O-CB 3.36Å; K143-I147 WeakPolarHBondContact O-CG1 3.33Å; K143-I147 PolarHBondContact O-N 2.67Å; K143-R347 PolarHBondContact NZ-O 2.75Å; K143-I348 HydrophobicContact CB-CD1 3.72Å
144	T	98.8	Very high	98.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-46.6	177.5	-58.4	0	0	0	0	110.9	N140 A141 F142 I147 W148 I322 Y334 L340 V342	N140-T144 WeakPolarHBondContact O-CB 3.16Å; N140-T144 PolarHBondContact O-N 3.26Å; N140-T144 PolarHBondContact O-OG1 3.41Å; A141-T144 WeakPolarHBondContact O-CB 3.27Å; A141-T144 PolarHBondContact O-N 2.95Å; F142-T144 VanDerWaalsContact C-N 3.29Å; F142-T144 PolarHBondContact O-N 3.14Å; T144-I147 PolarHBondContact O-N 3.17Å; T144-W148 VanDerWaalsContact O-CB 3.29Å; T144-W148 WeakPolarHBondContact O-CB 3.44Å; T144-W148 PolarHBondContact O-N 2.77Å; T144-I322 HydrophobicContact CG2-CD1 4.3Å; T144-Y334 HydrophobicContact CG2-CE2 4.32Å; T144-Y334 PolarHBondContact OG1-OH 2.87Å; T144-L340 HydrophobicContact CG2-CB 4.05Å; T144-L340 HydrophobicContact CG2-CD2 4.23Å; T144-L340 WeakPolarHBondContact CG2-O 3.44Å; T144-V342 HydrophobicContact CG2-CG2 4.38Å
145	A	98.8	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-43.1	176.5	0	0	0	0	0	112.4	A141 F142 K143 W148 Y149 A292 I294 I322	A141-A145 PolarHBondContact O-N 3.14Å; F142-A145 PolarHBondContact O-N 3.21Å; F142-A145 VanDerWaalsContact O-N 3.15Å; K143-A145 PolarHBondContact O-N 3.07Å; A145-W148 PolarHBondContact O-N 3.03Å; A145-Y149 VanDerWaalsContact O-CB 3.3Å; A145-Y149 WeakPolarHBondContact O-CB 3.2Å; A145-Y149 PolarHBondContact O-N 3.13Å; A145-A292 HydrophobicContact CB-CB 4.16Å; A145-I294 HydrophobicContact CB-CD1 4.2Å; A145-I322 HydrophobicContact CB-CD1 4.34Å
146	F	98.6	Very high	97.6	Very high	43 Å²	43	36.8 Å²	36.8	19%	0.189	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-44.8	176.7	-63.8	-41.5	0	0	0	112.6	F142 K143 Y149 R150 L178 I180 W213 A258	F142-F146 HydrophobicContact CB-CD2 4.41Å; F142-F146 HydrophobicContact CB-CE2 3.92Å; F142-F146 HydrophobicContact CB-CZ 4.47Å; F142-F146 WeakPolarHBondContact O-CD2 3.26Å; F142-F146 VanDerWaalsContact O-CG 3.25Å; F142-F146 WeakPolarHBondContact O-CG 3.44Å; F142-F146 PolarHBondContact O-N 3.48Å; K143-F146 PolarHBondContact O-N 3.22Å; F146-Y149 PolarHBondContact O-N 3.09Å; F146-R150 PolarHBondContact O-N 3.32Å; F146-L178 HydrophobicContact CB-CD1 4.12Å; F146-L178 HydrophobicContact CD1-CB 3.57Å; F146-L178 HydrophobicContact CD1-CD1 3.85Å; F146-L178 HydrophobicContact CD1-CG 4.37Å; F146-L178 HydrophobicContact CE1-CB 3.69Å; F146-L178 HydrophobicContact CG-CB 4.5Å; F146-L178 HydrophobicContact CG-CD1 4.37Å; F146-I180 HydrophobicContact CD1-CD1 4.46Å; F146-I180 HydrophobicContact CE1-CD1 3.69Å; F146-I180 HydrophobicContact CE1-CG1 3.88Å; F146-I180 HydrophobicContact CE2-CG1 4.46Å; F146-I180 HydrophobicContact CZ-CD1 3.84Å; F146-I180 HydrophobicContact CZ-CG1 3.57Å; F146-W213 HydrophobicContact CE2-CH2 4.13Å; F146-W213 HydrophobicContact CE2-CZ2 4.22Å; F146-W213 AromaticContact CZ-CH2 3.73Å; F146-W213 HydrophobicContact CZ-CH2 3.73Å; F146-W213 AromaticContact CZ-CZ2 3.65Å; F146-W213 HydrophobicContact CZ-CZ2 3.65Å; F146-A258 HydrophobicContact CD1-CB 3.56Å; F146-A258 HydrophobicContact CE1-CB 3.91Å
147	I	98.1	Very high	97.4	Very high	17 Å²	17	41.8 Å²	41.8	9%	0.087	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-47.6	177.7	-70	170.3	0	0	0	110.3	K143 T144 Y149 R150 T151 V342 R347 I348	K143-I147 WeakPolarHBondContact O-CB 3.36Å; K143-I147 WeakPolarHBondContact O-CG1 3.33Å; K143-I147 PolarHBondContact O-N 2.67Å; T144-I147 PolarHBondContact O-N 3.17Å; I147-Y149 VanDerWaalsContact C-N 3.35Å; I147-Y149 PolarHBondContact O-N 2.91Å; I147-R150 PolarHBondContact O-N 3.05Å; I147-T151 VanDerWaalsContact O-CB 3.29Å; I147-T151 WeakPolarHBondContact O-CB 3.49Å; I147-T151 PolarHBondContact O-N 3.35Å; I147-T151 PolarHBondContact O-OG1 3.32Å; I147-V342 HydrophobicContact CB-CG2 4.35Å; I147-V342 HydrophobicContact CD1-CG1 4.26Å; I147-V342 HydrophobicContact CD1-CG2 4.17Å; I147-V342 HydrophobicContact CG2-CG1 4.16Å; I147-V342 HydrophobicContact CG2-CG2 3.95Å; I147-R347 HydrophobicContact CD1-CB 4.08Å; I147-R347 VanDerWaalsContact CG2-NH1 3.34Å; I147-I348 HydrophobicContact CD1-CD1 4.15Å
148	W	98	Very high	97.2	Very high	17 Å²	17	47.7 Å²	47.7	6%	0.064	23%	0.23	C	C	.	.	H	α-helix	trans	-57.5	-47.3	175.5	168	85.1	0	0	0	111.5	T144 A145 T151 K152 G290 A292 E321 D339 L340	T144-W148 VanDerWaalsContact O-CB 3.29Å; T144-W148 WeakPolarHBondContact O-CB 3.44Å; T144-W148 PolarHBondContact O-N 2.77Å; A145-W148 PolarHBondContact O-N 3.03Å; W148-T151 PolarHBondContact O-N 3.28Å; W148-K152 HydrophobicContact CD2-CD 4.49Å; W148-K152 VanDerWaalsContact NE1-CE 3.26Å; W148-K152 WeakPolarHBondContact O-CG 3.35Å; W148-K152 PolarHBondContact O-N 2.88Å; W148-G290 WeakPolarHBondContact CH2-O 3.49Å; W148-G290 WeakPolarHBondContact CZ3-O 3.35Å; W148-A292 HydrophobicContact CE3-CB 4.3Å; W148-A292 HydrophobicContact CH2-CB 4.05Å; W148-A292 HydrophobicContact CZ3-CB 3.77Å; W148-E321 HydrophobicContact CH2-CG 4.42Å; W148-E321 HydrophobicContact CZ2-CG 4.18Å; W148-D339 VanDerWaalsContact CD1-O 3.29Å; W148-D339 PolarHBondContact NE1-OD2 3.12Å; W148-L340 HydrophobicContact CB-CG 4.14Å; W148-L340 HydrophobicContact CD2-CD1 4.44Å; W148-L340 HydrophobicContact CD2-CG 4.15Å; W148-L340 HydrophobicContact CG-CD1 4.39Å; W148-L340 HydrophobicContact CG-CD2 4.48Å; W148-L340 HydrophobicContact CG-CG 3.77Å; W148-L340 HydrophobicContact CZ2-CD1 4.25Å
149	Y	98.2	Very high	97	Very high	21 Å²	21	49.4 Å²	49.4	8%	0.082	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-48	-179.3	-162.1	-86.8	0	0	0	112.1	A145 F146 I147 T151 K152 Q153 L178 H256 A258	A145-Y149 VanDerWaalsContact O-CB 3.3Å; A145-Y149 WeakPolarHBondContact O-CB 3.2Å; A145-Y149 PolarHBondContact O-N 3.13Å; F146-Y149 PolarHBondContact O-N 3.09Å; I147-Y149 VanDerWaalsContact C-N 3.35Å; I147-Y149 PolarHBondContact O-N 2.91Å; Y149-T151 VanDerWaalsContact C-N 3.34Å; Y149-T151 PolarHBondContact O-N 2.86Å; Y149-K152 WeakPolarHBondContact O-CB 3.28Å; Y149-K152 PolarHBondContact O-N 2.72Å; Y149-Q153 HydrophobicContact CD1-CG 4.22Å; Y149-Q153 HydrophobicContact CE1-CG 4.12Å; Y149-Q153 PolarHBondContact O-N 3.41Å; Y149-L178 HydrophobicContact CD1-CD1 4.18Å; Y149-L178 HydrophobicContact CD1-CD2 3.85Å; Y149-L178 HydrophobicContact CE1-CD2 4.03Å; Y149-H256 HydrophobicContact CE1-CB 3.82Å; Y149-H256 PolarHBondContact OH-ND1 2.91Å; Y149-A258 HydrophobicContact CD1-CB 4.45Å; Y149-A258 HydrophobicContact CD2-CB 3.97Å; Y149-A258 HydrophobicContact CG-CB 3.85Å
150	R	97.4	Very high	97	Very high	35 Å²	35	50.7 Å²	50.7	13%	0.132	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-35.8	176	-72.1	-52.4	-55.7	-85.1	2.9	112.8	F146 I147 K152 Q153 R154 E163 P173 P176 L178	F146-R150 PolarHBondContact O-N 3.32Å; I147-R150 PolarHBondContact O-N 3.05Å; R150-K152 VanDerWaalsContact C-N 3.31Å; R150-K152 PolarHBondContact O-N 2.77Å; R150-Q153 VanDerWaalsContact CD-OE1 3.24Å; R150-Q153 PolarHBondContact O-N 3.19Å; R150-R154 PolarHBondContact O-N 2.94Å; R150-E163 IonicContact CZ-OE1 4Å; R150-E163 IonicContact NH1-OE1 2.65Å; R150-E163 IonicContact NH2-OE1 3.53Å; R150-E163 PolarHBondContact NH2-OE1 3.35Å; R150-P173 PolarHBondContact NH1-O 2.57Å; R150-P176 HydrophobicContact CG-CG 3.93Å; R150-P176 VanDerWaalsContact NH1-CB 3.33Å; R150-L178 HydrophobicContact CG-CD1 3.85Å
151	T	96.4	Very high	96.9	Very high	47 Å²	47	56 Å²	56	29%	0.288	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-40.5	176.4	-58.1	0	0	0	0	110.7	I147 W148 Y149 R154 E155 G156	I147-T151 VanDerWaalsContact O-CB 3.29Å; I147-T151 WeakPolarHBondContact O-CB 3.49Å; I147-T151 PolarHBondContact O-N 3.35Å; I147-T151 PolarHBondContact O-OG1 3.32Å; W148-T151 PolarHBondContact O-N 3.28Å; Y149-T151 VanDerWaalsContact C-N 3.34Å; Y149-T151 PolarHBondContact O-N 2.86Å; T151-R154 CarbonylContact O-C 3.56Å; T151-R154 PolarHBondContact O-N 3.32Å; T151-E155 PolarHBondContact O-N 3.11Å; T151-G156 PolarHBondContact O-N 3.16Å
152	K	96.2	Very high	96.9	Very high	103 Å²	103	62.1 Å²	62.1	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-45.2	172.1	-70.4	-174.2	-173.7	180	0	112.9	W148 Y149 R150 R154 E155	W148-K152 HydrophobicContact CD2-CD 4.49Å; W148-K152 VanDerWaalsContact NE1-CE 3.26Å; W148-K152 WeakPolarHBondContact O-CG 3.35Å; W148-K152 PolarHBondContact O-N 2.88Å; Y149-K152 WeakPolarHBondContact O-CB 3.28Å; Y149-K152 PolarHBondContact O-N 2.72Å; R150-K152 VanDerWaalsContact C-N 3.31Å; R150-K152 PolarHBondContact O-N 2.77Å; K152-R154 PolarHBondContact O-N 2.84Å; K152-E155 WeakPolarHBondContact O-CA 3.29Å; K152-E155 PolarHBondContact O-N 2.94Å
153	Q	95.2	Very high	96.9	Very high	90 Å²	90	62.8 Å²	62.8	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-31.2	178.1	-73.8	-173.4	-37.2	0	0	112.6	Y149 R150 E155	Y149-Q153 HydrophobicContact CD1-CG 4.22Å; Y149-Q153 HydrophobicContact CE1-CG 4.12Å; Y149-Q153 PolarHBondContact O-N 3.41Å; R150-Q153 VanDerWaalsContact CD-OE1 3.24Å; R150-Q153 PolarHBondContact O-N 3.19Å; Q153-E155 VanDerWaalsContact C-N 3.27Å
154	R	95.9	Very high	96.9	Very high	36 Å²	36	63.2 Å²	63.2	14%	0.136	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.9	171.8	-71.1	-168.5	-64.2	-96.3	-12.2	113.9	R150 T151 K152 G156 K157 E163	R150-R154 PolarHBondContact O-N 2.94Å; T151-R154 CarbonylContact O-C 3.56Å; T151-R154 PolarHBondContact O-N 3.32Å; K152-R154 PolarHBondContact O-N 2.84Å; R154-G156 PolarHBondContact O-N 2.85Å; R154-K157 HydrophobicContact CB-CB 4.35Å; R154-K157 PolarHBondContact NE-O 3.39Å; R154-K157 VanDerWaalsContact O-CB 3.23Å; R154-K157 WeakPolarHBondContact O-CB 3.35Å; R154-K157 WeakPolarHBondContact O-CD 3.41Å; R154-K157 VanDerWaalsContact O-CG 3.26Å; R154-K157 WeakPolarHBondContact O-CG 3.4Å; R154-K157 PolarHBondContact O-N 3.18Å; R154-E163 WeakPolarHBondContact CD-OE2 3.5Å; R154-E163 IonicContact CZ-OE2 2.62Å; R154-E163 IonicContact NE-OE2 3.61Å; R154-E163 IonicContact NH1-OE1 2.88Å; R154-E163 PolarHBondContact NH1-OE1 3.42Å; R154-E163 IonicContact NH1-OE2 3.43Å; R154-E163 PolarHBondContact NH1-OE2 3.21Å
155	E	95.4	Very high	96.9	Very high	152 Å²	152	68.7 Å²	68.7	71%	0.71	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	34.2	-177.5	-54.6	170	158.7	0	0	112.8	T151 K152 Q153 K157	T151-E155 PolarHBondContact O-N 3.11Å; K152-E155 WeakPolarHBondContact O-CA 3.29Å; K152-E155 PolarHBondContact O-N 2.94Å; Q153-E155 VanDerWaalsContact C-N 3.27Å; E155-K157 VanDerWaalsContact C-N 3.3Å; E155-K157 PolarHBondContact O-N 2.68Å; E155-K157 IonicContact OE2-NZ 3.37Å; E155-K157 PolarHBondContact OE2-NZ 2.85Å
156	G	92.3	Very high	96.9	Very high	48 Å²	48	69.5 Å²	69.5	50%	0.495	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	0.8	-177.7	0	0	0	0	0	115.5	T151 R154	T151-G156 PolarHBondContact O-N 3.16Å; R154-G156 PolarHBondContact O-N 2.85Å
157	K	94.4	Very high	96.8	Very high	133 Å²	133	69.5 Å²	69.5	58%	0.578	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-69.5	149.7	175	-61	164.5	-173.9	149.9	0	111.2	R154 E155	R154-K157 HydrophobicContact CB-CB 4.35Å; R154-K157 PolarHBondContact NE-O 3.39Å; R154-K157 VanDerWaalsContact O-CB 3.23Å; R154-K157 WeakPolarHBondContact O-CB 3.35Å; R154-K157 WeakPolarHBondContact O-CD 3.41Å; R154-K157 VanDerWaalsContact O-CG 3.26Å; R154-K157 WeakPolarHBondContact O-CG 3.4Å; R154-K157 PolarHBondContact O-N 3.18Å; E155-K157 VanDerWaalsContact C-N 3.3Å; E155-K157 PolarHBondContact O-N 2.68Å; E155-K157 IonicContact OE2-NZ 3.37Å; E155-K157 PolarHBondContact OE2-NZ 2.85Å
158	E	93.7	Very high	96.8	Very high	124 Å²	124	75.7 Å²	75.7	58%	0.579	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-63	157.1	172.9	-67.6	-57.7	139.7	0	0	111.3	Q344	E158-Q344 PolarHBondContact OE1-NE2 3.17Å; E158-Q344 PolarHBondContact OE2-NE2 2.99Å
159	P	96.1	Very high	96.9	Very high	37 Å²	37	80.9 Å²	80.9	24%	0.24	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-57.5	145.8	175.9	-23.7	34.7	0	0	0	113	E163 L164	P159-E163 WeakPolarHBondContact CA-OE2 3.39Å; P159-E163 HydrophobicContact CB-CB 4.24Å; P159-E163 WeakPolarHBondContact CB-OE2 3.5Å; P159-L164 HydrophobicContact CB-CD2 4.02Å; P159-L164 HydrophobicContact CB-CG 4.2Å
160	T	97.3	Very high	96.8	Very high	71 Å²	71	86.5 Å²	86.5	44%	0.436	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-74.1	161.8	174.7	68.5	0	0	0	0	111.1	E162 E163 L164	T160-E162 VanDerWaalsContact C-N 3.27Å; T160-E162 PolarHBondContact O-N 3.4Å; T160-E163 PolarHBondContact N-OE2 2.96Å; T160-E163 WeakPolarHBondContact O-CB 3.36Å; T160-E163 PolarHBondContact O-N 3.4Å; T160-E163 VanDerWaalsContact O-N 3.11Å; T160-E163 WeakPolarHBondContact OG1-CG 3.41Å; T160-E163 PolarHBondContact OG1-N 3.17Å; T160-L164 WeakPolarHBondContact O-CG 3.45Å; T160-L164 PolarHBondContact O-N 2.98Å
161	Q	98.3	Very high	96.9	Very high	120 Å²	120	90.6 Å²	90.6	56%	0.561	46%	0.455	S	S	*	.	H	α-helix	trans	-58.3	-40.4	175.3	-173.2	60.3	27.3	0	0	112.1	E163 L164 E165	Q161-E163 PolarHBondContact O-N 3.3Å; Q161-L164 WeakPolarHBondContact O-CB 3.32Å; Q161-L164 PolarHBondContact O-N 3.35Å; Q161-L164 VanDerWaalsContact O-N 3.17Å; Q161-E165 HydrophobicContact CG-CG 4.49Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.43Å; Q161-E165 PolarHBondContact NE2-OE1 2.9Å; Q161-E165 WeakPolarHBondContact O-CG 3.47Å; Q161-E165 PolarHBondContact O-N 3.36Å
162	E	98.5	Very high	96.9	Very high	128 Å²	128	92.4 Å²	92.4	60%	0.598	47%	0.468	S	S	*	.	H	α-helix	trans	-61.1	-40.9	174.6	-174.6	-170.7	176.6	0	0	112.2	T160 L164 E165 S166 P173	T160-E162 VanDerWaalsContact C-N 3.27Å; T160-E162 PolarHBondContact O-N 3.4Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-E165 PolarHBondContact O-N 3.16Å; E162-S166 VanDerWaalsContact O-CB 3.25Å; E162-S166 WeakPolarHBondContact O-CB 3.5Å; E162-S166 PolarHBondContact O-N 3.13Å; E162-S166 PolarHBondContact O-OG 2.91Å; E162-P173 HydrophobicContact CG-CG 3.9Å; E162-P173 WeakPolarHBondContact OE1-CD 3.07Å
163	E	98.3	Very high	97	Very high	16 Å²	16	89.2 Å²	89.2	8%	0.075	46%	0.458	C	S	.	.	H	α-helix	trans	-64.1	-39.9	174.3	-73.4	178.3	157.2	0	0	111.9	R150 R154 P159 T160 Q161 C167 P173 G174	R150-E163 IonicContact CZ-OE1 4Å; R150-E163 IonicContact NH1-OE1 2.65Å; R150-E163 IonicContact NH2-OE1 3.53Å; R150-E163 PolarHBondContact NH2-OE1 3.35Å; R154-E163 WeakPolarHBondContact CD-OE2 3.5Å; R154-E163 IonicContact CZ-OE2 2.62Å; R154-E163 IonicContact NE-OE2 3.61Å; R154-E163 IonicContact NH1-OE1 2.88Å; R154-E163 PolarHBondContact NH1-OE1 3.42Å; R154-E163 IonicContact NH1-OE2 3.43Å; R154-E163 PolarHBondContact NH1-OE2 3.21Å; P159-E163 WeakPolarHBondContact CA-OE2 3.39Å; P159-E163 HydrophobicContact CB-CB 4.24Å; P159-E163 WeakPolarHBondContact CB-OE2 3.5Å; T160-E163 PolarHBondContact N-OE2 2.96Å; T160-E163 WeakPolarHBondContact O-CB 3.36Å; T160-E163 PolarHBondContact O-N 3.4Å; T160-E163 VanDerWaalsContact O-N 3.11Å; T160-E163 WeakPolarHBondContact OG1-CG 3.41Å; T160-E163 PolarHBondContact OG1-N 3.17Å; Q161-E163 PolarHBondContact O-N 3.3Å; E163-C167 WeakPolarHBondContact O-CB 3.42Å; E163-C167 PolarHBondContact O-N 3.36Å; E163-C167 PolarHBondContact O-SG 2.85Å; E163-C167 VanDerWaalsContact O-SG 3.41Å; E163-P173 HydrophobicContact CG-CB 3.99Å; E163-P173 HydrophobicContact CG-CG 3.84Å; E163-G174 WeakPolarHBondContact O-CA 3.35Å
164	L	98.2	Very high	97.1	Very high	88 Å²	88	85.9 Å²	85.9	46%	0.461	45%	0.448	S	S	.	.	H	α-helix	trans	-66	-41.6	177.9	-67.5	174.3	0	0	0	111.6	P159 T160 Q161 E162 C167	P159-L164 HydrophobicContact CB-CD2 4.02Å; P159-L164 HydrophobicContact CB-CG 4.2Å; T160-L164 WeakPolarHBondContact O-CG 3.45Å; T160-L164 PolarHBondContact O-N 2.98Å; Q161-L164 WeakPolarHBondContact O-CB 3.32Å; Q161-L164 PolarHBondContact O-N 3.35Å; Q161-L164 VanDerWaalsContact O-N 3.17Å; E162-L164 VanDerWaalsContact C-N 3.34Å; L164-C167 PolarHBondContact O-SG 3.4Å
165	E	98.7	Very high	97.2	Very high	117 Å²	117	86.2 Å²	86.2	55%	0.547	46%	0.455	S	S	.	.	H	α-helix	trans	-74.2	-49.6	-179.8	-71	169.7	-177.9	0	0	112.1	Q161 E162 C167 M168	Q161-E165 HydrophobicContact CG-CG 4.49Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.43Å; Q161-E165 PolarHBondContact NE2-OE1 2.9Å; Q161-E165 WeakPolarHBondContact O-CG 3.47Å; Q161-E165 PolarHBondContact O-N 3.36Å; E162-E165 PolarHBondContact O-N 3.16Å; E165-C167 VanDerWaalsContact C-N 3.31Å; E165-C167 PolarHBondContact O-N 3.37Å; E165-M168 PolarHBondContact O-N 2.81Å
166	S	98.7	Very high	97.3	Very high	17 Å²	17	81 Å²	81	12%	0.119	44%	0.435	C	S	.	.	H	α-helix	trans	-66.1	-29.1	-176.6	57.8	0	0	0	0	113.7	E162 M168 E169 N170 K171 P173 G174	E162-S166 VanDerWaalsContact O-CB 3.25Å; E162-S166 WeakPolarHBondContact O-CB 3.5Å; E162-S166 PolarHBondContact O-N 3.13Å; E162-S166 PolarHBondContact O-OG 2.91Å; S166-M168 VanDerWaalsContact C-N 3.28Å; S166-M168 PolarHBondContact O-N 3.08Å; S166-E169 PolarHBondContact O-N 2.91Å; S166-E169 VanDerWaalsContact O-N 3.16Å; S166-N170 PolarHBondContact O-N 3.48Å; S166-K171 CarbonylContact C-O 3.53Å; S166-K171 PolarHBondContact O-N 2.99Å; S166-P173 WeakPolarHBondContact OG-CD 3.19Å; S166-G174 WeakPolarHBondContact OG-CA 3.44Å; S166-G174 PolarHBondContact OG-N 3.49Å
167	C	98.2	Very high	97.5	Very high	42 Å²	42	82 Å²	82	28%	0.284	43%	0.432	S	S	.	.	H	α-helix	trans	-66.2	-31.4	178.3	72.7	0	0	0	0	112.7	E163 L164 E165 E169 N170	E163-C167 WeakPolarHBondContact O-CB 3.42Å; E163-C167 PolarHBondContact O-N 3.36Å; E163-C167 PolarHBondContact O-SG 2.85Å; E163-C167 VanDerWaalsContact O-SG 3.41Å; L164-C167 PolarHBondContact O-SG 3.4Å; E165-C167 VanDerWaalsContact C-N 3.31Å; E165-C167 PolarHBondContact O-N 3.37Å; C167-E169 PolarHBondContact O-N 3.03Å; C167-N170 PolarHBondContact O-N 3.49Å; C167-N170 VanDerWaalsContact O-N 3.08Å
168	M	98.2	Very high	97.7	Very high	147 Å²	147	76.3 Å²	76.3	72%	0.724	41%	0.408	S	S	*	.	H	α-helix	trans	-66.9	-21.1	176.7	-64.9	-55.7	-58.9	0	0	112.7	E165 S166	E165-M168 PolarHBondContact O-N 2.81Å; S166-M168 VanDerWaalsContact C-N 3.28Å; S166-M168 PolarHBondContact O-N 3.08Å
169	E	98.2	Very high	97.9	Very high	126 Å²	126	70.6 Å²	70.6	59%	0.589	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	9.4	176.6	-61.6	-60.5	137.3	0	0	112.7	S166 C167 K171	S166-E169 PolarHBondContact O-N 2.91Å; S166-E169 VanDerWaalsContact O-N 3.16Å; C167-E169 PolarHBondContact O-N 3.03Å; E169-K171 HydrophobicContact CB-CD 4.02Å; E169-K171 HydrophobicContact CB-CG 4.34Å; E169-K171 PolarHBondContact O-N 3.3Å
170	N	97.8	Very high	98.1	Very high	140 Å²	140	68.8 Å²	68.8	75%	0.749	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	31.4	-173.7	-59.7	-38.9	0	0	0	114.1	S166 C167	S166-N170 PolarHBondContact O-N 3.48Å; C167-N170 PolarHBondContact O-N 3.49Å; C167-N170 VanDerWaalsContact O-N 3.08Å
171	K	98.3	Very high	98.1	Very high	121 Å²	121	65.4 Å²	65.4	53%	0.526	35%	0.349	S	S	.	.			trans	-113.4	153.2	-176.9	-70.9	168.4	-171.1	164.9	0	112.5	S166 E169 G174 S175	S166-K171 CarbonylContact C-O 3.53Å; S166-K171 PolarHBondContact O-N 2.99Å; E169-K171 HydrophobicContact CB-CD 4.02Å; E169-K171 HydrophobicContact CB-CG 4.34Å; E169-K171 PolarHBondContact O-N 3.3Å; K171-G174 PolarHBondContact O-N 2.73Å; K171-S175 PolarHBondContact O-N 3.24Å
172	P	97.3	Very high	98.2	Very high	84 Å²	84	59.8 Å²	59.8	55%	0.545	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	154.5	163.6	-19.8	32.9	0	0	0	111.6
173	P	96.9	Very high	98.2	Very high	37 Å²	37	53.7 Å²	53.7	24%	0.24	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	cis	-80.6	-10.2	0.5	32.3	-36.4	0	0	0	114.8	R150 E162 E163 S166	R150-P173 PolarHBondContact NH1-O 2.57Å; E162-P173 HydrophobicContact CG-CG 3.9Å; E162-P173 WeakPolarHBondContact OE1-CD 3.07Å; E163-P173 HydrophobicContact CG-CB 3.99Å; E163-P173 HydrophobicContact CG-CG 3.84Å; S166-P173 WeakPolarHBondContact OG-CD 3.19Å
174	G	97.9	Very high	98.2	Very high	20 Å²	20	57 Å²	57	21%	0.206	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-40.1	-177.2	0	0	0	0	0	114.4	E163 S166 K171 P176	E163-G174 WeakPolarHBondContact O-CA 3.35Å; S166-G174 WeakPolarHBondContact OG-CA 3.44Å; S166-G174 PolarHBondContact OG-N 3.49Å; K171-G174 PolarHBondContact O-N 2.73Å; G174-P176 VanDerWaalsContact O-CD 3.22Å; G174-P176 WeakPolarHBondContact O-CD 3.44Å
175	S	97.9	Very high	98.2	Very high	43 Å²	43	53.3 Å²	53.3	30%	0.301	29%	0.292	S	S	.	.	S	Bend	trans	-107.4	85.2	171.9	-66.4	0	0	0	0	109.7	K171	K171-S175 PolarHBondContact O-N 3.24Å
176	P	97.2	Very high	98.2	Very high	42 Å²	42	47.8 Å²	47.8	27%	0.273	27%	0.266	S	S	.	.			trans	-70.9	153.5	-173.8	29.7	-37.1	0	0	0	112.7	R150 G174 L178	R150-P176 HydrophobicContact CG-CG 3.93Å; R150-P176 VanDerWaalsContact NH1-CB 3.33Å; G174-P176 VanDerWaalsContact O-CD 3.22Å; G174-P176 WeakPolarHBondContact O-CD 3.44Å; P176-L178 HydrophobicContact CB-CG 4.02Å; P176-L178 HydrophobicContact CG-CD1 4.02Å; P176-L178 HydrophobicContact CG-CG 3.91Å; P176-L178 PolarHBondContact O-N 2.84Å
177	P	97.1	Very high	98.2	Very high	69 Å²	69	48.7 Å²	48.7	45%	0.448	27%	0.268	S	S	.	.			trans	-78.2	47.4	175.8	35.8	-37.6	0	0	0	112.2	C255	P177-C255 CarbonylContact O-C 3.46Å; P177-C255 WeakPolarHBondContact O-CA 3.5Å
178	L	98.5	Very high	98.2	Very high	14 Å²	14	46.9 Å²	46.9	7%	0.073	26%	0.255	C	S	.	.			trans	-73.7	152.8	175.2	-63.9	-178.3	0	0	0	110.9	F146 Y149 R150 P176 W213 H256 A258	F146-L178 HydrophobicContact CB-CD1 4.12Å; F146-L178 HydrophobicContact CD1-CB 3.57Å; F146-L178 HydrophobicContact CD1-CD1 3.85Å; F146-L178 HydrophobicContact CD1-CG 4.37Å; F146-L178 HydrophobicContact CE1-CB 3.69Å; F146-L178 HydrophobicContact CG-CB 4.5Å; F146-L178 HydrophobicContact CG-CD1 4.37Å; Y149-L178 HydrophobicContact CD1-CD1 4.18Å; Y149-L178 HydrophobicContact CD1-CD2 3.85Å; Y149-L178 HydrophobicContact CE1-CD2 4.03Å; R150-L178 HydrophobicContact CG-CD1 3.85Å; P176-L178 HydrophobicContact CB-CG 4.02Å; P176-L178 HydrophobicContact CG-CD1 4.02Å; P176-L178 HydrophobicContact CG-CG 3.91Å; P176-L178 PolarHBondContact O-N 2.84Å; L178-W213 PolarHBondContact O-NE1 2.89Å; L178-H256 WeakPolarHBondContact CA-O 3.42Å; L178-H256 HydrophobicContact CD2-CB 3.77Å; L178-A258 HydrophobicContact CB-CB 4.28Å; L178-A258 HydrophobicContact CD1-CB 4.15Å
179	T	98.9	Very high	98.3	Very high	3 Å²	3	40 Å²	40	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.8	-176.6	69.2	0	0	0	0	112.5	W213 W250 C255 H256 V257 A258	T179-W213 VanDerWaalsContact CG2-CD1 3.42Å; T179-W213 HydrophobicContact CG2-CG 4.24Å; T179-W250 HydrophobicContact CG2-CE3 3.68Å; T179-W250 HydrophobicContact CG2-CZ3 3.71Å; T179-C255 HydrophobicContact CG2-CB 4.24Å; T179-H256 PolarHBondContact N-O 3.33Å; T179-H256 PolarHBondContact OG1-O 2.85Å; T179-V257 WeakPolarHBondContact OG1-CA 3.45Å; T179-A258 PolarHBondContact O-N 3.11Å
180	I	98.9	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.2	167.1	-59.7	-63.1	0	0	0	107.8	F142 F146 T197 W213 G259 I261 I294	F142-I180 HydrophobicContact CB-CD1 4.45Å; F142-I180 HydrophobicContact CB-CG1 4.26Å; F142-I180 HydrophobicContact CD1-CD1 4.07Å; F142-I180 HydrophobicContact CD1-CG1 3.83Å; F142-I180 HydrophobicContact CD1-CG2 4.24Å; F142-I180 HydrophobicContact CE1-CG1 4.39Å; F142-I180 HydrophobicContact CE1-CG2 4.01Å; F142-I180 HydrophobicContact CG-CG1 4.06Å; F146-I180 HydrophobicContact CD1-CD1 4.46Å; F146-I180 HydrophobicContact CE1-CD1 3.69Å; F146-I180 HydrophobicContact CE1-CG1 3.88Å; F146-I180 HydrophobicContact CE2-CG1 4.46Å; F146-I180 HydrophobicContact CZ-CD1 3.84Å; F146-I180 HydrophobicContact CZ-CG1 3.57Å; I180-T197 HydrophobicContact CB-CG2 4.07Å; I180-T197 HydrophobicContact CG2-CG2 3.86Å; I180-W213 HydrophobicContact CB-CD2 4.46Å; I180-W213 HydrophobicContact CB-CE3 3.76Å; I180-W213 HydrophobicContact CB-CH2 4.4Å; I180-W213 HydrophobicContact CB-CZ3 3.74Å; I180-W213 HydrophobicContact CG1-CE3 4.29Å; I180-W213 HydrophobicContact CG1-CH2 4.02Å; I180-W213 HydrophobicContact CG1-CZ3 3.81Å; I180-W213 WeakPolarHBondContact O-CB 3.45Å; I180-G259 CarbonylContact C-O 3.59Å; I180-G259 WeakPolarHBondContact CA-O 3.48Å; I180-I261 HydrophobicContact CG2-CB 4.14Å; I180-I261 HydrophobicContact CG2-CG2 3.65Å; I180-I294 HydrophobicContact CD1-CD1 4.37Å
181	L	98.9	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.6	171.2	-176.1	154.7	0	0	0	109.4	F183 P214 A216 V243 E246 I247 V257 G259 V260 I261	L181-F183 HydrophobicContact CD2-CE2 4.3Å; L181-F183 HydrophobicContact CD2-CZ 4.29Å; L181-P214 WeakPolarHBondContact CA-O 3.47Å; L181-P214 HydrophobicContact CB-CB 4.24Å; L181-P214 HydrophobicContact CB-CG 3.93Å; L181-P214 HydrophobicContact CD1-CB 4.11Å; L181-P214 HydrophobicContact CD1-CG 4.44Å; L181-P214 HydrophobicContact CG-CB 4.07Å; L181-P214 HydrophobicContact CG-CG 4.32Å; L181-A216 HydrophobicContact CD2-CB 4.21Å; L181-V243 HydrophobicContact CD1-CG1 4.37Å; L181-V243 HydrophobicContact CD2-CG1 4.43Å; L181-V243 HydrophobicContact CD2-CG2 4.5Å; L181-E246 HydrophobicContact CD1-CB 3.66Å; L181-I247 HydrophobicContact CD1-CG1 3.9Å; L181-V257 HydrophobicContact CB-CG1 3.75Å; L181-G259 PolarHBondContact N-O 3.14Å; L181-V260 HydrophobicContact CB-CG2 4.01Å; L181-V260 HydrophobicContact CD2-CG1 3.92Å; L181-V260 HydrophobicContact CD2-CG2 4.19Å; L181-V260 WeakPolarHBondContact O-CA 3.41Å; L181-I261 PolarHBondContact O-N 2.61Å
182	S	98.9	Very high	98.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	-176.9	178.6	54.8	0	0	0	0	111.2	T197 H199 P214 K215 A216	S182-T197 VanDerWaalsContact CB-O 3.3Å; S182-T197 WeakPolarHBondContact CB-O 3.39Å; S182-H199 PolarHBondContact OG-NE2 3.4Å; S182-P214 PolarHBondContact N-O 3.35Å; S182-P214 VanDerWaalsContact N-O 3.13Å; S182-K215 CarbonylContact O-C 3.37Å; S182-K215 VanDerWaalsContact O-CA 3.24Å; S182-K215 WeakPolarHBondContact O-CA 3.48Å; S182-A216 PolarHBondContact O-N 3.31Å
183	F	98.9	Very high	98.3	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.4	-171.6	-69.4	-89.7	0	0	0	113	L181 G185 S186 H199 A216 S217 Y218 V243 V260 I261 V262 F278 L282	L181-F183 HydrophobicContact CD2-CE2 4.3Å; L181-F183 HydrophobicContact CD2-CZ 4.29Å; F183-G185 PolarHBondContact O-N 2.92Å; F183-S186 WeakPolarHBondContact O-CB 3.4Å; F183-S186 PolarHBondContact O-N 2.9Å; F183-S186 VanDerWaalsContact O-N 3.08Å; F183-S186 PolarHBondContact O-OG 3.27Å; F183-H199 PolarHBondContact O-CD2 2.99Å; F183-H199 VanDerWaalsContact O-CD2 3.3Å; F183-A216 CarbonylContact C-O 3.54Å; F183-A216 WeakPolarHBondContact CA-O 3.41Å; F183-A216 HydrophobicContact CD1-CB 4.37Å; F183-A216 HydrophobicContact CE1-CB 4.37Å; F183-S217 WeakPolarHBondContact CD1-O 3.41Å; F183-Y218 HydrophobicContact CB-CD2 4.13Å; F183-Y218 AromaticContact CD1-CD2 3.97Å; F183-Y218 HydrophobicContact CD1-CD2 3.97Å; F183-Y218 HydrophobicContact CG-CD2 4.03Å; F183-V243 HydrophobicContact CE1-CG2 3.62Å; F183-V243 HydrophobicContact CZ-CG2 3.95Å; F183-V260 HydrophobicContact CE2-CG1 3.67Å; F183-V260 HydrophobicContact CZ-CG1 4Å; F183-I261 VanDerWaalsContact CD2-O 3.22Å; F183-I261 WeakPolarHBondContact CD2-O 3.1Å; F183-I261 WeakPolarHBondContact CE2-O 3.15Å; F183-V262 HydrophobicContact CD2-CB 4.08Å; F183-V262 HydrophobicContact CD2-CG2 3.89Å; F183-V262 HydrophobicContact CE2-CB 3.71Å; F183-V262 HydrophobicContact CE2-CG2 3.71Å; F183-V262 HydrophobicContact CZ-CG2 4.32Å; F183-F278 HydrophobicContact CE1-CZ 4.22Å; F183-L282 HydrophobicContact CE2-CD2 4.48Å; F183-L282 HydrophobicContact CZ-CD1 4.16Å; F183-L282 HydrophobicContact CZ-CD2 3.99Å
184	K	98.6	Very high	98.4	Very high	86 Å²	86	31.5 Å²	31.5	37%	0.374	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	133.4	170	-66.7	173.8	-168.4	155.2	0	110.1	A216 S217 R220 E242 Q266	K184-A216 PolarHBondContact N-O 2.86Å; K184-S217 PolarHBondContact NZ-OG 3.22Å; K184-R220 PolarHBondContact O-NH2 3.41Å; K184-E242 IonicContact NZ-OE1 3.39Å; K184-Q266 PolarHBondContact O-NE2 3.17Å; K184-Q266 PolarHBondContact O-OE1 3.25Å
185	G	98.1	Very high	98.5	Very high	10 Å²	10	31 Å²	31	10%	0.103	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-3.5	-176.3	0	0	0	0	0	115.8	F183 H199 G269	F183-G185 PolarHBondContact O-N 2.92Å; G185-H199 VanDerWaalsContact CA-O 3.25Å; G185-H199 WeakPolarHBondContact CA-O 3.47Å; G185-H199 PolarHBondContact N-O 3.41Å; G185-H199 VanDerWaalsContact N-O 3.09Å; G185-G269 WeakPolarHBondContact O-CA 3.3Å
186	S	98.8	Very high	98.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.145	C	C	.	.			trans	-66.3	157.9	-177.8	61.8	0	0	0	0	113.9	F183 H188 T197 H199 S200 E263	F183-S186 WeakPolarHBondContact O-CB 3.4Å; F183-S186 PolarHBondContact O-N 2.9Å; F183-S186 VanDerWaalsContact O-N 3.08Å; F183-S186 PolarHBondContact O-OG 3.27Å; S186-H188 WeakPolarHBondContact CB-NE2 3.46Å; S186-T197 PolarHBondContact OG-O 3.1Å; S186-H199 CarbonylContact O-C 3.6Å; S186-H199 PolarHBondContact O-N 3.16Å; S186-H199 PolarHBondContact OG-CD2 3.31Å; S186-H199 PolarHBondContact OG-N 3.45Å; S186-S200 WeakPolarHBondContact O-CB 3.37Å; S186-S200 PolarHBondContact O-N 3.4Å; S186-S200 VanDerWaalsContact O-N 3.09Å; S186-E263 WeakPolarHBondContact CA-OE2 3.49Å
187	F	98.9	Very high	98.6	Very high	36 Å²	36	27.1 Å²	27.1	16%	0.158	13%	0.132	C	C	.	.			trans	-140.4	110.6	164.7	-175.8	-83.1	0	0	0	111.5	R190 T198 E263 E268	F187-R190 HydrophobicContact CE2-CG 4.27Å; F187-R190 HydrophobicContact CZ-CG 4.09Å; F187-T198 HydrophobicContact CB-CG2 4.41Å; F187-T198 HydrophobicContact CD2-CG2 3.81Å; F187-T198 HydrophobicContact CE2-CG2 4.49Å; F187-T198 HydrophobicContact CG-CG2 4.37Å; F187-E263 PolarHBondContact N-OE2 2.9Å; F187-E268 HydrophobicContact CB-CB 3.7Å; F187-E268 HydrophobicContact CB-CG 3.84Å; F187-E268 HydrophobicContact CD1-CG 3.84Å; F187-E268 HydrophobicContact CD2-CB 4.05Å; F187-E268 HydrophobicContact CD2-CG 3.82Å; F187-E268 HydrophobicContact CE1-CG 4.36Å; F187-E268 HydrophobicContact CE2-CG 4.34Å; F187-E268 HydrophobicContact CG-CB 3.89Å; F187-E268 HydrophobicContact CG-CG 3.55Å
188	H	98.9	Very high	98.6	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.014	11%	0.11	C	C	.	.			trans	-117.2	5.3	-177.4	-60.8	-52.3	0	0	0	113.3	N138 S186 C194 T197 T198 I261 D296	N138-H188 PolarHBondContact ND2-O 3.4Å; S186-H188 WeakPolarHBondContact CB-NE2 3.46Å; H188-C194 WeakPolarHBondContact O-CB 3.38Å; H188-C194 PolarHBondContact O-SG 3.37Å; H188-T197 PolarHBondContact CD2-O 2.98Å; H188-T197 VanDerWaalsContact CD2-O 3.31Å; H188-T198 PolarHBondContact N-OG1 3.22Å; H188-I261 HydrophobicContact CB-CD1 4.05Å; H188-D296 IonicContact CE1-OD2 2.84Å; H188-D296 IonicContact CG-OD2 3.7Å; H188-D296 IonicContact ND1-OD2 3.83Å; H188-D296 PolarHBondContact ND1-OD2 2.84Å
189	G	98.6	Very high	98.6	Very high	4 Å²	4	25 Å²	25	4%	0.041	12%	0.116	C	C	.	.			trans	126.5	-171.2	178.7	0	0	0	0	0	113	S135 T198	S135-G189 WeakPolarHBondContact OG-CA 3.36Å; G189-T198 PolarHBondContact N-OG1 3.35Å; G189-T198 PolarHBondContact O-OG1 2.88Å; G189-T198 VanDerWaalsContact O-OG1 3.14Å
190	R	98.6	Very high	98.6	Very high	145 Å²	145	25.9 Å²	25.9	55%	0.547	12%	0.122	S	C	.	.	S	Bend	trans	-130	3.3	-171.4	-58.5	-173	-175.7	-150.4	-1	114.9	S135 F187 L195 H204	S135-R190 PolarHBondContact OG-N 2.92Å; F187-R190 HydrophobicContact CE2-CG 4.27Å; F187-R190 HydrophobicContact CZ-CG 4.09Å; R190-L195 HydrophobicContact CG-CD1 4.47Å; R190-H204 PolarHBondContact NH2-CD2 3.31Å; R190-H204 PolarHBondContact NH2-NE2 2.6Å
191	T	98.6	Very high	98.4	Very high	61 Å²	61	29.4 Å²	29.4	37%	0.374	14%	0.137	S	C	.	.	S	Bend	trans	-75.6	166.5	166.6	52.4	0	0	0	0	110.3	E139 A193 C194 L195	E139-T191 VanDerWaalsContact CG-OG1 3.28Å; E139-T191 WeakPolarHBondContact CG-OG1 3.39Å; E139-T191 VanDerWaalsContact OE1-CB 3.27Å; E139-T191 WeakPolarHBondContact OE1-CB 3.38Å; E139-T191 PolarHBondContact OE1-OG1 2.99Å; T191-A193 PolarHBondContact O-N 3.36Å; T191-C194 CarbonylContact O-C 3.45Å; T191-C194 PolarHBondContact O-N 3.08Å; T191-C194 PolarHBondContact OG1-SG 2.94Å; T191-L195 VanDerWaalsContact O-CB 3.29Å; T191-L195 WeakPolarHBondContact O-CB 3.34Å; T191-L195 PolarHBondContact O-N 2.79Å
192	Y	97.5	Very high	98.4	Very high	112 Å²	112	33.4 Å²	33.4	44%	0.439	17%	0.17	S	C	.	.	H	α-helix	trans	-51.9	-51.3	-164	-170.5	-159.1	0	0	0	115.4	S196 F208 P209 L211	Y192-S196 PolarHBondContact O-N 2.66Å; Y192-S196 PolarHBondContact O-OG 3.43Å; Y192-F208 HydrophobicContact CD2-CD1 4.43Å; Y192-F208 AromaticContact CD2-CE1 3.5Å; Y192-F208 HydrophobicContact CD2-CE1 3.5Å; Y192-F208 VanDerWaalsContact CD2-CE1 3.5Å; Y192-F208 AromaticContact CD2-CZ 3.83Å; Y192-F208 HydrophobicContact CD2-CZ 3.83Å; Y192-F208 HydrophobicContact CE2-CE1 4.27Å; Y192-F208 HydrophobicContact CG-CE1 4.32Å; Y192-F208 HydrophobicContact CG-CZ 4.28Å; Y192-P209 HydrophobicContact CE2-CB 3.94Å; Y192-P209 WeakPolarHBondContact CE2-O 3.4Å; Y192-L211 HydrophobicContact CE1-CD2 4.45Å
193	A	98.4	Very high	98.3	Very high	10 Å²	10	39.7 Å²	39.7	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-78.4	-37.5	179.9	0	0	0	0	0	111.9	E139 F142 T191 L195 S196 T197 L211 W213	E139-A193 PolarHBondContact OE1-N 2.95Å; E139-A193 WeakPolarHBondContact OE2-CB 3.39Å; F142-A193 HydrophobicContact CD2-CB 3.97Å; F142-A193 HydrophobicContact CE2-CB 4.27Å; T191-A193 PolarHBondContact O-N 3.36Å; A193-L195 PolarHBondContact O-N 3.19Å; A193-S196 WeakPolarHBondContact O-CB 3.49Å; A193-S196 PolarHBondContact O-N 2.76Å; A193-S196 VanDerWaalsContact O-N 3.14Å; A193-T197 PolarHBondContact O-N 2.9Å; A193-T197 VanDerWaalsContact O-N 3.08Å; A193-T197 PolarHBondContact O-OG1 3.18Å; A193-L211 HydrophobicContact CB-CD1 3.96Å; A193-W213 HydrophobicContact CB-CH2 3.9Å; A193-W213 HydrophobicContact CB-CZ3 4.1Å
194	C	98.8	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-38.1	173.4	-70.1	0	0	0	0	112.5	S135 N138 E139 H188 T191 S196 T197 T198	S135-C194 PolarHBondContact O-SG 3.3Å; N138-C194 VanDerWaalsContact CB-SG 3.58Å; E139-C194 PolarHBondContact OE1-N 3.2Å; H188-C194 WeakPolarHBondContact O-CB 3.38Å; H188-C194 PolarHBondContact O-SG 3.37Å; T191-C194 CarbonylContact O-C 3.45Å; T191-C194 PolarHBondContact O-N 3.08Å; T191-C194 PolarHBondContact OG1-SG 2.94Å; C194-S196 VanDerWaalsContact C-N 3.35Å; C194-T197 PolarHBondContact O-N 3.49Å; C194-T197 PolarHBondContact O-OG1 3.07Å; C194-T197 VanDerWaalsContact O-OG1 3.05Å; C194-T198 WeakPolarHBondContact O-CB 3.26Å; C194-T198 PolarHBondContact O-N 2.83Å; C194-T198 PolarHBondContact O-OG1 3.44Å
195	L	98.6	Very high	98.2	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-74.7	-31.7	178.9	-163.8	64.3	0	0	0	111	R190 T191 A193 T197 T198 H204 K205 F208	R190-L195 HydrophobicContact CG-CD1 4.47Å; T191-L195 VanDerWaalsContact O-CB 3.29Å; T191-L195 WeakPolarHBondContact O-CB 3.34Å; T191-L195 PolarHBondContact O-N 2.79Å; A193-L195 PolarHBondContact O-N 3.19Å; L195-T197 VanDerWaalsContact C-N 3.28Å; L195-T197 PolarHBondContact O-N 3.38Å; L195-T198 HydrophobicContact CD1-CG2 4.3Å; L195-T198 PolarHBondContact O-N 3.2Å; L195-H204 HydrophobicContact CD1-CB 4.39Å; L195-H204 VanDerWaalsContact CD1-O 3.27Å; L195-H204 WeakPolarHBondContact CD1-O 3.45Å; L195-H204 WeakPolarHBondContact CD2-O 3.39Å; L195-K205 HydrophobicContact CD1-CG 4.37Å; L195-K205 HydrophobicContact CG-CG 4.49Å; L195-K205 WeakPolarHBondContact O-CE 3.49Å; L195-K205 PolarHBondContact O-NZ 3.2Å; L195-F208 HydrophobicContact CB-CD1 4.42Å; L195-F208 HydrophobicContact CB-CE1 4.12Å; L195-F208 HydrophobicContact CD2-CB 4.12Å; L195-F208 HydrophobicContact CD2-CD1 3.24Å; L195-F208 HydrophobicContact CD2-CD2 4.45Å; L195-F208 HydrophobicContact CD2-CE1 3.58Å; L195-F208 HydrophobicContact CD2-CG 3.71Å; L195-F208 HydrophobicContact CD2-CZ 4.37Å; L195-F208 HydrophobicContact CG-CD1 4.24Å; L195-F208 HydrophobicContact CG-CE1 4.4Å
196	S	98.4	Very high	98.1	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-34.9	172.2	-59.7	0	0	0	0	112	Y192 A193 C194 H199 K205 L211	Y192-S196 PolarHBondContact O-N 2.66Å; Y192-S196 PolarHBondContact O-OG 3.43Å; A193-S196 WeakPolarHBondContact O-CB 3.49Å; A193-S196 PolarHBondContact O-N 2.76Å; A193-S196 VanDerWaalsContact O-N 3.14Å; C194-S196 VanDerWaalsContact C-N 3.35Å; S196-H199 PolarHBondContact O-CE1 2.96Å; S196-K205 PolarHBondContact O-NZ 2.75Å; S196-L211 PolarHBondContact OG-N 3.11Å
197	T	98.9	Very high	98.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-89.1	-5.5	175.1	57.9	0	0	0	0	114.6	F142 I180 S182 S186 H188 A193 C194 L195 H199 W213 I261	F142-T197 HydrophobicContact CE2-CG2 4.4Å; F142-T197 HydrophobicContact CZ-CG2 4.1Å; I180-T197 HydrophobicContact CB-CG2 4.07Å; I180-T197 HydrophobicContact CG2-CG2 3.86Å; S182-T197 VanDerWaalsContact CB-O 3.3Å; S182-T197 WeakPolarHBondContact CB-O 3.39Å; S186-T197 PolarHBondContact OG-O 3.1Å; H188-T197 PolarHBondContact CD2-O 2.98Å; H188-T197 VanDerWaalsContact CD2-O 3.31Å; A193-T197 PolarHBondContact O-N 2.9Å; A193-T197 VanDerWaalsContact O-N 3.08Å; A193-T197 PolarHBondContact O-OG1 3.18Å; C194-T197 PolarHBondContact O-N 3.49Å; C194-T197 PolarHBondContact O-OG1 3.07Å; C194-T197 VanDerWaalsContact O-OG1 3.05Å; L195-T197 VanDerWaalsContact C-N 3.28Å; L195-T197 PolarHBondContact O-N 3.38Å; T197-H199 PolarHBondContact O-CD2 3.32Å; T197-W213 HydrophobicContact CG2-CE3 3.66Å; T197-W213 HydrophobicContact CG2-CZ3 3.74Å; T197-I261 HydrophobicContact CG2-CG2 4.2Å
198	T	98.8	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.			trans	-88.6	134.3	175.1	-70.2	0	0	0	0	110.2	F187 H188 G189 C194 L195 S200 K205	F187-T198 HydrophobicContact CB-CG2 4.41Å; F187-T198 HydrophobicContact CD2-CG2 3.81Å; F187-T198 HydrophobicContact CE2-CG2 4.49Å; F187-T198 HydrophobicContact CG-CG2 4.37Å; H188-T198 PolarHBondContact N-OG1 3.22Å; G189-T198 PolarHBondContact N-OG1 3.35Å; G189-T198 PolarHBondContact O-OG1 2.88Å; G189-T198 VanDerWaalsContact O-OG1 3.14Å; C194-T198 WeakPolarHBondContact O-CB 3.26Å; C194-T198 PolarHBondContact O-N 2.83Å; C194-T198 PolarHBondContact O-OG1 3.44Å; L195-T198 HydrophobicContact CD1-CG2 4.3Å; L195-T198 PolarHBondContact O-N 3.2Å; T198-S200 WeakPolarHBondContact CG2-OG 3.47Å; T198-K205 WeakPolarHBondContact O-CD 3.36Å; T198-K205 VanDerWaalsContact O-CE 3.28Å; T198-K205 WeakPolarHBondContact O-CE 3.49Å; T198-K205 PolarHBondContact O-NZ 2.9Å
199	H	98.2	Very high	97.9	Very high	40 Å²	40	56.9 Å²	56.9	19%	0.185	30%	0.297	C	S	.	.			trans	-137.9	38.3	178.7	-54.4	-77.8	0	0	0	112	S182 F183 G185 S186 S196 T197	S182-H199 PolarHBondContact OG-NE2 3.4Å; F183-H199 PolarHBondContact O-CD2 2.99Å; F183-H199 VanDerWaalsContact O-CD2 3.3Å; G185-H199 VanDerWaalsContact CA-O 3.25Å; G185-H199 WeakPolarHBondContact CA-O 3.47Å; G185-H199 PolarHBondContact N-O 3.41Å; G185-H199 VanDerWaalsContact N-O 3.09Å; S186-H199 CarbonylContact O-C 3.6Å; S186-H199 PolarHBondContact O-N 3.16Å; S186-H199 PolarHBondContact OG-CD2 3.31Å; S186-H199 PolarHBondContact OG-N 3.45Å; S196-H199 PolarHBondContact O-CE1 2.96Å; T197-H199 PolarHBondContact O-CD2 3.32Å
200	S	97.3	Very high	97.8	Very high	21 Å²	21	59.5 Å²	59.5	15%	0.147	32%	0.319	C	S	.	.	S	Bend	trans	-82.2	-55.3	-172.5	49.3	0	0	0	0	114.4	S186 T198 H204	S186-S200 WeakPolarHBondContact O-CB 3.37Å; S186-S200 PolarHBondContact O-N 3.4Å; S186-S200 VanDerWaalsContact O-N 3.09Å; T198-S200 WeakPolarHBondContact CG2-OG 3.47Å; S200-H204 PolarHBondContact OG-ND1 3.47Å
201	K	96.7	Very high	97.7	Very high	73 Å²	73	55.3 Å²	55.3	32%	0.317	31%	0.307	S	S	.	.			trans	-144.4	144.5	-177	-59.2	-176.7	179.9	179.7	0	110.5	I203 H204	K201-I203 VanDerWaalsContact C-N 3.32Å; K201-I203 HydrophobicContact CB-CG2 4.22Å; K201-I203 PolarHBondContact O-N 2.98Å; K201-H204 WeakPolarHBondContact O-CB 3.34Å; K201-H204 PolarHBondContact O-N 2.98Å; K201-H204 VanDerWaalsContact O-N 3.07Å
202	A	97.2	Very high	97.6	Very high	84 Å²	84	58.9 Å²	58.9	69%	0.694	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-57.7	-42.9	-179.7	0	0	0	0	0	112.6	H204 K205 V206	A202-H204 PolarHBondContact O-N 2.86Å; A202-H204 VanDerWaalsContact O-N 3.07Å; A202-K205 PolarHBondContact O-N 3.21Å; A202-V206 PolarHBondContact O-N 3.4Å
203	I	96.8	Very high	97.7	Very high	133 Å²	133	55.2 Å²	55.2	68%	0.682	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-61.5	-19	179.1	-164.7	57.5	0	0	0	113.7	K201 K205 V206	K201-I203 VanDerWaalsContact C-N 3.32Å; K201-I203 HydrophobicContact CB-CG2 4.22Å; K201-I203 PolarHBondContact O-N 2.98Å; I203-K205 VanDerWaalsContact C-N 3.34Å; I203-V206 HydrophobicContact CD1-CG1 4.32Å
204	H	97.6	Very high	97.7	Very high	30 Å²	30	54.9 Å²	54.9	14%	0.139	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-77.9	-21.6	174	-60	160.9	0	0	0	112.4	R190 L195 S200 K201 A202	R190-H204 PolarHBondContact NH2-CD2 3.31Å; R190-H204 PolarHBondContact NH2-NE2 2.6Å; L195-H204 HydrophobicContact CD1-CB 4.39Å; L195-H204 VanDerWaalsContact CD1-O 3.27Å; L195-H204 WeakPolarHBondContact CD1-O 3.45Å; L195-H204 WeakPolarHBondContact CD2-O 3.39Å; S200-H204 PolarHBondContact OG-ND1 3.47Å; K201-H204 WeakPolarHBondContact O-CB 3.34Å; K201-H204 PolarHBondContact O-N 2.98Å; K201-H204 VanDerWaalsContact O-N 3.07Å; A202-H204 PolarHBondContact O-N 2.86Å; A202-H204 VanDerWaalsContact O-N 3.07Å
205	K	97.7	Very high	97.7	Very high	54 Å²	54	59.8 Å²	59.8	24%	0.235	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-23.9	-168.4	-56.7	-160.1	77.4	158.4	0	115.5	L195 S196 T198 A202 I203 F208	L195-K205 HydrophobicContact CD1-CG 4.37Å; L195-K205 HydrophobicContact CG-CG 4.49Å; L195-K205 WeakPolarHBondContact O-CE 3.49Å; L195-K205 PolarHBondContact O-NZ 3.2Å; S196-K205 PolarHBondContact O-NZ 2.75Å; T198-K205 WeakPolarHBondContact O-CD 3.36Å; T198-K205 VanDerWaalsContact O-CE 3.28Å; T198-K205 WeakPolarHBondContact O-CE 3.49Å; T198-K205 PolarHBondContact O-NZ 2.9Å; A202-K205 PolarHBondContact O-N 3.21Å; I203-K205 VanDerWaalsContact C-N 3.34Å; K205-F208 PolarHBondContact O-N 3.16Å
206	V	97.9	Very high	97.7	Very high	80 Å²	80	59.4 Å²	59.4	49%	0.485	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	144.6	-177.7	69.5	0	0	0	0	110.5	A202 I203 F208	A202-V206 PolarHBondContact O-N 3.4Å; I203-V206 HydrophobicContact CD1-CG1 4.32Å; V206-F208 PolarHBondContact O-N 3.36Å; V206-F208 VanDerWaalsContact O-N 3.08Å
207	D	98	Very high	97.7	Very high	163 Å²	163	60.3 Å²	60.3	87%	0.872	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	11.9	178.9	-50.1	-39	0	0	0	116.5
208	F	95.6	Very high	97.7	Very high	87 Å²	87	60.5 Å²	60.5	38%	0.382	33%	0.332	S	S	.	.	S	Bend	trans	-111.9	131.5	176.9	-169.7	-102.5	0	0	0	110.9	Y192 L195 K205 V206	Y192-F208 HydrophobicContact CD2-CD1 4.43Å; Y192-F208 AromaticContact CD2-CE1 3.5Å; Y192-F208 HydrophobicContact CD2-CE1 3.5Å; Y192-F208 VanDerWaalsContact CD2-CE1 3.5Å; Y192-F208 AromaticContact CD2-CZ 3.83Å; Y192-F208 HydrophobicContact CD2-CZ 3.83Å; Y192-F208 HydrophobicContact CE2-CE1 4.27Å; Y192-F208 HydrophobicContact CG-CE1 4.32Å; Y192-F208 HydrophobicContact CG-CZ 4.28Å; L195-F208 HydrophobicContact CB-CD1 4.42Å; L195-F208 HydrophobicContact CB-CE1 4.12Å; L195-F208 HydrophobicContact CD2-CB 4.12Å; L195-F208 HydrophobicContact CD2-CD1 3.24Å; L195-F208 HydrophobicContact CD2-CD2 4.45Å; L195-F208 HydrophobicContact CD2-CE1 3.58Å; L195-F208 HydrophobicContact CD2-CG 3.71Å; L195-F208 HydrophobicContact CD2-CZ 4.37Å; L195-F208 HydrophobicContact CG-CD1 4.24Å; L195-F208 HydrophobicContact CG-CE1 4.4Å; K205-F208 PolarHBondContact O-N 3.16Å; V206-F208 PolarHBondContact O-N 3.36Å; V206-F208 VanDerWaalsContact O-N 3.08Å
209	P	97.5	Very high	97.7	Very high	84 Å²	84	60.5 Å²	60.5	55%	0.545	33%	0.332	S	S	.	.			trans	-54.7	148.7	172	-24.5	34.3	0	0	0	110.8	Y192	Y192-P209 HydrophobicContact CE2-CB 3.94Å; Y192-P209 WeakPolarHBondContact CE2-O 3.4Å
210	A	96.4	Very high	97.7	Very high	60 Å²	60	62.5 Å²	62.5	50%	0.496	34%	0.338	S	S	.	.			trans	-134.3	149.5	178.2	0	0	0	0	0	111.3
211	L	97.6	Very high	97.7	Very high	56 Å²	56	63.1 Å²	63.1	29%	0.293	34%	0.338	S	S	.	.			trans	-75.3	128.5	167.9	-58.8	168.9	0	0	0	108.2	Y192 A193 S196 W213	Y192-L211 HydrophobicContact CE1-CD2 4.45Å; A193-L211 HydrophobicContact CB-CD1 3.96Å; S196-L211 PolarHBondContact OG-N 3.11Å; L211-W213 VanDerWaalsContact C-N 3.31Å; L211-W213 HydrophobicContact CB-CD2 3.86Å; L211-W213 HydrophobicContact CB-CE3 4.45Å; L211-W213 HydrophobicContact CB-CG 4.07Å; L211-W213 HydrophobicContact CB-CZ2 4.28Å; L211-W213 HydrophobicContact CD1-CD2 4.28Å; L211-W213 HydrophobicContact CD1-CE3 4.41Å; L211-W213 HydrophobicContact CD1-CH2 3.5Å; L211-W213 HydrophobicContact CD1-CZ2 3.33Å; L211-W213 HydrophobicContact CD1-CZ3 4.05Å; L211-W213 HydrophobicContact CG-CZ2 4.35Å; L211-W213 PolarHBondContact O-N 3.17Å
212	N	96.8	Very high	97.8	Very high	136 Å²	136	64.6 Å²	64.6	73%	0.727	34%	0.344	S	S	*	.			trans	-75.1	87.7	175.8	-174.7	21.4	0	0	0	109	W250	N212-W250 WeakPolarHBondContact O-CH2 3.44Å; N212-W250 VanDerWaalsContact O-CZ3 3.29Å; N212-W250 WeakPolarHBondContact O-CZ3 3.27Å
213	W	98.6	Very high	97.7	Very high	36 Å²	36	62.3 Å²	62.3	14%	0.136	32%	0.318	C	S	.	.			trans	-119.9	153.3	-178.6	-72.5	-8.6	0	0	0	111	F146 L178 T179 I180 A193 T197 L211	F146-W213 HydrophobicContact CE2-CH2 4.13Å; F146-W213 HydrophobicContact CE2-CZ2 4.22Å; F146-W213 AromaticContact CZ-CH2 3.73Å; F146-W213 HydrophobicContact CZ-CH2 3.73Å; F146-W213 AromaticContact CZ-CZ2 3.65Å; F146-W213 HydrophobicContact CZ-CZ2 3.65Å; L178-W213 PolarHBondContact O-NE1 2.89Å; T179-W213 VanDerWaalsContact CG2-CD1 3.42Å; T179-W213 HydrophobicContact CG2-CG 4.24Å; I180-W213 HydrophobicContact CB-CD2 4.46Å; I180-W213 HydrophobicContact CB-CE3 3.76Å; I180-W213 HydrophobicContact CB-CH2 4.4Å; I180-W213 HydrophobicContact CB-CZ3 3.74Å; I180-W213 HydrophobicContact CG1-CE3 4.29Å; I180-W213 HydrophobicContact CG1-CH2 4.02Å; I180-W213 HydrophobicContact CG1-CZ3 3.81Å; I180-W213 WeakPolarHBondContact O-CB 3.45Å; A193-W213 HydrophobicContact CB-CH2 3.9Å; A193-W213 HydrophobicContact CB-CZ3 4.1Å; T197-W213 HydrophobicContact CG2-CE3 3.66Å; T197-W213 HydrophobicContact CG2-CZ3 3.74Å; L211-W213 VanDerWaalsContact C-N 3.31Å; L211-W213 HydrophobicContact CB-CD2 3.86Å; L211-W213 HydrophobicContact CB-CE3 4.45Å; L211-W213 HydrophobicContact CB-CG 4.07Å; L211-W213 HydrophobicContact CB-CZ2 4.28Å; L211-W213 HydrophobicContact CD1-CD2 4.28Å; L211-W213 HydrophobicContact CD1-CE3 4.41Å; L211-W213 HydrophobicContact CD1-CH2 3.5Å; L211-W213 HydrophobicContact CD1-CZ2 3.33Å; L211-W213 HydrophobicContact CD1-CZ3 4.05Å; L211-W213 HydrophobicContact CG-CZ2 4.35Å; L211-W213 PolarHBondContact O-N 3.17Å
214	P	98.7	Very high	97.7	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.013	30%	0.3	C	S	.	.			trans	-61.5	146.6	-179.9	12.4	-17	0	0	0	112.5	L181 S182 E246 W250 V257	L181-P214 WeakPolarHBondContact CA-O 3.47Å; L181-P214 HydrophobicContact CB-CB 4.24Å; L181-P214 HydrophobicContact CB-CG 3.93Å; L181-P214 HydrophobicContact CD1-CB 4.11Å; L181-P214 HydrophobicContact CD1-CG 4.44Å; L181-P214 HydrophobicContact CG-CB 4.07Å; L181-P214 HydrophobicContact CG-CG 4.32Å; S182-P214 PolarHBondContact N-O 3.35Å; S182-P214 VanDerWaalsContact N-O 3.13Å; P214-E246 HydrophobicContact CB-CB 4.26Å; P214-W250 HydrophobicContact CB-CD2 4.26Å; P214-W250 HydrophobicContact CB-CG 4.18Å; P214-W250 HydrophobicContact CB-CZ2 4.44Å; P214-W250 HydrophobicContact CG-CD2 3.89Å; P214-W250 HydrophobicContact CG-CG 3.88Å; P214-V257 HydrophobicContact CG-CG2 3.87Å
215	K	98.2	Very high	97.6	Very high	104 Å²	104	60 Å²	60	45%	0.452	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.6	167.2	70.8	-174.7	-179.4	-174.9	0	109.6	S182	S182-K215 CarbonylContact O-C 3.37Å; S182-K215 VanDerWaalsContact O-CA 3.24Å; S182-K215 WeakPolarHBondContact O-CA 3.48Å
216	A	98.8	Very high	97.5	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	165.2	173.8	0	0	0	0	0	111.1	L181 S182 F183 K184 E242 V243	L181-A216 HydrophobicContact CD2-CB 4.21Å; S182-A216 PolarHBondContact O-N 3.31Å; F183-A216 CarbonylContact C-O 3.54Å; F183-A216 WeakPolarHBondContact CA-O 3.41Å; F183-A216 HydrophobicContact CD1-CB 4.37Å; F183-A216 HydrophobicContact CE1-CB 4.37Å; K184-A216 PolarHBondContact N-O 2.86Å; A216-E242 HydrophobicContact CB-CG 4.21Å; A216-V243 HydrophobicContact CB-CB 4.45Å; A216-V243 HydrophobicContact CB-CG2 3.56Å
217	S	98.8	Very high	97.4	Very high	24 Å²	24	66.8 Å²	66.8	17%	0.168	34%	0.337	C	S	.	.			trans	-69.6	146.8	169.1	-54.1	0	0	0	0	111.4	F183 K184 E242	F183-S217 WeakPolarHBondContact CD1-O 3.41Å; K184-S217 PolarHBondContact NZ-OG 3.22Å; S217-E242 WeakPolarHBondContact CB-OE2 3.38Å; S217-E242 VanDerWaalsContact N-CD 3.29Å; S217-E242 PolarHBondContact N-OE1 3.24Å; S217-E242 VanDerWaalsContact N-OE1 3.14Å; S217-E242 PolarHBondContact N-OE2 3.2Å; S217-E242 PolarHBondContact OG-OE1 3.41Å; S217-E242 PolarHBondContact OG-OE2 2.9Å
218	Y	98.8	Very high	97.4	Very high	3 Å²	3	62 Å²	62	1%	0.012	31%	0.31	C	S	.	.			trans	-108.2	141.4	169.4	-169.2	-86.5	0	0	0	108.1	F183 R220 V262 Q266 H272 A274 F278 F279	F183-Y218 HydrophobicContact CB-CD2 4.13Å; F183-Y218 AromaticContact CD1-CD2 3.97Å; F183-Y218 HydrophobicContact CD1-CD2 3.97Å; F183-Y218 HydrophobicContact CG-CD2 4.03Å; Y218-R220 PolarHBondContact O-N 2.85Å; Y218-R220 PolarHBondContact O-NH1 3.05Å; Y218-R220 VanDerWaalsContact O-NH1 3.17Å; Y218-V262 HydrophobicContact CD2-CG2 4.4Å; Y218-V262 HydrophobicContact CE2-CG2 3.87Å; Y218-Q266 HydrophobicContact CD1-CG 4.13Å; Y218-Q266 HydrophobicContact CD2-CG 4.11Å; Y218-Q266 HydrophobicContact CE1-CG 4.05Å; Y218-Q266 HydrophobicContact CE2-CG 4.02Å; Y218-Q266 VanDerWaalsContact CG-CD 3.49Å; Y218-Q266 HydrophobicContact CG-CG 4.15Å; Y218-H272 HydrophobicContact CD1-CB 4.07Å; Y218-H272 HydrophobicContact CE1-CB 3.96Å; Y218-H272 WeakPolarHBondContact CE1-O 3.44Å; Y218-A274 HydrophobicContact CE1-CB 4Å; Y218-F278 HydrophobicContact CE2-CE1 4.36Å; Y218-F279 WeakPolarHBondContact OH-CZ 3.33Å
219	P	98.5	Very high	97.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.314	C	S	.	.			trans	-50.8	137.4	-175.6	-29.4	35.2	0	0	0	113.6	Y221 E235 D236 C239 A274 F278	P219-Y221 HydrophobicContact CB-CD1 4.06Å; P219-Y221 HydrophobicContact CB-CE1 3.6Å; P219-E235 HydrophobicContact CB-CG 4.03Å; P219-D236 WeakPolarHBondContact CG-OD1 3.48Å; P219-C239 HydrophobicContact CG-CB 4.21Å; P219-A274 HydrophobicContact CB-CB 4.43Å; P219-A274 HydrophobicContact CG-CB 4.05Å; P219-F278 HydrophobicContact CG-CD2 3.66Å; P219-F278 HydrophobicContact CG-CE1 4.43Å; P219-F278 HydrophobicContact CG-CE2 3.58Å; P219-F278 HydrophobicContact CG-CG 4.14Å; P219-F278 HydrophobicContact CG-CZ 3.99Å
220	R	97.8	Very high	97.4	Very high	83 Å²	83	63.4 Å²	63.4	31%	0.313	32%	0.322	S	S	.	.			trans	-116.7	89.3	171.9	-64.9	-64.2	-179.5	-100.8	6	109.8	K184 Y218 E235 Q266 H272	K184-R220 PolarHBondContact O-NH2 3.41Å; Y218-R220 PolarHBondContact O-N 2.85Å; Y218-R220 PolarHBondContact O-NH1 3.05Å; Y218-R220 VanDerWaalsContact O-NH1 3.17Å; R220-E235 PolarHBondContact N-OE1 3.39Å; R220-Q266 VanDerWaalsContact NH1-OE1 3.15Å; R220-H272 PolarHBondContact NH1-CD2 3.47Å; R220-H272 PolarHBondContact NH2-CD2 2.94Å; R220-H272 VanDerWaalsContact NH2-CD2 3.32Å; R220-H272 PolarHBondContact NH2-NE2 3.37Å
221	Y	98.2	Very high	97.5	Very high	34 Å²	34	64.3 Å²	64.3	13%	0.133	32%	0.315	C	S	.	.			trans	-69	147.8	-177.2	-68	-13.3	0	0	0	114	P219 L225 N232 D236 S275	P219-Y221 HydrophobicContact CB-CD1 4.06Å; P219-Y221 HydrophobicContact CB-CE1 3.6Å; Y221-L225 HydrophobicContact CD2-CD2 3.8Å; Y221-L225 HydrophobicContact CG-CD2 4.25Å; Y221-N232 WeakPolarHBondContact CA-OD1 3.35Å; Y221-N232 WeakPolarHBondContact CB-OD1 3.49Å; Y221-N232 HydrophobicContact CD1-CB 3.75Å; Y221-N232 WeakPolarHBondContact CD1-OD1 3.37Å; Y221-N232 HydrophobicContact CE1-CB 3.93Å; Y221-N232 HydrophobicContact CG-CB 4.2Å; Y221-D236 VanDerWaalsContact CE1-OD1 3.23Å; Y221-D236 WeakPolarHBondContact CE1-OD1 3.39Å; Y221-D236 PolarHBondContact OH-OD1 2.96Å; Y221-D236 PolarHBondContact OH-OD2 2.95Å; Y221-S275 VanDerWaalsContact OH-CB 3.28Å; Y221-S275 WeakPolarHBondContact OH-CB 3.31Å; Y221-S275 PolarHBondContact OH-N 3.16Å
222	K	97.7	Very high	97.6	Very high	103 Å²	103	62.1 Å²	62.1	45%	0.448	30%	0.303	S	S	.	.			trans	-91.2	144.1	164.3	-68.8	179.6	-178.4	179.6	0	109.9	H228 F231 N232	K222-H228 HydrophobicContact CB-CB 3.75Å; K222-H228 VanDerWaalsContact CB-CD2 3.47Å; K222-H228 WeakPolarHBondContact CB-CD2 3.15Å; K222-F231 HydrophobicContact CB-CD1 4.1Å; K222-F231 HydrophobicContact CB-CE1 4.39Å; K222-F231 HydrophobicContact CD-CD1 3.68Å; K222-F231 HydrophobicContact CD-CD2 4.25Å; K222-F231 HydrophobicContact CD-CE1 3.82Å; K222-F231 HydrophobicContact CD-CE2 4.36Å; K222-F231 HydrophobicContact CD-CG 3.93Å; K222-F231 HydrophobicContact CD-CZ 4.16Å; K222-F231 HydrophobicContact CG-CD1 3.72Å; K222-F231 HydrophobicContact CG-CE1 3.63Å; K222-F231 HydrophobicContact CG-CG 4.47Å; K222-F231 HydrophobicContact CG-CZ 4.3Å; K222-N232 PolarHBondContact N-OD1 2.6Å; K222-N232 PolarHBondContact O-ND2 2.9Å; K222-N232 VanDerWaalsContact O-ND2 3.12Å
223	Y	96.6	Very high	97.7	Very high	37 Å²	37	57.6 Å²	57.6	15%	0.145	29%	0.285	C	S	.	.	S	Bend	trans	-120.9	145.9	-178.7	-68	-94.4	0	0	0	110	L225 R404	Y223-L225 HydrophobicContact CD1-CD2 3.84Å; Y223-L225 HydrophobicContact CD1-CG 3.79Å; Y223-L225 HydrophobicContact CE1-CD1 4.08Å; Y223-L225 HydrophobicContact CE1-CD2 3.54Å; Y223-L225 HydrophobicContact CE1-CG 3.64Å; Y223-L225 HydrophobicContact CG-CD2 4.45Å; Y223-R404 HydrophobicContact CD1-CB 4.49Å; Y223-R404 HydrophobicContact CE1-CB 3.63Å; Y223-R404 VanDerWaalsContact OH-CD 3.31Å; Y223-R404 WeakPolarHBondContact OH-CD 3.33Å
224	P	95.7	Very high	97.7	Very high	46 Å²	46	57.8 Å²	57.8	30%	0.299	29%	0.292	S	S	.	.	S	Bend	cis	-64.8	143	-0.1	-20.7	34.5	0	0	0	113.2	E226 E227 H228	P224-E226 WeakPolarHBondContact CB-OE2 3.35Å; P224-E226 PolarHBondContact O-N 2.91Å; P224-E227 HydrophobicContact CB-CG 4.33Å; P224-E227 PolarHBondContact O-N 2.99Å; P224-H228 PolarHBondContact O-CD2 2.84Å; P224-H228 VanDerWaalsContact O-CD2 3.26Å; P224-H228 PolarHBondContact O-N 2.82Å
225	L	96.1	Very high	97.6	Very high	69 Å²	69	59.5 Å²	59.5	36%	0.361	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-61.9	-33.2	-172.6	-68	178.1	0	0	0	111.9	Y221 Y223 E227 H228 S229	Y221-L225 HydrophobicContact CD2-CD2 3.8Å; Y221-L225 HydrophobicContact CG-CD2 4.25Å; Y223-L225 HydrophobicContact CD1-CD2 3.84Å; Y223-L225 HydrophobicContact CD1-CG 3.79Å; Y223-L225 HydrophobicContact CE1-CD1 4.08Å; Y223-L225 HydrophobicContact CE1-CD2 3.54Å; Y223-L225 HydrophobicContact CE1-CG 3.64Å; Y223-L225 HydrophobicContact CG-CD2 4.45Å; L225-E227 VanDerWaalsContact C-N 3.3Å; L225-H228 PolarHBondContact O-N 3.42Å; L225-S229 PolarHBondContact O-N 3.22Å
226	E	94.6	Very high	97.7	Very high	130 Å²	130	55.1 Å²	55.1	61%	0.607	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-69.1	-30.3	-176.7	-49.7	79.9	-176.8	0	0	111.5	P224 K390	P224-E226 WeakPolarHBondContact CB-OE2 3.35Å; P224-E226 PolarHBondContact O-N 2.91Å; E226-K390 IonicContact OE1-NZ 2.96Å
227	E	96.5	Very high	97.7	Very high	146 Å²	146	62.2 Å²	62.2	68%	0.682	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-88.7	-9.9	179.7	-63.9	177.6	-152.3	0	0	112.8	P224 L225	P224-E227 HydrophobicContact CB-CG 4.33Å; P224-E227 PolarHBondContact O-N 2.99Å; L225-E227 VanDerWaalsContact C-N 3.3Å
228	H	97.6	Very high	97.7	Very high	62 Å²	62	66.1 Å²	66.1	29%	0.287	33%	0.327	S	S	.	.			trans	-129.5	25.4	-173.7	-62	-51.9	0	0	0	113.6	K222 P224 L225 D230 F231 N232	K222-H228 HydrophobicContact CB-CB 3.75Å; K222-H228 VanDerWaalsContact CB-CD2 3.47Å; K222-H228 WeakPolarHBondContact CB-CD2 3.15Å; P224-H228 PolarHBondContact O-CD2 2.84Å; P224-H228 VanDerWaalsContact O-CD2 3.26Å; P224-H228 PolarHBondContact O-N 2.82Å; L225-H228 PolarHBondContact O-N 3.42Å; H228-D230 PolarHBondContact O-N 3.08Å; H228-F231 PolarHBondContact O-N 3.49Å; H228-N232 WeakPolarHBondContact O-CB 3.45Å; H228-N232 PolarHBondContact O-N 3.36Å; H228-N232 PolarHBondContact O-ND2 2.8Å
229	S	96.9	Very high	97.7	Very high	68 Å²	68	66.1 Å²	66.1	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-53.9	-45.8	-178	55	0	0	0	0	113.3	L225 N232 A233	L225-S229 PolarHBondContact O-N 3.22Å; S229-N232 PolarHBondContact O-N 2.85Å; S229-A233 VanDerWaalsContact O-CB 3.32Å; S229-A233 WeakPolarHBondContact O-CB 3.24Å; S229-A233 PolarHBondContact O-N 3.36Å
230	D	97.7	Very high	97.7	Very high	133 Å²	133	66.9 Å²	66.9	71%	0.711	33%	0.331	S	S	*	.	H	α-helix	trans	-67.5	-41	-178.6	-70.9	-20.8	0	0	0	113	H228 S234	H228-D230 PolarHBondContact O-N 3.08Å; D230-S234 WeakPolarHBondContact O-CB 3.35Å; D230-S234 PolarHBondContact O-N 3.04Å; D230-S234 PolarHBondContact O-OG 3.34Å
231	F	98.5	Very high	97.7	Very high	78 Å²	78	65.6 Å²	65.6	34%	0.342	34%	0.339	S	S	.	.	H	α-helix	trans	-62.9	-50.1	174.4	174.8	-90.2	0	0	0	110	K222 H228 A233 S234 E235	K222-F231 HydrophobicContact CB-CD1 4.1Å; K222-F231 HydrophobicContact CB-CE1 4.39Å; K222-F231 HydrophobicContact CD-CD1 3.68Å; K222-F231 HydrophobicContact CD-CD2 4.25Å; K222-F231 HydrophobicContact CD-CE1 3.82Å; K222-F231 HydrophobicContact CD-CE2 4.36Å; K222-F231 HydrophobicContact CD-CG 3.93Å; K222-F231 HydrophobicContact CD-CZ 4.16Å; K222-F231 HydrophobicContact CG-CD1 3.72Å; K222-F231 HydrophobicContact CG-CE1 3.63Å; K222-F231 HydrophobicContact CG-CG 4.47Å; K222-F231 HydrophobicContact CG-CZ 4.3Å; H228-F231 PolarHBondContact O-N 3.49Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 2.96Å; F231-S234 WeakPolarHBondContact O-CB 3.35Å; F231-S234 PolarHBondContact O-N 3.45Å; F231-S234 VanDerWaalsContact O-N 3.09Å; F231-E235 HydrophobicContact CE1-CB 4.44Å; F231-E235 WeakPolarHBondContact O-CB 3.41Å; F231-E235 PolarHBondContact O-N 3.12Å
232	N	98.5	Very high	97.8	Very high	10 Å²	10	66.5 Å²	66.5	5%	0.053	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-37.6	-177.7	-67.9	-23.3	0	0	0	111.8	Y221 K222 H228 S229 S234 E235 D236	Y221-N232 WeakPolarHBondContact CA-OD1 3.35Å; Y221-N232 WeakPolarHBondContact CB-OD1 3.49Å; Y221-N232 HydrophobicContact CD1-CB 3.75Å; Y221-N232 WeakPolarHBondContact CD1-OD1 3.37Å; Y221-N232 HydrophobicContact CE1-CB 3.93Å; Y221-N232 HydrophobicContact CG-CB 4.2Å; K222-N232 PolarHBondContact N-OD1 2.6Å; K222-N232 PolarHBondContact O-ND2 2.9Å; K222-N232 VanDerWaalsContact O-ND2 3.12Å; H228-N232 WeakPolarHBondContact O-CB 3.45Å; H228-N232 PolarHBondContact O-N 3.36Å; H228-N232 PolarHBondContact O-ND2 2.8Å; S229-N232 PolarHBondContact O-N 2.85Å; N232-S234 VanDerWaalsContact C-N 3.34Å; N232-E235 PolarHBondContact O-N 2.6Å; N232-D236 PolarHBondContact O-N 3.13Å
233	A	98.2	Very high	97.8	Very high	41 Å²	41	61.6 Å²	61.6	34%	0.339	32%	0.323	S	S	.	.	H	α-helix	trans	-67	-34.5	174.2	0	0	0	0	0	112.6	S229 F231 R237	S229-A233 VanDerWaalsContact O-CB 3.32Å; S229-A233 WeakPolarHBondContact O-CB 3.24Å; S229-A233 PolarHBondContact O-N 3.36Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 2.96Å; A233-R237 WeakPolarHBondContact O-CG 3.48Å; A233-R237 PolarHBondContact O-N 3.38Å; A233-R237 PolarHBondContact O-NH1 3.46Å
234	S	98.4	Very high	97.9	Very high	41 Å²	41	62.4 Å²	62.4	29%	0.287	33%	0.328	S	S	.	.	H	α-helix	trans	-72.4	-40.4	175.6	-56.5	0	0	0	0	111.7	D230 F231 N232 D236 R237 N238	D230-S234 WeakPolarHBondContact O-CB 3.35Å; D230-S234 PolarHBondContact O-N 3.04Å; D230-S234 PolarHBondContact O-OG 3.34Å; F231-S234 WeakPolarHBondContact O-CB 3.35Å; F231-S234 PolarHBondContact O-N 3.45Å; F231-S234 VanDerWaalsContact O-N 3.09Å; N232-S234 VanDerWaalsContact C-N 3.34Å; S234-D236 PolarHBondContact O-N 2.9Å; S234-R237 PolarHBondContact O-N 3.41Å; S234-R237 PolarHBondContact OG-NH2 3.44Å; S234-N238 PolarHBondContact O-N 3.36Å; S234-N238 PolarHBondContact O-ND2 2.88Å
235	E	98.5	Very high	98.1	Very high	37 Å²	37	64.4 Å²	64.4	17%	0.173	34%	0.336	C	S	.	.	H	α-helix	trans	-58.3	-45.3	173.5	-179.7	68.2	177.5	0	0	111.7	P219 R220 F231 N232 R237 N238 C239	P219-E235 HydrophobicContact CB-CG 4.03Å; R220-E235 PolarHBondContact N-OE1 3.39Å; F231-E235 HydrophobicContact CE1-CB 4.44Å; F231-E235 WeakPolarHBondContact O-CB 3.41Å; F231-E235 PolarHBondContact O-N 3.12Å; N232-E235 PolarHBondContact O-N 2.6Å; E235-R237 PolarHBondContact O-N 2.93Å; E235-N238 PolarHBondContact O-N 2.97Å; E235-C239 PolarHBondContact O-N 3.33Å; E235-C239 PolarHBondContact O-SG 3.26Å; E235-C239 VanDerWaalsContact O-SG 3.36Å
236	D	98.6	Very high	98.2	Very high	13 Å²	13	63.2 Å²	63.2	7%	0.07	33%	0.328	C	S	.	.	H	α-helix	trans	-56.2	-49.1	174	-83.1	-1.3	0	0	0	111.5	P219 Y221 N232 S234 N238 C239 L240 S275 F278	P219-D236 WeakPolarHBondContact CG-OD1 3.48Å; Y221-D236 VanDerWaalsContact CE1-OD1 3.23Å; Y221-D236 WeakPolarHBondContact CE1-OD1 3.39Å; Y221-D236 PolarHBondContact OH-OD1 2.96Å; Y221-D236 PolarHBondContact OH-OD2 2.95Å; N232-D236 PolarHBondContact O-N 3.13Å; S234-D236 PolarHBondContact O-N 2.9Å; D236-N238 PolarHBondContact O-N 3.16Å; D236-C239 PolarHBondContact O-N 2.99Å; D236-L240 WeakPolarHBondContact O-CB 3.32Å; D236-L240 WeakPolarHBondContact O-CD1 3.49Å; D236-L240 VanDerWaalsContact O-CG 3.23Å; D236-L240 WeakPolarHBondContact O-CG 3.25Å; D236-L240 PolarHBondContact O-N 3.23Å; D236-S275 PolarHBondContact OD2-OG 2.73Å; D236-F278 HydrophobicContact CB-CD2 4.3Å
237	R	98.7	Very high	98.4	Very high	149 Å²	149	57 Å²	57	56%	0.562	30%	0.3	S	S	*	.	H	α-helix	trans	-61.8	-42.7	179.7	-70.7	-170.8	-57.3	-87.5	4.1	112	A233 S234 E235 L240 A241	A233-R237 WeakPolarHBondContact O-CG 3.48Å; A233-R237 PolarHBondContact O-N 3.38Å; A233-R237 PolarHBondContact O-NH1 3.46Å; S234-R237 PolarHBondContact O-N 3.41Å; S234-R237 PolarHBondContact OG-NH2 3.44Å; E235-R237 PolarHBondContact O-N 2.93Å; R237-L240 PolarHBondContact O-N 3.22Å; R237-A241 WeakPolarHBondContact O-CB 2.98Å; R237-A241 PolarHBondContact O-N 3.4Å
238	N	98.7	Very high	98.5	Very high	105 Å²	105	55.8 Å²	55.8	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-64	-46.8	179.9	-68.1	-17.8	0	0	0	111.5	S234 E235 D236 L240 A241 E242	S234-N238 PolarHBondContact O-N 3.36Å; S234-N238 PolarHBondContact O-ND2 2.88Å; E235-N238 PolarHBondContact O-N 2.97Å; D236-N238 PolarHBondContact O-N 3.16Å; N238-L240 PolarHBondContact O-N 3.46Å; N238-A241 PolarHBondContact O-N 2.95Å; N238-E242 PolarHBondContact O-N 3.49Å
239	C	98.9	Very high	98.5	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-41.7	177.7	-68.4	0	0	0	0	111.7	P219 E235 D236 E242 V243 F278	P219-C239 HydrophobicContact CG-CB 4.21Å; E235-C239 PolarHBondContact O-N 3.33Å; E235-C239 PolarHBondContact O-SG 3.26Å; E235-C239 VanDerWaalsContact O-SG 3.36Å; D236-C239 PolarHBondContact O-N 2.99Å; C239-E242 PolarHBondContact O-N 3.28Å; C239-V243 WeakPolarHBondContact O-CG2 3.44Å; C239-V243 PolarHBondContact O-N 2.97Å; C239-F278 HydrophobicContact CB-CE2 3.93Å
240	L	98.9	Very high	98.6	Very high	16 Å²	16	53 Å²	53	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-65.4	-39.3	177.4	-72	166.4	0	0	0	112.4	D236 R237 N238 E242 V243 E244 F278 N281 L282 I285	D236-L240 WeakPolarHBondContact O-CB 3.32Å; D236-L240 WeakPolarHBondContact O-CD1 3.49Å; D236-L240 VanDerWaalsContact O-CG 3.23Å; D236-L240 WeakPolarHBondContact O-CG 3.25Å; D236-L240 PolarHBondContact O-N 3.23Å; R237-L240 PolarHBondContact O-N 3.22Å; N238-L240 PolarHBondContact O-N 3.46Å; L240-E242 VanDerWaalsContact C-N 3.33Å; L240-V243 PolarHBondContact O-N 3.36Å; L240-E244 PolarHBondContact O-N 3.16Å; L240-F278 HydrophobicContact CD1-CD2 4.04Å; L240-F278 HydrophobicContact CD2-CD2 3.9Å; L240-F278 HydrophobicContact CD2-CE2 3.77Å; L240-F278 HydrophobicContact CD2-CZ 4.38Å; L240-F278 HydrophobicContact CG-CD2 3.71Å; L240-F278 HydrophobicContact CG-CE2 3.73Å; L240-N281 HydrophobicContact CD1-CB 3.58Å; L240-N281 HydrophobicContact CD2-CB 4.27Å; L240-L282 HydrophobicContact CD2-CB 3.94Å; L240-L282 HydrophobicContact CD2-CD1 4.45Å; L240-I285 HydrophobicContact CB-CD1 3.87Å; L240-I285 HydrophobicContact CD2-CD1 3.85Å; L240-I285 HydrophobicContact CG-CD1 4.42Å; L240-I285 WeakPolarHBondContact O-CD1 3.28Å
241	A	98.8	Very high	98.6	Very high	57 Å²	57	47.9 Å²	47.9	47%	0.471	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-39.1	174.4	0	0	0	0	0	111.8	R237 N238 E244 N245	R237-A241 WeakPolarHBondContact O-CB 2.98Å; R237-A241 PolarHBondContact O-N 3.4Å; N238-A241 PolarHBondContact O-N 2.95Å; A241-E244 PolarHBondContact O-N 2.99Å; A241-N245 VanDerWaalsContact O-CB 3.29Å; A241-N245 WeakPolarHBondContact O-CB 3.47Å; A241-N245 PolarHBondContact O-N 3.29Å
242	E	98.8	Very high	98.6	Very high	52 Å²	52	51.6 Å²	51.6	24%	0.243	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-44	173.3	-171.7	179.6	164.5	0	0	111.4	K184 A216 S217 N238 C239 L240 E244 N245 E246	K184-E242 IonicContact NZ-OE1 3.39Å; A216-E242 HydrophobicContact CB-CG 4.21Å; S217-E242 WeakPolarHBondContact CB-OE2 3.38Å; S217-E242 VanDerWaalsContact N-CD 3.29Å; S217-E242 PolarHBondContact N-OE1 3.24Å; S217-E242 VanDerWaalsContact N-OE1 3.14Å; S217-E242 PolarHBondContact N-OE2 3.2Å; S217-E242 PolarHBondContact OG-OE1 3.41Å; S217-E242 PolarHBondContact OG-OE2 2.9Å; N238-E242 PolarHBondContact O-N 3.49Å; C239-E242 PolarHBondContact O-N 3.28Å; L240-E242 VanDerWaalsContact C-N 3.33Å; E242-E244 PolarHBondContact O-N 2.96Å; E242-N245 PolarHBondContact O-N 2.67Å; E242-E246 WeakPolarHBondContact O-CB 3.39Å; E242-E246 WeakPolarHBondContact O-CG 3.43Å; E242-E246 PolarHBondContact O-N 3.44Å
243	V	98.9	Very high	98.5	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-50.2	175.7	172.2	0	0	0	0	111.3	L181 F183 A216 C239 L240 N245 E246 I247 L282 I285	L181-V243 HydrophobicContact CD1-CG1 4.37Å; L181-V243 HydrophobicContact CD2-CG1 4.43Å; L181-V243 HydrophobicContact CD2-CG2 4.5Å; F183-V243 HydrophobicContact CE1-CG2 3.62Å; F183-V243 HydrophobicContact CZ-CG2 3.95Å; A216-V243 HydrophobicContact CB-CB 4.45Å; A216-V243 HydrophobicContact CB-CG2 3.56Å; C239-V243 WeakPolarHBondContact O-CG2 3.44Å; C239-V243 PolarHBondContact O-N 2.97Å; L240-V243 PolarHBondContact O-N 3.36Å; V243-N245 VanDerWaalsContact C-N 3.33Å; V243-N245 PolarHBondContact O-N 3.47Å; V243-E246 PolarHBondContact O-N 3.08Å; V243-I247 HydrophobicContact CG1-CD1 3.88Å; V243-I247 WeakPolarHBondContact O-CG1 3.17Å; V243-I247 PolarHBondContact O-N 2.76Å; V243-L282 HydrophobicContact CG1-CD1 3.8Å; V243-L282 HydrophobicContact CG2-CD1 4.34Å; V243-I285 HydrophobicContact CG1-CG2 4.29Å
244	E	98.8	Very high	98.5	Very high	55 Å²	55	57.8 Å²	57.8	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-41.7	-179.9	-177.9	161.2	-144.9	0	0	111.8	L240 A241 E242 I247 Y248 I285 K288 Y289	L240-E244 PolarHBondContact O-N 3.16Å; A241-E244 PolarHBondContact O-N 2.99Å; E242-E244 PolarHBondContact O-N 2.96Å; E244-I247 PolarHBondContact O-N 2.97Å; E244-Y248 WeakPolarHBondContact O-CB 3.48Å; E244-Y248 PolarHBondContact O-N 2.75Å; E244-I285 HydrophobicContact CB-CD1 4.36Å; E244-I285 HydrophobicContact CB-CG2 3.88Å; E244-I285 HydrophobicContact CG-CG2 4.3Å; E244-K288 WeakPolarHBondContact OE1-CE 3.42Å; E244-K288 IonicContact OE1-NZ 3.08Å; E244-K288 PolarHBondContact OE1-NZ 2.88Å; E244-Y289 HydrophobicContact CG-CE2 3.77Å; E244-Y289 WeakPolarHBondContact CG-OH 3.38Å; E244-Y289 PolarHBondContact OE1-OH 3.35Å
245	N	98.8	Very high	98.4	Very high	88 Å²	88	57.7 Å²	57.7	47%	0.471	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-42.3	177.2	-179	67.2	0	0	0	112.6	A241 E242 V243 Y248 T249	A241-N245 VanDerWaalsContact O-CB 3.29Å; A241-N245 WeakPolarHBondContact O-CB 3.47Å; A241-N245 PolarHBondContact O-N 3.29Å; E242-N245 PolarHBondContact O-N 2.67Å; V243-N245 VanDerWaalsContact C-N 3.33Å; V243-N245 PolarHBondContact O-N 3.47Å; N245-Y248 PolarHBondContact O-N 2.77Å; N245-T249 WeakPolarHBondContact O-CB 3.38Å; N245-T249 PolarHBondContact O-N 2.78Å; N245-T249 PolarHBondContact O-OG1 3.45Å
246	E	98.8	Very high	98.4	Very high	43 Å²	43	58.6 Å²	58.6	20%	0.201	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-48.1	175.3	-76	-60.9	141.1	0	0	110.8	L181 P214 E242 V243 Y248 T249 W250	L181-E246 HydrophobicContact CD1-CB 3.66Å; P214-E246 HydrophobicContact CB-CB 4.26Å; E242-E246 WeakPolarHBondContact O-CB 3.39Å; E242-E246 WeakPolarHBondContact O-CG 3.43Å; E242-E246 PolarHBondContact O-N 3.44Å; V243-E246 PolarHBondContact O-N 3.08Å; E246-Y248 PolarHBondContact O-N 3.37Å; E246-T249 PolarHBondContact O-N 3.3Å; E246-W250 WeakPolarHBondContact O-CB 3.28Å; E246-W250 PolarHBondContact O-N 3.38Å; E246-W250 VanDerWaalsContact OE2-CD1 3.23Å; E246-W250 PolarHBondContact OE2-NE1 3.13Å
247	I	98.8	Very high	98.4	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-48.5	177.7	-64.6	168	0	0	0	110.8	L181 V243 E244 T249 N251 V257 V260 I285 V286 Y289	L181-I247 HydrophobicContact CD1-CG1 3.9Å; V243-I247 HydrophobicContact CG1-CD1 3.88Å; V243-I247 WeakPolarHBondContact O-CG1 3.17Å; V243-I247 PolarHBondContact O-N 2.76Å; E244-I247 PolarHBondContact O-N 2.97Å; I247-T249 PolarHBondContact O-N 3.33Å; I247-N251 VanDerWaalsContact O-CB 3.26Å; I247-N251 WeakPolarHBondContact O-CB 3.05Å; I247-N251 PolarHBondContact O-N 2.86Å; I247-N251 PolarHBondContact O-ND2 3.42Å; I247-N251 PolarHBondContact O-OD1 3.33Å; I247-V257 HydrophobicContact CB-CG2 4.49Å; I247-V257 HydrophobicContact CG1-CB 4.36Å; I247-V257 HydrophobicContact CG1-CG1 4.31Å; I247-V257 HydrophobicContact CG1-CG2 4.31Å; I247-V257 HydrophobicContact CG2-CB 4.4Å; I247-V260 HydrophobicContact CD1-CG2 4.11Å; I247-I285 HydrophobicContact CD1-CG2 4.05Å; I247-V286 HydrophobicContact CD1-CG1 4.49Å; I247-Y289 HydrophobicContact CG2-CD1 3.68Å; I247-Y289 HydrophobicContact CG2-CD2 3.98Å; I247-Y289 HydrophobicContact CG2-CE1 4.32Å; I247-Y289 HydrophobicContact CG2-CG 3.47Å; I247-Y289 VanDerWaalsContact CG2-CG 3.47Å
248	Y	98.7	Very high	98.4	Very high	121 Å²	121	50.9 Å²	50.9	48%	0.475	26%	0.261	S	S	.	.	H	α-helix	trans	-58.6	-48.8	177.5	174.2	-98	0	0	0	111.9	E244 N245 E246 K252	E244-Y248 WeakPolarHBondContact O-CB 3.48Å; E244-Y248 PolarHBondContact O-N 2.75Å; N245-Y248 PolarHBondContact O-N 2.77Å; E246-Y248 PolarHBondContact O-N 3.37Å; Y248-K252 HydrophobicContact CE1-CD 4.18Å; Y248-K252 WeakPolarHBondContact O-CB 3.31Å; Y248-K252 PolarHBondContact O-N 3.25Å
249	T	98.7	Very high	98.4	Very high	39 Å²	39	45.9 Å²	45.9	24%	0.239	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-44	-175.5	-63.4	0	0	0	0	111.9	N245 E246 I247 K252 K253	N245-T249 WeakPolarHBondContact O-CB 3.38Å; N245-T249 PolarHBondContact O-N 2.78Å; N245-T249 PolarHBondContact O-OG1 3.45Å; E246-T249 PolarHBondContact O-N 3.3Å; I247-T249 PolarHBondContact O-N 3.33Å; T249-K252 PolarHBondContact O-N 2.86Å; T249-K253 HydrophobicContact CG2-CD 4.46Å; T249-K253 WeakPolarHBondContact O-CG 3.45Å; T249-K253 PolarHBondContact O-N 2.71Å
250	W	98.6	Very high	98.4	Very high	31 Å²	31	45.7 Å²	45.7	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-70.8	-42	179.9	-81.7	81.1	0	0	0	112.4	T179 N212 P214 E246 K252 K253 G254 C255 V257	T179-W250 HydrophobicContact CG2-CE3 3.68Å; T179-W250 HydrophobicContact CG2-CZ3 3.71Å; N212-W250 WeakPolarHBondContact O-CH2 3.44Å; N212-W250 VanDerWaalsContact O-CZ3 3.29Å; N212-W250 WeakPolarHBondContact O-CZ3 3.27Å; P214-W250 HydrophobicContact CB-CD2 4.26Å; P214-W250 HydrophobicContact CB-CG 4.18Å; P214-W250 HydrophobicContact CB-CZ2 4.44Å; P214-W250 HydrophobicContact CG-CD2 3.89Å; P214-W250 HydrophobicContact CG-CG 3.88Å; E246-W250 WeakPolarHBondContact O-CB 3.28Å; E246-W250 PolarHBondContact O-N 3.38Å; E246-W250 VanDerWaalsContact OE2-CD1 3.23Å; E246-W250 PolarHBondContact OE2-NE1 3.13Å; W250-K252 VanDerWaalsContact C-N 3.31Å; W250-K252 PolarHBondContact O-N 3.28Å; W250-K253 PolarHBondContact O-N 3.43Å; W250-K253 VanDerWaalsContact O-N 3.14Å; W250-G254 PolarHBondContact O-N 3Å; W250-C255 HydrophobicContact CE3-CB 3.56Å; W250-C255 HydrophobicContact CZ3-CB 3.95Å; W250-C255 CarbonylContact O-C 3.53Å; W250-C255 PolarHBondContact O-N 3.07Å; W250-C255 VanDerWaalsContact O-N 3.15Å; W250-V257 HydrophobicContact CB-CG2 3.85Å
251	N	98	Very high	98.4	Very high	27 Å²	27	45 Å²	45	14%	0.144	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-42	173.7	-70.4	-4.6	0	0	0	111.3	I247 K253 G254 H256 V257	I247-N251 VanDerWaalsContact O-CB 3.26Å; I247-N251 WeakPolarHBondContact O-CB 3.05Å; I247-N251 PolarHBondContact O-N 2.86Å; I247-N251 PolarHBondContact O-ND2 3.42Å; I247-N251 PolarHBondContact O-OD1 3.33Å; N251-K253 PolarHBondContact O-N 3.11Å; N251-G254 PolarHBondContact O-N 2.94Å; N251-H256 WeakPolarHBondContact OD1-CA 3.38Å; N251-V257 PolarHBondContact OD1-N 3.48Å
252	K	98	Very high	98.5	Very high	156 Å²	156	42.3 Å²	42.3	68%	0.678	21%	0.207	S	C	*	.	H	α-helix	trans	-62.5	-29.1	177.5	-173.5	176.4	-179.6	177.4	0	113.2	Y248 T249 W250 G254	Y248-K252 HydrophobicContact CE1-CD 4.18Å; Y248-K252 WeakPolarHBondContact O-CB 3.31Å; Y248-K252 PolarHBondContact O-N 3.25Å; T249-K252 PolarHBondContact O-N 2.86Å; W250-K252 VanDerWaalsContact C-N 3.31Å; W250-K252 PolarHBondContact O-N 3.28Å; K252-G254 VanDerWaalsContact C-N 3.28Å
253	K	96.9	Very high	98.5	Very high	144 Å²	144	40.2 Å²	40.2	63%	0.626	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-2	176.4	-67.6	170.6	-176.4	175.9	0	113.4	T249 W250 N251 C255	T249-K253 HydrophobicContact CG2-CD 4.46Å; T249-K253 WeakPolarHBondContact O-CG 3.45Å; T249-K253 PolarHBondContact O-N 2.71Å; W250-K253 PolarHBondContact O-N 3.43Å; W250-K253 VanDerWaalsContact O-N 3.14Å; N251-K253 PolarHBondContact O-N 3.11Å; K253-C255 VanDerWaalsContact C-N 3.27Å; K253-C255 PolarHBondContact O-N 3.49Å
254	G	96.4	Very high	98.5	Very high	37 Å²	37	40.4 Å²	40.4	38%	0.381	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	0.6	-174.6	0	0	0	0	0	114.6	W250 N251 K252 H256	W250-G254 PolarHBondContact O-N 3Å; N251-G254 PolarHBondContact O-N 2.94Å; K252-G254 VanDerWaalsContact C-N 3.28Å; G254-H256 PolarHBondContact O-CD2 3.18Å; G254-H256 PolarHBondContact O-N 3.32Å
255	C	97.8	Very high	98.5	Very high	38 Å²	38	37.9 Å²	37.9	26%	0.257	19%	0.187	S	C	.	.			trans	-98	65.1	177.3	-63	0	0	0	0	110.3	P177 T179 W250 K253	P177-C255 CarbonylContact O-C 3.46Å; P177-C255 WeakPolarHBondContact O-CA 3.5Å; T179-C255 HydrophobicContact CG2-CB 4.24Å; W250-C255 HydrophobicContact CE3-CB 3.56Å; W250-C255 HydrophobicContact CZ3-CB 3.95Å; W250-C255 CarbonylContact O-C 3.53Å; W250-C255 PolarHBondContact O-N 3.07Å; W250-C255 VanDerWaalsContact O-N 3.15Å; K253-C255 VanDerWaalsContact C-N 3.27Å; K253-C255 PolarHBondContact O-N 3.49Å
256	H	98.4	Very high	98.4	Very high	56 Å²	56	33.8 Å²	33.8	26%	0.259	17%	0.165	S	C	.	.			trans	-57.9	139.4	-165.9	-69.3	-106.5	0	0	0	113.9	Y149 L178 T179 N251 G254 A258	Y149-H256 HydrophobicContact CE1-CB 3.82Å; Y149-H256 PolarHBondContact OH-ND1 2.91Å; L178-H256 WeakPolarHBondContact CA-O 3.42Å; L178-H256 HydrophobicContact CD2-CB 3.77Å; T179-H256 PolarHBondContact N-O 3.33Å; T179-H256 PolarHBondContact OG1-O 2.85Å; N251-H256 WeakPolarHBondContact OD1-CA 3.38Å; G254-H256 PolarHBondContact O-CD2 3.18Å; G254-H256 PolarHBondContact O-N 3.32Å; H256-A258 PolarHBondContact O-N 2.98Å
257	V	98.8	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	107.4	171.2	-173.6	0	0	0	0	108.6	T179 L181 P214 I247 W250 N251 G259 V260 T291	T179-V257 WeakPolarHBondContact OG1-CA 3.45Å; L181-V257 HydrophobicContact CB-CG1 3.75Å; P214-V257 HydrophobicContact CG-CG2 3.87Å; I247-V257 HydrophobicContact CB-CG2 4.49Å; I247-V257 HydrophobicContact CG1-CB 4.36Å; I247-V257 HydrophobicContact CG1-CG1 4.31Å; I247-V257 HydrophobicContact CG1-CG2 4.31Å; I247-V257 HydrophobicContact CG2-CB 4.4Å; W250-V257 HydrophobicContact CB-CG2 3.85Å; N251-V257 PolarHBondContact OD1-N 3.48Å; V257-G259 VanDerWaalsContact CG1-O 3.3Å; V257-G259 WeakPolarHBondContact CG1-O 3.42Å; V257-V260 HydrophobicContact CG1-CG2 4.44Å; V257-T291 HydrophobicContact CG1-CG2 3.92Å; V257-T291 PolarHBondContact O-OG1 3.42Å
258	A	98.8	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-26.5	-179.4	0	0	0	0	0	112.6	F146 Y149 L178 T179 H256 A292	F146-A258 HydrophobicContact CD1-CB 3.56Å; F146-A258 HydrophobicContact CE1-CB 3.91Å; Y149-A258 HydrophobicContact CD1-CB 4.45Å; Y149-A258 HydrophobicContact CD2-CB 3.97Å; Y149-A258 HydrophobicContact CG-CB 3.85Å; L178-A258 HydrophobicContact CB-CB 4.28Å; L178-A258 HydrophobicContact CD1-CB 4.15Å; T179-A258 PolarHBondContact O-N 3.11Å; H256-A258 PolarHBondContact O-N 2.98Å; A258-A292 PolarHBondContact O-N 3.18Å
259	G	98.9	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.7	176.9	0	0	0	0	0	112.9	I180 L181 V257 A292	I180-G259 CarbonylContact C-O 3.59Å; I180-G259 WeakPolarHBondContact CA-O 3.48Å; L181-G259 PolarHBondContact N-O 3.14Å; V257-G259 VanDerWaalsContact CG1-O 3.3Å; V257-G259 WeakPolarHBondContact CG1-O 3.42Å; G259-A292 CarbonylContact C-O 3.59Å; G259-A292 VanDerWaalsContact CA-O 3.25Å; G259-A292 WeakPolarHBondContact CA-O 3.49Å
260	V	99	Very high	98.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.2	166.3	173.8	0	0	0	0	107.1	L181 F183 I247 V257 L282 V286 T291 A292 I294	L181-V260 HydrophobicContact CB-CG2 4.01Å; L181-V260 HydrophobicContact CD2-CG1 3.92Å; L181-V260 HydrophobicContact CD2-CG2 4.19Å; L181-V260 WeakPolarHBondContact O-CA 3.41Å; F183-V260 HydrophobicContact CE2-CG1 3.67Å; F183-V260 HydrophobicContact CZ-CG1 4Å; I247-V260 HydrophobicContact CD1-CG2 4.11Å; V257-V260 HydrophobicContact CG1-CG2 4.44Å; V260-L282 HydrophobicContact CG1-CD1 4.37Å; V260-V286 HydrophobicContact CB-CG1 3.88Å; V260-V286 HydrophobicContact CG1-CG1 4.46Å; V260-V286 HydrophobicContact CG2-CG1 3.53Å; V260-T291 HydrophobicContact CG2-CG2 3.96Å; V260-A292 PolarHBondContact N-O 2.74Å; V260-I294 PolarHBondContact O-N 3.01Å
261	I	99	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.8	175.1	-172.3	171	0	0	0	111.1	F142 I180 L181 F183 H188 T197 I294 D296	F142-I261 HydrophobicContact CE1-CB 4.15Å; F142-I261 HydrophobicContact CE1-CD1 3.55Å; F142-I261 HydrophobicContact CE1-CG1 4.38Å; F142-I261 HydrophobicContact CE1-CG2 4.26Å; F142-I261 HydrophobicContact CZ-CD1 3.7Å; I180-I261 HydrophobicContact CG2-CB 4.14Å; I180-I261 HydrophobicContact CG2-CG2 3.65Å; L181-I261 PolarHBondContact O-N 2.61Å; F183-I261 VanDerWaalsContact CD2-O 3.22Å; F183-I261 WeakPolarHBondContact CD2-O 3.1Å; F183-I261 WeakPolarHBondContact CE2-O 3.15Å; H188-I261 HydrophobicContact CB-CD1 4.05Å; T197-I261 HydrophobicContact CG2-CG2 4.2Å; I261-I294 VanDerWaalsContact CA-O 3.31Å; I261-I294 WeakPolarHBondContact CA-O 3.42Å; I261-I294 HydrophobicContact CB-CB 4.13Å; I261-I294 HydrophobicContact CB-CG2 4.42Å; I261-I294 HydrophobicContact CD1-CG2 4.16Å; I261-I294 HydrophobicContact CG1-CB 4.19Å; I261-I294 HydrophobicContact CG1-CG2 4Å; I261-D296 HydrophobicContact CD1-CB 4.26Å; I261-D296 HydrophobicContact CG1-CB 4.33Å
262	V	99	Very high	98.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	139	-179.5	72	0	0	0	0	111.8	F183 Y218 F279 L282 L293 I294 V295 D296 W314	F183-V262 HydrophobicContact CD2-CB 4.08Å; F183-V262 HydrophobicContact CD2-CG2 3.89Å; F183-V262 HydrophobicContact CE2-CB 3.71Å; F183-V262 HydrophobicContact CE2-CG2 3.71Å; F183-V262 HydrophobicContact CZ-CG2 4.32Å; Y218-V262 HydrophobicContact CD2-CG2 4.4Å; Y218-V262 HydrophobicContact CE2-CG2 3.87Å; V262-F279 HydrophobicContact CG1-CE1 4.38Å; V262-F279 HydrophobicContact CG2-CE1 3.89Å; V262-L282 HydrophobicContact CB-CD2 4.39Å; V262-L282 HydrophobicContact CG1-CD2 4.11Å; V262-L282 HydrophobicContact CG2-CD2 4.43Å; V262-L293 HydrophobicContact CG1-CD1 4.26Å; V262-I294 PolarHBondContact N-O 3.03Å; V262-V295 WeakPolarHBondContact O-CA 3.33Å; V262-D296 PolarHBondContact O-N 2.94Å; V262-W314 HydrophobicContact CG1-CH2 4.48Å
263	E	98.9	Very high	98.3	Very high	9 Å²	9	19.4 Å²	19.4	4%	0.042	10%	0.104	C	C	.	.			trans	-82.9	142.2	166.7	-69.6	162.1	84.3	0	0	109.5	S186 F187 V265 A267 D296	S186-E263 WeakPolarHBondContact CA-OE2 3.49Å; F187-E263 PolarHBondContact N-OE2 2.9Å; E263-V265 PolarHBondContact O-N 2.95Å; E263-A267 PolarHBondContact OE1-N 3.31Å; E263-D296 HydrophobicContact CG-CB 4.25Å
264	P	98.7	Very high	98.4	Very high	4 Å²	4	13 Å²	13	3%	0.026	8%	0.078	C	C	.	.	S	Bend	trans	-63.1	-29.1	172.4	-26.6	35.2	0	0	0	115.5	F279 V295 D296 E297 T300 A310 W314	P264-F279 WeakPolarHBondContact O-CZ 3.19Å; P264-V295 HydrophobicContact CG-CG1 3.71Å; P264-D296 WeakPolarHBondContact CD-O 3.47Å; P264-E297 HydrophobicContact CG-CG 3.89Å; P264-T300 HydrophobicContact CB-CG2 4.36Å; P264-A310 HydrophobicContact CB-CB 3.84Å; P264-A310 HydrophobicContact CG-CB 4.21Å; P264-W314 HydrophobicContact CB-CH2 4.23Å; P264-W314 HydrophobicContact CB-CZ2 3.5Å; P264-W314 VanDerWaalsContact CB-CZ2 3.5Å; P264-W314 HydrophobicContact CG-CH2 4.02Å; P264-W314 HydrophobicContact CG-CZ2 3.78Å
265	V	98.7	Very high	98.4	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	120	169.5	-175.1	0	0	0	0	105.6	E263 A267 W273 T300 F409	E263-V265 PolarHBondContact O-N 2.95Å; V265-A267 PolarHBondContact O-N 3.29Å; V265-W273 HydrophobicContact CB-CZ2 4.45Å; V265-W273 HydrophobicContact CG1-CD2 4.01Å; V265-W273 HydrophobicContact CG1-CG 4.18Å; V265-W273 HydrophobicContact CG1-CZ2 4.04Å; V265-W273 HydrophobicContact CG2-CD2 3.76Å; V265-W273 HydrophobicContact CG2-CE3 3.6Å; V265-W273 HydrophobicContact CG2-CH2 3.41Å; V265-W273 VanDerWaalsContact CG2-CH2 3.41Å; V265-W273 HydrophobicContact CG2-CZ2 3.6Å; V265-W273 HydrophobicContact CG2-CZ3 3.43Å; V265-W273 VanDerWaalsContact CG2-CZ3 3.43Å; V265-T300 HydrophobicContact CB-CG2 4.1Å; V265-T300 HydrophobicContact CG2-CG2 4.33Å; V265-F409 HydrophobicContact CB-CD1 4.42Å; V265-F409 HydrophobicContact CB-CE1 3.91Å; V265-F409 HydrophobicContact CG1-CD1 4.23Å; V265-F409 HydrophobicContact CG1-CE1 3.8Å; V265-F409 HydrophobicContact CG2-CE1 4.5Å
266	Q	98.7	Very high	98.4	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.009	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	111	178.7	-65.6	-171.7	-43	0	0	109	K184 Y218 R220 D271 H272	K184-Q266 PolarHBondContact O-NE2 3.17Å; K184-Q266 PolarHBondContact O-OE1 3.25Å; Y218-Q266 HydrophobicContact CD1-CG 4.13Å; Y218-Q266 HydrophobicContact CD2-CG 4.11Å; Y218-Q266 HydrophobicContact CE1-CG 4.05Å; Y218-Q266 HydrophobicContact CE2-CG 4.02Å; Y218-Q266 VanDerWaalsContact CG-CD 3.49Å; Y218-Q266 HydrophobicContact CG-CG 4.15Å; R220-Q266 VanDerWaalsContact NH1-OE1 3.15Å; Q266-D271 CarbonylContact O-C 3.47Å; Q266-D271 WeakPolarHBondContact O-CA 3.28Å; Q266-D271 PolarHBondContact O-N 2.75Å; Q266-H272 HydrophobicContact CB-CB 4.14Å; Q266-H272 PolarHBondContact N-O 2.91Å; Q266-H272 PolarHBondContact O-N 3.1Å; Q266-H272 PolarHBondContact OE1-CD2 2.95Å
267	A	98.4	Very high	98.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-66.4	-168.8	0	0	0	0	0	112.3	E263 V265 G269 G270 D271 Q299 F409 C437	E263-A267 PolarHBondContact OE1-N 3.31Å; V265-A267 PolarHBondContact O-N 3.29Å; A267-G269 PolarHBondContact O-N 2.97Å; A267-G270 PolarHBondContact O-N 2.89Å; A267-G270 VanDerWaalsContact O-N 3.17Å; A267-D271 PolarHBondContact O-N 2.86Å; A267-Q299 HydrophobicContact CB-CB 4.41Å; A267-Q299 HydrophobicContact CB-CG 4.19Å; A267-Q299 VanDerWaalsContact CB-NE2 3.27Å; A267-F409 HydrophobicContact CB-CZ 4.19Å; A267-C437 WeakPolarHBondContact O-CB 3.33Å
268	E	98.5	Very high	98.4	Very high	19 Å²	19	14.1 Å²	14.1	9%	0.089	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.7	-178.6	-64.8	-52.6	131.1	0	0	112.5	F187 G270 G438 R443	F187-E268 HydrophobicContact CB-CB 3.7Å; F187-E268 HydrophobicContact CB-CG 3.84Å; F187-E268 HydrophobicContact CD1-CG 3.84Å; F187-E268 HydrophobicContact CD2-CB 4.05Å; F187-E268 HydrophobicContact CD2-CG 3.82Å; F187-E268 HydrophobicContact CE1-CG 4.36Å; F187-E268 HydrophobicContact CE2-CG 4.34Å; F187-E268 HydrophobicContact CG-CB 3.89Å; F187-E268 HydrophobicContact CG-CG 3.55Å; E268-G270 PolarHBondContact O-N 2.87Å; E268-G438 PolarHBondContact O-N 2.94Å; E268-R443 VanDerWaalsContact CD-NH1 3.33Å; E268-R443 IonicContact OE1-CZ 3.48Å; E268-R443 IonicContact OE1-NH1 2.73Å; E268-R443 PolarHBondContact OE1-NH1 2.98Å; E268-R443 IonicContact OE1-NH2 3.62Å; E268-R443 PolarHBondContact OE1-NH2 3.04Å; E268-R443 IonicContact OE2-CZ 2.73Å; E268-R443 IonicContact OE2-NH1 3.8Å; E268-R443 IonicContact OE2-NH2 3.2Å; E268-R443 PolarHBondContact OE2-NH2 3.34Å
269	G	97.3	Very high	98.4	Very high	10 Å²	10	14.2 Å²	14.2	10%	0.103	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.1	177.3	0	0	0	0	0	114.6	G185 A267 H272 G438	G185-G269 WeakPolarHBondContact O-CA 3.3Å; A267-G269 PolarHBondContact O-N 2.97Å; G269-H272 PolarHBondContact O-NE2 3.44Å; G269-G438 WeakPolarHBondContact O-CA 3.19Å
270	G	97.4	Very high	98.4	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.021	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	133.3	35.8	179.3	0	0	0	0	0	114.7	A267 E268 H272 R404	A267-G270 PolarHBondContact O-N 2.89Å; A267-G270 VanDerWaalsContact O-N 3.17Å; E268-G270 PolarHBondContact O-N 2.87Å; G270-H272 VanDerWaalsContact C-N 3.32Å; G270-H272 PolarHBondContact O-N 2.97Å; G270-R404 PolarHBondContact O-NH2 3.14Å
271	D	98.6	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.			trans	50	48.6	-178.8	-80	-123	0	0	0	112.9	Q266 A267 W273 R404 A411 C437 R445	Q266-D271 CarbonylContact O-C 3.47Å; Q266-D271 WeakPolarHBondContact O-CA 3.28Å; Q266-D271 PolarHBondContact O-N 2.75Å; A267-D271 PolarHBondContact O-N 2.86Å; D271-W273 VanDerWaalsContact O-CD1 3.25Å; D271-W273 PolarHBondContact O-N 2.83Å; D271-R404 WeakPolarHBondContact O-CD 3.3Å; D271-R404 PolarHBondContact O-NE 3.36Å; D271-A411 HydrophobicContact CB-CB 3.53Å; D271-A411 WeakPolarHBondContact OD1-CB 3.25Å; D271-C437 PolarHBondContact OD2-SG 2.91Å; D271-R445 IonicContact OD1-CZ 2.65Å; D271-R445 VanDerWaalsContact OD1-CZ 3.28Å; D271-R445 IonicContact OD1-NH1 2.86Å; D271-R445 PolarHBondContact OD1-NH1 3.21Å; D271-R445 IonicContact OD1-NH2 3.12Å; D271-R445 PolarHBondContact OD1-NH2 3.29Å; D271-R445 IonicContact OD2-CZ 3.84Å; D271-R445 IonicContact OD2-NH2 3.83Å; D271-R445 PolarHBondContact OD2-NH2 2.9Å
272	H	98.4	Very high	98.4	Very high	43 Å²	43	21.3 Å²	21.3	20%	0.199	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.7	-180	-56.8	-57.7	0	0	0	110.9	Y218 R220 Q266 G269 G270	Y218-H272 HydrophobicContact CD1-CB 4.07Å; Y218-H272 HydrophobicContact CE1-CB 3.96Å; Y218-H272 WeakPolarHBondContact CE1-O 3.44Å; R220-H272 PolarHBondContact NH1-CD2 3.47Å; R220-H272 PolarHBondContact NH2-CD2 2.94Å; R220-H272 VanDerWaalsContact NH2-CD2 3.32Å; R220-H272 PolarHBondContact NH2-NE2 3.37Å; Q266-H272 HydrophobicContact CB-CB 4.14Å; Q266-H272 PolarHBondContact N-O 2.91Å; Q266-H272 PolarHBondContact O-N 3.1Å; Q266-H272 PolarHBondContact OE1-CD2 2.95Å; G269-H272 PolarHBondContact O-NE2 3.44Å; G270-H272 VanDerWaalsContact C-N 3.32Å; G270-H272 PolarHBondContact O-N 2.97Å
273	W	98.2	Very high	98.4	Very high	42 Å²	42	21.2 Å²	21.2	16%	0.159	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	150.3	176.5	-69.7	78.5	0	0	0	110.7	V265 D271 T305 L406 F409	V265-W273 HydrophobicContact CB-CZ2 4.45Å; V265-W273 HydrophobicContact CG1-CD2 4.01Å; V265-W273 HydrophobicContact CG1-CG 4.18Å; V265-W273 HydrophobicContact CG1-CZ2 4.04Å; V265-W273 HydrophobicContact CG2-CD2 3.76Å; V265-W273 HydrophobicContact CG2-CE3 3.6Å; V265-W273 HydrophobicContact CG2-CH2 3.41Å; V265-W273 VanDerWaalsContact CG2-CH2 3.41Å; V265-W273 HydrophobicContact CG2-CZ2 3.6Å; V265-W273 HydrophobicContact CG2-CZ3 3.43Å; V265-W273 VanDerWaalsContact CG2-CZ3 3.43Å; D271-W273 VanDerWaalsContact O-CD1 3.25Å; D271-W273 PolarHBondContact O-N 2.83Å; W273-T305 HydrophobicContact CH2-CG2 4.36Å; W273-L406 HydrophobicContact CH2-CB 3.43Å; W273-L406 VanDerWaalsContact CH2-CB 3.43Å; W273-L406 HydrophobicContact CZ2-CB 4.25Å; W273-L406 HydrophobicContact CZ3-CB 3.78Å; W273-L406 HydrophobicContact CZ3-CD2 4.42Å; W273-F409 HydrophobicContact CZ2-CD1 4.13Å; W273-F409 WeakPolarHBondContact CZ2-O 3.33Å
274	A	98.1	Very high	98.3	Very high	9 Å²	9	24.9 Å²	24.9	7%	0.074	13%	0.132	C	C	.	.			trans	-130.6	158.3	166	0	0	0	0	0	109.2	Y218 P219 F278 F279	Y218-A274 HydrophobicContact CE1-CB 4Å; P219-A274 HydrophobicContact CB-CB 4.43Å; P219-A274 HydrophobicContact CG-CB 4.05Å; A274-F278 HydrophobicContact CB-CB 4.14Å; A274-F278 HydrophobicContact CB-CD1 3.6Å; A274-F278 HydrophobicContact CB-CE1 4.23Å; A274-F278 HydrophobicContact CB-CG 3.97Å; A274-F279 HydrophobicContact CB-CE2 3.83Å; A274-F279 HydrophobicContact CB-CZ 3.96Å
275	S	97.6	Very high	98.3	Very high	36 Å²	36	25.5 Å²	25.5	25%	0.252	14%	0.136	S	C	.	.			trans	-70.2	152.9	-176	77.2	0	0	0	0	110.6	Y221 D236 S277 F278 F279	Y221-S275 VanDerWaalsContact OH-CB 3.28Å; Y221-S275 WeakPolarHBondContact OH-CB 3.31Å; Y221-S275 PolarHBondContact OH-N 3.16Å; D236-S275 PolarHBondContact OD2-OG 2.73Å; S275-S277 PolarHBondContact O-N 2.94Å; S275-S277 VanDerWaalsContact O-N 3.1Å; S275-S277 WeakPolarHBondContact OG-CB 3.37Å; S275-S277 PolarHBondContact OG-N 2.82Å; S275-F278 WeakPolarHBondContact O-CB 3.37Å; S275-F278 PolarHBondContact O-N 2.97Å; S275-F278 PolarHBondContact OG-N 3.44Å; S275-F279 VanDerWaalsContact O-CD2 3.25Å; S275-F279 WeakPolarHBondContact O-CD2 3.38Å; S275-F279 PolarHBondContact O-N 3.35Å
276	N	98	Very high	98.3	Very high	68 Å²	68	25.5 Å²	25.5	36%	0.364	14%	0.135	S	C	.	.	H	α-helix	trans	-56.6	-28.9	171	-65.2	-20.8	0	0	0	111.6	R280 H313	N276-R280 WeakPolarHBondContact O-CG 3.22Å; N276-R280 PolarHBondContact O-N 2.84Å; N276-R280 PolarHBondContact O-NH1 2.86Å; N276-H313 PolarHBondContact ND2-O 3.38Å; N276-H313 VanDerWaalsContact ND2-O 3.12Å
277	S	97.8	Very high	98.3	Very high	50 Å²	50	28.1 Å²	28.1	35%	0.35	15%	0.147	S	C	.	.	H	α-helix	trans	-68.3	-41.7	176.5	-164.4	0	0	0	0	112.2	S275 F279 R280 N281	S275-S277 PolarHBondContact O-N 2.94Å; S275-S277 VanDerWaalsContact O-N 3.1Å; S275-S277 WeakPolarHBondContact OG-CB 3.37Å; S275-S277 PolarHBondContact OG-N 2.82Å; S277-F279 VanDerWaalsContact C-N 3.32Å; S277-F279 PolarHBondContact O-N 2.94Å; S277-R280 PolarHBondContact O-N 2.91Å; S277-N281 PolarHBondContact O-N 3.31Å; S277-N281 PolarHBondContact O-ND2 3.48Å; S277-N281 PolarHBondContact OG-ND2 3.22Å
278	F	98.7	Very high	98.3	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-53	-50.9	174.5	173.6	-96.7	0	0	0	110.9	F183 Y218 P219 D236 C239 L240 A274 S275 R280 N281 L282	F183-F278 HydrophobicContact CE1-CZ 4.22Å; Y218-F278 HydrophobicContact CE2-CE1 4.36Å; P219-F278 HydrophobicContact CG-CD2 3.66Å; P219-F278 HydrophobicContact CG-CE1 4.43Å; P219-F278 HydrophobicContact CG-CE2 3.58Å; P219-F278 HydrophobicContact CG-CG 4.14Å; P219-F278 HydrophobicContact CG-CZ 3.99Å; D236-F278 HydrophobicContact CB-CD2 4.3Å; C239-F278 HydrophobicContact CB-CE2 3.93Å; L240-F278 HydrophobicContact CD1-CD2 4.04Å; L240-F278 HydrophobicContact CD2-CD2 3.9Å; L240-F278 HydrophobicContact CD2-CE2 3.77Å; L240-F278 HydrophobicContact CD2-CZ 4.38Å; L240-F278 HydrophobicContact CG-CD2 3.71Å; L240-F278 HydrophobicContact CG-CE2 3.73Å; A274-F278 HydrophobicContact CB-CB 4.14Å; A274-F278 HydrophobicContact CB-CD1 3.6Å; A274-F278 HydrophobicContact CB-CE1 4.23Å; A274-F278 HydrophobicContact CB-CG 3.97Å; S275-F278 WeakPolarHBondContact O-CB 3.37Å; S275-F278 PolarHBondContact O-N 2.97Å; S275-F278 PolarHBondContact OG-N 3.44Å; F278-R280 PolarHBondContact O-N 3.18Å; F278-N281 PolarHBondContact O-N 3.07Å; F278-L282 HydrophobicContact CE1-CD2 4.37Å; F278-L282 WeakPolarHBondContact O-CB 3.14Å; F278-L282 PolarHBondContact O-N 2.61Å
279	F	98.8	Very high	98.3	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-68.2	-35.6	-178	-64.6	-71.7	0	0	0	114.1	Y218 V262 P264 A274 S275 S277 L282 Q283 W314	Y218-F279 WeakPolarHBondContact OH-CZ 3.33Å; V262-F279 HydrophobicContact CG1-CE1 4.38Å; V262-F279 HydrophobicContact CG2-CE1 3.89Å; P264-F279 WeakPolarHBondContact O-CZ 3.19Å; A274-F279 HydrophobicContact CB-CE2 3.83Å; A274-F279 HydrophobicContact CB-CZ 3.96Å; S275-F279 VanDerWaalsContact O-CD2 3.25Å; S275-F279 WeakPolarHBondContact O-CD2 3.38Å; S275-F279 PolarHBondContact O-N 3.35Å; S277-F279 VanDerWaalsContact C-N 3.32Å; S277-F279 PolarHBondContact O-N 2.94Å; F279-L282 PolarHBondContact O-N 2.73Å; F279-Q283 PolarHBondContact O-N 3.32Å; F279-W314 HydrophobicContact CB-CB 4.37Å; F279-W314 HydrophobicContact CB-CD2 3.44Å; F279-W314 VanDerWaalsContact CB-CD2 3.44Å; F279-W314 HydrophobicContact CB-CE3 3.53Å; F279-W314 HydrophobicContact CB-CG 3.84Å; F279-W314 HydrophobicContact CB-CH2 4.29Å; F279-W314 HydrophobicContact CB-CZ2 4.2Å; F279-W314 HydrophobicContact CB-CZ3 3.97Å; F279-W314 HydrophobicContact CD1-CD2 4.26Å; F279-W314 AromaticContact CD1-CE2 3.85Å; F279-W314 HydrophobicContact CD1-CE3 4.24Å; F279-W314 AromaticContact CD1-CH2 3.42Å; F279-W314 HydrophobicContact CD1-CH2 3.42Å; F279-W314 VanDerWaalsContact CD1-CH2 3.42Å; F279-W314 AromaticContact CD1-CZ2 3.41Å; F279-W314 HydrophobicContact CD1-CZ2 3.41Å; F279-W314 VanDerWaalsContact CD1-CZ2 3.41Å; F279-W314 AromaticContact CD1-CZ3 3.86Å; F279-W314 HydrophobicContact CD1-CZ3 3.86Å; F279-W314 AromaticContact CD2-CD1 3.75Å; F279-W314 AromaticContact CD2-CD2 3.84Å; F279-W314 HydrophobicContact CD2-CD2 3.84Å; F279-W314 AromaticContact CD2-CE2 3.3Å; F279-W314 HydrophobicContact CD2-CG 4.09Å; F279-W314 HydrophobicContact CD2-CH2 4.41Å; F279-W314 AromaticContact CD2-CZ2 3.62Å; F279-W314 HydrophobicContact CD2-CZ2 3.62Å; F279-W314 AromaticContact CD2-NE1 3.25Å; F279-W314 VanDerWaalsContact CD2-NE1 3.25Å; F279-W314 AromaticContact CE1-CH2 3.7Å; F279-W314 HydrophobicContact CE1-CH2 3.7Å; F279-W314 AromaticContact CE1-CZ2 3.48Å; F279-W314 HydrophobicContact CE1-CZ2 3.48Å; F279-W314 VanDerWaalsContact CE1-CZ2 3.48Å; F279-W314 AromaticContact CE2-CE2 3.69Å; F279-W314 AromaticContact CE2-CZ2 3.68Å; F279-W314 HydrophobicContact CE2-CZ2 3.68Å; F279-W314 AromaticContact CE2-NE1 3.55Å; F279-W314 AromaticContact CG-CD2 3.6Å; F279-W314 HydrophobicContact CG-CD2 3.6Å; F279-W314 AromaticContact CG-CE2 3.37Å; F279-W314 AromaticContact CG-CE3 3.9Å; F279-W314 HydrophobicContact CG-CE3 3.9Å; F279-W314 HydrophobicContact CG-CG 4.18Å; F279-W314 AromaticContact CG-CH2 3.81Å; F279-W314 HydrophobicContact CG-CH2 3.81Å; F279-W314 AromaticContact CG-CZ2 3.47Å; F279-W314 HydrophobicContact CG-CZ2 3.47Å; F279-W314 VanDerWaalsContact CG-CZ2 3.47Å; F279-W314 HydrophobicContact CG-CZ3 4.01Å; F279-W314 AromaticContact CG-NE1 3.84Å; F279-W314 HydrophobicContact CZ-CH2 4.29Å; F279-W314 AromaticContact CZ-CZ2 3.6Å; F279-W314 HydrophobicContact CZ-CZ2 3.6Å
280	R	98.7	Very high	98.3	Very high	82 Å²	82	37.7 Å²	37.7	31%	0.309	19%	0.193	S	C	.	.	H	α-helix	trans	-62.9	-43.9	172.5	-74	-174	-62.2	-93.7	2.6	111.5	N276 S277 F278 Q283 N284 W314 L316	N276-R280 WeakPolarHBondContact O-CG 3.22Å; N276-R280 PolarHBondContact O-N 2.84Å; N276-R280 PolarHBondContact O-NH1 2.86Å; S277-R280 PolarHBondContact O-N 2.91Å; F278-R280 PolarHBondContact O-N 3.18Å; R280-Q283 PolarHBondContact O-N 2.88Å; R280-N284 PolarHBondContact O-N 3.24Å; R280-N284 VanDerWaalsContact O-N 3.12Å; R280-W314 WeakPolarHBondContact CD-O 3.41Å; R280-W314 WeakPolarHBondContact CG-O 3.46Å; R280-W314 PolarHBondContact NH1-O 2.7Å; R280-L316 HydrophobicContact CG-CD2 4.11Å
281	N	98.7	Very high	98.3	Very high	66 Å²	66	37.7 Å²	37.7	35%	0.353	19%	0.193	S	C	.	.	H	α-helix	trans	-69.9	-35.2	177.7	-72.9	-64.2	0	0	0	112.2	L240 S277 F278 Q283 N284 I285	L240-N281 HydrophobicContact CD1-CB 3.58Å; L240-N281 HydrophobicContact CD2-CB 4.27Å; S277-N281 PolarHBondContact O-N 3.31Å; S277-N281 PolarHBondContact O-ND2 3.48Å; S277-N281 PolarHBondContact OG-ND2 3.22Å; F278-N281 PolarHBondContact O-N 3.07Å; N281-Q283 VanDerWaalsContact C-N 3.31Å; N281-Q283 PolarHBondContact O-N 3.02Å; N281-N284 WeakPolarHBondContact O-CB 3.35Å; N281-N284 PolarHBondContact O-N 3.28Å; N281-N284 VanDerWaalsContact O-N 3.13Å; N281-I285 WeakPolarHBondContact O-CG1 3.33Å; N281-I285 PolarHBondContact O-N 3.13Å
282	L	98.9	Very high	98.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-45.5	170.6	-179	61.8	0	0	0	110.8	F183 L240 V243 V260 V262 F278 F279 N284 I285 V286 L293	F183-L282 HydrophobicContact CE2-CD2 4.48Å; F183-L282 HydrophobicContact CZ-CD1 4.16Å; F183-L282 HydrophobicContact CZ-CD2 3.99Å; L240-L282 HydrophobicContact CD2-CB 3.94Å; L240-L282 HydrophobicContact CD2-CD1 4.45Å; V243-L282 HydrophobicContact CG1-CD1 3.8Å; V243-L282 HydrophobicContact CG2-CD1 4.34Å; V260-L282 HydrophobicContact CG1-CD1 4.37Å; V262-L282 HydrophobicContact CB-CD2 4.39Å; V262-L282 HydrophobicContact CG1-CD2 4.11Å; V262-L282 HydrophobicContact CG2-CD2 4.43Å; F278-L282 HydrophobicContact CE1-CD2 4.37Å; F278-L282 WeakPolarHBondContact O-CB 3.14Å; F278-L282 PolarHBondContact O-N 2.61Å; F279-L282 PolarHBondContact O-N 2.73Å; L282-N284 VanDerWaalsContact C-N 3.29Å; L282-N284 PolarHBondContact O-N 2.83Å; L282-I285 PolarHBondContact O-N 2.98Å; L282-V286 HydrophobicContact CD1-CG1 4.26Å; L282-V286 WeakPolarHBondContact O-CG1 3.31Å; L282-V286 PolarHBondContact O-N 3.18Å; L282-L293 HydrophobicContact CD2-CD1 4.21Å; L282-L293 HydrophobicContact CG-CD1 4.37Å
283	Q	98.6	Very high	98.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-39.4	175.7	-171.7	-179.1	78.8	0	0	112	F279 R280 N281 V286 K287 L293 L316 P317 Q318 P319	F279-Q283 PolarHBondContact O-N 3.32Å; R280-Q283 PolarHBondContact O-N 2.88Å; N281-Q283 VanDerWaalsContact C-N 3.31Å; N281-Q283 PolarHBondContact O-N 3.02Å; Q283-V286 WeakPolarHBondContact O-CG2 3.44Å; Q283-K287 HydrophobicContact CG-CD 4.06Å; Q283-K287 HydrophobicContact CG-CG 4.4Å; Q283-K287 WeakPolarHBondContact O-CB 3.1Å; Q283-K287 VanDerWaalsContact O-CG 3.31Å; Q283-K287 WeakPolarHBondContact O-CG 3.19Å; Q283-K287 PolarHBondContact O-N 3.36Å; Q283-K287 VanDerWaalsContact O-N 3.11Å; Q283-L293 HydrophobicContact CB-CD2 4Å; Q283-L293 HydrophobicContact CG-CD2 4.11Å; Q283-L316 HydrophobicContact CB-CD2 4.02Å; Q283-P317 VanDerWaalsContact OE1-CD 3.27Å; Q283-P317 VanDerWaalsContact OE1-CG 3.28Å; Q283-Q318 PolarHBondContact NE2-O 3.04Å; Q283-Q318 PolarHBondContact OE1-O 3.05Å; Q283-P319 PolarHBondContact NE2-O 2.9Å
284	N	98.6	Very high	98.4	Very high	85 Å²	85	33.7 Å²	33.7	46%	0.455	18%	0.176	S	C	.	.	H	α-helix	trans	-62.7	-44.2	177.4	-66.3	-21.8	0	0	0	111.5	R280 N281 L282 K288	R280-N284 PolarHBondContact O-N 3.24Å; R280-N284 VanDerWaalsContact O-N 3.12Å; N281-N284 WeakPolarHBondContact O-CB 3.35Å; N281-N284 PolarHBondContact O-N 3.28Å; N281-N284 VanDerWaalsContact O-N 3.13Å; L282-N284 VanDerWaalsContact C-N 3.29Å; L282-N284 PolarHBondContact O-N 2.83Å; N284-K288 PolarHBondContact O-N 2.82Å; N284-K288 VanDerWaalsContact O-N 3.08Å
285	I	98.7	Very high	98.4	Very high	18 Å²	18	33.2 Å²	33.2	9%	0.092	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-54	177.7	-66.8	167.7	0	0	0	110.4	L240 V243 E244 I247 N281 L282 K287 K288 Y289	L240-I285 HydrophobicContact CB-CD1 3.87Å; L240-I285 HydrophobicContact CD2-CD1 3.85Å; L240-I285 HydrophobicContact CG-CD1 4.42Å; L240-I285 WeakPolarHBondContact O-CD1 3.28Å; V243-I285 HydrophobicContact CG1-CG2 4.29Å; E244-I285 HydrophobicContact CB-CD1 4.36Å; E244-I285 HydrophobicContact CB-CG2 3.88Å; E244-I285 HydrophobicContact CG-CG2 4.3Å; I247-I285 HydrophobicContact CD1-CG2 4.05Å; N281-I285 WeakPolarHBondContact O-CG1 3.33Å; N281-I285 PolarHBondContact O-N 3.13Å; L282-I285 PolarHBondContact O-N 2.98Å; I285-K287 VanDerWaalsContact C-N 3.26Å; I285-K287 PolarHBondContact O-N 2.94Å; I285-K288 WeakPolarHBondContact O-CB 3.3Å; I285-K288 PolarHBondContact O-N 3.08Å; I285-K288 VanDerWaalsContact O-N 3.09Å; I285-Y289 HydrophobicContact CG2-CD2 4.43Å; I285-Y289 HydrophobicContact CG2-CE2 4.48Å; I285-Y289 WeakPolarHBondContact O-CD2 3.15Å; I285-Y289 PolarHBondContact O-N 3.07Å
286	V	98.5	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-35.6	-175.4	-56.8	0	0	0	0	112.3	I247 V260 L282 Q283 Y289 G290 T291 L293	I247-V286 HydrophobicContact CD1-CG1 4.49Å; V260-V286 HydrophobicContact CB-CG1 3.88Å; V260-V286 HydrophobicContact CG1-CG1 4.46Å; V260-V286 HydrophobicContact CG2-CG1 3.53Å; L282-V286 HydrophobicContact CD1-CG1 4.26Å; L282-V286 WeakPolarHBondContact O-CG1 3.31Å; L282-V286 PolarHBondContact O-N 3.18Å; Q283-V286 WeakPolarHBondContact O-CG2 3.44Å; V286-Y289 PolarHBondContact O-N 3.07Å; V286-G290 PolarHBondContact O-N 2.6Å; V286-T291 HydrophobicContact CB-CG2 4.47Å; V286-T291 WeakPolarHBondContact O-CB 3.16Å; V286-T291 PolarHBondContact O-N 3.26Å; V286-L293 HydrophobicContact CG2-CB 3.99Å
287	K	97.9	Very high	98.5	Very high	58 Å²	58	28.6 Å²	28.6	25%	0.252	15%	0.145	S	C	.	.	H	α-helix	trans	-66.1	-40.4	175	-76.9	-177.4	178.4	174.6	0	113.2	Q283 I285 Y289 G290 Q318	Q283-K287 HydrophobicContact CG-CD 4.06Å; Q283-K287 HydrophobicContact CG-CG 4.4Å; Q283-K287 WeakPolarHBondContact O-CB 3.1Å; Q283-K287 VanDerWaalsContact O-CG 3.31Å; Q283-K287 WeakPolarHBondContact O-CG 3.19Å; Q283-K287 PolarHBondContact O-N 3.36Å; Q283-K287 VanDerWaalsContact O-N 3.11Å; I285-K287 VanDerWaalsContact C-N 3.26Å; I285-K287 PolarHBondContact O-N 2.94Å; K287-Y289 PolarHBondContact O-N 3.22Å; K287-Y289 VanDerWaalsContact O-N 3.16Å; K287-G290 PolarHBondContact O-N 3.43Å; K287-Q318 VanDerWaalsContact NZ-CB 3.29Å
288	K	98.2	Very high	98.6	Very high	144 Å²	144	27.1 Å²	27.1	63%	0.626	13%	0.133	S	C	*	.	H	α-helix	trans	-54.1	-33.7	175.7	177.4	-176.7	171.4	-173.1	0	111.9	E244 N284 I285	E244-K288 WeakPolarHBondContact OE1-CE 3.42Å; E244-K288 IonicContact OE1-NZ 3.08Å; E244-K288 PolarHBondContact OE1-NZ 2.88Å; N284-K288 PolarHBondContact O-N 2.82Å; N284-K288 VanDerWaalsContact O-N 3.08Å; I285-K288 WeakPolarHBondContact O-CB 3.3Å; I285-K288 PolarHBondContact O-N 3.08Å; I285-K288 VanDerWaalsContact O-N 3.09Å
289	Y	98	Very high	98.6	Very high	53 Å²	53	27.5 Å²	27.5	21%	0.208	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	8.6	-180	-67.9	-89.4	0	0	0	114.3	E244 I247 I285 V286 K287 T291	E244-Y289 HydrophobicContact CG-CE2 3.77Å; E244-Y289 WeakPolarHBondContact CG-OH 3.38Å; E244-Y289 PolarHBondContact OE1-OH 3.35Å; I247-Y289 HydrophobicContact CG2-CD1 3.68Å; I247-Y289 HydrophobicContact CG2-CD2 3.98Å; I247-Y289 HydrophobicContact CG2-CE1 4.32Å; I247-Y289 HydrophobicContact CG2-CG 3.47Å; I247-Y289 VanDerWaalsContact CG2-CG 3.47Å; I285-Y289 HydrophobicContact CG2-CD2 4.43Å; I285-Y289 HydrophobicContact CG2-CE2 4.48Å; I285-Y289 WeakPolarHBondContact O-CD2 3.15Å; I285-Y289 PolarHBondContact O-N 3.07Å; V286-Y289 PolarHBondContact O-N 3.07Å; K287-Y289 PolarHBondContact O-N 3.22Å; K287-Y289 VanDerWaalsContact O-N 3.16Å; Y289-T291 PolarHBondContact O-N 2.96Å
290	G	97.5	Very high	98.6	Very high	32 Å²	32	27.6 Å²	27.6	33%	0.33	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	24.7	-179	0	0	0	0	0	114.2	W148 V286 K287	W148-G290 WeakPolarHBondContact CH2-O 3.49Å; W148-G290 WeakPolarHBondContact CZ3-O 3.35Å; V286-G290 PolarHBondContact O-N 2.6Å; K287-G290 PolarHBondContact O-N 3.43Å
291	T	98.2	Very high	98.6	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-91.9	143.7	-178.4	-57.3	0	0	0	0	110.4	V257 V260 V286 Y289	V257-T291 HydrophobicContact CG1-CG2 3.92Å; V257-T291 PolarHBondContact O-OG1 3.42Å; V260-T291 HydrophobicContact CG2-CG2 3.96Å; V286-T291 HydrophobicContact CB-CG2 4.47Å; V286-T291 WeakPolarHBondContact O-CB 3.16Å; V286-T291 PolarHBondContact O-N 3.26Å; Y289-T291 PolarHBondContact O-N 2.96Å
292	A	98.7	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.4	177.8	0	0	0	0	0	111.9	A145 W148 A258 G259 V260 E321	A145-A292 HydrophobicContact CB-CB 4.16Å; W148-A292 HydrophobicContact CE3-CB 4.3Å; W148-A292 HydrophobicContact CH2-CB 4.05Å; W148-A292 HydrophobicContact CZ3-CB 3.77Å; A258-A292 PolarHBondContact O-N 3.18Å; G259-A292 CarbonylContact C-O 3.59Å; G259-A292 VanDerWaalsContact CA-O 3.25Å; G259-A292 WeakPolarHBondContact CA-O 3.49Å; V260-A292 PolarHBondContact N-O 2.74Å; A292-E321 HydrophobicContact CB-CB 3.85Å; A292-E321 HydrophobicContact CB-CG 4.12Å
293	L	98.9	Very high	98.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.4	165.4	-171.8	57.4	0	0	0	110.2	V262 L282 Q283 V286 V295 L316 P320 E321 I322	V262-L293 HydrophobicContact CG1-CD1 4.26Å; L282-L293 HydrophobicContact CD2-CD1 4.21Å; L282-L293 HydrophobicContact CG-CD1 4.37Å; Q283-L293 HydrophobicContact CB-CD2 4Å; Q283-L293 HydrophobicContact CG-CD2 4.11Å; V286-L293 HydrophobicContact CG2-CB 3.99Å; L293-V295 HydrophobicContact CD2-CG2 4.43Å; L293-V295 HydrophobicContact CG-CG2 4.16Å; L293-L316 HydrophobicContact CD2-CD1 4.44Å; L293-P320 HydrophobicContact CB-CB 4.27Å; L293-P320 HydrophobicContact CD2-CB 4.08Å; L293-P320 HydrophobicContact CG-CB 4.15Å; L293-E321 PolarHBondContact N-OE2 3.19Å; L293-E321 PolarHBondContact O-N 2.72Å; L293-E321 VanDerWaalsContact O-N 3.1Å; L293-I322 PolarHBondContact O-N 3.06Å
294	I	99	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114.1	175.6	-51.1	177.5	0	0	0	108.1	A141 F142 A145 I180 V260 I261 V262 I322 T324	A141-I294 HydrophobicContact CB-CG2 4.3Å; F142-I294 HydrophobicContact CD1-CD1 3.85Å; F142-I294 HydrophobicContact CE1-CD1 4.23Å; A145-I294 HydrophobicContact CB-CD1 4.2Å; I180-I294 HydrophobicContact CD1-CD1 4.37Å; V260-I294 PolarHBondContact O-N 3.01Å; I261-I294 VanDerWaalsContact CA-O 3.31Å; I261-I294 WeakPolarHBondContact CA-O 3.42Å; I261-I294 HydrophobicContact CB-CB 4.13Å; I261-I294 HydrophobicContact CB-CG2 4.42Å; I261-I294 HydrophobicContact CD1-CG2 4.16Å; I261-I294 HydrophobicContact CG1-CB 4.19Å; I261-I294 HydrophobicContact CG1-CG2 4Å; V262-I294 PolarHBondContact N-O 3.03Å; I294-I322 WeakPolarHBondContact CA-O 3.47Å; I294-I322 HydrophobicContact CB-CB 4.47Å; I294-I322 HydrophobicContact CD1-CD1 4.47Å; I294-I322 HydrophobicContact CG1-CB 4.25Å; I294-I322 HydrophobicContact CG1-CD1 4.3Å; I294-I322 HydrophobicContact CG2-CB 4.19Å; I294-I322 HydrophobicContact CG2-CG2 4.18Å; I294-T324 HydrophobicContact CG2-CG2 4.47Å
295	V	99	Very high	98.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.5	178.3	-175.3	0	0	0	0	109.3	V262 P264 L293 E297 H311 W314 P320 I322 V323 T324	V262-V295 WeakPolarHBondContact O-CA 3.33Å; P264-V295 HydrophobicContact CG-CG1 3.71Å; L293-V295 HydrophobicContact CD2-CG2 4.43Å; L293-V295 HydrophobicContact CG-CG2 4.16Å; V295-E297 HydrophobicContact CG1-CG 3.82Å; V295-E297 PolarHBondContact O-N 3Å; V295-H311 HydrophobicContact CG1-CB 4.07Å; V295-W314 HydrophobicContact CG1-CH2 3.81Å; V295-W314 HydrophobicContact CG1-CZ3 4.2Å; V295-W314 HydrophobicContact CG2-CH2 4.22Å; V295-W314 HydrophobicContact CG2-CZ3 3.89Å; V295-P320 HydrophobicContact CG2-CB 3.66Å; V295-P320 HydrophobicContact CG2-CG 3.95Å; V295-I322 PolarHBondContact N-O 3.34Å; V295-V323 HydrophobicContact CB-CG2 4.31Å; V295-V323 CarbonylContact O-C 3.58Å; V295-V323 VanDerWaalsContact O-CA 3.32Å; V295-V323 WeakPolarHBondContact O-CA 3.43Å; V295-T324 PolarHBondContact O-N 2.84Å
296	D	99	Very high	98.6	Very high	6 Å²	6	16 Å²	16	3%	0.032	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	98.7	178	-171.5	-18.8	0	0	0	110.8	N138 H188 I261 V262 E263 P264 V298 T324	N138-D296 PolarHBondContact ND2-OD2 3.01Å; H188-D296 IonicContact CE1-OD2 2.84Å; H188-D296 IonicContact CG-OD2 3.7Å; H188-D296 IonicContact ND1-OD2 3.83Å; H188-D296 PolarHBondContact ND1-OD2 2.84Å; I261-D296 HydrophobicContact CD1-CB 4.26Å; I261-D296 HydrophobicContact CG1-CB 4.33Å; V262-D296 PolarHBondContact O-N 2.94Å; E263-D296 HydrophobicContact CG-CB 4.25Å; P264-D296 WeakPolarHBondContact CD-O 3.47Å; D296-V298 WeakPolarHBondContact OD1-CB 3.34Å; D296-V298 WeakPolarHBondContact OD1-CG2 3.36Å; D296-V298 PolarHBondContact OD1-N 3.45Å; D296-T324 WeakPolarHBondContact CA-OG1 3.29Å
297	E	98.9	Very high	98.6	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.097	C	C	.	.			trans	-103.3	22.2	176.6	-67.7	-116.5	-140.5	0	0	112	P264 V295 Q299 T300 G301 W309 A310 H311 V323 T324	P264-E297 HydrophobicContact CG-CG 3.89Å; V295-E297 HydrophobicContact CG1-CG 3.82Å; V295-E297 PolarHBondContact O-N 3Å; E297-Q299 PolarHBondContact O-N 3.47Å; E297-Q299 VanDerWaalsContact O-N 3.16Å; E297-T300 VanDerWaalsContact OE2-C 3.24Å; E297-T300 WeakPolarHBondContact OE2-CB 3.42Å; E297-T300 PolarHBondContact OE2-OG1 3.14Å; E297-G301 WeakPolarHBondContact O-CA 3.47Å; E297-G301 PolarHBondContact O-N 3.31Å; E297-G301 PolarHBondContact OE2-N 2.9Å; E297-W309 HydrophobicContact CB-CE3 3.9Å; E297-W309 HydrophobicContact CB-CZ3 4.21Å; E297-W309 HydrophobicContact CG-CE3 4.42Å; E297-W309 WeakPolarHBondContact OE1-CB 3.42Å; E297-A310 VanDerWaalsContact CD-N 3.32Å; E297-A310 PolarHBondContact OE1-N 3.01Å; E297-A310 WeakPolarHBondContact OE2-CB 3.21Å; E297-A310 PolarHBondContact OE2-N 2.74Å; E297-H311 IonicContact OE1-CE1 3.55Å; E297-H311 IonicContact OE1-CG 3.68Å; E297-H311 PolarHBondContact OE1-N 3.46Å; E297-H311 IonicContact OE1-ND1 2.81Å; E297-H311 PolarHBondContact OE1-ND1 2.78Å; E297-V323 HydrophobicContact CB-CG1 4.1Å; E297-V323 HydrophobicContact CG-CG1 3.93Å; E297-T324 CarbonylContact C-O 3.44Å; E297-T324 WeakPolarHBondContact CA-O 3.27Å; E297-T324 WeakPolarHBondContact CB-O 3.28Å; E297-T324 PolarHBondContact N-O 3.43Å
298	V	98.9	Very high	98.6	Very high	18 Å²	18	18.3 Å²	18.3	11%	0.109	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-36	175.7	165.1	0	0	0	0	111.4	D296 T324 K327	D296-V298 WeakPolarHBondContact OD1-CB 3.34Å; D296-V298 WeakPolarHBondContact OD1-CG2 3.36Å; D296-V298 PolarHBondContact OD1-N 3.45Å; V298-T324 PolarHBondContact N-O 3.33Å; V298-K327 HydrophobicContact CG1-CD 4.11Å; V298-K327 HydrophobicContact CG1-CG 4Å; V298-K327 WeakPolarHBondContact O-CB 3.4Å; V298-K327 WeakPolarHBondContact O-CD 3.49Å; V298-K327 WeakPolarHBondContact O-CG 2.91Å
299	Q	98.9	Very high	98.6	Very high	10 Å²	10	11.6 Å²	11.6	5%	0.047	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-29.9	-179.5	-159.6	168	152.3	0	0	114.7	A267 E297 K327 F409	A267-Q299 HydrophobicContact CB-CB 4.41Å; A267-Q299 HydrophobicContact CB-CG 4.19Å; A267-Q299 VanDerWaalsContact CB-NE2 3.27Å; E297-Q299 PolarHBondContact O-N 3.47Å; E297-Q299 VanDerWaalsContact O-N 3.16Å; Q299-K327 HydrophobicContact CB-CD 4.28Å; Q299-K327 HydrophobicContact CG-CD 4.14Å; Q299-F409 HydrophobicContact CG-CE2 4.16Å; Q299-F409 HydrophobicContact CG-CZ 4.27Å
300	T	98.9	Very high	98.7	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.012	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-12.2	-176.3	54.9	0	0	0	0	113.8	P264 V265 E297 V304 F409	P264-T300 HydrophobicContact CB-CG2 4.36Å; V265-T300 HydrophobicContact CB-CG2 4.1Å; V265-T300 HydrophobicContact CG2-CG2 4.33Å; E297-T300 VanDerWaalsContact OE2-C 3.24Å; E297-T300 WeakPolarHBondContact OE2-CB 3.42Å; E297-T300 PolarHBondContact OE2-OG1 3.14Å; T300-V304 WeakPolarHBondContact O-CG2 3.49Å; T300-F409 HydrophobicContact CG2-CE1 4.36Å; T300-F409 HydrophobicContact CG2-CE2 4.2Å; T300-F409 HydrophobicContact CG2-CZ 3.89Å
301	G	98.7	Very high	98.7	Very high	5 Å²	5	8.4 Å²	8.4	5%	0.052	4%	0.043	C	C	.	.			trans	-74.2	172.7	177.2	0	0	0	0	0	113.5	E297 M308	E297-G301 WeakPolarHBondContact O-CA 3.47Å; E297-G301 PolarHBondContact O-N 3.31Å; E297-G301 PolarHBondContact OE2-N 2.9Å; G301-M308 CarbonylContact C-O 3.56Å
302	C	98.6	Very high	98.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	47.9	-179	-162.7	0	0	0	0	113.7	V304 M308 K328 M329 L448	C302-V304 PolarHBondContact O-N 3.02Å; C302-M308 WeakPolarHBondContact CA-O 3.46Å; C302-M308 HydrophobicContact CB-CE 4.22Å; C302-M308 PolarHBondContact N-O 2.96Å; C302-K328 HydrophobicContact CB-CB 3.52Å; C302-K328 HydrophobicContact CB-CD 4.44Å; C302-M329 HydrophobicContact CB-CG 4.36Å; C302-M329 HydrophobicContact CB-SD 3.63Å; C302-L448 WeakPolarHBondContact O-CD1 3.47Å; C302-L448 WeakPolarHBondContact O-CD2 3.49Å
303	G	98.5	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-12.5	159.8	0	0	0	0	0	117.4	T305 G306 K307 M308 T378	G303-T305 PolarHBondContact O-N 3.4Å; G303-G306 PolarHBondContact O-N 2.81Å; G303-K307 CarbonylContact C-O 3.53Å; G303-K307 WeakPolarHBondContact CA-O 3.49Å; G303-K307 PolarHBondContact N-O 3.05Å; G303-M308 PolarHBondContact N-O 3.35Å; G303-M308 VanDerWaalsContact N-O 3.13Å; G303-T378 WeakPolarHBondContact O-CG2 3.49Å
304	V	98.6	Very high	98.6	Very high	2 Å²	2	12 Å²	12	1%	0.012	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.6	-168.4	-63.4	0	0	0	0	115.1	T300 C302 K328 T378 T408 F409 L448	T300-V304 WeakPolarHBondContact O-CG2 3.49Å; C302-V304 PolarHBondContact O-N 3.02Å; V304-K328 HydrophobicContact CG1-CD 3.51Å; V304-K328 VanDerWaalsContact CG1-CE 3.44Å; V304-T378 WeakPolarHBondContact O-CG2 3.39Å; V304-T408 PolarHBondContact O-N 3.43Å; V304-T408 VanDerWaalsContact O-N 3.12Å; V304-F409 HydrophobicContact CB-CD2 4.07Å; V304-F409 HydrophobicContact CG2-CD2 3.59Å; V304-F409 HydrophobicContact CG2-CE2 4.16Å; V304-F409 HydrophobicContact CG2-CG 4.45Å; V304-F409 PolarHBondContact O-N 2.82Å; V304-L448 HydrophobicContact CG1-CD2 4.24Å
305	T	98.7	Very high	98.5	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.012	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	14.7	176.1	61.6	0	0	0	0	113.1	W273 G303 K307 A310 H313 L406 F409	W273-T305 HydrophobicContact CH2-CG2 4.36Å; G303-T305 PolarHBondContact O-N 3.4Å; T305-K307 VanDerWaalsContact C-N 3.25Å; T305-K307 PolarHBondContact O-N 3.09Å; T305-A310 HydrophobicContact CG2-CB 3.78Å; T305-A310 WeakPolarHBondContact OG1-CA 3.24Å; T305-A310 WeakPolarHBondContact OG1-CB 3.13Å; T305-H313 PolarHBondContact O-NE2 2.87Å; T305-L406 WeakPolarHBondContact CA-O 3.33Å; T305-F409 HydrophobicContact CG2-CB 4.23Å
306	G	98.1	Very high	98.5	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	75.9	10.9	-175	0	0	0	0	0	114.4	G303 I375 Q379	G303-G306 PolarHBondContact O-N 2.81Å; G306-I375 VanDerWaalsContact C-CG2 3.49Å; G306-I375 WeakPolarHBondContact O-CG2 3.22Å; G306-Q379 VanDerWaalsContact CA-CG 3.43Å; G306-Q379 PolarHBondContact O-NE2 3.32Å
307	K	98.4	Very high	98.3	Very high	72 Å²	72	22.7 Å²	22.7	31%	0.313	13%	0.125	S	C	.	.	S	Bend	trans	-136.5	154.9	163.7	-73.1	-169.4	-176.1	-164.4	0	108.3	G303 T305 W309 S312 H313	G303-K307 CarbonylContact C-O 3.53Å; G303-K307 WeakPolarHBondContact CA-O 3.49Å; G303-K307 PolarHBondContact N-O 3.05Å; T305-K307 VanDerWaalsContact C-N 3.25Å; T305-K307 PolarHBondContact O-N 3.09Å; K307-W309 PolarHBondContact O-N 2.85Å; K307-S312 PolarHBondContact NZ-O 3.28Å; K307-H313 WeakPolarHBondContact CE-ND1 3.47Å
308	M	98.5	Very high	98.2	Very high	33 Å²	33	27.6 Å²	27.6	16%	0.163	15%	0.148	C	C	.	.	S	Bend	trans	-55.8	-40.1	-179.3	-170.9	60.8	-167.2	0	0	112.2	V120 G301 C302 G303 M329 L366	V120-M308 HydrophobicContact CB-CE 3.99Å; V120-M308 HydrophobicContact CB-CG 4Å; V120-M308 HydrophobicContact CG1-CE 4.12Å; V120-M308 HydrophobicContact CG1-CG 4.35Å; V120-M308 HydrophobicContact CG1-SD 4.4Å; V120-M308 HydrophobicContact CG2-CE 3.92Å; G301-M308 CarbonylContact C-O 3.56Å; C302-M308 WeakPolarHBondContact CA-O 3.46Å; C302-M308 HydrophobicContact CB-CE 4.22Å; C302-M308 PolarHBondContact N-O 2.96Å; G303-M308 PolarHBondContact N-O 3.35Å; G303-M308 VanDerWaalsContact N-O 3.13Å; M308-M329 HydrophobicContact CE-CE 3.98Å; M308-M329 HydrophobicContact CE-SD 3.67Å; M308-L366 HydrophobicContact CE-CD2 3.67Å
309	W	98.8	Very high	98.1	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.015	15%	0.153	C	C	.	.	S	Bend	trans	-124.6	131.7	172.9	-53.7	108.9	0	0	0	109.3	V120 P122 E297 K307 H311 S312 F325 M329 Y335	V120-W309 HydrophobicContact CG2-CZ2 4.43Å; V120-W309 PolarHBondContact O-NE1 3.4Å; P122-W309 HydrophobicContact CG-CD2 4.41Å; P122-W309 HydrophobicContact CG-CG 4.2Å; E297-W309 HydrophobicContact CB-CE3 3.9Å; E297-W309 HydrophobicContact CB-CZ3 4.21Å; E297-W309 HydrophobicContact CG-CE3 4.42Å; E297-W309 WeakPolarHBondContact OE1-CB 3.42Å; K307-W309 PolarHBondContact O-N 2.85Å; W309-H311 VanDerWaalsContact C-N 3.3Å; W309-H311 PolarHBondContact O-N 2.86Å; W309-S312 WeakPolarHBondContact O-CB 3.39Å; W309-S312 PolarHBondContact O-N 3.37Å; W309-S312 VanDerWaalsContact O-N 3.13Å; W309-S312 PolarHBondContact O-OG 3.19Å; W309-F325 HydrophobicContact CH2-CB 3.81Å; W309-F325 HydrophobicContact CH2-CD1 4.21Å; W309-F325 HydrophobicContact CH2-CG 4.08Å; W309-F325 HydrophobicContact CZ3-CB 3.75Å; W309-F325 HydrophobicContact CZ3-CG 4.49Å; W309-M329 HydrophobicContact CH2-CE 3.89Å; W309-M329 HydrophobicContact CH2-CG 4.12Å; W309-M329 HydrophobicContact CH2-SD 3.96Å; W309-M329 HydrophobicContact CZ2-CE 4.17Å; W309-Y335 AromaticContact CH2-CE2 3.85Å; W309-Y335 HydrophobicContact CH2-CE2 3.85Å; W309-Y335 HydrophobicContact CZ2-CD2 4.46Å; W309-Y335 AromaticContact CZ2-CE2 3.48Å; W309-Y335 HydrophobicContact CZ2-CE2 3.48Å; W309-Y335 VanDerWaalsContact CZ2-CE2 3.48Å
310	A	98.8	Very high	98.1	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.041	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-63.6	-34.5	-176.5	0	0	0	0	0	112.7	P264 E297 T305 S312 H313	P264-A310 HydrophobicContact CB-CB 3.84Å; P264-A310 HydrophobicContact CG-CB 4.21Å; E297-A310 VanDerWaalsContact CD-N 3.32Å; E297-A310 PolarHBondContact OE1-N 3.01Å; E297-A310 WeakPolarHBondContact OE2-CB 3.21Å; E297-A310 PolarHBondContact OE2-N 2.74Å; T305-A310 HydrophobicContact CG2-CB 3.78Å; T305-A310 WeakPolarHBondContact OG1-CA 3.24Å; T305-A310 WeakPolarHBondContact OG1-CB 3.13Å; A310-S312 PolarHBondContact O-N 3.5Å; A310-H313 WeakPolarHBondContact O-CB 3.38Å; A310-H313 PolarHBondContact O-CD2 3.48Å; A310-H313 PolarHBondContact O-N 2.9Å
311	H	98.7	Very high	98	Very high	12 Å²	12	28.1 Å²	28.1	6%	0.056	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-64.1	-15.9	178.2	78.4	-87.6	0	0	0	113.4	V295 E297 W309 H313 W314	V295-H311 HydrophobicContact CG1-CB 4.07Å; E297-H311 IonicContact OE1-CE1 3.55Å; E297-H311 IonicContact OE1-CG 3.68Å; E297-H311 PolarHBondContact OE1-N 3.46Å; E297-H311 IonicContact OE1-ND1 2.81Å; E297-H311 PolarHBondContact OE1-ND1 2.78Å; W309-H311 VanDerWaalsContact C-N 3.3Å; W309-H311 PolarHBondContact O-N 2.86Å; H311-H313 PolarHBondContact O-N 2.79Å; H311-H313 VanDerWaalsContact O-N 3.14Å; H311-W314 HydrophobicContact CB-CD2 3.73Å; H311-W314 HydrophobicContact CB-CE3 3.54Å; H311-W314 HydrophobicContact CB-CH2 3.78Å; H311-W314 HydrophobicContact CB-CZ2 3.95Å; H311-W314 HydrophobicContact CB-CZ3 3.57Å; H311-W314 VanDerWaalsContact O-CB 3.31Å; H311-W314 WeakPolarHBondContact O-CB 3.41Å; H311-W314 PolarHBondContact O-N 2.89Å
312	S	98.2	Very high	98	Very high	38 Å²	38	27.9 Å²	27.9	27%	0.266	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-65	-12	172.8	-60.8	0	0	0	0	112.7	K307 W309 A310 W314 N315	K307-S312 PolarHBondContact NZ-O 3.28Å; W309-S312 WeakPolarHBondContact O-CB 3.39Å; W309-S312 PolarHBondContact O-N 3.37Å; W309-S312 VanDerWaalsContact O-N 3.13Å; W309-S312 PolarHBondContact O-OG 3.19Å; A310-S312 PolarHBondContact O-N 3.5Å; S312-W314 VanDerWaalsContact C-N 3.34Å; S312-N315 PolarHBondContact O-OD1 2.81Å
313	H	98.2	Very high	98.1	Very high	36 Å²	36	27.9 Å²	27.9	17%	0.167	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-76.7	-21.5	170.1	-69.4	-67.3	0	0	0	113	N276 T305 K307 A310 H311 N315 L406	N276-H313 PolarHBondContact ND2-O 3.38Å; N276-H313 VanDerWaalsContact ND2-O 3.12Å; T305-H313 PolarHBondContact O-NE2 2.87Å; K307-H313 WeakPolarHBondContact CE-ND1 3.47Å; A310-H313 WeakPolarHBondContact O-CB 3.38Å; A310-H313 PolarHBondContact O-CD2 3.48Å; A310-H313 PolarHBondContact O-N 2.9Å; H311-H313 PolarHBondContact O-N 2.79Å; H311-H313 VanDerWaalsContact O-N 3.14Å; H313-N315 VanDerWaalsContact C-N 3.28Å; H313-N315 PolarHBondContact O-N 2.81Å; H313-L406 WeakPolarHBondContact NE2-CD2 3.21Å
314	W	98.1	Very high	98.1	Very high	6 Å²	6	27.9 Å²	27.9	2%	0.023	15%	0.15	C	C	.	.	S	Bend	trans	-74.9	-22	-174.1	-53.7	-15.9	0	0	0	113.1	V262 P264 F279 R280 V295 H311 S312 L316	V262-W314 HydrophobicContact CG1-CH2 4.48Å; P264-W314 HydrophobicContact CB-CH2 4.23Å; P264-W314 HydrophobicContact CB-CZ2 3.5Å; P264-W314 VanDerWaalsContact CB-CZ2 3.5Å; P264-W314 HydrophobicContact CG-CH2 4.02Å; P264-W314 HydrophobicContact CG-CZ2 3.78Å; F279-W314 HydrophobicContact CB-CB 4.37Å; F279-W314 HydrophobicContact CB-CD2 3.44Å; F279-W314 VanDerWaalsContact CB-CD2 3.44Å; F279-W314 HydrophobicContact CB-CE3 3.53Å; F279-W314 HydrophobicContact CB-CG 3.84Å; F279-W314 HydrophobicContact CB-CH2 4.29Å; F279-W314 HydrophobicContact CB-CZ2 4.2Å; F279-W314 HydrophobicContact CB-CZ3 3.97Å; F279-W314 HydrophobicContact CD1-CD2 4.26Å; F279-W314 AromaticContact CD1-CE2 3.85Å; F279-W314 HydrophobicContact CD1-CE3 4.24Å; F279-W314 AromaticContact CD1-CH2 3.42Å; F279-W314 HydrophobicContact CD1-CH2 3.42Å; F279-W314 VanDerWaalsContact CD1-CH2 3.42Å; F279-W314 AromaticContact CD1-CZ2 3.41Å; F279-W314 HydrophobicContact CD1-CZ2 3.41Å; F279-W314 VanDerWaalsContact CD1-CZ2 3.41Å; F279-W314 AromaticContact CD1-CZ3 3.86Å; F279-W314 HydrophobicContact CD1-CZ3 3.86Å; F279-W314 AromaticContact CD2-CD1 3.75Å; F279-W314 AromaticContact CD2-CD2 3.84Å; F279-W314 HydrophobicContact CD2-CD2 3.84Å; F279-W314 AromaticContact CD2-CE2 3.3Å; F279-W314 HydrophobicContact CD2-CG 4.09Å; F279-W314 HydrophobicContact CD2-CH2 4.41Å; F279-W314 AromaticContact CD2-CZ2 3.62Å; F279-W314 HydrophobicContact CD2-CZ2 3.62Å; F279-W314 AromaticContact CD2-NE1 3.25Å; F279-W314 VanDerWaalsContact CD2-NE1 3.25Å; F279-W314 AromaticContact CE1-CH2 3.7Å; F279-W314 HydrophobicContact CE1-CH2 3.7Å; F279-W314 AromaticContact CE1-CZ2 3.48Å; F279-W314 HydrophobicContact CE1-CZ2 3.48Å; F279-W314 VanDerWaalsContact CE1-CZ2 3.48Å; F279-W314 AromaticContact CE2-CE2 3.69Å; F279-W314 AromaticContact CE2-CZ2 3.68Å; F279-W314 HydrophobicContact CE2-CZ2 3.68Å; F279-W314 AromaticContact CE2-NE1 3.55Å; F279-W314 AromaticContact CG-CD2 3.6Å; F279-W314 HydrophobicContact CG-CD2 3.6Å; F279-W314 AromaticContact CG-CE2 3.37Å; F279-W314 AromaticContact CG-CE3 3.9Å; F279-W314 HydrophobicContact CG-CE3 3.9Å; F279-W314 HydrophobicContact CG-CG 4.18Å; F279-W314 AromaticContact CG-CH2 3.81Å; F279-W314 HydrophobicContact CG-CH2 3.81Å; F279-W314 AromaticContact CG-CZ2 3.47Å; F279-W314 HydrophobicContact CG-CZ2 3.47Å; F279-W314 VanDerWaalsContact CG-CZ2 3.47Å; F279-W314 HydrophobicContact CG-CZ3 4.01Å; F279-W314 AromaticContact CG-NE1 3.84Å; F279-W314 HydrophobicContact CZ-CH2 4.29Å; F279-W314 AromaticContact CZ-CZ2 3.6Å; F279-W314 HydrophobicContact CZ-CZ2 3.6Å; R280-W314 WeakPolarHBondContact CD-O 3.41Å; R280-W314 WeakPolarHBondContact CG-O 3.46Å; R280-W314 PolarHBondContact NH1-O 2.7Å; V295-W314 HydrophobicContact CG1-CH2 3.81Å; V295-W314 HydrophobicContact CG1-CZ3 4.2Å; V295-W314 HydrophobicContact CG2-CH2 4.22Å; V295-W314 HydrophobicContact CG2-CZ3 3.89Å; H311-W314 HydrophobicContact CB-CD2 3.73Å; H311-W314 HydrophobicContact CB-CE3 3.54Å; H311-W314 HydrophobicContact CB-CH2 3.78Å; H311-W314 HydrophobicContact CB-CZ2 3.95Å; H311-W314 HydrophobicContact CB-CZ3 3.57Å; H311-W314 VanDerWaalsContact O-CB 3.31Å; H311-W314 WeakPolarHBondContact O-CB 3.41Å; H311-W314 PolarHBondContact O-N 2.89Å; S312-W314 VanDerWaalsContact C-N 3.34Å; W314-L316 VanDerWaalsContact C-N 3.28Å; W314-L316 HydrophobicContact CB-CD2 4.22Å; W314-L316 HydrophobicContact CB-CG 4.09Å; W314-L316 HydrophobicContact CE3-CD1 3.83Å; W314-L316 HydrophobicContact CE3-CD2 4.07Å; W314-L316 HydrophobicContact CE3-CG 3.98Å; W314-L316 HydrophobicContact CZ3-CD1 4.36Å; W314-L316 PolarHBondContact O-N 2.85Å
315	N	96.4	Very high	98.1	Very high	114 Å²	114	27.8 Å²	27.8	61%	0.61	15%	0.149	S	C	*	.			trans	48.8	53.9	-172.7	-55.8	-40.7	0	0	0	110.2	S312 H313	S312-N315 PolarHBondContact O-OD1 2.81Å; H313-N315 VanDerWaalsContact C-N 3.28Å; H313-N315 PolarHBondContact O-N 2.81Å
316	L	97.5	Very high	98.1	Very high	29 Å²	29	28.4 Å²	28.4	15%	0.152	15%	0.154	C	C	.	.			trans	-57.5	142.9	177.8	-68.7	175.9	0	0	0	109.9	R280 Q283 L293 W314 Q318	R280-L316 HydrophobicContact CG-CD2 4.11Å; Q283-L316 HydrophobicContact CB-CD2 4.02Å; L293-L316 HydrophobicContact CD2-CD1 4.44Å; W314-L316 VanDerWaalsContact C-N 3.28Å; W314-L316 HydrophobicContact CB-CD2 4.22Å; W314-L316 HydrophobicContact CB-CG 4.09Å; W314-L316 HydrophobicContact CE3-CD1 3.83Å; W314-L316 HydrophobicContact CE3-CD2 4.07Å; W314-L316 HydrophobicContact CE3-CG 3.98Å; W314-L316 HydrophobicContact CZ3-CD1 4.36Å; W314-L316 PolarHBondContact O-N 2.85Å; L316-Q318 VanDerWaalsContact CB-O 3.22Å; L316-Q318 WeakPolarHBondContact CB-O 3.48Å; L316-Q318 PolarHBondContact O-N 2.94Å
317	P	95.5	Very high	98.1	Very high	87 Å²	87	30.4 Å²	30.4	57%	0.565	16%	0.162	S	C	*	.	S	Bend	trans	-64.5	-21.7	178.8	24.7	-32.6	0	0	0	112.9	Q283	Q283-P317 VanDerWaalsContact OE1-CD 3.27Å; Q283-P317 VanDerWaalsContact OE1-CG 3.28Å
318	Q	96	Very high	98.2	Very high	103 Å²	103	27.2 Å²	27.2	48%	0.481	15%	0.148	S	C	.	.	S	Bend	trans	-146	162.1	170.3	-49.7	172	14.2	0	0	109.1	Q283 K287 L316	Q283-Q318 PolarHBondContact NE2-O 3.04Å; Q283-Q318 PolarHBondContact OE1-O 3.05Å; K287-Q318 VanDerWaalsContact NZ-CB 3.29Å; L316-Q318 VanDerWaalsContact CB-O 3.22Å; L316-Q318 WeakPolarHBondContact CB-O 3.48Å; L316-Q318 PolarHBondContact O-N 2.94Å
319	P	97.2	Very high	98.2	Very high	34 Å²	34	25.7 Å²	25.7	22%	0.221	14%	0.141	C	C	.	.			trans	-54.8	149.4	172	20.1	-33.1	0	0	0	112.6	Q123 M125 Q283 K337	Q123-P319 WeakPolarHBondContact O-CB 3.4Å; M125-P319 HydrophobicContact CG-CB 3.98Å; Q283-P319 PolarHBondContact NE2-O 2.9Å; P319-K337 HydrophobicContact CG-CD 4.26Å; P319-K337 HydrophobicContact CG-CG 4.37Å
320	P	98.5	Very high	98.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	15%	0.152	C	C	.	.			trans	-62.3	161.4	164.3	31.2	-35.7	0	0	0	110.6	M125 L293 V295 V323	M125-P320 HydrophobicContact SD-CG 4.41Å; L293-P320 HydrophobicContact CB-CB 4.27Å; L293-P320 HydrophobicContact CD2-CB 4.08Å; L293-P320 HydrophobicContact CG-CB 4.15Å; V295-P320 HydrophobicContact CG2-CB 3.66Å; V295-P320 HydrophobicContact CG2-CG 3.95Å; P320-V323 HydrophobicContact CB-CG2 4.45Å; P320-V323 HydrophobicContact CG-CG2 3.4Å; P320-V323 VanDerWaalsContact CG-CG2 3.4Å
321	E	98.5	Very high	98.1	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.033	15%	0.151	C	C	.	.	S	Bend	trans	-68.4	-39.6	178.5	-81.7	62.1	-128.9	0	0	112.6	W148 A292 L293 Y336 K337 L340	W148-E321 HydrophobicContact CH2-CG 4.42Å; W148-E321 HydrophobicContact CZ2-CG 4.18Å; A292-E321 HydrophobicContact CB-CB 3.85Å; A292-E321 HydrophobicContact CB-CG 4.12Å; L293-E321 PolarHBondContact N-OE2 3.19Å; L293-E321 PolarHBondContact O-N 2.72Å; L293-E321 VanDerWaalsContact O-N 3.1Å; E321-Y336 WeakPolarHBondContact O-CA 3.33Å; E321-K337 HydrophobicContact CG-CD 4.29Å; E321-K337 PolarHBondContact O-N 3.06Å; E321-K337 VanDerWaalsContact O-N 3.08Å; E321-K337 IonicContact OE1-NZ 2.9Å; E321-K337 PolarHBondContact OE1-NZ 3.31Å; E321-L340 HydrophobicContact CB-CD1 3.98Å; E321-L340 HydrophobicContact CB-CD2 4.04Å; E321-L340 HydrophobicContact CG-CD1 3.88Å
322	I	98.9	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.4	179.8	-56.8	179.8	0	0	0	110.1	A141 T144 A145 L293 I294 V295 T324 Y334 Y335 L340	A141-I322 HydrophobicContact CB-CD1 4.1Å; A141-I322 HydrophobicContact CB-CG2 3.76Å; A141-I322 VanDerWaalsContact O-CD1 3.32Å; A141-I322 WeakPolarHBondContact O-CD1 3.49Å; T144-I322 HydrophobicContact CG2-CD1 4.3Å; A145-I322 HydrophobicContact CB-CD1 4.34Å; L293-I322 PolarHBondContact O-N 3.06Å; I294-I322 WeakPolarHBondContact CA-O 3.47Å; I294-I322 HydrophobicContact CB-CB 4.47Å; I294-I322 HydrophobicContact CD1-CD1 4.47Å; I294-I322 HydrophobicContact CG1-CB 4.25Å; I294-I322 HydrophobicContact CG1-CD1 4.3Å; I294-I322 HydrophobicContact CG2-CB 4.19Å; I294-I322 HydrophobicContact CG2-CG2 4.18Å; V295-I322 PolarHBondContact N-O 3.34Å; I322-T324 HydrophobicContact CG2-CG2 4.12Å; I322-Y334 HydrophobicContact CG2-CD2 3.86Å; I322-Y334 HydrophobicContact CG2-CG 4.22Å; I322-Y335 VanDerWaalsContact CA-O 3.32Å; I322-Y335 WeakPolarHBondContact CA-O 3.06Å; I322-Y335 WeakPolarHBondContact CG2-O 3.35Å; I322-L340 HydrophobicContact CD1-CD2 3.68Å; I322-L340 HydrophobicContact CG1-CD2 3.53Å
323	V	99	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.9	168.4	-177.4	0	0	0	0	109.1	P122 M125 V295 E297 P320 Y334 Y335	P122-V323 HydrophobicContact CG-CB 4.19Å; P122-V323 HydrophobicContact CG-CG1 4.28Å; P122-V323 HydrophobicContact CG-CG2 4.09Å; M125-V323 HydrophobicContact CE-CG2 4.13Å; M125-V323 HydrophobicContact SD-CB 4.24Å; M125-V323 HydrophobicContact SD-CG2 3.56Å; M125-V323 VanDerWaalsContact SD-CG2 3.56Å; V295-V323 HydrophobicContact CB-CG2 4.31Å; V295-V323 CarbonylContact O-C 3.58Å; V295-V323 VanDerWaalsContact O-CA 3.32Å; V295-V323 WeakPolarHBondContact O-CA 3.43Å; E297-V323 HydrophobicContact CB-CG1 4.1Å; E297-V323 HydrophobicContact CG-CG1 3.93Å; P320-V323 HydrophobicContact CB-CG2 4.45Å; P320-V323 HydrophobicContact CG-CG2 3.4Å; P320-V323 VanDerWaalsContact CG-CG2 3.4Å; V323-Y334 CarbonylContact O-C 3.49Å; V323-Y334 WeakPolarHBondContact O-CA 3.19Å; V323-Y334 WeakPolarHBondContact O-CB 3.23Å; V323-Y335 PolarHBondContact N-O 3.19Å; V323-Y335 PolarHBondContact O-N 2.98Å
324	T	99	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	150.4	178.9	59.1	0	0	0	0	111.3	N138 A141 I294 V295 D296 E297 V298 I322 G333	N138-T324 VanDerWaalsContact OD1-CB 3.23Å; N138-T324 WeakPolarHBondContact OD1-CB 3.34Å; N138-T324 WeakPolarHBondContact OD1-CG2 3.29Å; N138-T324 PolarHBondContact OD1-OG1 3.33Å; A141-T324 HydrophobicContact CB-CG2 3.61Å; I294-T324 HydrophobicContact CG2-CG2 4.47Å; V295-T324 PolarHBondContact O-N 2.84Å; D296-T324 WeakPolarHBondContact CA-OG1 3.29Å; E297-T324 CarbonylContact C-O 3.44Å; E297-T324 WeakPolarHBondContact CA-O 3.27Å; E297-T324 WeakPolarHBondContact CB-O 3.28Å; E297-T324 PolarHBondContact N-O 3.43Å; V298-T324 PolarHBondContact N-O 3.33Å; I322-T324 HydrophobicContact CG2-CG2 4.12Å; T324-G333 WeakPolarHBondContact CA-O 3.12Å
325	F	98.9	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159.5	-179.2	60.4	-95.7	0	0	0	111.6	L117 V128 S137 W309 M329 G332 G333 Y335	L117-F325 HydrophobicContact CD1-CZ 4.15Å; L117-F325 HydrophobicContact CD2-CE2 3.72Å; L117-F325 HydrophobicContact CD2-CZ 3.74Å; V128-F325 HydrophobicContact CG2-CE1 3.92Å; V128-F325 HydrophobicContact CG2-CZ 3.84Å; S137-F325 PolarHBondContact OG-O 2.8Å; W309-F325 HydrophobicContact CH2-CB 3.81Å; W309-F325 HydrophobicContact CH2-CD1 4.21Å; W309-F325 HydrophobicContact CH2-CG 4.08Å; W309-F325 HydrophobicContact CZ3-CB 3.75Å; W309-F325 HydrophobicContact CZ3-CG 4.49Å; F325-M329 HydrophobicContact CB-CG 4.05Å; F325-M329 HydrophobicContact CD2-CB 3.8Å; F325-M329 HydrophobicContact CD2-CG 3.91Å; F325-M329 HydrophobicContact CE2-CB 4.48Å; F325-M329 HydrophobicContact CG-CG 4.27Å; F325-G332 WeakPolarHBondContact O-CA 3.4Å; F325-G333 WeakPolarHBondContact CD1-O 3.39Å; F325-G333 VanDerWaalsContact CE1-C 3.41Å; F325-G333 VanDerWaalsContact CZ-CA 3.46Å; F325-G333 PolarHBondContact N-O 3.17Å; F325-G333 PolarHBondContact O-N 2.96Å; F325-G333 VanDerWaalsContact O-N 3.08Å; F325-Y335 AromaticContact CD1-CD2 3.69Å; F325-Y335 HydrophobicContact CD1-CD2 3.69Å; F325-Y335 AromaticContact CD1-CE2 3.4Å; F325-Y335 HydrophobicContact CD1-CE2 3.4Å; F325-Y335 VanDerWaalsContact CD1-CE2 3.4Å; F325-Y335 AromaticContact CE1-CD2 3.61Å; F325-Y335 HydrophobicContact CE1-CD2 3.61Å; F325-Y335 AromaticContact CE1-CE2 3.28Å; F325-Y335 HydrophobicContact CE1-CE2 3.28Å; F325-Y335 HydrophobicContact CE1-CG 4.37Å; F325-Y335 AromaticContact CE1-CZ 3.85Å; F325-Y335 HydrophobicContact CG-CE2 4.44Å; F325-Y335 HydrophobicContact CZ-CE2 4.26Å
326	S	98.9	Very high	98.3	Very high	15 Å²	15	18.8 Å²	18.8	11%	0.105	10%	0.101	C	C	.	.			trans	-168.4	-140.7	169.8	-169.2	0	0	0	0	109.5	G134 K328 M329 L331	G134-S326 VanDerWaalsContact N-CB 3.34Å; G134-S326 PolarHBondContact N-OG 3.16Å; S326-K328 PolarHBondContact O-N 2.87Å; S326-M329 WeakPolarHBondContact O-CB 3.38Å; S326-M329 PolarHBondContact O-N 2.81Å; S326-L331 WeakPolarHBondContact CA-O 3.27Å
327	K	98.8	Very high	98.3	Very high	43 Å²	43	19.2 Å²	19.2	19%	0.187	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	45.7	-106.6	174.3	-67.8	-175.7	166.5	127.6	0	113	I70 V298 Q299 M329 L330	I70-K327 WeakPolarHBondContact O-CD 3.18Å; I70-K327 VanDerWaalsContact O-CE 3.28Å; I70-K327 WeakPolarHBondContact O-CE 3.45Å; V298-K327 HydrophobicContact CG1-CD 4.11Å; V298-K327 HydrophobicContact CG1-CG 4Å; V298-K327 WeakPolarHBondContact O-CB 3.4Å; V298-K327 WeakPolarHBondContact O-CD 3.49Å; V298-K327 WeakPolarHBondContact O-CG 2.91Å; Q299-K327 HydrophobicContact CB-CD 4.28Å; Q299-K327 HydrophobicContact CG-CD 4.14Å; K327-M329 PolarHBondContact O-N 2.78Å; K327-M329 VanDerWaalsContact O-N 3.08Å; K327-L330 WeakPolarHBondContact O-CA 3.36Å; K327-L330 PolarHBondContact O-N 3.32Å
328	K	98.8	Very high	98.4	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.017	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-59.5	-20.1	-179.2	-82.6	176.8	162.4	63.7	0	113.8	S71 I73 P74 C302 V304 S326 L330 P446	S71-K328 WeakPolarHBondContact O-CG 3.38Å; S71-K328 PolarHBondContact O-NZ 2.84Å; S71-K328 PolarHBondContact OG-NZ 3.3Å; I73-K328 PolarHBondContact O-NZ 3.49Å; P74-K328 HydrophobicContact CB-CB 4.1Å; P74-K328 HydrophobicContact CB-CG 4.09Å; C302-K328 HydrophobicContact CB-CB 3.52Å; C302-K328 HydrophobicContact CB-CD 4.44Å; V304-K328 HydrophobicContact CG1-CD 3.51Å; V304-K328 VanDerWaalsContact CG1-CE 3.44Å; S326-K328 PolarHBondContact O-N 2.87Å; K328-L330 PolarHBondContact O-N 2.72Å; K328-P446 PolarHBondContact NZ-O 3.05Å
329	M	98.8	Very high	98.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-76.6	-2.3	171.2	-58.2	-58.9	-70.9	0	0	113.4	L117 V120 C302 M308 W309 F325 S326 K327 L331 L362	L117-M329 HydrophobicContact CD2-CE 3.92Å; V120-M329 HydrophobicContact CG2-CE 4.08Å; C302-M329 HydrophobicContact CB-CG 4.36Å; C302-M329 HydrophobicContact CB-SD 3.63Å; M308-M329 HydrophobicContact CE-CE 3.98Å; M308-M329 HydrophobicContact CE-SD 3.67Å; W309-M329 HydrophobicContact CH2-CE 3.89Å; W309-M329 HydrophobicContact CH2-CG 4.12Å; W309-M329 HydrophobicContact CH2-SD 3.96Å; W309-M329 HydrophobicContact CZ2-CE 4.17Å; F325-M329 HydrophobicContact CB-CG 4.05Å; F325-M329 HydrophobicContact CD2-CB 3.8Å; F325-M329 HydrophobicContact CD2-CG 3.91Å; F325-M329 HydrophobicContact CE2-CB 4.48Å; F325-M329 HydrophobicContact CG-CG 4.27Å; S326-M329 WeakPolarHBondContact O-CB 3.38Å; S326-M329 PolarHBondContact O-N 2.81Å; K327-M329 PolarHBondContact O-N 2.78Å; K327-M329 VanDerWaalsContact O-N 3.08Å; M329-L331 WeakPolarHBondContact O-CD2 3.42Å; M329-L331 PolarHBondContact O-N 3.4Å; M329-L362 HydrophobicContact CE-CD1 4.19Å; M329-L362 HydrophobicContact CE-CD2 4.02Å; M329-L362 WeakPolarHBondContact O-CD1 3.41Å; M329-L362 WeakPolarHBondContact O-CD2 3.19Å; M329-L362 HydrophobicContact SD-CD1 4.38Å
330	L	98.5	Very high	98.3	Very high	47 Å²	47	16.2 Å²	16.2	25%	0.246	9%	0.088	C	C	.	.	S	Bend	trans	64.6	-22.5	178.7	-52.4	-175.3	0	0	0	117.1	P74 K327 K328 K358 L361 L362 V365	P74-L330 HydrophobicContact CG-CD2 4.07Å; K327-L330 WeakPolarHBondContact O-CA 3.36Å; K327-L330 PolarHBondContact O-N 3.32Å; K328-L330 PolarHBondContact O-N 2.72Å; L330-K358 HydrophobicContact CB-CB 4.36Å; L330-L361 HydrophobicContact CD1-CB 3.58Å; L330-L362 HydrophobicContact CD1-CB 4.46Å; L330-V365 HydrophobicContact CD1-CG2 3.92Å
331	L	98.3	Very high	98.2	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.11	C	C	.	.	S	Bend	trans	-130	160.3	168.4	74.8	175.9	0	0	0	110.2	L117 T130 S326 M329 K358 L359 L362	L117-L331 HydrophobicContact CD2-CD2 4.37Å; T130-L331 HydrophobicContact CG2-CD1 3.96Å; S326-L331 WeakPolarHBondContact CA-O 3.27Å; M329-L331 WeakPolarHBondContact O-CD2 3.42Å; M329-L331 PolarHBondContact O-N 3.4Å; L331-K358 HydrophobicContact CB-CB 4.02Å; L331-L359 HydrophobicContact CD1-CD1 4.34Å; L331-L362 HydrophobicContact CD2-CD2 3.67Å
332	G	98.8	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	165.1	170	0	0	0	0	0	112.5	M131 M132 S137 F325	M131-G332 CarbonylContact C-O 3.59Å; M131-G332 PolarHBondContact N-O 3.01Å; M131-G332 CarbonylContact O-C 3.51Å; M131-G332 VanDerWaalsContact O-C 3.32Å; M131-G332 VanDerWaalsContact O-CA 3.24Å; M131-G332 WeakPolarHBondContact O-CA 3.44Å; M131-G332 PolarHBondContact O-N 3.3Å; M132-G332 PolarHBondContact O-N 3.21Å; S137-G332 WeakPolarHBondContact OG-CA 3.36Å; F325-G332 WeakPolarHBondContact O-CA 3.4Å
333	G	98.8	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-175.5	165.7	0	0	0	0	0	111.5	M129 S137 T324 F325	M129-G333 CarbonylContact O-C 3.49Å; M129-G333 WeakPolarHBondContact O-CA 3.35Å; S137-G333 WeakPolarHBondContact CB-O 3.49Å; S137-G333 PolarHBondContact OG-N 3.11Å; S137-G333 PolarHBondContact OG-O 3.12Å; T324-G333 WeakPolarHBondContact CA-O 3.12Å; F325-G333 WeakPolarHBondContact CD1-O 3.39Å; F325-G333 VanDerWaalsContact CE1-C 3.41Å; F325-G333 VanDerWaalsContact CZ-CA 3.46Å; F325-G333 PolarHBondContact N-O 3.17Å; F325-G333 PolarHBondContact O-N 2.96Å; F325-G333 VanDerWaalsContact O-N 3.08Å
334	Y	98.9	Very high	97.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	140.1	171.1	61.9	-83.2	0	0	0	111.6	V128 M129 M131 N140 A141 T144 I322 V323 Y336 I348	V128-Y334 WeakPolarHBondContact CA-O 3.33Å; M129-Y334 HydrophobicContact CB-CD1 4.16Å; M129-Y334 HydrophobicContact CB-CE1 3.61Å; M129-Y334 HydrophobicContact CB-CE2 4.21Å; M129-Y334 HydrophobicContact CG-CE1 4.01Å; M129-Y334 PolarHBondContact N-O 3.39Å; M129-Y334 PolarHBondContact O-N 3.08Å; M131-Y334 HydrophobicContact CE-CE1 4.18Å; N140-Y334 HydrophobicContact CB-CE1 3.74Å; A141-Y334 HydrophobicContact CB-CG 4.47Å; T144-Y334 HydrophobicContact CG2-CE2 4.32Å; T144-Y334 PolarHBondContact OG1-OH 2.87Å; I322-Y334 HydrophobicContact CG2-CD2 3.86Å; I322-Y334 HydrophobicContact CG2-CG 4.22Å; V323-Y334 CarbonylContact O-C 3.49Å; V323-Y334 WeakPolarHBondContact O-CA 3.19Å; V323-Y334 WeakPolarHBondContact O-CB 3.23Å; Y334-Y336 AromaticContact CD2-CD1 3.76Å; Y334-Y336 HydrophobicContact CD2-CD1 3.76Å; Y334-Y336 HydrophobicContact CD2-CG 4.41Å; Y334-Y336 AromaticContact CE2-CD1 3.58Å; Y334-Y336 HydrophobicContact CE2-CD1 3.58Å; Y334-Y336 HydrophobicContact CE2-CE1 4.19Å; Y334-Y336 HydrophobicContact CE2-CG 4.22Å; Y334-I348 VanDerWaalsContact OH-CG2 3.22Å; Y334-I348 WeakPolarHBondContact OH-CG2 3.11Å
335	Y	98.9	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	149.1	165.6	-58.3	-85.2	0	0	0	109.3	L117 L118 A121 P122 M125 N127 V128 W309 I322 V323 F325	L117-Y335 WeakPolarHBondContact O-CE1 3.4Å; L117-Y335 PolarHBondContact O-OH 2.98Å; L118-Y335 HydrophobicContact CD2-CE1 4.37Å; A121-Y335 HydrophobicContact CB-CD1 3.93Å; A121-Y335 HydrophobicContact CB-CE1 3.69Å; P122-Y335 VanDerWaalsContact CD-CD2 3.5Å; P122-Y335 HydrophobicContact CG-CD2 3.99Å; P122-Y335 HydrophobicContact CG-CE2 4.49Å; P122-Y335 HydrophobicContact CG-CG 4.29Å; M125-Y335 WeakPolarHBondContact CE-O 3.12Å; N127-Y335 WeakPolarHBondContact O-CA 3.48Å; V128-Y335 HydrophobicContact CB-CD1 3.79Å; V128-Y335 HydrophobicContact CB-CE1 3.94Å; V128-Y335 HydrophobicContact CG2-CD1 3.94Å; V128-Y335 HydrophobicContact CG2-CE1 3.86Å; V128-Y335 HydrophobicContact CG2-CG 4.48Å; W309-Y335 AromaticContact CH2-CE2 3.85Å; W309-Y335 HydrophobicContact CH2-CE2 3.85Å; W309-Y335 HydrophobicContact CZ2-CD2 4.46Å; W309-Y335 AromaticContact CZ2-CE2 3.48Å; W309-Y335 HydrophobicContact CZ2-CE2 3.48Å; W309-Y335 VanDerWaalsContact CZ2-CE2 3.48Å; I322-Y335 VanDerWaalsContact CA-O 3.32Å; I322-Y335 WeakPolarHBondContact CA-O 3.06Å; I322-Y335 WeakPolarHBondContact CG2-O 3.35Å; V323-Y335 PolarHBondContact N-O 3.19Å; V323-Y335 PolarHBondContact O-N 2.98Å; F325-Y335 AromaticContact CD1-CD2 3.69Å; F325-Y335 HydrophobicContact CD1-CD2 3.69Å; F325-Y335 AromaticContact CD1-CE2 3.4Å; F325-Y335 HydrophobicContact CD1-CE2 3.4Å; F325-Y335 VanDerWaalsContact CD1-CE2 3.4Å; F325-Y335 AromaticContact CE1-CD2 3.61Å; F325-Y335 HydrophobicContact CE1-CD2 3.61Å; F325-Y335 AromaticContact CE1-CE2 3.28Å; F325-Y335 HydrophobicContact CE1-CE2 3.28Å; F325-Y335 HydrophobicContact CE1-CG 4.37Å; F325-Y335 AromaticContact CE1-CZ 3.85Å; F325-Y335 HydrophobicContact CG-CE2 4.44Å; F325-Y335 HydrophobicContact CZ-CE2 4.26Å
336	Y	98.6	Very high	97	Very high	16 Å²	16	45 Å²	45	6%	0.063	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	150.9	176.6	58.2	-84.6	0	0	0	112.4	M125 N127 M129 E321 Y334 L340 H341	M125-Y336 VanDerWaalsContact CE-CA 3.45Å; N127-Y336 HydrophobicContact CB-CD1 4.09Å; N127-Y336 HydrophobicContact CB-CD2 3.78Å; N127-Y336 HydrophobicContact CB-CE1 3.72Å; N127-Y336 HydrophobicContact CB-CE2 3.35Å; N127-Y336 HydrophobicContact CB-CG 4.13Å; N127-Y336 PolarHBondContact ND2-O 3.12Å; N127-Y336 PolarHBondContact O-N 3.36Å; N127-Y336 VanDerWaalsContact O-N 3.07Å; M129-Y336 HydrophobicContact CB-CE1 4.2Å; E321-Y336 WeakPolarHBondContact O-CA 3.33Å; Y334-Y336 AromaticContact CD2-CD1 3.76Å; Y334-Y336 HydrophobicContact CD2-CD1 3.76Å; Y334-Y336 HydrophobicContact CD2-CG 4.41Å; Y334-Y336 AromaticContact CE2-CD1 3.58Å; Y334-Y336 HydrophobicContact CE2-CD1 3.58Å; Y334-Y336 HydrophobicContact CE2-CE1 4.19Å; Y334-Y336 HydrophobicContact CE2-CG 4.22Å; Y336-L340 HydrophobicContact CD2-CB 4.16Å; Y336-H341 HydrophobicContact CE2-CB 3.95Å; Y336-H341 AromaticContact CE2-ND1 3.84Å; Y336-H341 AromaticContact CZ-ND1 3.97Å; Y336-H341 PolarHBondContact OH-ND1 3.37Å
337	K	97.7	Very high	97	Very high	38 Å²	38	48.7 Å²	48.7	17%	0.165	24%	0.242	C	C	.	.			trans	-65.5	151.1	172.7	-73	173	51.2	-176.1	0	111	P319 E321 D339 L340	P319-K337 HydrophobicContact CG-CD 4.26Å; P319-K337 HydrophobicContact CG-CG 4.37Å; E321-K337 HydrophobicContact CG-CD 4.29Å; E321-K337 PolarHBondContact O-N 3.06Å; E321-K337 VanDerWaalsContact O-N 3.08Å; E321-K337 IonicContact OE1-NZ 2.9Å; E321-K337 PolarHBondContact OE1-NZ 3.31Å; K337-D339 WeakPolarHBondContact CB-OD1 3.4Å; K337-D339 PolarHBondContact O-N 2.97Å; K337-L340 HydrophobicContact CB-CD1 4.04Å; K337-L340 WeakPolarHBondContact O-CB 3.45Å; K337-L340 PolarHBondContact O-N 3.14Å
338	S	96.2	Very high	96.9	Very high	75 Å²	75	47.2 Å²	47.2	52%	0.524	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-61	-27.9	-174.3	-56.7	0	0	0	0	114.4	N127 L340 H341	N127-S338 VanDerWaalsContact ND2-CA 3.29Å; N127-S338 WeakPolarHBondContact ND2-CA 3.49Å; N127-S338 PolarHBondContact ND2-N 3Å; N127-S338 PolarHBondContact ND2-OG 3.39Å; N127-S338 VanDerWaalsContact ND2-OG 3.12Å; S338-L340 PolarHBondContact O-N 3.48Å; S338-H341 VanDerWaalsContact O-CB 3.29Å; S338-H341 WeakPolarHBondContact O-CB 3.32Å; S338-H341 PolarHBondContact O-N 3.39Å
339	D	95	Very high	96.9	Very high	84 Å²	84	49.9 Å²	49.9	45%	0.449	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-70.9	-16.9	176	66.2	-53.3	0	0	0	113.3	W148 K337 H341	W148-D339 VanDerWaalsContact CD1-O 3.29Å; W148-D339 PolarHBondContact NE1-OD2 3.12Å; K337-D339 WeakPolarHBondContact CB-OD1 3.4Å; K337-D339 PolarHBondContact O-N 2.97Å; D339-H341 VanDerWaalsContact C-N 3.35Å
340	L	97.2	Very high	96.8	Very high	3 Å²	3	52 Å²	52	2%	0.016	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-87.3	-0.9	173.5	-78.3	85.6	0	0	0	113.3	T144 W148 E321 I322 Y336 K337 S338 V342	T144-L340 HydrophobicContact CG2-CB 4.05Å; T144-L340 HydrophobicContact CG2-CD2 4.23Å; T144-L340 WeakPolarHBondContact CG2-O 3.44Å; W148-L340 HydrophobicContact CB-CG 4.14Å; W148-L340 HydrophobicContact CD2-CD1 4.44Å; W148-L340 HydrophobicContact CD2-CG 4.15Å; W148-L340 HydrophobicContact CG-CD1 4.39Å; W148-L340 HydrophobicContact CG-CD2 4.48Å; W148-L340 HydrophobicContact CG-CG 3.77Å; W148-L340 HydrophobicContact CZ2-CD1 4.25Å; E321-L340 HydrophobicContact CB-CD1 3.98Å; E321-L340 HydrophobicContact CB-CD2 4.04Å; E321-L340 HydrophobicContact CG-CD1 3.88Å; I322-L340 HydrophobicContact CD1-CD2 3.68Å; I322-L340 HydrophobicContact CG1-CD2 3.53Å; Y336-L340 HydrophobicContact CD2-CB 4.16Å; K337-L340 HydrophobicContact CB-CD1 4.04Å; K337-L340 WeakPolarHBondContact O-CB 3.45Å; K337-L340 PolarHBondContact O-N 3.14Å; S338-L340 PolarHBondContact O-N 3.48Å; L340-V342 PolarHBondContact O-N 2.88Å; L340-V342 VanDerWaalsContact O-N 3.16Å
341	H	96	Very high	96.8	Very high	100 Å²	100	54.4 Å²	54.4	46%	0.463	28%	0.275	S	S	.	.			trans	-62.6	118.2	179.8	-173.7	77.4	0	0	0	111.4	Y336 S338 D339 K343	Y336-H341 HydrophobicContact CE2-CB 3.95Å; Y336-H341 AromaticContact CE2-ND1 3.84Å; Y336-H341 AromaticContact CZ-ND1 3.97Å; Y336-H341 PolarHBondContact OH-ND1 3.37Å; S338-H341 VanDerWaalsContact O-CB 3.29Å; S338-H341 WeakPolarHBondContact O-CB 3.32Å; S338-H341 PolarHBondContact O-N 3.39Å; D339-H341 VanDerWaalsContact C-N 3.35Å; H341-K343 PolarHBondContact O-N 2.93Å
342	V	95.6	Very high	96.8	Very high	26 Å²	26	59.7 Å²	59.7	16%	0.158	30%	0.295	C	S	.	.			trans	-78.2	113	178.5	-178.5	0	0	0	0	109	T144 I147 L340 R347 I348	T144-V342 HydrophobicContact CG2-CG2 4.38Å; I147-V342 HydrophobicContact CB-CG2 4.35Å; I147-V342 HydrophobicContact CD1-CG1 4.26Å; I147-V342 HydrophobicContact CD1-CG2 4.17Å; I147-V342 HydrophobicContact CG2-CG1 4.16Å; I147-V342 HydrophobicContact CG2-CG2 3.95Å; L340-V342 PolarHBondContact O-N 2.88Å; L340-V342 VanDerWaalsContact O-N 3.16Å; V342-R347 HydrophobicContact CG1-CB 3.9Å; V342-R347 HydrophobicContact CG1-CG 4.33Å; V342-I348 HydrophobicContact CB-CG1 4.39Å; V342-I348 HydrophobicContact CG2-CG1 3.97Å
343	K	91.6	Very high	96.7	Very high	181 Å²	181	60.1 Å²	60.1	79%	0.787	30%	0.297	S	S	*	.			trans	-72.4	-34.1	-172.7	-62	-178.7	-178.5	177.9	0	113.5	H341	H341-K343 PolarHBondContact O-N 2.93Å
344	Q	92.8	Very high	96.7	Very high	65 Å²	65	60.2 Å²	60.2	30%	0.304	30%	0.298	S	S	.	.	S	Bend	trans	-83.2	128.5	-179.6	-58	83.6	1.2	0	0	110.4	E158 R347	E158-Q344 PolarHBondContact OE1-NE2 3.17Å; E158-Q344 PolarHBondContact OE2-NE2 2.99Å; Q344-R347 HydrophobicContact CB-CG 4.08Å
345	G	93.3	Very high	96.6	Very high	57 Å²	57	60.8 Å²	60.8	59%	0.588	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	164.8	170.8	0	0	0	0	0	112.5	R347	G345-R347 PolarHBondContact O-N 3.39Å
346	Y	96.5	Very high	96.5	Very high	182 Å²	182	60.9 Å²	60.9	71%	0.714	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	1.4	175.9	-55.8	-75	0	0	0	117.3	F349	Y346-F349 HydrophobicContact CD1-CD1 4.42Å; Y346-F349 HydrophobicContact CD1-CD2 4.21Å; Y346-F349 HydrophobicContact CD1-CE2 4.27Å; Y346-F349 HydrophobicContact CD1-CG 4.28Å; Y346-F349 HydrophobicContact CD1-CZ 4.44Å; Y346-F349 HydrophobicContact CE1-CE2 4.24Å; Y346-F349 HydrophobicContact CE1-CZ 4.29Å
347	R	97.1	Very high	96.4	Very high	94 Å²	94	60.4 Å²	60.4	36%	0.355	30%	0.301	S	S	.	.	S	Bend	trans	-82.8	-44.8	176	-59.6	-162.8	70.8	-172.6	6	113.2	K143 I147 V342 Q344 G345	K143-R347 PolarHBondContact NZ-O 2.75Å; I147-R347 HydrophobicContact CD1-CB 4.08Å; I147-R347 VanDerWaalsContact CG2-NH1 3.34Å; V342-R347 HydrophobicContact CG1-CB 3.9Å; V342-R347 HydrophobicContact CG1-CG 4.33Å; Q344-R347 HydrophobicContact CB-CG 4.08Å; G345-R347 PolarHBondContact O-N 3.39Å
348	I	98	Very high	96.3	Very high	12 Å²	12	62 Å²	62	6%	0.062	31%	0.308	C	S	.	.	S	Bend	trans	-106.8	95.7	169.4	-55.4	-57.1	0	0	0	106.6	M129 M131 N140 K143 I147 Y334 V342 M353	M129-I348 HydrophobicContact CE-CB 4.04Å; M129-I348 HydrophobicContact CE-CG2 3.68Å; M129-I348 HydrophobicContact CG-CG2 4.09Å; M131-I348 HydrophobicContact CE-CG2 3.94Å; N140-I348 HydrophobicContact CB-CG2 4.23Å; K143-I348 HydrophobicContact CB-CD1 3.72Å; I147-I348 HydrophobicContact CD1-CD1 4.15Å; Y334-I348 VanDerWaalsContact OH-CG2 3.22Å; Y334-I348 WeakPolarHBondContact OH-CG2 3.11Å; V342-I348 HydrophobicContact CB-CG1 4.39Å; V342-I348 HydrophobicContact CG2-CG1 3.97Å; I348-M353 WeakPolarHBondContact O-CE 3.33Å
349	F	98.1	Very high	96.4	Very high	60 Å²	60	58.5 Å²	58.5	26%	0.263	28%	0.283	S	S	.	.			trans	-160.2	148.5	-171	-166.1	-89.4	0	0	0	110.4	V103 Y346 M353	V103-F349 HydrophobicContact CG2-CE2 4.04Å; V103-F349 HydrophobicContact CG2-CZ 3.65Å; Y346-F349 HydrophobicContact CD1-CD1 4.42Å; Y346-F349 HydrophobicContact CD1-CD2 4.21Å; Y346-F349 HydrophobicContact CD1-CE2 4.27Å; Y346-F349 HydrophobicContact CD1-CG 4.28Å; Y346-F349 HydrophobicContact CD1-CZ 4.44Å; Y346-F349 HydrophobicContact CE1-CE2 4.24Å; Y346-F349 HydrophobicContact CE1-CZ 4.29Å; F349-M353 HydrophobicContact CD2-SD 3.72Å; F349-M353 HydrophobicContact CE2-SD 4.09Å; F349-M353 HydrophobicContact CG-SD 4.28Å
350	D	97.9	Very high	96.5	Very high	47 Å²	47	54.6 Å²	54.6	25%	0.251	26%	0.262	S	S	.	.			trans	-153	176.9	161.9	66.8	62.9	0	0	0	108.6	W352 M353	D350-W352 VanDerWaalsContact C-N 3.25Å; D350-W352 PolarHBondContact O-N 3.14Å; D350-W352 PolarHBondContact OD1-N 3.21Å; D350-M353 WeakPolarHBondContact O-CG 3.48Å; D350-M353 PolarHBondContact OD1-N 3.36Å
351	T	98.1	Very high	96.5	Very high	97 Å²	97	55.9 Å²	55.9	60%	0.595	27%	0.269	S	S	*	.	S	Bend	trans	-56.5	-35.7	-174.5	-51.6	0	0	0	0	113.7	A100	A100-T351 WeakPolarHBondContact CA-O 3.49Å; A100-T351 WeakPolarHBondContact CB-O 3.46Å
352	W	98.3	Very high	96.6	Very high	114 Å²	114	51.1 Å²	51.1	43%	0.432	25%	0.247	S	C	.	.	S	Bend	trans	-117.4	-31.5	-168.3	-66.9	-46.7	0	0	0	114.2	R98 L101 D350 G354	R98-W352 VanDerWaalsContact CZ-CE3 3.48Å; R98-W352 VanDerWaalsContact CZ-CG 3.4Å; R98-W352 VanDerWaalsContact NH1-CD2 3.29Å; R98-W352 VanDerWaalsContact NH1-CE2 3.26Å; R98-W352 VanDerWaalsContact NH2-CG 3.27Å; L101-W352 WeakPolarHBondContact CB-O 3.46Å; L101-W352 WeakPolarHBondContact CD1-O 3.29Å; L101-W352 WeakPolarHBondContact CG-O 3.29Å; D350-W352 VanDerWaalsContact C-N 3.25Å; D350-W352 PolarHBondContact O-N 3.14Å; D350-W352 PolarHBondContact OD1-N 3.21Å; W352-G354 WeakPolarHBondContact CB-O 3.31Å; W352-G354 PolarHBondContact O-N 3.42Å; W352-G354 VanDerWaalsContact O-N 3.16Å
353	M	96.9	Very high	96.7	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.049	24%	0.243	C	C	.	.	S	Bend	trans	45.8	45.3	-178.7	-53.7	-172.4	75.4	0	0	112.3	L101 M129 T130 M131 I348 F349 D350	L101-M353 HydrophobicContact CB-CB 4.23Å; L101-M353 WeakPolarHBondContact CD1-O 3.27Å; M129-M353 HydrophobicContact CE-CE 3.81Å; M129-M353 HydrophobicContact CG-CE 4.1Å; M129-M353 HydrophobicContact SD-CE 3.33Å; M129-M353 WeakPolarHBondContact SD-CE 3.45Å; T130-M353 CarbonylContact C-O 3.53Å; T130-M353 WeakPolarHBondContact CB-O 3.29Å; T130-M353 CarbonylContact O-C 3.52Å; T130-M353 PolarHBondContact OG1-O 3.08Å; M131-M353 HydrophobicContact CE-CE 4.45Å; I348-M353 WeakPolarHBondContact O-CE 3.33Å; F349-M353 HydrophobicContact CD2-SD 3.72Å; F349-M353 HydrophobicContact CE2-SD 4.09Å; F349-M353 HydrophobicContact CG-SD 4.28Å; D350-M353 WeakPolarHBondContact O-CG 3.48Å; D350-M353 PolarHBondContact OD1-N 3.36Å
354	G	97.2	Very high	97	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.01	21%	0.207	C	C	.	.	S	Bend	trans	102.3	-156.6	-172.5	0	0	0	0	0	113.6	M131 M132 W352	M131-G354 WeakPolarHBondContact O-CA 3.32Å; M132-G354 VanDerWaalsContact SD-C 3.54Å; W352-G354 WeakPolarHBondContact CB-O 3.31Å; W352-G354 PolarHBondContact O-N 3.42Å; W352-G354 VanDerWaalsContact O-N 3.16Å
355	D	97.3	Very high	97.2	Very high	15 Å²	15	39.1 Å²	39.1	8%	0.08	19%	0.193	C	C	.	.			trans	-156	115.4	-175.3	179.3	-6.7	0	0	0	109.7	M132 S357 K358 L359	M132-D355 HydrophobicContact SD-CB 4.23Å; D355-S357 PolarHBondContact O-N 3.43Å; D355-S357 VanDerWaalsContact OD1-CB 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.37Å; D355-S357 PolarHBondContact OD1-N 3.41Å; D355-S357 PolarHBondContact OD1-OG 3.3Å; D355-S357 PolarHBondContact OD2-OG 3.19Å; D355-K358 HydrophobicContact CB-CB 4.35Å; D355-K358 HydrophobicContact CB-CG 3.84Å; D355-K358 WeakPolarHBondContact O-CB 3.29Å; D355-K358 PolarHBondContact O-N 2.91Å; D355-K358 IonicContact OD2-NZ 2.83Å; D355-K358 PolarHBondContact OD2-NZ 2.97Å; D355-L359 PolarHBondContact O-N 3.31Å; D355-L359 VanDerWaalsContact O-N 3.15Å
356	P	96.1	Very high	97.5	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.013	17%	0.169	C	C	.	.	H	α-helix	trans	-57.4	-28.7	177.7	-28.6	38.4	0	0	0	114.3	L94 P99 L101 P106 K358 L359 V360	L94-P356 HydrophobicContact CB-CB 4.39Å; L94-P356 HydrophobicContact CD2-CB 4.03Å; P99-P356 HydrophobicContact CG-CG 3.7Å; L101-P356 HydrophobicContact CD1-CG 4.18Å; L101-P356 HydrophobicContact CD2-CG 3.86Å; L101-P356 HydrophobicContact CG-CG 4.27Å; P106-P356 HydrophobicContact CG-CG 4.24Å; P356-K358 VanDerWaalsContact C-N 3.26Å; P356-K358 PolarHBondContact O-N 3.09Å; P356-L359 WeakPolarHBondContact O-CB 3.33Å; P356-L359 PolarHBondContact O-N 3.42Å; P356-V360 PolarHBondContact O-N 2.64Å
357	S	96.5	Very high	97.5	Very high	5 Å²	5	35 Å²	35	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-33.4	176.1	76.4	0	0	0	0	111.8	D355 V360 L361	D355-S357 PolarHBondContact O-N 3.43Å; D355-S357 VanDerWaalsContact OD1-CB 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.37Å; D355-S357 PolarHBondContact OD1-N 3.41Å; D355-S357 PolarHBondContact OD1-OG 3.3Å; D355-S357 PolarHBondContact OD2-OG 3.19Å; S357-V360 VanDerWaalsContact O-CG1 3.28Å; S357-V360 WeakPolarHBondContact O-CG1 3.39Å; S357-L361 WeakPolarHBondContact O-CG 3.08Å; S357-L361 PolarHBondContact O-N 2.86Å
358	K	97.7	Very high	97.5	Very high	73 Å²	73	30.5 Å²	30.5	32%	0.317	15%	0.146	S	C	.	.	H	α-helix	trans	-76.2	-35.6	174.6	-55.8	-61.5	171.5	-67.9	0	111.2	L330 L331 D355 P356 L361 L362	L330-K358 HydrophobicContact CB-CB 4.36Å; L331-K358 HydrophobicContact CB-CB 4.02Å; D355-K358 HydrophobicContact CB-CB 4.35Å; D355-K358 HydrophobicContact CB-CG 3.84Å; D355-K358 WeakPolarHBondContact O-CB 3.29Å; D355-K358 PolarHBondContact O-N 2.91Å; D355-K358 IonicContact OD2-NZ 2.83Å; D355-K358 PolarHBondContact OD2-NZ 2.97Å; P356-K358 VanDerWaalsContact C-N 3.26Å; P356-K358 PolarHBondContact O-N 3.09Å; K358-L361 PolarHBondContact O-N 3.49Å; K358-L362 WeakPolarHBondContact O-CB 3.46Å; K358-L362 PolarHBondContact O-N 3.36Å
359	L	97.1	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-45.3	176.6	-168.9	63.7	0	0	0	112	Y109 R112 I113 S116 L117 L331 D355 P356 L361 L362 E363	Y109-L359 HydrophobicContact CD2-CD2 4.09Å; Y109-L359 HydrophobicContact CE2-CD2 3.76Å; R112-L359 HydrophobicContact CB-CD2 3.64Å; R112-L359 HydrophobicContact CB-CG 4.33Å; I113-L359 HydrophobicContact CD1-CD1 4.22Å; I113-L359 HydrophobicContact CD1-CD2 3.84Å; I113-L359 HydrophobicContact CG1-CD2 4.28Å; S116-L359 WeakPolarHBondContact OG-CD1 3.21Å; L117-L359 HydrophobicContact CD1-CD1 4.11Å; L117-L359 HydrophobicContact CG-CD1 4.11Å; L331-L359 HydrophobicContact CD1-CD1 4.34Å; D355-L359 PolarHBondContact O-N 3.31Å; D355-L359 VanDerWaalsContact O-N 3.15Å; P356-L359 WeakPolarHBondContact O-CB 3.33Å; P356-L359 PolarHBondContact O-N 3.42Å; L359-L361 VanDerWaalsContact C-N 3.34Å; L359-L361 PolarHBondContact O-N 3.15Å; L359-L362 WeakPolarHBondContact O-CB 3.31Å; L359-L362 PolarHBondContact O-N 3.25Å; L359-L362 VanDerWaalsContact O-N 3.16Å; L359-E363 WeakPolarHBondContact O-CG 3.39Å; L359-E363 PolarHBondContact O-N 2.9Å
360	V	96.3	Very high	97.5	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-68.2	-33.6	178.6	69.2	0	0	0	0	112.6	I85 N91 L94 F95 P356 S357 E363 G364	I85-V360 HydrophobicContact CG2-CG1 4.24Å; I85-V360 HydrophobicContact CG2-CG2 3.92Å; N91-V360 HydrophobicContact CB-CG2 4.48Å; L94-V360 HydrophobicContact CD1-CB 4.32Å; L94-V360 HydrophobicContact CD1-CG1 4.37Å; F95-V360 HydrophobicContact CE2-CG1 4.3Å; F95-V360 HydrophobicContact CZ-CG1 4.12Å; P356-V360 PolarHBondContact O-N 2.64Å; S357-V360 VanDerWaalsContact O-CG1 3.28Å; S357-V360 WeakPolarHBondContact O-CG1 3.39Å; V360-E363 WeakPolarHBondContact O-CB 3.16Å; V360-E363 PolarHBondContact O-N 3.41Å; V360-G364 PolarHBondContact O-N 3.32Å
361	L	97.9	Very high	97.4	Very high	29 Å²	29	40.6 Å²	40.6	15%	0.152	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-40.9	170.9	-68.1	172.9	0	0	0	111	L82 I85 T86 F95 L330 S357 K358 L359 E363 G364 V365	L82-L361 HydrophobicContact CB-CD2 4.31Å; L82-L361 HydrophobicContact CD2-CD2 4.4Å; L82-L361 WeakPolarHBondContact CD2-O 3.47Å; I85-L361 HydrophobicContact CG2-CD2 4Å; T86-L361 HydrophobicContact CG2-CD2 4.3Å; F95-L361 HydrophobicContact CE1-CD1 4.21Å; F95-L361 HydrophobicContact CE1-CG 4.39Å; F95-L361 HydrophobicContact CZ-CD2 4.27Å; F95-L361 HydrophobicContact CZ-CG 4.24Å; L330-L361 HydrophobicContact CD1-CB 3.58Å; S357-L361 WeakPolarHBondContact O-CG 3.08Å; S357-L361 PolarHBondContact O-N 2.86Å; K358-L361 PolarHBondContact O-N 3.49Å; L359-L361 VanDerWaalsContact C-N 3.34Å; L359-L361 PolarHBondContact O-N 3.15Å; L361-E363 VanDerWaalsContact C-N 3.33Å; L361-E363 PolarHBondContact O-N 2.91Å; L361-G364 WeakPolarHBondContact O-CA 3.43Å; L361-G364 PolarHBondContact O-N 3.26Å; L361-V365 PolarHBondContact O-N 3.32Å
362	L	98.4	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-39.8	176.6	176.9	64.1	0	0	0	111.4	L117 M329 L330 L331 K358 L359 G364 V365 L366	L117-L362 HydrophobicContact CD2-CD2 3.54Å; L117-L362 HydrophobicContact CG-CD2 4.19Å; M329-L362 HydrophobicContact CE-CD1 4.19Å; M329-L362 HydrophobicContact CE-CD2 4.02Å; M329-L362 WeakPolarHBondContact O-CD1 3.41Å; M329-L362 WeakPolarHBondContact O-CD2 3.19Å; M329-L362 HydrophobicContact SD-CD1 4.38Å; L330-L362 HydrophobicContact CD1-CB 4.46Å; L331-L362 HydrophobicContact CD2-CD2 3.67Å; K358-L362 WeakPolarHBondContact O-CB 3.46Å; K358-L362 PolarHBondContact O-N 3.36Å; L359-L362 WeakPolarHBondContact O-CB 3.31Å; L359-L362 PolarHBondContact O-N 3.25Å; L359-L362 VanDerWaalsContact O-N 3.16Å; L362-G364 PolarHBondContact O-N 2.88Å; L362-V365 HydrophobicContact CD1-CB 4.33Å; L362-V365 HydrophobicContact CD1-CG1 4.42Å; L362-V365 WeakPolarHBondContact O-CA 3.25Å; L362-V365 WeakPolarHBondContact O-CB 3.32Å; L362-V365 PolarHBondContact O-N 3.39Å; L362-V365 VanDerWaalsContact O-N 3.08Å; L362-L366 HydrophobicContact CD1-CD1 4.31Å; L362-L366 HydrophobicContact CD1-CD2 4.19Å; L362-L366 HydrophobicContact CD1-CG 3.94Å; L362-L366 HydrophobicContact CD2-CD1 4.49Å; L362-L366 HydrophobicContact CG-CD1 4.05Å; L362-L366 HydrophobicContact CG-CG 4.13Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 3.17Å
363	E	97.3	Very high	97.2	Very high	17 Å²	17	35 Å²	35	8%	0.079	16%	0.159	C	C	.	.	H	α-helix	trans	-54.2	-42.2	171.8	-70.6	167.6	-150.1	0	0	111.5	R112 L359 V360 L361 K367	R112-E363 WeakPolarHBondContact CB-OE1 3.3Å; R112-E363 WeakPolarHBondContact CD-OE1 3.21Å; R112-E363 WeakPolarHBondContact CG-OE1 3.25Å; R112-E363 IonicContact CZ-OE1 3.53Å; R112-E363 VanDerWaalsContact NH1-CD 3.34Å; R112-E363 IonicContact NH1-OE1 2.76Å; R112-E363 PolarHBondContact NH1-OE1 3.06Å; R112-E363 IonicContact NH1-OE2 3.21Å; R112-E363 PolarHBondContact NH1-OE2 3.44Å; R112-E363 VanDerWaalsContact NH1-OE2 3.1Å; L359-E363 WeakPolarHBondContact O-CG 3.39Å; L359-E363 PolarHBondContact O-N 2.9Å; V360-E363 WeakPolarHBondContact O-CB 3.16Å; V360-E363 PolarHBondContact O-N 3.41Å; L361-E363 VanDerWaalsContact C-N 3.33Å; L361-E363 PolarHBondContact O-N 2.91Å; E363-K367 WeakPolarHBondContact O-CB 3.2Å; E363-K367 WeakPolarHBondContact O-CD 3.28Å; E363-K367 VanDerWaalsContact O-CG 3.23Å; E363-K367 WeakPolarHBondContact O-CG 3.12Å; E363-K367 PolarHBondContact O-N 3.34Å
364	G	97.1	Very high	97.3	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-45.4	173.5	0	0	0	0	0	112.9	I85 V360 L361 L362 K367 A368	I85-G364 VanDerWaalsContact CD1-CA 3.43Å; V360-G364 PolarHBondContact O-N 3.32Å; L361-G364 WeakPolarHBondContact O-CA 3.43Å; L361-G364 PolarHBondContact O-N 3.26Å; L362-G364 PolarHBondContact O-N 2.88Å; G364-K367 PolarHBondContact O-N 3.08Å; G364-A368 PolarHBondContact O-N 3.47Å
365	V	98.4	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.4	-50.7	176.1	169.9	0	0	0	0	111.5	P74 I75 L82 L330 L361 L362 K367 A368 I369	P74-V365 HydrophobicContact CB-CG1 3.68Å; P74-V365 HydrophobicContact CB-CG2 4.44Å; P74-V365 HydrophobicContact CG-CB 4.35Å; P74-V365 HydrophobicContact CG-CG1 3.76Å; P74-V365 HydrophobicContact CG-CG2 3.6Å; I75-V365 HydrophobicContact CD1-CB 4.46Å; I75-V365 HydrophobicContact CD1-CG2 3.98Å; I75-V365 HydrophobicContact CG1-CG2 4.18Å; I75-V365 HydrophobicContact CG2-CG1 4.24Å; L82-V365 HydrophobicContact CD1-CG2 4.22Å; L82-V365 HydrophobicContact CD2-CG2 4.06Å; L330-V365 HydrophobicContact CD1-CG2 3.92Å; L361-V365 PolarHBondContact O-N 3.32Å; L362-V365 HydrophobicContact CD1-CB 4.33Å; L362-V365 HydrophobicContact CD1-CG1 4.42Å; L362-V365 WeakPolarHBondContact O-CA 3.25Å; L362-V365 WeakPolarHBondContact O-CB 3.32Å; L362-V365 PolarHBondContact O-N 3.39Å; L362-V365 VanDerWaalsContact O-N 3.08Å; V365-K367 VanDerWaalsContact C-N 3.31Å; V365-K367 PolarHBondContact O-N 3.2Å; V365-A368 PolarHBondContact O-N 3.23Å; V365-I369 HydrophobicContact CG1-CD1 3.7Å; V365-I369 HydrophobicContact CG1-CG1 4.34Å; V365-I369 VanDerWaalsContact O-CG1 3.29Å; V365-I369 WeakPolarHBondContact O-CG1 3.49Å; V365-I369 PolarHBondContact O-N 3.49Å
366	L	98.5	Very high	97.4	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.084	18%	0.183	C	C	.	.	H	α-helix	trans	-65.1	-36.2	-178.4	-64.2	179.1	0	0	0	111.9	S116 V120 M308 L362 I369 K370	S116-L366 WeakPolarHBondContact O-CD1 3.47Å; V120-L366 HydrophobicContact CG1-CD1 4.21Å; V120-L366 HydrophobicContact CG1-CD2 3.97Å; V120-L366 HydrophobicContact CG2-CD1 4.12Å; V120-L366 HydrophobicContact CG2-CD2 4.37Å; M308-L366 HydrophobicContact CE-CD2 3.67Å; L362-L366 HydrophobicContact CD1-CD1 4.31Å; L362-L366 HydrophobicContact CD1-CD2 4.19Å; L362-L366 HydrophobicContact CD1-CG 3.94Å; L362-L366 HydrophobicContact CD2-CD1 4.49Å; L362-L366 HydrophobicContact CG-CD1 4.05Å; L362-L366 HydrophobicContact CG-CG 4.13Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 3.17Å; L366-I369 HydrophobicContact CD2-CD1 4.31Å; L366-K370 PolarHBondContact O-N 2.94Å; L366-K370 VanDerWaalsContact O-N 3.08Å
367	K	97.5	Very high	97.4	Very high	137 Å²	137	40.6 Å²	40.6	60%	0.596	19%	0.185	S	C	*	.	H	α-helix	trans	-63	-46.4	172.7	-76.8	169.5	-176.6	167.6	0	111.6	E363 G364 V365 K370 R371	E363-K367 WeakPolarHBondContact O-CB 3.2Å; E363-K367 WeakPolarHBondContact O-CD 3.28Å; E363-K367 VanDerWaalsContact O-CG 3.23Å; E363-K367 WeakPolarHBondContact O-CG 3.12Å; E363-K367 PolarHBondContact O-N 3.34Å; G364-K367 PolarHBondContact O-N 3.08Å; V365-K367 VanDerWaalsContact C-N 3.31Å; V365-K367 PolarHBondContact O-N 3.2Å; K367-K370 PolarHBondContact O-N 2.84Å; K367-R371 VanDerWaalsContact O-CB 3.26Å; K367-R371 WeakPolarHBondContact O-CB 3.2Å; K367-R371 PolarHBondContact O-N 2.97Å
368	A	97.2	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-46.4	176.7	0	0	0	0	0	111.4	I75 G364 V365 K370 R371 D372	I75-A368 HydrophobicContact CD1-CB 3.93Å; G364-A368 PolarHBondContact O-N 3.47Å; V365-A368 PolarHBondContact O-N 3.23Å; A368-K370 VanDerWaalsContact C-N 3.26Å; A368-K370 PolarHBondContact O-N 3.1Å; A368-R371 PolarHBondContact O-N 2.84Å; A368-D372 VanDerWaalsContact O-CB 3.32Å; A368-D372 WeakPolarHBondContact O-CB 3.29Å; A368-D372 PolarHBondContact O-N 3.36Å
369	I	97.9	Very high	97.5	Very high	11 Å²	11	41 Å²	41	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-52.6	-46	176	-71	169.1	0	0	0	111.5	I75 V365 L366 N373 L374 I375 L448	I75-I369 HydrophobicContact CG2-CG1 4.32Å; V365-I369 HydrophobicContact CG1-CD1 3.7Å; V365-I369 HydrophobicContact CG1-CG1 4.34Å; V365-I369 VanDerWaalsContact O-CG1 3.29Å; V365-I369 WeakPolarHBondContact O-CG1 3.49Å; V365-I369 PolarHBondContact O-N 3.49Å; L366-I369 HydrophobicContact CD2-CD1 4.31Å; I369-N373 PolarHBondContact O-N 3.07Å; I369-L374 HydrophobicContact CG1-CB 4.5Å; I369-L374 HydrophobicContact CG1-CD1 4.1Å; I369-L374 HydrophobicContact CG2-CB 4.49Å; I369-L374 PolarHBondContact O-N 2.96Å; I369-I375 HydrophobicContact CG2-CD1 4.01Å; I369-I375 HydrophobicContact CG2-CG1 3.86Å; I369-L448 HydrophobicContact CD1-CD1 3.46Å; I369-L448 VanDerWaalsContact CD1-CD1 3.46Å; I369-L448 HydrophobicContact CG1-CD1 3.63Å
370	K	97.3	Very high	97.6	Very high	185 Å²	185	45.4 Å²	45.4	80%	0.804	21%	0.211	S	C	*	.	H	α-helix	trans	-72.3	-48.7	179.8	-175.4	177.1	178.6	178.7	0	112.5	L366 K367 A368 D372 N373	L366-K370 PolarHBondContact O-N 2.94Å; L366-K370 VanDerWaalsContact O-N 3.08Å; K367-K370 PolarHBondContact O-N 2.84Å; A368-K370 VanDerWaalsContact C-N 3.26Å; A368-K370 PolarHBondContact O-N 3.1Å; K370-D372 VanDerWaalsContact C-N 3.34Å; K370-D372 PolarHBondContact O-N 3.26Å; K370-N373 PolarHBondContact O-N 2.74Å
371	R	96.6	Very high	97.6	Very high	135 Å²	135	45.2 Å²	45.2	51%	0.509	21%	0.21	S	C	.	.	H	α-helix	trans	-60.8	-44.7	-177.5	-178.2	-168.5	66.6	-144.6	-11.2	111.3	D81 K367 A368 N373	D81-R371 IonicContact OD1-NH1 2.79Å; D81-R371 IonicContact OD2-CZ 3.1Å; D81-R371 IonicContact OD2-NH1 3.88Å; D81-R371 PolarHBondContact OD2-NH1 3.12Å; D81-R371 IonicContact OD2-NH2 3.25Å; D81-R371 PolarHBondContact OD2-NH2 2.93Å; K367-R371 VanDerWaalsContact O-CB 3.26Å; K367-R371 WeakPolarHBondContact O-CB 3.2Å; K367-R371 PolarHBondContact O-N 2.97Å; A368-R371 PolarHBondContact O-N 2.84Å; R371-N373 VanDerWaalsContact C-N 3.34Å
372	D	96.1	Very high	97.7	Very high	19 Å²	19	44 Å²	44	10%	0.102	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	6.9	-171.4	-55.2	-25.1	0	0	0	112.1	V3 S6 A368 K370 L374	V3-D372 HydrophobicContact CG1-CB 3.84Å; V3-D372 VanDerWaalsContact CG1-O 3.28Å; V3-D372 WeakPolarHBondContact CG1-O 3.47Å; V3-D372 WeakPolarHBondContact CG2-O 3.31Å; S6-D372 PolarHBondContact OG-OD2 3.43Å; A368-D372 VanDerWaalsContact O-CB 3.32Å; A368-D372 WeakPolarHBondContact O-CB 3.29Å; A368-D372 PolarHBondContact O-N 3.36Å; K370-D372 VanDerWaalsContact C-N 3.34Å; K370-D372 PolarHBondContact O-N 3.26Å; D372-L374 VanDerWaalsContact C-N 3.27Å; D372-L374 HydrophobicContact CB-CD2 3.62Å; D372-L374 HydrophobicContact CB-CG 3.88Å; D372-L374 PolarHBondContact O-N 3.45Å
373	N	96.7	Very high	97.7	Very high	75 Å²	75	47.2 Å²	47.2	40%	0.401	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	43.5	178.3	-163.6	21	0	0	0	113.4	I369 K370 R371 I375 E376 N377	I369-N373 PolarHBondContact O-N 3.07Å; K370-N373 PolarHBondContact O-N 2.74Å; R371-N373 VanDerWaalsContact C-N 3.34Å; N373-I375 PolarHBondContact O-N 3.41Å; N373-E376 WeakPolarHBondContact ND2-CB 3.37Å; N373-E376 PolarHBondContact ND2-OE2 3.21Å; N373-E376 PolarHBondContact O-N 2.8Å; N373-E376 WeakPolarHBondContact OD1-CB 3.2Å; N373-N377 PolarHBondContact O-N 3.43Å; N373-N377 VanDerWaalsContact O-N 3.09Å
374	L	97.9	Very high	97.7	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-69.9	-19.3	-169.1	-59.1	-175.5	0	0	0	113.6	I75 I369 D372 T378 L448 I449	I75-L374 HydrophobicContact CG2-CD1 3.77Å; I369-L374 HydrophobicContact CG1-CB 4.5Å; I369-L374 HydrophobicContact CG1-CD1 4.1Å; I369-L374 HydrophobicContact CG2-CB 4.49Å; I369-L374 PolarHBondContact O-N 2.96Å; D372-L374 VanDerWaalsContact C-N 3.27Å; D372-L374 HydrophobicContact CB-CD2 3.62Å; D372-L374 HydrophobicContact CB-CG 3.88Å; D372-L374 PolarHBondContact O-N 3.45Å; L374-T378 WeakPolarHBondContact O-CB 3.48Å; L374-T378 PolarHBondContact O-N 3.1Å; L374-T378 PolarHBondContact O-OG1 3.36Å; L374-L448 HydrophobicContact CB-CB 3.96Å; L374-L448 HydrophobicContact CD1-CB 4.03Å; L374-I449 HydrophobicContact CD1-CG2 4.03Å; L374-I449 HydrophobicContact CD2-CG2 4.31Å
375	I	98.2	Very high	97.8	Very high	38 Å²	38	49.2 Å²	49.2	20%	0.195	24%	0.241	C	C	.	.	H	α-helix	trans	-68.9	-47.6	174.1	-58.5	-62.8	0	0	0	110.5	G306 I369 N373 N377 T378 Q379	G306-I375 VanDerWaalsContact C-CG2 3.49Å; G306-I375 WeakPolarHBondContact O-CG2 3.22Å; I369-I375 HydrophobicContact CG2-CD1 4.01Å; I369-I375 HydrophobicContact CG2-CG1 3.86Å; N373-I375 PolarHBondContact O-N 3.41Å; I375-N377 VanDerWaalsContact C-N 3.35Å; I375-T378 WeakPolarHBondContact O-CB 3.47Å; I375-T378 PolarHBondContact O-N 3.42Å; I375-Q379 WeakPolarHBondContact O-CG 3.36Å; I375-Q379 PolarHBondContact O-N 2.78Å; I375-Q379 VanDerWaalsContact O-N 3.1Å
376	E	97.8	Very high	97.8	Very high	92 Å²	92	50.9 Å²	50.9	43%	0.43	25%	0.25	S	C	.	.	H	α-helix	trans	-65.9	-40.5	176	-169.6	-177.9	152.3	0	0	110.7	N373 T378 Q379 N380	N373-E376 WeakPolarHBondContact ND2-CB 3.37Å; N373-E376 PolarHBondContact ND2-OE2 3.21Å; N373-E376 PolarHBondContact O-N 2.8Å; N373-E376 WeakPolarHBondContact OD1-CB 3.2Å; E376-T378 VanDerWaalsContact C-N 3.27Å; E376-T378 PolarHBondContact O-N 3.19Å; E376-Q379 WeakPolarHBondContact O-CB 3.25Å; E376-Q379 PolarHBondContact O-N 3.26Å; E376-Q379 VanDerWaalsContact O-N 3.11Å; E376-N380 PolarHBondContact O-N 3.05Å; E376-N380 PolarHBondContact O-ND2 3.31Å
377	N	97.3	Very high	97.8	Very high	11 Å²	11	52 Å²	52	6%	0.059	27%	0.265	C	S	.	.	H	α-helix	trans	-54.4	-44.7	171.4	175.5	57.7	0	0	0	112.3	N373 I375 Q379 N380 T381 L448 F450 Q451	N373-N377 PolarHBondContact O-N 3.43Å; N373-N377 VanDerWaalsContact O-N 3.09Å; I375-N377 VanDerWaalsContact C-N 3.35Å; N377-Q379 VanDerWaalsContact C-N 3.31Å; N377-Q379 PolarHBondContact O-N 3.4Å; N377-N380 PolarHBondContact O-N 3.23Å; N377-T381 VanDerWaalsContact O-CB 3.27Å; N377-T381 WeakPolarHBondContact O-CB 3.4Å; N377-T381 PolarHBondContact O-N 3.28Å; N377-T381 PolarHBondContact O-OG1 3.08Å; N377-T381 VanDerWaalsContact O-OG1 3.07Å; N377-T381 PolarHBondContact OD1-OG1 3.35Å; N377-L448 PolarHBondContact ND2-O 3.09Å; N377-F450 PolarHBondContact ND2-O 2.99Å; N377-Q451 PolarHBondContact ND2-NE2 3.32Å; N377-Q451 VanDerWaalsContact ND2-NE2 3.14Å; N377-Q451 VanDerWaalsContact OD1-CD 3.29Å; N377-Q451 PolarHBondContact OD1-NE2 2.96Å; N377-Q451 PolarHBondContact OD1-OE1 3.2Å; N377-Q451 VanDerWaalsContact OD1-OE1 3.14Å
378	T	98.3	Very high	97.9	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-36.7	178.5	-62.1	0	0	0	0	112	G303 V304 L374 I375 E376 G382 G407 T408 L448	G303-T378 WeakPolarHBondContact O-CG2 3.49Å; V304-T378 WeakPolarHBondContact O-CG2 3.39Å; L374-T378 WeakPolarHBondContact O-CB 3.48Å; L374-T378 PolarHBondContact O-N 3.1Å; L374-T378 PolarHBondContact O-OG1 3.36Å; I375-T378 WeakPolarHBondContact O-CB 3.47Å; I375-T378 PolarHBondContact O-N 3.42Å; E376-T378 VanDerWaalsContact C-N 3.27Å; E376-T378 PolarHBondContact O-N 3.19Å; T378-G382 WeakPolarHBondContact O-CA 3.18Å; T378-G382 PolarHBondContact O-N 3.42Å; T378-G407 WeakPolarHBondContact O-CA 3.22Å; T378-T408 HydrophobicContact CG2-CG2 4.11Å; T378-L448 WeakPolarHBondContact OG1-CD2 3.44Å
379	Q	98.1	Very high	98	Very high	86 Å²	86	47.9 Å²	47.9	40%	0.402	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-52.2	174.5	-67.4	171.2	-16.3	0	0	111.1	G306 I375 E376 N377 G382 A383	G306-Q379 VanDerWaalsContact CA-CG 3.43Å; G306-Q379 PolarHBondContact O-NE2 3.32Å; I375-Q379 WeakPolarHBondContact O-CG 3.36Å; I375-Q379 PolarHBondContact O-N 2.78Å; I375-Q379 VanDerWaalsContact O-N 3.1Å; E376-Q379 WeakPolarHBondContact O-CB 3.25Å; E376-Q379 PolarHBondContact O-N 3.26Å; E376-Q379 VanDerWaalsContact O-N 3.11Å; N377-Q379 VanDerWaalsContact C-N 3.31Å; N377-Q379 PolarHBondContact O-N 3.4Å; Q379-G382 PolarHBondContact O-N 3.16Å; Q379-A383 WeakPolarHBondContact O-CB 3.37Å; Q379-A383 PolarHBondContact O-N 3.11Å
380	N	97.7	Very high	98	Very high	92 Å²	92	51.1 Å²	51.1	49%	0.492	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-50.6	-175.3	-66.9	-25.3	0	0	0	111.7	E376 N377 G382 A383 L384	E376-N380 PolarHBondContact O-N 3.05Å; E376-N380 PolarHBondContact O-ND2 3.31Å; N377-N380 PolarHBondContact O-N 3.23Å; N380-G382 VanDerWaalsContact C-N 3.31Å; N380-G382 PolarHBondContact O-N 3.28Å; N380-A383 PolarHBondContact O-N 3.41Å; N380-L384 PolarHBondContact O-N 3.23Å
381	T	98	Very high	98	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-36.5	178.9	-58.4	0	0	0	0	111.5	N377 L384 L385 T408 F450 Q451 P452 V455	N377-T381 VanDerWaalsContact O-CB 3.27Å; N377-T381 WeakPolarHBondContact O-CB 3.4Å; N377-T381 PolarHBondContact O-N 3.28Å; N377-T381 PolarHBondContact O-OG1 3.08Å; N377-T381 VanDerWaalsContact O-OG1 3.07Å; N377-T381 PolarHBondContact OD1-OG1 3.35Å; T381-L384 PolarHBondContact O-N 2.97Å; T381-L385 PolarHBondContact O-N 3.41Å; T381-T408 HydrophobicContact CG2-CG2 4.39Å; T381-F450 HydrophobicContact CG2-CD1 3.72Å; T381-F450 HydrophobicContact CG2-CE1 4.28Å; T381-F450 PolarHBondContact OG1-O 2.95Å; T381-Q451 VanDerWaalsContact CG2-C 3.45Å; T381-P452 WeakPolarHBondContact OG1-CD 3.49Å; T381-V455 HydrophobicContact CG2-CG2 3.58Å
382	G	98.6	Very high	98.1	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-42.3	175.4	0	0	0	0	0	114	T378 Q379 N380 L384 L385 L386 G407	T378-G382 WeakPolarHBondContact O-CA 3.18Å; T378-G382 PolarHBondContact O-N 3.42Å; Q379-G382 PolarHBondContact O-N 3.16Å; N380-G382 VanDerWaalsContact C-N 3.31Å; N380-G382 PolarHBondContact O-N 3.28Å; G382-L384 VanDerWaalsContact C-N 3.33Å; G382-L384 PolarHBondContact O-N 2.79Å; G382-L385 PolarHBondContact O-N 2.91Å; G382-L386 PolarHBondContact O-N 2.94Å; G382-G407 CarbonylContact C-O 3.18Å; G382-G407 WeakPolarHBondContact CA-O 3.29Å
383	A	98.6	Very high	98.2	Very high	68 Å²	68	40.7 Å²	40.7	56%	0.562	22%	0.217	S	C	*	.	H	α-helix	trans	-61.3	-42.2	176.3	0	0	0	0	0	111.8	Q379 N380 G387	Q379-A383 WeakPolarHBondContact O-CB 3.37Å; Q379-A383 PolarHBondContact O-N 3.11Å; N380-A383 PolarHBondContact O-N 3.41Å; A383-G387 PolarHBondContact O-N 2.95Å
384	L	98.6	Very high	98.2	Very high	62 Å²	62	45.4 Å²	45.4	33%	0.325	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-49.1	174	178.5	63.6	0	0	0	111.6	N380 T381 G382 L386 G387 E388 P452 V455	N380-L384 PolarHBondContact O-N 3.23Å; T381-L384 PolarHBondContact O-N 2.97Å; G382-L384 VanDerWaalsContact C-N 3.33Å; G382-L384 PolarHBondContact O-N 2.79Å; L384-L386 PolarHBondContact O-N 3.32Å; L384-G387 PolarHBondContact O-N 3.48Å; L384-G387 VanDerWaalsContact O-N 3.16Å; L384-E388 HydrophobicContact CD1-CG 4.42Å; L384-E388 PolarHBondContact O-N 3.47Å; L384-P452 HydrophobicContact CD2-CB 3.69Å; L384-V455 HydrophobicContact CD2-CB 4.12Å; L384-V455 HydrophobicContact CD2-CG1 4.3Å; L384-V455 HydrophobicContact CD2-CG2 4.41Å; L384-V455 HydrophobicContact CG-CB 4.42Å; L384-V455 HydrophobicContact CG-CG1 4.09Å
385	L	98.8	Very high	98.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-48.8	178.5	176.1	60	0	0	0	111.7	T381 G382 G387 E388 L389 C410 F444 V455 I459	T381-L385 PolarHBondContact O-N 3.41Å; G382-L385 PolarHBondContact O-N 2.91Å; L385-G387 VanDerWaalsContact C-N 3.33Å; L385-G387 PolarHBondContact O-N 3.17Å; L385-E388 PolarHBondContact O-N 2.97Å; L385-L389 HydrophobicContact CD1-CD1 4.24Å; L385-L389 HydrophobicContact CD1-CG 4.26Å; L385-L389 HydrophobicContact CG-CD1 4.22Å; L385-L389 VanDerWaalsContact O-CG 3.31Å; L385-L389 WeakPolarHBondContact O-CG 3.49Å; L385-L389 PolarHBondContact O-N 2.88Å; L385-C410 HydrophobicContact CD2-CB 3.89Å; L385-C410 HydrophobicContact CG-CB 4.18Å; L385-F444 HydrophobicContact CD1-CD1 4.18Å; L385-F444 HydrophobicContact CD1-CE1 4.3Å; L385-F444 HydrophobicContact CD1-CG 4.45Å; L385-F444 HydrophobicContact CD2-CB 3.82Å; L385-F444 HydrophobicContact CD2-CD1 4.27Å; L385-F444 HydrophobicContact CD2-CG 3.98Å; L385-V455 HydrophobicContact CB-CG1 4.16Å; L385-V455 HydrophobicContact CB-CG2 4.04Å; L385-V455 HydrophobicContact CD1-CG1 4.09Å; L385-I459 HydrophobicContact CD1-CD1 4.46Å
386	L	98.7	Very high	98.3	Very high	35 Å²	35	50 Å²	50	18%	0.183	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-39.2	178.5	-178.3	60.3	0	0	0	112	G382 L384 L389 K390 G405	G382-L386 PolarHBondContact O-N 2.94Å; L384-L386 PolarHBondContact O-N 3.32Å; L386-L389 PolarHBondContact O-N 3.13Å; L386-K390 HydrophobicContact CD1-CG 4.48Å; L386-K390 WeakPolarHBondContact O-CG 3.41Å; L386-K390 PolarHBondContact O-N 2.86Å; L386-G405 WeakPolarHBondContact CD2-O 3.41Å
387	G	98.6	Very high	98.2	Very high	38 Å²	38	50.2 Å²	50.2	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-57.8	-48.3	175.1	0	0	0	0	0	112.2	A383 L384 L385 K390 R391	A383-G387 PolarHBondContact O-N 2.95Å; L384-G387 PolarHBondContact O-N 3.48Å; L384-G387 VanDerWaalsContact O-N 3.16Å; L385-G387 VanDerWaalsContact C-N 3.33Å; L385-G387 PolarHBondContact O-N 3.17Å; G387-K390 PolarHBondContact O-N 2.98Å; G387-R391 PolarHBondContact O-N 3.28Å
388	E	98.7	Very high	98.2	Very high	52 Å²	52	53.1 Å²	53.1	24%	0.243	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-37.9	177.8	-73.7	-56.9	117.8	0	0	112.8	L384 L385 K390 R391 L392 I459	L384-E388 HydrophobicContact CD1-CG 4.42Å; L384-E388 PolarHBondContact O-N 3.47Å; L385-E388 PolarHBondContact O-N 2.97Å; E388-K390 PolarHBondContact O-N 3.33Å; E388-R391 WeakPolarHBondContact O-CB 3.38Å; E388-R391 PolarHBondContact O-N 2.98Å; E388-R391 VanDerWaalsContact O-N 3.16Å; E388-R391 IonicContact OE1-NE 2.71Å; E388-R391 IonicContact OE2-CZ 3.81Å; E388-R391 IonicContact OE2-NE 3.2Å; E388-R391 PolarHBondContact OE2-NE 3.3Å; E388-R391 IonicContact OE2-NH2 2.86Å; E388-R391 PolarHBondContact OE2-NH2 2.9Å; E388-R391 VanDerWaalsContact OE2-NH2 3.08Å; E388-L392 WeakPolarHBondContact O-CG 3.37Å; E388-L392 PolarHBondContact O-N 2.9Å; E388-I459 HydrophobicContact CB-CB 4.49Å; E388-I459 HydrophobicContact CB-CD1 3.63Å; E388-I459 HydrophobicContact CB-CG1 3.63Å; E388-I459 HydrophobicContact CB-CG2 4.15Å; E388-I459 HydrophobicContact CG-CG1 4.06Å; E388-I459 HydrophobicContact CG-CG2 4.31Å; E388-I459 WeakPolarHBondContact OE2-CG2 3.44Å
389	L	98.7	Very high	98.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-41.6	174.1	-68.8	174.9	0	0	0	112	L385 L386 R391 L392 E393 A403 C410 V412 F444 I459	L385-L389 HydrophobicContact CD1-CD1 4.24Å; L385-L389 HydrophobicContact CD1-CG 4.26Å; L385-L389 HydrophobicContact CG-CD1 4.22Å; L385-L389 VanDerWaalsContact O-CG 3.31Å; L385-L389 WeakPolarHBondContact O-CG 3.49Å; L385-L389 PolarHBondContact O-N 2.88Å; L386-L389 PolarHBondContact O-N 3.13Å; L389-R391 VanDerWaalsContact C-N 3.29Å; L389-R391 PolarHBondContact O-N 2.68Å; L389-L392 PolarHBondContact O-N 3.26Å; L389-E393 WeakPolarHBondContact O-CB 3.39Å; L389-E393 PolarHBondContact O-N 2.91Å; L389-A403 HydrophobicContact CB-CB 3.96Å; L389-C410 HydrophobicContact CD1-CB 3.79Å; L389-V412 HydrophobicContact CD2-CG1 4.37Å; L389-F444 HydrophobicContact CD1-CD2 3.93Å; L389-F444 HydrophobicContact CD1-CE2 3.63Å; L389-F444 HydrophobicContact CD1-CZ 4.33Å; L389-F444 HydrophobicContact CD2-CE2 3.72Å; L389-F444 HydrophobicContact CD2-CZ 3.72Å; L389-F444 HydrophobicContact CG-CE2 4.29Å; L389-I459 HydrophobicContact CD2-CD1 4.35Å
390	K	98.2	Very high	98.2	Very high	78 Å²	78	51.4 Å²	51.4	34%	0.339	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-34.6	173.3	-75.4	-174.7	173.2	-166.1	0	111.8	E226 L386 G387 E388 K394 A403	E226-K390 IonicContact OE1-NZ 2.96Å; L386-K390 HydrophobicContact CD1-CG 4.48Å; L386-K390 WeakPolarHBondContact O-CG 3.41Å; L386-K390 PolarHBondContact O-N 2.86Å; G387-K390 PolarHBondContact O-N 2.98Å; E388-K390 PolarHBondContact O-N 3.33Å; K390-K394 WeakPolarHBondContact O-CG 3.11Å; K390-K394 PolarHBondContact O-N 2.86Å; K390-A403 HydrophobicContact CG-CB 3.95Å
391	R	98.3	Very high	98.2	Very high	85 Å²	85	49.8 Å²	49.8	32%	0.321	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-48	173.4	-173.7	-170.8	67.5	80	-7.3	111.2	G387 E388 L389 K394 K395 E463	G387-R391 PolarHBondContact O-N 3.28Å; E388-R391 WeakPolarHBondContact O-CB 3.38Å; E388-R391 PolarHBondContact O-N 2.98Å; E388-R391 VanDerWaalsContact O-N 3.16Å; E388-R391 IonicContact OE1-NE 2.71Å; E388-R391 IonicContact OE2-CZ 3.81Å; E388-R391 IonicContact OE2-NE 3.2Å; E388-R391 PolarHBondContact OE2-NE 3.3Å; E388-R391 IonicContact OE2-NH2 2.86Å; E388-R391 PolarHBondContact OE2-NH2 2.9Å; E388-R391 VanDerWaalsContact OE2-NH2 3.08Å; L389-R391 VanDerWaalsContact C-N 3.29Å; L389-R391 PolarHBondContact O-N 2.68Å; R391-K394 PolarHBondContact O-N 2.89Å; R391-K395 WeakPolarHBondContact O-CB 3.38Å; R391-K395 PolarHBondContact O-N 3.46Å; R391-E463 IonicContact CZ-OE1 3.62Å; R391-E463 IonicContact CZ-OE2 3.28Å; R391-E463 IonicContact NH1-OE1 3.4Å; R391-E463 PolarHBondContact NH1-OE1 3.4Å; R391-E463 IonicContact NH1-OE2 3.52Å; R391-E463 IonicContact NH2-OE1 2.71Å; R391-E463 IonicContact NH2-OE2 2.96Å; R391-E463 PolarHBondContact NH2-OE2 2.88Å
392	L	98.4	Very high	98.2	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-40.8	177.9	-69.5	-179.5	0	0	0	111.9	E388 L389 K394 K395 Y396 L400 I459 F462 E463 L466	E388-L392 WeakPolarHBondContact O-CG 3.37Å; E388-L392 PolarHBondContact O-N 2.9Å; L389-L392 PolarHBondContact O-N 3.26Å; L392-K394 VanDerWaalsContact C-N 3.34Å; L392-K394 PolarHBondContact O-N 3.48Å; L392-K395 PolarHBondContact O-N 2.87Å; L392-Y396 HydrophobicContact CD2-CD2 4.18Å; L392-Y396 HydrophobicContact CD2-CE2 3.94Å; L392-Y396 WeakPolarHBondContact O-CD2 3.42Å; L392-Y396 PolarHBondContact O-N 3Å; L392-L400 HydrophobicContact CB-CD1 3.99Å; L392-I459 HydrophobicContact CD1-CD1 4Å; L392-I459 HydrophobicContact CD1-CG2 4.33Å; L392-F462 HydrophobicContact CD1-CB 4.29Å; L392-F462 HydrophobicContact CD1-CD1 4.19Å; L392-F462 HydrophobicContact CD1-CG 4.24Å; L392-E463 HydrophobicContact CD2-CB 4.15Å; L392-E463 HydrophobicContact CD2-CG 4.06Å; L392-L466 HydrophobicContact CD1-CD1 4.45Å; L392-L466 HydrophobicContact CD2-CD1 4.34Å
393	E	97.8	Very high	98.2	Very high	35 Å²	35	51 Å²	51	16%	0.164	28%	0.278	C	S	.	.	H	α-helix	trans	-54.4	-48.5	172.6	171.3	174.6	-162.6	0	0	111.7	L389 K395 Y396 P397 N401 S402 A403	L389-E393 WeakPolarHBondContact O-CB 3.39Å; L389-E393 PolarHBondContact O-N 2.91Å; E393-K395 PolarHBondContact O-N 3.45Å; E393-Y396 CarbonylContact O-C 3.54Å; E393-P397 WeakPolarHBondContact O-CA 3.22Å; E393-N401 VanDerWaalsContact OE1-C 3.3Å; E393-N401 VanDerWaalsContact OE1-CA 3.29Å; E393-N401 WeakPolarHBondContact OE1-CA 3.44Å; E393-S402 PolarHBondContact OE1-N 3.29Å; E393-A403 HydrophobicContact CB-CB 4.47Å; E393-A403 WeakPolarHBondContact OE2-CB 3.24Å; E393-A403 PolarHBondContact OE2-N 3.22Å
394	K	97.5	Very high	98.2	Very high	175 Å²	175	48.3 Å²	48.3	76%	0.761	25%	0.253	S	S	*	.	H	α-helix	trans	-66.8	-35.1	178.2	-71.2	177.3	-178.9	-175	0	113.3	K390 R391 L392	K390-K394 WeakPolarHBondContact O-CG 3.11Å; K390-K394 PolarHBondContact O-N 2.86Å; R391-K394 PolarHBondContact O-N 2.89Å; L392-K394 VanDerWaalsContact C-N 3.34Å; L392-K394 PolarHBondContact O-N 3.48Å
395	K	98.2	Very high	98.2	Very high	113 Å²	113	46.2 Å²	46.2	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-78.1	-33.1	-178.9	-174.3	173.9	172	-171.3	0	112.5	R391 L392 E393 P397 E463	R391-K395 WeakPolarHBondContact O-CB 3.38Å; R391-K395 PolarHBondContact O-N 3.46Å; L392-K395 PolarHBondContact O-N 2.87Å; E393-K395 PolarHBondContact O-N 3.45Å; K395-P397 WeakPolarHBondContact O-CD 3.5Å; K395-E463 WeakPolarHBondContact CD-OE1 3.5Å; K395-E463 WeakPolarHBondContact CE-OE1 3.5Å; K395-E463 IonicContact NZ-OE1 2.75Å; K395-E463 PolarHBondContact NZ-OE1 3.36Å
396	Y	98.3	Very high	98.2	Very high	24 Å²	24	49.6 Å²	49.6	9%	0.094	26%	0.264	C	S	.	.			trans	-124.9	56.2	-176.2	-58.2	-83.8	0	0	0	112.3	L392 E393 A398 F399 L400 E463 L466 N467	L392-Y396 HydrophobicContact CD2-CD2 4.18Å; L392-Y396 HydrophobicContact CD2-CE2 3.94Å; L392-Y396 WeakPolarHBondContact O-CD2 3.42Å; L392-Y396 PolarHBondContact O-N 3Å; E393-Y396 CarbonylContact O-C 3.54Å; Y396-A398 PolarHBondContact O-N 2.85Å; Y396-A398 VanDerWaalsContact O-N 3.14Å; Y396-F399 HydrophobicContact CD1-CD2 4.36Å; Y396-F399 PolarHBondContact O-N 3.36Å; Y396-L400 PolarHBondContact O-N 2.92Å; Y396-E463 HydrophobicContact CE2-CG 3.97Å; Y396-E463 WeakPolarHBondContact OH-CG 3.41Å; Y396-L466 HydrophobicContact CD1-CB 4Å; Y396-L466 HydrophobicContact CD2-CB 4.3Å; Y396-L466 HydrophobicContact CD2-CD1 3.56Å; Y396-L466 HydrophobicContact CE1-CB 3.98Å; Y396-L466 HydrophobicContact CE2-CB 4.3Å; Y396-L466 HydrophobicContact CE2-CD1 3.97Å; Y396-L466 HydrophobicContact CG-CB 4.16Å; Y396-L466 HydrophobicContact CG-CD1 3.91Å; Y396-N467 WeakPolarHBondContact CE1-OD1 3.35Å; Y396-N467 PolarHBondContact OH-OD1 2.65Å
397	P	97.5	Very high	98.2	Very high	96 Å²	96	48.3 Å²	48.3	62%	0.623	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.7	-173.4	28.6	-36.6	0	0	0	113.4	E393 K395 F399	E393-P397 WeakPolarHBondContact O-CA 3.22Å; K395-P397 WeakPolarHBondContact O-CD 3.5Å; P397-F399 PolarHBondContact O-N 3.43Å
398	A	97.5	Very high	98.2	Very high	73 Å²	73	46.6 Å²	46.6	60%	0.603	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.8	173.3	0	0	0	0	0	112.9	Y396 C415	Y396-A398 PolarHBondContact O-N 2.85Å; Y396-A398 VanDerWaalsContact O-N 3.14Å; A398-C415 WeakPolarHBondContact O-CB 3.23Å; A398-C415 PolarHBondContact O-SG 3.13Å
399	F	98	Very high	98.2	Very high	50 Å²	50	44.2 Å²	44.2	22%	0.219	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-33.4	-176	-59.3	-53.9	0	0	0	113.1	Y396 P397 C414 C415 T419 L466 L469	Y396-F399 HydrophobicContact CD1-CD2 4.36Å; Y396-F399 PolarHBondContact O-N 3.36Å; P397-F399 PolarHBondContact O-N 3.43Å; F399-C414 CarbonylContact O-C 3.47Å; F399-C414 WeakPolarHBondContact O-CA 3.33Å; F399-C415 PolarHBondContact O-N 3.01Å; F399-T419 HydrophobicContact CD1-CG2 4.21Å; F399-L466 HydrophobicContact CB-CD2 4.04Å; F399-L466 HydrophobicContact CD2-CD2 4.19Å; F399-L466 HydrophobicContact CG-CD2 4.4Å; F399-L469 HydrophobicContact CD1-CD1 4.34Å; F399-L469 HydrophobicContact CE1-CB 4.06Å; F399-L469 HydrophobicContact CE1-CD1 4.44Å; F399-L469 HydrophobicContact CE2-CB 4.12Å; F399-L469 HydrophobicContact CG-CD1 4.45Å; F399-L469 HydrophobicContact CZ-CB 3.73Å
400	L	98.3	Very high	98.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.5	-168.5	-61.5	-177.6	0	0	0	111.7	L392 Y396 V412 T413 I423 F462 L466	L392-L400 HydrophobicContact CB-CD1 3.99Å; Y396-L400 PolarHBondContact O-N 2.92Å; L400-V412 HydrophobicContact CB-CG2 4Å; L400-V412 HydrophobicContact CD1-CG2 4.44Å; L400-V412 HydrophobicContact CD2-CG1 4.17Å; L400-V412 HydrophobicContact CD2-CG2 4.07Å; L400-V412 HydrophobicContact CG-CG2 4.4Å; L400-T413 WeakPolarHBondContact CA-O 3.42Å; L400-I423 HydrophobicContact CD2-CD1 4.43Å; L400-F462 HydrophobicContact CD1-CE1 4.18Å; L400-F462 HydrophobicContact CD2-CE1 4.42Å; L400-L466 HydrophobicContact CD1-CD1 3.72Å; L400-L466 HydrophobicContact CD1-CD2 4.23Å; L400-L466 HydrophobicContact CG-CD2 4.25Å
401	N	97.5	Very high	98.2	Very high	58 Å²	58	40.5 Å²	40.5	31%	0.31	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	169.8	169.8	64.6	75.9	0	0	0	111.2	E393 A403 V412 T413	E393-N401 VanDerWaalsContact OE1-C 3.3Å; E393-N401 VanDerWaalsContact OE1-CA 3.29Å; E393-N401 WeakPolarHBondContact OE1-CA 3.44Å; N401-A403 PolarHBondContact O-N 3.45Å; N401-V412 WeakPolarHBondContact O-CG2 3.42Å; N401-T413 PolarHBondContact N-O 3.39Å; N401-T413 WeakPolarHBondContact O-CA 3.41Å; N401-T413 WeakPolarHBondContact O-CB 3.34Å; N401-T413 PolarHBondContact O-N 3.24Å; N401-T413 WeakPolarHBondContact OD1-CB 3.44Å
402	S	97.5	Very high	98.2	Very high	24 Å²	24	36.4 Å²	36.4	17%	0.168	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	43.6	171	-49.5	0	0	0	0	114	E393 R404	E393-S402 PolarHBondContact OE1-N 3.29Å; S402-R404 PolarHBondContact O-N 3Å; S402-R404 PolarHBondContact O-NH1 2.99Å
403	A	98.4	Very high	98.2	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	127.6	173.1	0	0	0	0	0	110.3	L389 K390 E393 N401 V412	L389-A403 HydrophobicContact CB-CB 3.96Å; K390-A403 HydrophobicContact CG-CB 3.95Å; E393-A403 HydrophobicContact CB-CB 4.47Å; E393-A403 WeakPolarHBondContact OE2-CB 3.24Å; E393-A403 PolarHBondContact OE2-N 3.22Å; N401-A403 PolarHBondContact O-N 3.45Å; A403-V412 HydrophobicContact CB-CG2 4.33Å
404	R	98.5	Very high	98.3	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.045	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154	-170.3	63.1	-164	177.7	-83.2	4.8	111.9	Y223 G270 D271 S402 C410 A411 T413 S441	Y223-R404 HydrophobicContact CD1-CB 4.49Å; Y223-R404 HydrophobicContact CE1-CB 3.63Å; Y223-R404 VanDerWaalsContact OH-CD 3.31Å; Y223-R404 WeakPolarHBondContact OH-CD 3.33Å; G270-R404 PolarHBondContact O-NH2 3.14Å; D271-R404 WeakPolarHBondContact O-CD 3.3Å; D271-R404 PolarHBondContact O-NE 3.36Å; S402-R404 PolarHBondContact O-N 3Å; S402-R404 PolarHBondContact O-NH1 2.99Å; R404-C410 CarbonylContact O-C 3.55Å; R404-C410 VanDerWaalsContact O-CA 3.28Å; R404-C410 WeakPolarHBondContact O-CA 3.43Å; R404-A411 HydrophobicContact CG-CB 4.42Å; R404-A411 PolarHBondContact N-O 3.01Å; R404-A411 PolarHBondContact O-N 3.44Å; R404-T413 PolarHBondContact NH1-OG1 2.93Å; R404-T413 PolarHBondContact NH2-OG1 3.12Å; R404-S441 PolarHBondContact NH2-OG 3.46Å
405	G	98.3	Very high	98.3	Very high	18 Å²	18	29.6 Å²	29.6	19%	0.186	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.9	170.9	175.1	0	0	0	0	0	113.7	L386 F409	L386-G405 WeakPolarHBondContact CD2-O 3.41Å; G405-F409 VanDerWaalsContact CA-O 3.24Å; G405-F409 WeakPolarHBondContact CA-O 3.49Å
406	L	98.4	Very high	98.2	Very high	72 Å²	72	27.1 Å²	27.1	38%	0.377	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	137.7	168.2	-176.8	65.5	0	0	0	108.2	W273 T305 H313 F409	W273-L406 HydrophobicContact CH2-CB 3.43Å; W273-L406 VanDerWaalsContact CH2-CB 3.43Å; W273-L406 HydrophobicContact CZ2-CB 4.25Å; W273-L406 HydrophobicContact CZ3-CB 3.78Å; W273-L406 HydrophobicContact CZ3-CD2 4.42Å; T305-L406 WeakPolarHBondContact CA-O 3.33Å; H313-L406 WeakPolarHBondContact NE2-CD2 3.21Å; L406-F409 WeakPolarHBondContact O-CB 3.3Å; L406-F409 PolarHBondContact O-N 3.27Å
407	G	98.6	Very high	98.2	Very high	7 Å²	7	29 Å²	29	7%	0.072	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-147.3	-163.7	0	0	0	0	0	110.1	T378 G382 F409 C410	T378-G407 WeakPolarHBondContact O-CA 3.22Å; G382-G407 CarbonylContact C-O 3.18Å; G382-G407 WeakPolarHBondContact CA-O 3.29Å; G407-F409 PolarHBondContact O-N 3.48Å; G407-C410 PolarHBondContact O-SG 2.99Å; G407-C410 VanDerWaalsContact O-SG 3.39Å
408	T	98.7	Very high	98.2	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1	177	55.6	0	0	0	0	113.3	V304 T378 T381 C410 F444 P446	V304-T408 PolarHBondContact O-N 3.43Å; V304-T408 VanDerWaalsContact O-N 3.12Å; T378-T408 HydrophobicContact CG2-CG2 4.11Å; T381-T408 HydrophobicContact CG2-CG2 4.39Å; T408-C410 PolarHBondContact O-N 2.6Å; T408-F444 VanDerWaalsContact O-O 3.12Å; T408-P446 HydrophobicContact CG2-CG 3.99Å
409	F	98.8	Very high	98.3	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	67	176.6	-151.7	-86	0	0	0	110.8	V265 A267 W273 Q299 T300 V304 T305 G405 L406 G407	V265-F409 HydrophobicContact CB-CD1 4.42Å; V265-F409 HydrophobicContact CB-CE1 3.91Å; V265-F409 HydrophobicContact CG1-CD1 4.23Å; V265-F409 HydrophobicContact CG1-CE1 3.8Å; V265-F409 HydrophobicContact CG2-CE1 4.5Å; A267-F409 HydrophobicContact CB-CZ 4.19Å; W273-F409 HydrophobicContact CZ2-CD1 4.13Å; W273-F409 WeakPolarHBondContact CZ2-O 3.33Å; Q299-F409 HydrophobicContact CG-CE2 4.16Å; Q299-F409 HydrophobicContact CG-CZ 4.27Å; T300-F409 HydrophobicContact CG2-CE1 4.36Å; T300-F409 HydrophobicContact CG2-CE2 4.2Å; T300-F409 HydrophobicContact CG2-CZ 3.89Å; V304-F409 HydrophobicContact CB-CD2 4.07Å; V304-F409 HydrophobicContact CG2-CD2 3.59Å; V304-F409 HydrophobicContact CG2-CE2 4.16Å; V304-F409 HydrophobicContact CG2-CG 4.45Å; V304-F409 PolarHBondContact O-N 2.82Å; T305-F409 HydrophobicContact CG2-CB 4.23Å; G405-F409 VanDerWaalsContact CA-O 3.24Å; G405-F409 WeakPolarHBondContact CA-O 3.49Å; L406-F409 WeakPolarHBondContact O-CB 3.3Å; L406-F409 PolarHBondContact O-N 3.27Å; G407-F409 PolarHBondContact O-N 3.48Å
410	C	98.8	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	159.1	-175.4	-62.5	0	0	0	0	112.4	L385 L389 R404 G407 T408 R443 F444 R445	L385-C410 HydrophobicContact CD2-CB 3.89Å; L385-C410 HydrophobicContact CG-CB 4.18Å; L389-C410 HydrophobicContact CD1-CB 3.79Å; R404-C410 CarbonylContact O-C 3.55Å; R404-C410 VanDerWaalsContact O-CA 3.28Å; R404-C410 WeakPolarHBondContact O-CA 3.43Å; G407-C410 PolarHBondContact O-SG 2.99Å; G407-C410 VanDerWaalsContact O-SG 3.39Å; T408-C410 PolarHBondContact O-N 2.6Å; C410-R443 WeakPolarHBondContact O-CA 3.45Å; C410-F444 HydrophobicContact CB-CB 4.4Å; C410-F444 HydrophobicContact CB-CD2 4.19Å; C410-F444 PolarHBondContact O-N 2.91Å; C410-R445 PolarHBondContact O-NH1 3.16Å
411	A	98.8	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.7	170.4	0	0	0	0	0	111.9	D271 R404 I442 R443	D271-A411 HydrophobicContact CB-CB 3.53Å; D271-A411 WeakPolarHBondContact OD1-CB 3.25Å; R404-A411 HydrophobicContact CG-CB 4.42Å; R404-A411 PolarHBondContact N-O 3.01Å; R404-A411 PolarHBondContact O-N 3.44Å; A411-I442 CarbonylContact C-O 3.51Å; A411-I442 WeakPolarHBondContact CA-O 3.49Å; A411-I442 VanDerWaalsContact CB-O 3.3Å; A411-I442 WeakPolarHBondContact CB-O 3.05Å; A411-R443 HydrophobicContact CB-CB 4.34Å
412	V	98.7	Very high	98.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146	169.4	66.1	0	0	0	0	108.9	L389 L400 N401 A403 S441 I442 F462	L389-V412 HydrophobicContact CD2-CG1 4.37Å; L400-V412 HydrophobicContact CB-CG2 4Å; L400-V412 HydrophobicContact CD1-CG2 4.44Å; L400-V412 HydrophobicContact CD2-CG1 4.17Å; L400-V412 HydrophobicContact CD2-CG2 4.07Å; L400-V412 HydrophobicContact CG-CG2 4.4Å; N401-V412 WeakPolarHBondContact O-CG2 3.42Å; A403-V412 HydrophobicContact CB-CG2 4.33Å; V412-S441 WeakPolarHBondContact O-CA 3.4Å; V412-I442 HydrophobicContact CG1-CB 4.35Å; V412-I442 PolarHBondContact N-O 3.33Å; V412-I442 PolarHBondContact O-N 3.02Å; V412-F462 HydrophobicContact CG1-CZ 4.32Å
413	T	98.5	Very high	98.3	Very high	18 Å²	18	28.6 Å²	28.6	11%	0.11	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.2	179.8	-62	0	0	0	0	109.6	L400 N401 R404 Q440 S441	L400-T413 WeakPolarHBondContact CA-O 3.42Å; N401-T413 PolarHBondContact N-O 3.39Å; N401-T413 WeakPolarHBondContact O-CA 3.41Å; N401-T413 WeakPolarHBondContact O-CB 3.34Å; N401-T413 PolarHBondContact O-N 3.24Å; N401-T413 WeakPolarHBondContact OD1-CB 3.44Å; R404-T413 PolarHBondContact NH1-OG1 2.93Å; R404-T413 PolarHBondContact NH2-OG1 3.12Å; T413-Q440 HydrophobicContact CG2-CG 3.8Å; T413-S441 PolarHBondContact OG1-OG 3.28Å; T413-S441 VanDerWaalsContact OG1-OG 3.06Å
414	C	98.6	Very high	98.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	161.7	171.5	-58.1	0	0	0	0	110.5	F399 D416 T419 R420 Q440	F399-C414 CarbonylContact O-C 3.47Å; F399-C414 WeakPolarHBondContact O-CA 3.33Å; C414-D416 VanDerWaalsContact C-N 3.26Å; C414-D416 PolarHBondContact O-N 2.99Å; C414-T419 HydrophobicContact CB-CG2 4.31Å; C414-R420 HydrophobicContact CB-CB 3.93Å; C414-Q440 VanDerWaalsContact CB-O 3.31Å; C414-Q440 WeakPolarHBondContact CB-O 3.47Å; C414-Q440 PolarHBondContact N-O 3.45Å; C414-Q440 VanDerWaalsContact O-CD 3.24Å; C414-Q440 WeakPolarHBondContact O-CG 3.21Å; C414-Q440 PolarHBondContact O-NE2 3.48Å
415	C	97.3	Very high	98.3	Very high	49 Å²	49	31.9 Å²	31.9	33%	0.331	18%	0.183	S	C	.	.	S	Bend	trans	-62	-32.4	176.2	54.2	0	0	0	0	113.3	A398 F399 T419 Q440	A398-C415 WeakPolarHBondContact O-CB 3.23Å; A398-C415 PolarHBondContact O-SG 3.13Å; F399-C415 PolarHBondContact O-N 3.01Å; C415-T419 PolarHBondContact SG-OG1 3.34Å; C415-Q440 PolarHBondContact O-NE2 3.01Å
416	D	97.8	Very high	98.3	Very high	61 Å²	61	34.7 Å²	34.7	33%	0.326	19%	0.191	S	C	.	.	S	Bend	trans	-154.9	171.8	177.7	68.2	70.2	0	0	0	112.6	C414 S418 T419 R420	C414-D416 VanDerWaalsContact C-N 3.26Å; C414-D416 PolarHBondContact O-N 2.99Å; D416-S418 VanDerWaalsContact OD1-CA 3.28Å; D416-S418 WeakPolarHBondContact OD1-CA 3.28Å; D416-S418 WeakPolarHBondContact OD1-CB 3.45Å; D416-S418 PolarHBondContact OD1-N 2.84Å; D416-T419 PolarHBondContact OD1-N 2.87Å; D416-T419 PolarHBondContact OD1-OG1 3.31Å; D416-T419 PolarHBondContact OD2-OG1 3.29Å; D416-R420 PolarHBondContact O-N 3.35Å; D416-R420 VanDerWaalsContact O-N 3.07Å
417	V	97.7	Very high	98.3	Very high	62 Å²	62	31.3 Å²	31.3	38%	0.376	17%	0.173	S	C	.	.	H	α-helix	trans	-64.6	-38	-179.4	-177.4	0	0	0	0	112.8	R420 N421 E439 Q440	V417-R420 PolarHBondContact O-N 3.39Å; V417-N421 WeakPolarHBondContact O-CB 3.39Å; V417-N421 PolarHBondContact O-N 2.98Å; V417-N421 PolarHBondContact O-OD1 3.18Å; V417-E439 HydrophobicContact CG2-CB 4.35Å; V417-Q440 HydrophobicContact CG2-CB 4.32Å
418	S	97.9	Very high	98.3	Very high	64 Å²	64	32 Å²	32	45%	0.448	17%	0.174	S	C	.	.	H	α-helix	trans	-65.9	-47.2	-179.4	-174.9	0	0	0	0	110.3	D416 R420 N421 K422	D416-S418 VanDerWaalsContact OD1-CA 3.28Å; D416-S418 WeakPolarHBondContact OD1-CA 3.28Å; D416-S418 WeakPolarHBondContact OD1-CB 3.45Å; D416-S418 PolarHBondContact OD1-N 2.84Å; S418-R420 PolarHBondContact O-N 3.34Å; S418-N421 PolarHBondContact O-N 2.65Å; S418-K422 WeakPolarHBondContact O-CB 3.48Å; S418-K422 WeakPolarHBondContact O-CG 3.31Å; S418-K422 PolarHBondContact O-N 2.9Å
419	T	98.1	Very high	98.2	Very high	14 Å²	14	34.6 Å²	34.6	9%	0.086	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-45.9	174.6	-62.1	0	0	0	0	110.9	F399 C414 C415 D416 N421 K422 I423 L469	F399-T419 HydrophobicContact CD1-CG2 4.21Å; C414-T419 HydrophobicContact CB-CG2 4.31Å; C415-T419 PolarHBondContact SG-OG1 3.34Å; D416-T419 PolarHBondContact OD1-N 2.87Å; D416-T419 PolarHBondContact OD1-OG1 3.31Å; D416-T419 PolarHBondContact OD2-OG1 3.29Å; T419-N421 PolarHBondContact O-N 3.36Å; T419-K422 PolarHBondContact O-N 2.62Å; T419-I423 HydrophobicContact CG2-CD1 3.95Å; T419-I423 WeakPolarHBondContact O-CG1 3.32Å; T419-I423 PolarHBondContact O-N 3.43Å; T419-L469 HydrophobicContact CG2-CD1 4.28Å
420	R	98.4	Very high	98.2	Very high	24 Å²	24	37.9 Å²	37.9	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-55.6	-50.1	173.8	-171.2	-80.5	-58.6	-75.9	-7	111.9	C414 D416 V417 S418 I423 I424 C437 E439 S441 I442	C414-R420 HydrophobicContact CB-CB 3.93Å; D416-R420 PolarHBondContact O-N 3.35Å; D416-R420 VanDerWaalsContact O-N 3.07Å; V417-R420 PolarHBondContact O-N 3.39Å; S418-R420 PolarHBondContact O-N 3.34Å; R420-I423 PolarHBondContact O-N 3.44Å; R420-I424 VanDerWaalsContact CD-CD1 3.41Å; R420-I424 PolarHBondContact O-N 3.18Å; R420-C437 PolarHBondContact NH1-O 3.23Å; R420-E439 PolarHBondContact NH1-O 2.64Å; R420-E439 PolarHBondContact NH2-O 2.89Å; R420-S441 PolarHBondContact NH1-O 2.89Å; R420-I442 HydrophobicContact CG-CG1 3.83Å
421	N	97.7	Very high	98.2	Very high	78 Å²	78	37.9 Å²	37.9	42%	0.417	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-40.8	-178.2	-68.7	-7.9	0	0	0	111.7	V417 S418 T419 T425	V417-N421 WeakPolarHBondContact O-CB 3.39Å; V417-N421 PolarHBondContact O-N 2.98Å; V417-N421 PolarHBondContact O-OD1 3.18Å; S418-N421 PolarHBondContact O-N 2.65Å; T419-N421 PolarHBondContact O-N 3.36Å; N421-T425 WeakPolarHBondContact O-CB 3.34Å; N421-T425 PolarHBondContact O-N 3.11Å; N421-T425 PolarHBondContact O-OG1 2.86Å
422	K	98.1	Very high	98.2	Very high	114 Å²	114	37.9 Å²	37.9	50%	0.496	20%	0.198	S	C	.	.	H	α-helix	trans	-60.3	-48.5	175	-74.9	176.2	-177.3	179.3	0	111.2	S418 T419 T425 Q426 L469	S418-K422 WeakPolarHBondContact O-CB 3.48Å; S418-K422 WeakPolarHBondContact O-CG 3.31Å; S418-K422 PolarHBondContact O-N 2.9Å; T419-K422 PolarHBondContact O-N 2.62Å; K422-T425 PolarHBondContact O-N 2.84Å; K422-Q426 VanDerWaalsContact O-CB 3.29Å; K422-Q426 WeakPolarHBondContact O-CB 3.38Å; K422-Q426 VanDerWaalsContact O-CG 3.28Å; K422-Q426 WeakPolarHBondContact O-CG 3.25Å; K422-Q426 PolarHBondContact O-N 3.32Å; K422-L469 HydrophobicContact CB-CD2 4.27Å; K422-L469 HydrophobicContact CD-CD2 4.42Å
423	I	98.6	Very high	98.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-50.3	179.5	-67.3	167.9	0	0	0	110.9	L400 T419 R420 T425 Q426 I427 I442 F462 V465 L466 L469	L400-I423 HydrophobicContact CD2-CD1 4.43Å; T419-I423 HydrophobicContact CG2-CD1 3.95Å; T419-I423 WeakPolarHBondContact O-CG1 3.32Å; T419-I423 PolarHBondContact O-N 3.43Å; R420-I423 PolarHBondContact O-N 3.44Å; I423-T425 VanDerWaalsContact C-N 3.29Å; I423-T425 PolarHBondContact O-N 2.85Å; I423-Q426 PolarHBondContact O-N 2.95Å; I423-I427 WeakPolarHBondContact O-CB 3.38Å; I423-I427 WeakPolarHBondContact O-CG2 3.5Å; I423-I427 PolarHBondContact O-N 3.29Å; I423-I442 HydrophobicContact CB-CD1 3.81Å; I423-I442 HydrophobicContact CD1-CD1 4.27Å; I423-I442 HydrophobicContact CG2-CD1 3.42Å; I423-I442 VanDerWaalsContact CG2-CD1 3.42Å; I423-F462 HydrophobicContact CD1-CE1 4.46Å; I423-F462 HydrophobicContact CG2-CE1 3.85Å; I423-F462 HydrophobicContact CG2-CE2 4.4Å; I423-F462 HydrophobicContact CG2-CZ 3.8Å; I423-V465 HydrophobicContact CB-CG1 4.31Å; I423-V465 HydrophobicContact CG1-CG1 4.15Å; I423-V465 HydrophobicContact CG2-CG1 4.21Å; I423-L466 HydrophobicContact CD1-CD2 3.98Å; I423-L469 HydrophobicContact CD1-CD1 4.05Å; I423-L469 HydrophobicContact CG1-CD1 3.73Å
424	I	98.3	Very high	98.2	Very high	17 Å²	17	37.8 Å²	37.8	9%	0.087	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-41.7	178.9	-71.9	-175.8	0	0	0	111.5	R420 R428 I442	R420-I424 VanDerWaalsContact CD-CD1 3.41Å; R420-I424 PolarHBondContact O-N 3.18Å; I424-R428 WeakPolarHBondContact O-CB 3.29Å; I424-R428 PolarHBondContact O-N 2.96Å; I424-I442 HydrophobicContact CD1-CG1 4.33Å; I424-I442 HydrophobicContact CG1-CD1 4.29Å; I424-I442 HydrophobicContact CG1-CG1 4.14Å
425	T	97.8	Very high	98.1	Very high	67 Å²	67	38 Å²	38	41%	0.411	20%	0.198	S	C	.	.	H	α-helix	trans	-66.3	-48	179.7	-57.3	0	0	0	0	111	N421 K422 I423 R428 Q429	N421-T425 WeakPolarHBondContact O-CB 3.34Å; N421-T425 PolarHBondContact O-N 3.11Å; N421-T425 PolarHBondContact O-OG1 2.86Å; K422-T425 PolarHBondContact O-N 2.84Å; I423-T425 VanDerWaalsContact C-N 3.29Å; I423-T425 PolarHBondContact O-N 2.85Å; T425-R428 PolarHBondContact O-N 3.27Å; T425-Q429 WeakPolarHBondContact O-CG 3.02Å; T425-Q429 PolarHBondContact O-N 3.21Å
426	Q	98.3	Very high	98.2	Very high	78 Å²	78	36.5 Å²	36.5	36%	0.364	19%	0.192	S	C	.	.	H	α-helix	trans	-70.2	-37.6	-176.5	-74.5	-69.4	-14	0	0	113.1	K422 I423 R428 Q429 R430 V465	K422-Q426 VanDerWaalsContact O-CB 3.29Å; K422-Q426 WeakPolarHBondContact O-CB 3.38Å; K422-Q426 VanDerWaalsContact O-CG 3.28Å; K422-Q426 WeakPolarHBondContact O-CG 3.25Å; K422-Q426 PolarHBondContact O-N 3.32Å; I423-Q426 PolarHBondContact O-N 2.95Å; Q426-R428 VanDerWaalsContact C-N 3.29Å; Q426-R428 PolarHBondContact O-N 3.48Å; Q426-Q429 PolarHBondContact O-N 2.56Å; Q426-R430 PolarHBondContact O-N 3.44Å; Q426-R430 PolarHBondContact O-NH1 2.85Å; Q426-V465 HydrophobicContact CB-CB 4.48Å; Q426-V465 HydrophobicContact CB-CG1 3.74Å; Q426-V465 HydrophobicContact CB-CG2 3.88Å
427	I	98.4	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.7	-30.7	177.9	-149.4	-172.8	0	0	0	111.1	I423 R430 G431 V432 L434 R461 F462 V465	I423-I427 WeakPolarHBondContact O-CB 3.38Å; I423-I427 WeakPolarHBondContact O-CG2 3.5Å; I423-I427 PolarHBondContact O-N 3.29Å; I427-R430 CarbonylContact O-C 3.56Å; I427-R430 WeakPolarHBondContact O-CA 3.44Å; I427-R430 PolarHBondContact O-N 3.18Å; I427-R430 VanDerWaalsContact O-N 3.1Å; I427-G431 PolarHBondContact O-N 2.86Å; I427-V432 CarbonylContact C-O 3.48Å; I427-V432 HydrophobicContact CD1-CB 4.06Å; I427-V432 HydrophobicContact CD1-CG1 4.11Å; I427-V432 HydrophobicContact CG1-CB 4Å; I427-V432 HydrophobicContact CG1-CG2 4.45Å; I427-V432 PolarHBondContact O-N 2.89Å; I427-L434 HydrophobicContact CD1-CD1 3.71Å; I427-L434 HydrophobicContact CD1-CG 4.46Å; I427-L434 HydrophobicContact CG2-CD1 4.18Å; I427-L434 HydrophobicContact CG2-CG 4.35Å; I427-R461 HydrophobicContact CG1-CB 4.29Å; I427-F462 HydrophobicContact CD1-CB 3.99Å; I427-F462 HydrophobicContact CD1-CD2 3.86Å; I427-F462 HydrophobicContact CD1-CG 4.11Å; I427-V465 HydrophobicContact CB-CG2 4.07Å; I427-V465 HydrophobicContact CG1-CG2 4.25Å
428	R	98.4	Very high	98	Very high	21 Å²	21	31.1 Å²	31.1	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-40.8	172.2	-165.6	-178.1	-58.7	124	-6.2	112.3	I20 L63 I424 T425 Q426 R430 G431 V432	I20-R428 HydrophobicContact CB-CG 4.31Å; I20-R428 HydrophobicContact CD1-CG 4.26Å; I20-R428 HydrophobicContact CG2-CG 4.03Å; L63-R428 HydrophobicContact CD2-CG 3.72Å; I424-R428 WeakPolarHBondContact O-CB 3.29Å; I424-R428 PolarHBondContact O-N 2.96Å; T425-R428 PolarHBondContact O-N 3.27Å; Q426-R428 VanDerWaalsContact C-N 3.29Å; Q426-R428 PolarHBondContact O-N 3.48Å; R428-R430 PolarHBondContact O-N 3.14Å; R428-G431 PolarHBondContact O-N 3.29Å; R428-V432 WeakPolarHBondContact CA-O 3.5Å; R428-V432 PolarHBondContact N-O 2.86Å
429	Q	98.2	Very high	97.8	Very high	58 Å²	58	35.3 Å²	35.3	27%	0.271	18%	0.176	S	C	.	.	H	α-helix	trans	-61.8	-22.8	172.5	-58.1	-47.3	-46	0	0	112.7	S19 I20 T425 Q426 G431	S19-Q429 VanDerWaalsContact CA-OE1 3.25Å; I20-Q429 PolarHBondContact O-NE2 2.96Å; T425-Q429 WeakPolarHBondContact O-CG 3.02Å; T425-Q429 PolarHBondContact O-N 3.21Å; Q426-Q429 PolarHBondContact O-N 2.56Å; Q429-G431 VanDerWaalsContact C-N 3.33Å
430	R	98	Very high	97.8	Very high	71 Å²	71	37.2 Å²	37.2	27%	0.268	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7.5	175.1	-66.8	170	179.1	71.9	-8.1	113.1	Q426 I427 R428 R461	Q426-R430 PolarHBondContact O-N 3.44Å; Q426-R430 PolarHBondContact O-NH1 2.85Å; I427-R430 CarbonylContact O-C 3.56Å; I427-R430 WeakPolarHBondContact O-CA 3.44Å; I427-R430 PolarHBondContact O-N 3.18Å; I427-R430 VanDerWaalsContact O-N 3.1Å; R428-R430 PolarHBondContact O-N 3.14Å; R430-R461 HydrophobicContact CB-CB 4.39Å; R430-R461 HydrophobicContact CB-CG 4.28Å; R430-R461 WeakPolarHBondContact O-CD 3.42Å; R430-R461 PolarHBondContact O-NE 3.48Å
431	G	98.3	Very high	97.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	25.2	173.4	0	0	0	0	0	115.5	P14 M16 L63 L64 I427 R428 Q429	P14-G431 VanDerWaalsContact CB-O 3.32Å; P14-G431 WeakPolarHBondContact CB-O 3.16Å; P14-G431 WeakPolarHBondContact CG-O 3.35Å; M16-G431 WeakPolarHBondContact SD-CA 3.29Å; L63-G431 CarbonylContact C-O 3.58Å; L63-G431 VanDerWaalsContact CA-O 3.22Å; L63-G431 WeakPolarHBondContact CA-O 3.14Å; L64-G431 PolarHBondContact N-O 3.2Å; I427-G431 PolarHBondContact O-N 2.86Å; R428-G431 PolarHBondContact O-N 3.29Å; Q429-G431 VanDerWaalsContact C-N 3.33Å
432	V	98.7	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.4	171.7	-178.4	0	0	0	0	110.1	L64 I427 R428 L434 I458 R461	L64-V432 CarbonylContact O-C 3.52Å; L64-V432 WeakPolarHBondContact O-CA 3.32Å; I427-V432 CarbonylContact C-O 3.48Å; I427-V432 HydrophobicContact CD1-CB 4.06Å; I427-V432 HydrophobicContact CD1-CG1 4.11Å; I427-V432 HydrophobicContact CG1-CB 4Å; I427-V432 HydrophobicContact CG1-CG2 4.45Å; I427-V432 PolarHBondContact O-N 2.89Å; R428-V432 WeakPolarHBondContact CA-O 3.5Å; R428-V432 PolarHBondContact N-O 2.86Å; V432-L434 HydrophobicContact CG1-CD2 3.98Å; V432-L434 HydrophobicContact CG1-CG 3.91Å; V432-I458 HydrophobicContact CG1-CD1 3.95Å; V432-I458 HydrophobicContact CG1-CG1 3.78Å; V432-I458 HydrophobicContact CG1-CG2 4.36Å; V432-I458 HydrophobicContact CG2-CG1 4.27Å; V432-R461 HydrophobicContact CG2-CB 4.31Å; V432-R461 VanDerWaalsContact CG2-CD 3.41Å
433	N	98.6	Very high	97.9	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.064	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.1	174.9	-171.4	51.4	0	0	0	110.7	L63 L64 D65 A66 Y67	L63-N433 HydrophobicContact CD2-CB 4.21Å; L64-N433 PolarHBondContact O-N 3.23Å; D65-N433 HydrophobicContact CB-CB 4.46Å; D65-N433 PolarHBondContact OD1-ND2 3.31Å; A66-N433 CarbonylContact C-O 3.59Å; A66-N433 PolarHBondContact N-O 3.3Å; Y67-N433 PolarHBondContact N-O 2.95Å
434	L	98.5	Very high	97.9	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	14%	0.139	C	C	.	.			trans	-122.2	156.6	176.5	-62.2	-176.7	0	0	0	111.2	A66 I427 V432 I442 F444 I458 F462	A66-L434 HydrophobicContact CB-CD2 3.79Å; I427-L434 HydrophobicContact CD1-CD1 3.71Å; I427-L434 HydrophobicContact CD1-CG 4.46Å; I427-L434 HydrophobicContact CG2-CD1 4.18Å; I427-L434 HydrophobicContact CG2-CG 4.35Å; V432-L434 HydrophobicContact CG1-CD2 3.98Å; V432-L434 HydrophobicContact CG1-CG 3.91Å; L434-I442 HydrophobicContact CB-CG2 4.12Å; L434-I442 HydrophobicContact CD1-CG2 3.81Å; L434-F444 HydrophobicContact CD1-CE1 3.82Å; L434-F444 HydrophobicContact CD1-CZ 4.08Å; L434-F444 HydrophobicContact CD2-CD1 3.65Å; L434-F444 HydrophobicContact CD2-CE1 3.6Å; L434-F444 HydrophobicContact CG-CE1 4.4Å; L434-I458 HydrophobicContact CD2-CD1 4.43Å; L434-F462 HydrophobicContact CD1-CD2 4.13Å; L434-F462 HydrophobicContact CD1-CE2 4.04Å
435	G	97.7	Very high	97.9	Very high	3 Å²	3	26.8 Å²	26.8	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	149.6	176.4	0	0	0	0	0	112.8	R443	G435-R443 PolarHBondContact N-O 3.45Å; G435-R443 VanDerWaalsContact O-CG 3.25Å; G435-R443 WeakPolarHBondContact O-CG 3.26Å; G435-R443 PolarHBondContact O-N 3.3Å
436	G	97.9	Very high	97.9	Very high	19 Å²	19	23.7 Å²	23.7	20%	0.196	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	149.9	164.6	0	0	0	0	0	111.6	S441 R443	G436-S441 VanDerWaalsContact CA-O 3.31Å; G436-S441 WeakPolarHBondContact CA-O 3.44Å; G436-R443 PolarHBondContact O-NE 3.37Å; G436-R443 PolarHBondContact O-NH2 3.47Å
437	C	97.9	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	163.4	170	56.6	0	0	0	0	111.3	A267 D271 R420 S441 R443	A267-C437 WeakPolarHBondContact O-CB 3.33Å; D271-C437 PolarHBondContact OD2-SG 2.91Å; R420-C437 PolarHBondContact NH1-O 3.23Å; C437-S441 PolarHBondContact N-O 3.04Å; C437-S441 PolarHBondContact O-N 3.16Å; C437-S441 VanDerWaalsContact O-N 3.11Å; C437-S441 VanDerWaalsContact SG-CB 3.56Å; C437-R443 HydrophobicContact CB-CG 4.17Å
438	G	95.2	Very high	97.9	Very high	9 Å²	9	20 Å²	20	9%	0.093	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-145.7	-172.8	0	0	0	0	0	111.5	E268 G269	E268-G438 PolarHBondContact O-N 2.94Å; G269-G438 WeakPolarHBondContact O-CA 3.19Å
439	E	93	Very high	97.9	Very high	153 Å²	153	19.7 Å²	19.7	72%	0.715	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-51.4	175.3	-63.8	-175.1	171.2	0	0	111	V417 R420	V417-E439 HydrophobicContact CG2-CB 4.35Å; R420-E439 PolarHBondContact NH1-O 2.64Å; R420-E439 PolarHBondContact NH2-O 2.89Å
440	Q	97.2	Very high	97.9	Very high	53 Å²	53	17 Å²	17	25%	0.248	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.5	21.1	-165.9	69.6	-167.4	31.7	0	0	115.4	T413 C414 C415 V417	T413-Q440 HydrophobicContact CG2-CG 3.8Å; C414-Q440 VanDerWaalsContact CB-O 3.31Å; C414-Q440 WeakPolarHBondContact CB-O 3.47Å; C414-Q440 PolarHBondContact N-O 3.45Å; C414-Q440 VanDerWaalsContact O-CD 3.24Å; C414-Q440 WeakPolarHBondContact O-CG 3.21Å; C414-Q440 PolarHBondContact O-NE2 3.48Å; C415-Q440 PolarHBondContact O-NE2 3.01Å; V417-Q440 HydrophobicContact CG2-CB 4.32Å
441	S	98.6	Very high	97.8	Very high	7 Å²	7	15.2 Å²	15.2	5%	0.049	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	152.6	176.8	-61.8	0	0	0	0	112.9	R404 V412 T413 R420 G436 C437	R404-S441 PolarHBondContact NH2-OG 3.46Å; V412-S441 WeakPolarHBondContact O-CA 3.4Å; T413-S441 PolarHBondContact OG1-OG 3.28Å; T413-S441 VanDerWaalsContact OG1-OG 3.06Å; R420-S441 PolarHBondContact NH1-O 2.89Å; G436-S441 VanDerWaalsContact CA-O 3.31Å; G436-S441 WeakPolarHBondContact CA-O 3.44Å; C437-S441 PolarHBondContact N-O 3.04Å; C437-S441 PolarHBondContact O-N 3.16Å; C437-S441 VanDerWaalsContact O-N 3.11Å; C437-S441 VanDerWaalsContact SG-CB 3.56Å
442	I	98.8	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.6	169	-59.5	175.4	0	0	0	107.5	A411 V412 R420 I423 I424 L434 F444 F462	A411-I442 CarbonylContact C-O 3.51Å; A411-I442 WeakPolarHBondContact CA-O 3.49Å; A411-I442 VanDerWaalsContact CB-O 3.3Å; A411-I442 WeakPolarHBondContact CB-O 3.05Å; V412-I442 HydrophobicContact CG1-CB 4.35Å; V412-I442 PolarHBondContact N-O 3.33Å; V412-I442 PolarHBondContact O-N 3.02Å; R420-I442 HydrophobicContact CG-CG1 3.83Å; I423-I442 HydrophobicContact CB-CD1 3.81Å; I423-I442 HydrophobicContact CD1-CD1 4.27Å; I423-I442 HydrophobicContact CG2-CD1 3.42Å; I423-I442 VanDerWaalsContact CG2-CD1 3.42Å; I424-I442 HydrophobicContact CD1-CG1 4.33Å; I424-I442 HydrophobicContact CG1-CD1 4.29Å; I424-I442 HydrophobicContact CG1-CG1 4.14Å; L434-I442 HydrophobicContact CB-CG2 4.12Å; L434-I442 HydrophobicContact CD1-CG2 3.81Å; I442-F444 HydrophobicContact CG2-CE2 4.46Å; I442-F444 HydrophobicContact CG2-CZ 4.49Å; I442-F462 HydrophobicContact CD1-CE2 4.33Å; I442-F462 HydrophobicContact CD1-CZ 3.85Å; I442-F462 HydrophobicContact CG2-CE2 4.37Å
443	R	98.8	Very high	97.4	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.2	-175.4	54.1	170.1	165	-174.3	-5.1	112.4	Y67 E268 C410 A411 G435 G436 C437	Y67-R443 PolarHBondContact OH-NH2 2.99Å; E268-R443 VanDerWaalsContact CD-NH1 3.33Å; E268-R443 IonicContact OE1-CZ 3.48Å; E268-R443 IonicContact OE1-NH1 2.73Å; E268-R443 PolarHBondContact OE1-NH1 2.98Å; E268-R443 IonicContact OE1-NH2 3.62Å; E268-R443 PolarHBondContact OE1-NH2 3.04Å; E268-R443 IonicContact OE2-CZ 2.73Å; E268-R443 IonicContact OE2-NH1 3.8Å; E268-R443 IonicContact OE2-NH2 3.2Å; E268-R443 PolarHBondContact OE2-NH2 3.34Å; C410-R443 WeakPolarHBondContact O-CA 3.45Å; A411-R443 HydrophobicContact CB-CB 4.34Å; G435-R443 PolarHBondContact N-O 3.45Å; G435-R443 VanDerWaalsContact O-CG 3.25Å; G435-R443 WeakPolarHBondContact O-CG 3.26Å; G435-R443 PolarHBondContact O-N 3.3Å; G436-R443 PolarHBondContact O-NE 3.37Å; G436-R443 PolarHBondContact O-NH2 3.47Å; C437-R443 HydrophobicContact CB-CG 4.17Å
444	F	98.8	Very high	97.4	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.3	179	-57.8	-95.7	0	0	0	108.6	A66 L385 L389 T408 C410 L434 I442 I458 F462	A66-F444 HydrophobicContact CB-CD1 4.47Å; L385-F444 HydrophobicContact CD1-CD1 4.18Å; L385-F444 HydrophobicContact CD1-CE1 4.3Å; L385-F444 HydrophobicContact CD1-CG 4.45Å; L385-F444 HydrophobicContact CD2-CB 3.82Å; L385-F444 HydrophobicContact CD2-CD1 4.27Å; L385-F444 HydrophobicContact CD2-CG 3.98Å; L389-F444 HydrophobicContact CD1-CD2 3.93Å; L389-F444 HydrophobicContact CD1-CE2 3.63Å; L389-F444 HydrophobicContact CD1-CZ 4.33Å; L389-F444 HydrophobicContact CD2-CE2 3.72Å; L389-F444 HydrophobicContact CD2-CZ 3.72Å; L389-F444 HydrophobicContact CG-CE2 4.29Å; T408-F444 VanDerWaalsContact O-O 3.12Å; C410-F444 HydrophobicContact CB-CB 4.4Å; C410-F444 HydrophobicContact CB-CD2 4.19Å; C410-F444 PolarHBondContact O-N 2.91Å; L434-F444 HydrophobicContact CD1-CE1 3.82Å; L434-F444 HydrophobicContact CD1-CZ 4.08Å; L434-F444 HydrophobicContact CD2-CD1 3.65Å; L434-F444 HydrophobicContact CD2-CE1 3.6Å; L434-F444 HydrophobicContact CG-CE1 4.4Å; I442-F444 HydrophobicContact CG2-CE2 4.46Å; I442-F444 HydrophobicContact CG2-CZ 4.49Å; F444-I458 HydrophobicContact CE1-CG2 3.89Å; F444-F462 HydrophobicContact CZ-CD2 4.23Å; F444-F462 AromaticContact CZ-CE2 3.94Å; F444-F462 HydrophobicContact CZ-CE2 3.94Å
445	R	98.9	Very high	97.4	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.011	11%	0.112	C	C	.	.			trans	-137.8	60.5	179.9	-60.8	-62.1	-177.3	-89.6	-4.5	109.4	A66 Y67 T68 D271 C410	A66-R445 CarbonylContact C-O 3.35Å; A66-R445 CarbonylContact O-C 3.58Å; A66-R445 VanDerWaalsContact O-C 3.3Å; A66-R445 WeakPolarHBondContact O-CA 3.23Å; A66-R445 PolarHBondContact O-N 2.81Å; Y67-R445 CarbonylContact C-O 3.43Å; T68-R445 WeakPolarHBondContact CB-O 3.32Å; T68-R445 WeakPolarHBondContact CG2-O 3.39Å; T68-R445 PolarHBondContact OG1-O 3.02Å; D271-R445 IonicContact OD1-CZ 2.65Å; D271-R445 VanDerWaalsContact OD1-CZ 3.28Å; D271-R445 IonicContact OD1-NH1 2.86Å; D271-R445 PolarHBondContact OD1-NH1 3.21Å; D271-R445 IonicContact OD1-NH2 3.12Å; D271-R445 PolarHBondContact OD1-NH2 3.29Å; D271-R445 IonicContact OD2-CZ 3.84Å; D271-R445 IonicContact OD2-NH2 3.83Å; D271-R445 PolarHBondContact OD2-NH2 2.9Å; C410-R445 PolarHBondContact O-NH1 3.16Å
446	P	98.6	Very high	97.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.013	14%	0.138	C	C	.	.			trans	-71.1	174.8	178.6	33.3	-36.8	0	0	0	112	A66 K328 T408 F450	A66-P446 HydrophobicContact CB-CB 4.22Å; K328-P446 PolarHBondContact NZ-O 3.05Å; T408-P446 HydrophobicContact CG2-CG 3.99Å; P446-F450 HydrophobicContact CB-CB 3.61Å; P446-F450 HydrophobicContact CB-CD1 3.99Å; P446-F450 HydrophobicContact CB-CD2 3.43Å; P446-F450 VanDerWaalsContact CB-CD2 3.43Å; P446-F450 HydrophobicContact CB-CE2 4.01Å; P446-F450 HydrophobicContact CB-CG 3.42Å; P446-F450 VanDerWaalsContact CB-CG 3.42Å; P446-F450 HydrophobicContact CG-CB 4.05Å; P446-F450 HydrophobicContact CG-CD1 4Å; P446-F450 HydrophobicContact CG-CD2 4.33Å; P446-F450 HydrophobicContact CG-CG 3.89Å
447	A	98.4	Very high	97.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.135	C	C	.	.			trans	-74.1	163.1	168.2	0	0	0	0	0	109.8	T68 I449 F450	T68-A447 HydrophobicContact CG2-CB 4.21Å; A447-I449 HydrophobicContact CB-CG1 3.82Å; A447-I449 PolarHBondContact O-N 3.08Å; A447-F450 WeakPolarHBondContact O-CB 3.43Å; A447-F450 PolarHBondContact O-N 3.11Å; A447-F450 VanDerWaalsContact O-N 3.11Å
448	L	98.5	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.1	-179.4	-60.1	174.8	0	0	0	113.2	P74 C302 V304 I369 L374 N377 T378 F450	P74-L448 WeakPolarHBondContact O-CB 3.48Å; P74-L448 WeakPolarHBondContact O-CG 3.4Å; P74-L448 PolarHBondContact O-N 3.41Å; C302-L448 WeakPolarHBondContact O-CD1 3.47Å; C302-L448 WeakPolarHBondContact O-CD2 3.49Å; V304-L448 HydrophobicContact CG1-CD2 4.24Å; I369-L448 HydrophobicContact CD1-CD1 3.46Å; I369-L448 VanDerWaalsContact CD1-CD1 3.46Å; I369-L448 HydrophobicContact CG1-CD1 3.63Å; L374-L448 HydrophobicContact CB-CB 3.96Å; L374-L448 HydrophobicContact CD1-CB 4.03Å; N377-L448 PolarHBondContact ND2-O 3.09Å; T378-L448 WeakPolarHBondContact OG1-CD2 3.44Å; L448-F450 VanDerWaalsContact C-N 3.28Å
449	I	97.3	Very high	97.5	Very high	14 Å²	14	26.5 Å²	26.5	7%	0.072	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7	173.9	59.4	161	0	0	0	112.9	F7 N53 I75 L374 A447 Q451	F7-I449 HydrophobicContact CD2-CD1 3.97Å; F7-I449 HydrophobicContact CE2-CD1 3.53Å; F7-I449 HydrophobicContact CZ-CD1 4.4Å; N53-I449 WeakPolarHBondContact ND2-CD1 3.33Å; I75-I449 HydrophobicContact CB-CG2 4.19Å; L374-I449 HydrophobicContact CD1-CG2 4.03Å; L374-I449 HydrophobicContact CD2-CG2 4.31Å; A447-I449 HydrophobicContact CB-CG1 3.82Å; A447-I449 PolarHBondContact O-N 3.08Å; I449-Q451 WeakPolarHBondContact O-CG 3.47Å; I449-Q451 PolarHBondContact O-NE2 3.23Å; I449-Q451 VanDerWaalsContact O-NE2 3.12Å
450	F	97.5	Very high	97.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	12%	0.119	C	C	.	.			trans	-62.7	136.7	-178.1	-164.9	-95.6	0	0	0	111.2	N53 L64 A66 N377 T381 P446 A447 L448 H454 V455 I458	N53-F450 HydrophobicContact CB-CD2 4.4Å; L64-F450 HydrophobicContact CD1-CE2 4.01Å; L64-F450 HydrophobicContact CD2-CE2 4.5Å; L64-F450 HydrophobicContact CG-CE2 4.36Å; A66-F450 HydrophobicContact CB-CE2 4.34Å; N377-F450 PolarHBondContact ND2-O 2.99Å; T381-F450 HydrophobicContact CG2-CD1 3.72Å; T381-F450 HydrophobicContact CG2-CE1 4.28Å; T381-F450 PolarHBondContact OG1-O 2.95Å; P446-F450 HydrophobicContact CB-CB 3.61Å; P446-F450 HydrophobicContact CB-CD1 3.99Å; P446-F450 HydrophobicContact CB-CD2 3.43Å; P446-F450 VanDerWaalsContact CB-CD2 3.43Å; P446-F450 HydrophobicContact CB-CE2 4.01Å; P446-F450 HydrophobicContact CB-CG 3.42Å; P446-F450 VanDerWaalsContact CB-CG 3.42Å; P446-F450 HydrophobicContact CG-CB 4.05Å; P446-F450 HydrophobicContact CG-CD1 4Å; P446-F450 HydrophobicContact CG-CD2 4.33Å; P446-F450 HydrophobicContact CG-CG 3.89Å; A447-F450 WeakPolarHBondContact O-CB 3.43Å; A447-F450 PolarHBondContact O-N 3.11Å; A447-F450 VanDerWaalsContact O-N 3.11Å; L448-F450 VanDerWaalsContact C-N 3.28Å; F450-H454 HydrophobicContact CD1-CB 4.09Å; F450-H454 HydrophobicContact CD2-CB 3.69Å; F450-H454 HydrophobicContact CE1-CB 3.73Å; F450-H454 HydrophobicContact CE2-CB 3.32Å; F450-H454 HydrophobicContact CG-CB 4.06Å; F450-H454 HydrophobicContact CZ-CB 3.31Å; F450-V455 HydrophobicContact CD1-CG2 4.35Å; F450-V455 HydrophobicContact CE1-CG2 3.66Å; F450-I458 HydrophobicContact CE2-CD1 4.04Å; F450-I458 HydrophobicContact CZ-CD1 3.59Å; F450-I458 HydrophobicContact CZ-CG1 4.34Å
451	Q	95.7	Very high	97.7	Very high	33 Å²	33	22.1 Å²	22.1	15%	0.154	12%	0.116	C	C	.	.			trans	-124.6	168.1	-165.7	-66.3	-59.8	-50	0	0	111.5	N377 T381 I449 H453 H454 V455	N377-Q451 PolarHBondContact ND2-NE2 3.32Å; N377-Q451 VanDerWaalsContact ND2-NE2 3.14Å; N377-Q451 VanDerWaalsContact OD1-CD 3.29Å; N377-Q451 PolarHBondContact OD1-NE2 2.96Å; N377-Q451 PolarHBondContact OD1-OE1 3.2Å; N377-Q451 VanDerWaalsContact OD1-OE1 3.14Å; T381-Q451 VanDerWaalsContact CG2-C 3.45Å; I449-Q451 WeakPolarHBondContact O-CG 3.47Å; I449-Q451 PolarHBondContact O-NE2 3.23Å; I449-Q451 VanDerWaalsContact O-NE2 3.12Å; Q451-H453 VanDerWaalsContact CB-CE1 3.44Å; Q451-H453 WeakPolarHBondContact CB-CE1 3.34Å; Q451-H453 WeakPolarHBondContact CB-ND1 3.35Å; Q451-H453 PolarHBondContact O-N 3.43Å; Q451-H454 PolarHBondContact N-ND1 3.49Å; Q451-H454 VanDerWaalsContact O-CB 3.31Å; Q451-H454 WeakPolarHBondContact O-CB 3.43Å; Q451-H454 PolarHBondContact O-N 3.01Å; Q451-V455 PolarHBondContact O-N 3.47Å
452	P	95.5	Very high	97.7	Very high	47 Å²	47	21.8 Å²	21.8	31%	0.305	11%	0.114	S	C	.	.	H	α-helix	trans	-52.9	-43.9	177.3	-31.9	39.9	0	0	0	115	T381 L384 H454 V455 E456	T381-P452 WeakPolarHBondContact OG1-CD 3.49Å; L384-P452 HydrophobicContact CD2-CB 3.69Å; P452-H454 PolarHBondContact O-N 3.23Å; P452-V455 WeakPolarHBondContact O-CA 3.43Å; P452-V455 VanDerWaalsContact O-CB 3.26Å; P452-V455 WeakPolarHBondContact O-CB 3.23Å; P452-V455 PolarHBondContact O-N 2.85Å; P452-E456 PolarHBondContact O-N 2.9Å; P452-E456 VanDerWaalsContact O-N 3.08Å
453	H	95	Very high	97.6	Very high	92 Å²	92	23.2 Å²	23.2	43%	0.426	12%	0.12	S	C	.	.	H	α-helix	trans	-63.1	-27.2	178.5	65.6	-94.2	0	0	0	113.1	Q451 E456 A457	Q451-H453 VanDerWaalsContact CB-CE1 3.44Å; Q451-H453 WeakPolarHBondContact CB-CE1 3.34Å; Q451-H453 WeakPolarHBondContact CB-ND1 3.35Å; Q451-H453 PolarHBondContact O-N 3.43Å; H453-E456 PolarHBondContact O-N 3.45Å; H453-A457 PolarHBondContact O-N 3.29Å; H453-A457 VanDerWaalsContact O-N 3.07Å
454	H	97.4	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-71.4	-35.9	172.8	-60.8	113	0	0	0	111.5	E10 N53 Y54 L64 F450 Q451 P452 A457 I458	E10-H454 IonicContact OE1-NE2 2.94Å; E10-H454 IonicContact OE2-CE1 3.64Å; E10-H454 PolarHBondContact OE2-CE1 3.05Å; E10-H454 IonicContact OE2-NE2 3.77Å; E10-H454 PolarHBondContact OE2-NE2 2.83Å; N53-H454 PolarHBondContact ND2-CE1 3.12Å; N53-H454 PolarHBondContact ND2-NE2 3.09Å; Y54-H454 AromaticContact CE2-NE2 3.98Å; L64-H454 HydrophobicContact CD1-CB 4.35Å; L64-H454 HydrophobicContact CD2-CB 4.24Å; F450-H454 HydrophobicContact CD1-CB 4.09Å; F450-H454 HydrophobicContact CD2-CB 3.69Å; F450-H454 HydrophobicContact CE1-CB 3.73Å; F450-H454 HydrophobicContact CE2-CB 3.32Å; F450-H454 HydrophobicContact CG-CB 4.06Å; F450-H454 HydrophobicContact CZ-CB 3.31Å; Q451-H454 PolarHBondContact N-ND1 3.49Å; Q451-H454 VanDerWaalsContact O-CB 3.31Å; Q451-H454 WeakPolarHBondContact O-CB 3.43Å; Q451-H454 PolarHBondContact O-N 3.01Å; P452-H454 PolarHBondContact O-N 3.23Å; H454-A457 PolarHBondContact O-N 2.79Å; H454-I458 WeakPolarHBondContact O-CG1 3.43Å; H454-I458 PolarHBondContact O-N 3.07Å; H454-I458 VanDerWaalsContact O-N 3.1Å
455	V	98.1	Very high	97.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-59.6	-50.4	171.7	179.2	0	0	0	0	109.4	T381 L384 L385 F450 Q451 P452 A457 I458 I459	T381-V455 HydrophobicContact CG2-CG2 3.58Å; L384-V455 HydrophobicContact CD2-CB 4.12Å; L384-V455 HydrophobicContact CD2-CG1 4.3Å; L384-V455 HydrophobicContact CD2-CG2 4.41Å; L384-V455 HydrophobicContact CG-CB 4.42Å; L384-V455 HydrophobicContact CG-CG1 4.09Å; L385-V455 HydrophobicContact CB-CG1 4.16Å; L385-V455 HydrophobicContact CB-CG2 4.04Å; L385-V455 HydrophobicContact CD1-CG1 4.09Å; F450-V455 HydrophobicContact CD1-CG2 4.35Å; F450-V455 HydrophobicContact CE1-CG2 3.66Å; Q451-V455 PolarHBondContact O-N 3.47Å; P452-V455 WeakPolarHBondContact O-CA 3.43Å; P452-V455 VanDerWaalsContact O-CB 3.26Å; P452-V455 WeakPolarHBondContact O-CB 3.23Å; P452-V455 PolarHBondContact O-N 2.85Å; V455-A457 VanDerWaalsContact C-N 3.31Å; V455-A457 PolarHBondContact O-N 3.09Å; V455-I458 PolarHBondContact O-N 3.4Å; V455-I458 VanDerWaalsContact O-N 3.11Å; V455-I459 HydrophobicContact CG1-CG1 3.84Å; V455-I459 WeakPolarHBondContact O-CB 3.42Å; V455-I459 VanDerWaalsContact O-CG1 3.27Å; V455-I459 WeakPolarHBondContact O-CG1 3.48Å; V455-I459 PolarHBondContact O-N 3.47Å
456	E	97.1	Very high	97.5	Very high	122 Å²	122	26.7 Å²	26.7	57%	0.57	14%	0.14	S	C	*	.	H	α-helix	trans	-55.2	-46	179.1	-66.1	167.4	-162	0	0	111.8	P452 H453 I458 I459 S460	P452-E456 PolarHBondContact O-N 2.9Å; P452-E456 VanDerWaalsContact O-N 3.08Å; H453-E456 PolarHBondContact O-N 3.45Å; E456-I458 VanDerWaalsContact C-N 3.33Å; E456-I458 PolarHBondContact O-N 3.17Å; E456-I459 PolarHBondContact O-N 3.15Å; E456-S460 WeakPolarHBondContact O-CB 3.26Å; E456-S460 PolarHBondContact O-N 3.37Å
457	A	97.1	Very high	97.5	Very high	17 Å²	17	31.3 Å²	31.3	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-36.4	178.4	0	0	0	0	0	113.5	L64 H453 H454 V455 R461	L64-A457 HydrophobicContact CD2-CB 3.93Å; H453-A457 PolarHBondContact O-N 3.29Å; H453-A457 VanDerWaalsContact O-N 3.07Å; H454-A457 PolarHBondContact O-N 2.79Å; V455-A457 VanDerWaalsContact C-N 3.31Å; V455-A457 PolarHBondContact O-N 3.09Å; A457-R461 WeakPolarHBondContact O-CD 3.22Å; A457-R461 PolarHBondContact O-NH1 3.48Å
458	I	98.1	Very high	97.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71	-49.9	174.6	-70.8	-171.7	0	0	0	110.6	L64 A66 V432 L434 F444 F450 H454 V455 E456 S460 R461 F462	L64-I458 HydrophobicContact CD2-CD1 4.17Å; L64-I458 HydrophobicContact CD2-CG1 3.56Å; L64-I458 HydrophobicContact CG-CD1 4.37Å; L64-I458 HydrophobicContact CG-CG1 4.19Å; A66-I458 HydrophobicContact CB-CD1 3.54Å; V432-I458 HydrophobicContact CG1-CD1 3.95Å; V432-I458 HydrophobicContact CG1-CG1 3.78Å; V432-I458 HydrophobicContact CG1-CG2 4.36Å; V432-I458 HydrophobicContact CG2-CG1 4.27Å; L434-I458 HydrophobicContact CD2-CD1 4.43Å; F444-I458 HydrophobicContact CE1-CG2 3.89Å; F450-I458 HydrophobicContact CE2-CD1 4.04Å; F450-I458 HydrophobicContact CZ-CD1 3.59Å; F450-I458 HydrophobicContact CZ-CG1 4.34Å; H454-I458 WeakPolarHBondContact O-CG1 3.43Å; H454-I458 PolarHBondContact O-N 3.07Å; H454-I458 VanDerWaalsContact O-N 3.1Å; V455-I458 PolarHBondContact O-N 3.4Å; V455-I458 VanDerWaalsContact O-N 3.11Å; E456-I458 VanDerWaalsContact C-N 3.33Å; E456-I458 PolarHBondContact O-N 3.17Å; I458-S460 PolarHBondContact O-N 3.05Å; I458-R461 PolarHBondContact O-N 3.44Å; I458-F462 WeakPolarHBondContact O-CB 3.44Å; I458-F462 PolarHBondContact O-N 3.24Å
459	I	98.3	Very high	97.1	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-41.9	-172.7	-67	-62.8	0	0	0	111.1	L385 E388 L389 L392 V455 E456 R461 F462 E463	L385-I459 HydrophobicContact CD1-CD1 4.46Å; E388-I459 HydrophobicContact CB-CB 4.49Å; E388-I459 HydrophobicContact CB-CD1 3.63Å; E388-I459 HydrophobicContact CB-CG1 3.63Å; E388-I459 HydrophobicContact CB-CG2 4.15Å; E388-I459 HydrophobicContact CG-CG1 4.06Å; E388-I459 HydrophobicContact CG-CG2 4.31Å; E388-I459 WeakPolarHBondContact OE2-CG2 3.44Å; L389-I459 HydrophobicContact CD2-CD1 4.35Å; L392-I459 HydrophobicContact CD1-CD1 4Å; L392-I459 HydrophobicContact CD1-CG2 4.33Å; V455-I459 HydrophobicContact CG1-CG1 3.84Å; V455-I459 WeakPolarHBondContact O-CB 3.42Å; V455-I459 VanDerWaalsContact O-CG1 3.27Å; V455-I459 WeakPolarHBondContact O-CG1 3.48Å; V455-I459 PolarHBondContact O-N 3.47Å; E456-I459 PolarHBondContact O-N 3.15Å; I459-R461 VanDerWaalsContact C-N 3.35Å; I459-R461 PolarHBondContact O-N 3.03Å; I459-F462 PolarHBondContact O-N 2.88Å; I459-E463 WeakPolarHBondContact O-CB 3.43Å; I459-E463 PolarHBondContact O-N 3.45Å
460	S	97.7	Very high	97.1	Very high	62 Å²	62	39.9 Å²	39.9	43%	0.434	22%	0.215	S	C	.	.	H	α-helix	trans	-55.4	-48.3	174.1	165.3	0	0	0	0	111.9	E456 I458 E463 D464	E456-S460 WeakPolarHBondContact O-CB 3.26Å; E456-S460 PolarHBondContact O-N 3.37Å; I458-S460 PolarHBondContact O-N 3.05Å; S460-E463 PolarHBondContact O-N 3.44Å; S460-D464 PolarHBondContact O-N 3.25Å
461	R	97.9	Very high	97.1	Very high	51 Å²	51	41.9 Å²	41.9	19%	0.192	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-34.2	179.2	-70.9	169.2	172.8	68.8	8.8	113	I427 R430 V432 A457 I458 I459 E463 D464 V465	I427-R461 HydrophobicContact CG1-CB 4.29Å; R430-R461 HydrophobicContact CB-CB 4.39Å; R430-R461 HydrophobicContact CB-CG 4.28Å; R430-R461 WeakPolarHBondContact O-CD 3.42Å; R430-R461 PolarHBondContact O-NE 3.48Å; V432-R461 HydrophobicContact CG2-CB 4.31Å; V432-R461 VanDerWaalsContact CG2-CD 3.41Å; A457-R461 WeakPolarHBondContact O-CD 3.22Å; A457-R461 PolarHBondContact O-NH1 3.48Å; I458-R461 PolarHBondContact O-N 3.44Å; I459-R461 VanDerWaalsContact C-N 3.35Å; I459-R461 PolarHBondContact O-N 3.03Å; R461-E463 VanDerWaalsContact C-N 3.33Å; R461-D464 PolarHBondContact O-N 3.41Å; R461-V465 WeakPolarHBondContact O-CG2 3.43Å; R461-V465 PolarHBondContact O-N 2.93Å
462	F	98.2	Very high	97.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-45.8	175.2	-155	-53.2	0	0	0	109.4	L392 L400 V412 I423 I427 L434 I442 F444 I458 I459 D464 V465 L466	L392-F462 HydrophobicContact CD1-CB 4.29Å; L392-F462 HydrophobicContact CD1-CD1 4.19Å; L392-F462 HydrophobicContact CD1-CG 4.24Å; L400-F462 HydrophobicContact CD1-CE1 4.18Å; L400-F462 HydrophobicContact CD2-CE1 4.42Å; V412-F462 HydrophobicContact CG1-CZ 4.32Å; I423-F462 HydrophobicContact CD1-CE1 4.46Å; I423-F462 HydrophobicContact CG2-CE1 3.85Å; I423-F462 HydrophobicContact CG2-CE2 4.4Å; I423-F462 HydrophobicContact CG2-CZ 3.8Å; I427-F462 HydrophobicContact CD1-CB 3.99Å; I427-F462 HydrophobicContact CD1-CD2 3.86Å; I427-F462 HydrophobicContact CD1-CG 4.11Å; L434-F462 HydrophobicContact CD1-CD2 4.13Å; L434-F462 HydrophobicContact CD1-CE2 4.04Å; I442-F462 HydrophobicContact CD1-CE2 4.33Å; I442-F462 HydrophobicContact CD1-CZ 3.85Å; I442-F462 HydrophobicContact CG2-CE2 4.37Å; F444-F462 HydrophobicContact CZ-CD2 4.23Å; F444-F462 AromaticContact CZ-CE2 3.94Å; F444-F462 HydrophobicContact CZ-CE2 3.94Å; I458-F462 WeakPolarHBondContact O-CB 3.44Å; I458-F462 PolarHBondContact O-N 3.24Å; I459-F462 PolarHBondContact O-N 2.88Å; F462-D464 PolarHBondContact O-N 3.43Å; F462-V465 WeakPolarHBondContact O-CB 3.37Å; F462-V465 PolarHBondContact O-N 3.47Å; F462-V465 VanDerWaalsContact O-N 3.16Å; F462-L466 HydrophobicContact CD1-CD1 3.67Å; F462-L466 HydrophobicContact CD1-CD2 4.47Å; F462-L466 HydrophobicContact CD1-CG 3.84Å; F462-L466 HydrophobicContact CE1-CD1 3.88Å; F462-L466 HydrophobicContact CE1-CD2 4.1Å; F462-L466 HydrophobicContact CE1-CG 3.97Å; F462-L466 WeakPolarHBondContact O-CG 3.29Å; F462-L466 PolarHBondContact O-N 3.38Å
463	E	97.7	Very high	97.3	Very high	30 Å²	30	42.1 Å²	42.1	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-41.1	177.4	-161.7	156.4	-150.1	0	0	111.7	R391 L392 K395 Y396 I459 S460 R461 V465 L466 N467	R391-E463 IonicContact CZ-OE1 3.62Å; R391-E463 IonicContact CZ-OE2 3.28Å; R391-E463 IonicContact NH1-OE1 3.4Å; R391-E463 PolarHBondContact NH1-OE1 3.4Å; R391-E463 IonicContact NH1-OE2 3.52Å; R391-E463 IonicContact NH2-OE1 2.71Å; R391-E463 IonicContact NH2-OE2 2.96Å; R391-E463 PolarHBondContact NH2-OE2 2.88Å; L392-E463 HydrophobicContact CD2-CB 4.15Å; L392-E463 HydrophobicContact CD2-CG 4.06Å; K395-E463 WeakPolarHBondContact CD-OE1 3.5Å; K395-E463 WeakPolarHBondContact CE-OE1 3.5Å; K395-E463 IonicContact NZ-OE1 2.75Å; K395-E463 PolarHBondContact NZ-OE1 3.36Å; Y396-E463 HydrophobicContact CE2-CG 3.97Å; Y396-E463 WeakPolarHBondContact OH-CG 3.41Å; I459-E463 WeakPolarHBondContact O-CB 3.43Å; I459-E463 PolarHBondContact O-N 3.45Å; S460-E463 PolarHBondContact O-N 3.44Å; R461-E463 VanDerWaalsContact C-N 3.33Å; E463-V465 VanDerWaalsContact C-N 3.29Å; E463-V465 PolarHBondContact O-N 2.88Å; E463-L466 PolarHBondContact O-N 3.4Å; E463-N467 VanDerWaalsContact O-CG 3.27Å; E463-N467 PolarHBondContact O-N 3.41Å; E463-N467 PolarHBondContact O-ND2 3.03Å; E463-N467 VanDerWaalsContact O-ND2 3.13Å
464	D	97.9	Very high	97.4	Very high	80 Å²	80	39 Å²	39	43%	0.428	21%	0.213	S	C	.	.	H	α-helix	trans	-59.1	-38.6	172.6	-68.1	-22.6	0	0	0	112.9	S460 R461 F462 S468	S460-D464 PolarHBondContact O-N 3.25Å; R461-D464 PolarHBondContact O-N 3.41Å; F462-D464 PolarHBondContact O-N 3.43Å; D464-S468 PolarHBondContact O-N 2.78Å
465	V	98.3	Very high	97.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-47.9	175.3	172.1	0	0	0	0	110.4	I423 Q426 I427 R461 F462 E463 N467 S468 L469	I423-V465 HydrophobicContact CB-CG1 4.31Å; I423-V465 HydrophobicContact CG1-CG1 4.15Å; I423-V465 HydrophobicContact CG2-CG1 4.21Å; Q426-V465 HydrophobicContact CB-CB 4.48Å; Q426-V465 HydrophobicContact CB-CG1 3.74Å; Q426-V465 HydrophobicContact CB-CG2 3.88Å; I427-V465 HydrophobicContact CB-CG2 4.07Å; I427-V465 HydrophobicContact CG1-CG2 4.25Å; R461-V465 WeakPolarHBondContact O-CG2 3.43Å; R461-V465 PolarHBondContact O-N 2.93Å; F462-V465 WeakPolarHBondContact O-CB 3.37Å; F462-V465 PolarHBondContact O-N 3.47Å; F462-V465 VanDerWaalsContact O-N 3.16Å; E463-V465 VanDerWaalsContact C-N 3.29Å; E463-V465 PolarHBondContact O-N 2.88Å; V465-N467 VanDerWaalsContact C-N 3.27Å; V465-N467 PolarHBondContact O-N 2.96Å; V465-S468 PolarHBondContact O-N 2.94Å; V465-S468 PolarHBondContact O-OG 3.29Å; V465-L469 PolarHBondContact O-N 3.29Å
466	L	98.2	Very high	97.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-36.3	179.4	-69	170	0	0	0	112.4	L392 Y396 F399 L400 I423 F462 E463 S468 L469	L392-L466 HydrophobicContact CD1-CD1 4.45Å; L392-L466 HydrophobicContact CD2-CD1 4.34Å; Y396-L466 HydrophobicContact CD1-CB 4Å; Y396-L466 HydrophobicContact CD2-CB 4.3Å; Y396-L466 HydrophobicContact CD2-CD1 3.56Å; Y396-L466 HydrophobicContact CE1-CB 3.98Å; Y396-L466 HydrophobicContact CE2-CB 4.3Å; Y396-L466 HydrophobicContact CE2-CD1 3.97Å; Y396-L466 HydrophobicContact CG-CB 4.16Å; Y396-L466 HydrophobicContact CG-CD1 3.91Å; F399-L466 HydrophobicContact CB-CD2 4.04Å; F399-L466 HydrophobicContact CD2-CD2 4.19Å; F399-L466 HydrophobicContact CG-CD2 4.4Å; L400-L466 HydrophobicContact CD1-CD1 3.72Å; L400-L466 HydrophobicContact CD1-CD2 4.23Å; L400-L466 HydrophobicContact CG-CD2 4.25Å; I423-L466 HydrophobicContact CD1-CD2 3.98Å; F462-L466 HydrophobicContact CD1-CD1 3.67Å; F462-L466 HydrophobicContact CD1-CD2 4.47Å; F462-L466 HydrophobicContact CD1-CG 3.84Å; F462-L466 HydrophobicContact CE1-CD1 3.88Å; F462-L466 HydrophobicContact CE1-CD2 4.1Å; F462-L466 HydrophobicContact CE1-CG 3.97Å; F462-L466 WeakPolarHBondContact O-CG 3.29Å; F462-L466 PolarHBondContact O-N 3.38Å; E463-L466 PolarHBondContact O-N 3.4Å; L466-S468 PolarHBondContact O-N 3.14Å; L466-L469 HydrophobicContact CD2-CD1 4.26Å; L466-L469 PolarHBondContact O-N 2.97Å
467	N	97.1	Very high	97.4	Very high	98 Å²	98	38.5 Å²	38.5	52%	0.524	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.8	175	-70.6	-34.1	0	0	0	113.6	Y396 E463 V465	Y396-N467 WeakPolarHBondContact CE1-OD1 3.35Å; Y396-N467 PolarHBondContact OH-OD1 2.65Å; E463-N467 VanDerWaalsContact O-CG 3.27Å; E463-N467 PolarHBondContact O-N 3.41Å; E463-N467 PolarHBondContact O-ND2 3.03Å; E463-N467 VanDerWaalsContact O-ND2 3.13Å; V465-N467 VanDerWaalsContact C-N 3.27Å; V465-N467 PolarHBondContact O-N 2.96Å
468	S	95.6	Very high	97.4	Very high	67 Å²	67	40.3 Å²	40.3	47%	0.469	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-4.1	179.5	71.4	0	0	0	0	114.2	D464 V465 L466	D464-S468 PolarHBondContact O-N 2.78Å; V465-S468 PolarHBondContact O-N 2.94Å; V465-S468 PolarHBondContact O-OG 3.29Å; L466-S468 PolarHBondContact O-N 3.14Å
469	L	93.9	Very high	97.3	Very high	89 Å²	89	44 Å²	44	47%	0.466	24%	0.244	S	C	.	.			trans	-86.4	0	172.8	-65.1	179.5	0	0	0	110.3	F399 T419 K422 I423 V465 L466	F399-L469 HydrophobicContact CD1-CD1 4.34Å; F399-L469 HydrophobicContact CE1-CB 4.06Å; F399-L469 HydrophobicContact CE1-CD1 4.44Å; F399-L469 HydrophobicContact CE2-CB 4.12Å; F399-L469 HydrophobicContact CG-CD1 4.45Å; F399-L469 HydrophobicContact CZ-CB 3.73Å; T419-L469 HydrophobicContact CG2-CD1 4.28Å; K422-L469 HydrophobicContact CB-CD2 4.27Å; K422-L469 HydrophobicContact CD-CD2 4.42Å; I423-L469 HydrophobicContact CD1-CD1 4.05Å; I423-L469 HydrophobicContact CG1-CD1 3.73Å; V465-L469 PolarHBondContact O-N 3.29Å; L466-L469 HydrophobicContact CD2-CD1 4.26Å; L466-L469 PolarHBondContact O-N 2.97Å

Retrieved 469 of 469 residues in 333 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).