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Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase

Bifunctional phosphoribosylaminoimidazole carboxylase and phosphoribosylaminoimidazole succinocarboxamide synthetase catalyzing two reactions of the de novo purine biosynthetic pathway.

AlphaFold DB , UniProt , Accession H9FNU8, Species MACMU (Macaca mulatta, Rhesus macaque), Gene PAICS, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	69	Low	245 Å²	245	110.5 Å²	110.5	100%	1.207	64%	0.636	S	S	*	*				0	104.4	0	-68.2	176.9	-169.2	0	0	106.6	T3	M1-T3 PolarHBondContact O-N 2.91Å
2	A	37.8	Very low	71.4	Confident	103 Å²	103	108.5 Å²	108.5	85%	0.851	61%	0.614	S	S	*	*			trans	-70.6	118.9	174.3	0	0	0	0	0	107.2	A4	A2-A4 PolarHBondContact O-N 2.81Å
3	T	39.3	Very low	73.2	Confident	135 Å²	135	105.8 Å²	105.8	83%	0.828	60%	0.596	S	S	*	*			trans	-52.9	119.6	170.4	40.9	0	0	0	0	108	M1 E5	M1-T3 PolarHBondContact O-N 2.91Å; T3-E5 PolarHBondContact O-N 3.37Å
4	A	52.3	Low	74.7	Confident	89 Å²	89	107.1 Å²	107.1	74%	0.736	59%	0.589	S	S	*	*			trans	-55.8	115.3	172.6	0	0	0	0	0	107.6	A2 V6	A2-A4 PolarHBondContact O-N 2.81Å; A4-V6 PolarHBondContact O-N 3.02Å
5	E	59.2	Low	76	Confident	146 Å²	146	106.6 Å²	106.6	68%	0.682	58%	0.58	S	S	*	*			trans	-54.1	111.2	170.5	-99.6	-179.6	164	0	0	107.2	T3 L7 R79	T3-E5 PolarHBondContact O-N 3.37Å; E5-L7 PolarHBondContact O-N 3.16Å; E5-R79 IonicContact OE2-CZ 3.29Å; E5-R79 IonicContact OE2-NH2 2.67Å; E5-R79 PolarHBondContact OE2-NH2 2.97Å
6	V	71.4	Confident	76.9	Confident	136 Å²	136	100.6 Å²	100.6	82%	0.824	55%	0.551	S	S	*	*			trans	-69.4	102.1	171.7	179.1	0	0	0	0	105.9	A4 N8	A4-V6 PolarHBondContact O-N 3.02Å; V6-N8 PolarHBondContact O-N 3.03Å
7	L	85	Confident	77.7	Confident	46 Å²	46	99.2 Å²	99.2	24%	0.241	54%	0.538	C	S	.	.			trans	-69.8	120.8	177.1	-114.8	86.4	0	0	0	109.5	E5 I9 L24 L32 I87	E5-L7 PolarHBondContact O-N 3.16Å; L7-I9 HydrophobicContact CB-CG1 4.28Å; L7-I9 PolarHBondContact O-N 3.32Å; L7-I9 VanDerWaalsContact O-N 3.16Å; L7-L24 HydrophobicContact CD2-CD1 4.4Å; L7-L24 HydrophobicContact CD2-CD2 3.59Å; L7-L24 HydrophobicContact CG-CD2 4.28Å; L7-L32 HydrophobicContact CD2-CD1 3.96Å; L7-L32 HydrophobicContact CD2-CD2 4.34Å; L7-I87 HydrophobicContact CD2-CD1 4.35Å
8	N	93.4	Very high	78.5	Confident	74 Å²	74	95.5 Å²	95.5	40%	0.396	52%	0.519	S	S	.	.			trans	-83.3	88.5	174.7	-165.3	10.2	0	0	0	110.7	V6 L25 D26	V6-N8 PolarHBondContact O-N 3.03Å; N8-L25 PolarHBondContact O-N 2.89Å; N8-L25 VanDerWaalsContact O-N 3.1Å; N8-D26 WeakPolarHBondContact CB-OD2 3.32Å; N8-D26 PolarHBondContact ND2-OD1 3.46Å
9	I	95.1	Very high	79.4	Confident	83 Å²	83	92.2 Å²	92.2	43%	0.426	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125.7	-175.6	-57.5	176	0	0	0	109.8	L7 Y22 L24 L32	L7-I9 HydrophobicContact CB-CG1 4.28Å; L7-I9 PolarHBondContact O-N 3.32Å; L7-I9 VanDerWaalsContact O-N 3.16Å; I9-Y22 HydrophobicContact CG2-CD1 3.82Å; I9-Y22 HydrophobicContact CG2-CG 3.89Å; I9-L24 HydrophobicContact CG1-CD2 4.5Å; I9-L32 HydrophobicContact CD1-CD2 3.84Å; I9-L32 HydrophobicContact CG1-CD2 4.28Å
10	G	94.9	Very high	80.3	Confident	19 Å²	19	89 Å²	89	20%	0.196	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-152.8	175.1	0	0	0	0	0	113.2	E23	G10-E23 PolarHBondContact N-O 3.17Å
11	K	95.8	Very high	81.1	Confident	139 Å²	139	85.7 Å²	85.7	60%	0.604	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	153.2	-178.6	69.2	-169.6	173.6	-173.4	0	112.2	L13 E23	K11-L13 HydrophobicContact CD-CD2 4.35Å; K11-L13 HydrophobicContact CG-CD2 3.96Å; K11-L13 PolarHBondContact O-N 3.13Å; K11-E23 VanDerWaalsContact CE-OE2 3.27Å; K11-E23 WeakPolarHBondContact CE-OE2 3.03Å; K11-E23 HydrophobicContact CG-CB 4.48Å; K11-E23 WeakPolarHBondContact CG-OE2 3.4Å; K11-E23 PolarHBondContact O-N 3.31Å
12	K	97.5	Very high	84.1	Confident	87 Å²	87	76.2 Å²	76.2	38%	0.378	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.9	167.8	-161.8	-176	-52.2	-165.4	0	109.1	E15 E20 Y22	K12-E15 HydrophobicContact CD-CB 3.98Å; K12-E15 IonicContact NZ-OE2 3.74Å; K12-E15 PolarHBondContact NZ-OE2 3.1Å; K12-E20 HydrophobicContact CD-CB 4.43Å; K12-E20 HydrophobicContact CD-CG 4.37Å; K12-E20 IonicContact NZ-OE1 3.22Å; K12-E20 PolarHBondContact NZ-OE1 2.57Å; K12-Y22 HydrophobicContact CB-CD1 3.99Å; K12-Y22 HydrophobicContact CB-CE1 3.77Å; K12-Y22 HydrophobicContact CD-CE1 4.45Å; K12-Y22 VanDerWaalsContact CE-OH 3.31Å; K12-Y22 WeakPolarHBondContact CE-OH 3.27Å; K12-Y22 HydrophobicContact CG-CD1 4.24Å; K12-Y22 HydrophobicContact CG-CE1 3.87Å
13	L	95.3	Very high	87	Confident	73 Å²	73	74.5 Å²	74.5	38%	0.382	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-38.5	-179.4	-60.9	177.7	0	0	0	112	K11 V21 E23 V31	K11-L13 HydrophobicContact CD-CD2 4.35Å; K11-L13 HydrophobicContact CG-CD2 3.96Å; K11-L13 PolarHBondContact O-N 3.13Å; L13-V21 PolarHBondContact N-O 3.02Å; L13-E23 HydrophobicContact CD1-CB 4.27Å; L13-E23 HydrophobicContact CD2-CB 4.42Å; L13-E23 HydrophobicContact CG-CB 4.34Å; L13-V31 HydrophobicContact CD1-CG1 3.72Å
14	Y	93.6	Very high	89.7	Confident	125 Å²	125	68.4 Å²	68.4	49%	0.49	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.4	-177.8	170	-94.4	0	0	0	110.2	G16 E20 V21	Y14-G16 VanDerWaalsContact CE1-N 3.29Å; Y14-G16 WeakPolarHBondContact OH-CA 3.31Å; Y14-E20 WeakPolarHBondContact O-CA 3.47Å; Y14-V21 HydrophobicContact CD1-CG2 4.01Å; Y14-V21 PolarHBondContact N-O 2.79Å; Y14-V21 PolarHBondContact O-N 2.75Å
15	E	94.4	Very high	91.7	Very high	99 Å²	99	68.5 Å²	68.5	46%	0.463	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.6	169.7	-178.8	163	178.8	0	0	109.6	K12 E20 K36	K12-E15 HydrophobicContact CD-CB 3.98Å; K12-E15 IonicContact NZ-OE2 3.74Å; K12-E15 PolarHBondContact NZ-OE2 3.1Å; E15-E20 HydrophobicContact CG-CG 4.04Å; E15-K36 IonicContact OE1-NZ 2.91Å; E15-K36 PolarHBondContact OE1-NZ 3.46Å
16	G	89.9	Confident	93.4	Very high	11 Å²	11	66.7 Å²	66.7	11%	0.113	33%	0.334	C	S	.	.			trans	-105.5	-176	174.9	0	0	0	0	0	112.4	Y14 T18 K19	Y14-G16 VanDerWaalsContact CE1-N 3.29Å; Y14-G16 WeakPolarHBondContact OH-CA 3.31Å; G16-T18 VanDerWaalsContact C-N 3.28Å; G16-T18 PolarHBondContact O-N 2.78Å; G16-K19 PolarHBondContact N-O 3.43Å
17	K	90.4	Very high	94.5	Very high	77 Å²	77	62.2 Å²	62.2	34%	0.335	31%	0.309	S	S	.	.	S	Bend	trans	-60	-36.7	179.7	-66.2	167.2	-173.1	169.2	0	112.5	T40 A44 D133	K17-T40 HydrophobicContact CB-CG2 4.19Å; K17-A44 HydrophobicContact CD-CB 3.94Å; K17-A44 HydrophobicContact CG-CB 4.35Å; K17-D133 WeakPolarHBondContact CE-OD2 3.47Å; K17-D133 IonicContact NZ-OD1 2.75Å; K17-D133 PolarHBondContact NZ-OD1 2.9Å; K17-D133 IonicContact NZ-OD2 3.52Å; K17-D133 PolarHBondContact NZ-OD2 2.98Å
18	T	92	Very high	94.9	Very high	32 Å²	32	65.9 Å²	65.9	20%	0.196	34%	0.336	C	S	.	.	S	Bend	trans	-126.1	-2.1	-171.3	56.2	0	0	0	0	114.4	G16 K36	G16-T18 VanDerWaalsContact C-N 3.28Å; G16-T18 PolarHBondContact O-N 2.78Å; T18-K36 PolarHBondContact O-N 3.16Å
19	K	95.6	Very high	94.9	Very high	32 Å²	32	63.3 Å²	63.3	14%	0.139	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	156.3	-175.9	62.9	178.2	-175.2	-81	0	112.8	G16 Q34 D207 V208	G16-K19 PolarHBondContact N-O 3.43Å; K19-Q34 CarbonylContact C-O 3.58Å; K19-Q34 WeakPolarHBondContact CA-O 3.45Å; K19-D207 WeakPolarHBondContact CE-OD1 3.48Å; K19-D207 IonicContact NZ-OD1 2.73Å; K19-D207 PolarHBondContact NZ-OD1 2.73Å; K19-V208 HydrophobicContact CD-CG1 4.48Å
20	E	97.9	Very high	95.1	Very high	29 Å²	29	63.2 Å²	63.2	14%	0.136	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.5	172.3	-62.2	174.5	147.4	0	0	108.9	K12 Y14 E15 Y22 L33 Q34 K36	K12-E20 HydrophobicContact CD-CB 4.43Å; K12-E20 HydrophobicContact CD-CG 4.37Å; K12-E20 IonicContact NZ-OE1 3.22Å; K12-E20 PolarHBondContact NZ-OE1 2.57Å; Y14-E20 WeakPolarHBondContact O-CA 3.47Å; E15-E20 HydrophobicContact CG-CG 4.04Å; E20-Y22 HydrophobicContact CB-CD2 4.26Å; E20-Y22 HydrophobicContact CB-CE2 3.48Å; E20-Y22 VanDerWaalsContact CB-CE2 3.48Å; E20-Y22 VanDerWaalsContact CD-OH 3.27Å; E20-Y22 HydrophobicContact CG-CE2 4.49Å; E20-Y22 WeakPolarHBondContact OE2-CE2 3.29Å; E20-Y22 PolarHBondContact OE2-OH 3.4Å; E20-L33 WeakPolarHBondContact O-CA 3.27Å; E20-Q34 HydrophobicContact CB-CB 4.48Å; E20-Q34 PolarHBondContact N-O 2.84Å; E20-Q34 PolarHBondContact O-N 2.84Å; E20-K36 HydrophobicContact CG-CD 4.04Å
21	V	97.9	Very high	95.2	Very high	20 Å²	20	62.7 Å²	62.7	12%	0.121	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.5	178.6	-175.3	0	0	0	0	108.6	L13 Y14 V31 L32 L33	L13-V21 PolarHBondContact N-O 3.02Å; Y14-V21 HydrophobicContact CD1-CG2 4.01Å; Y14-V21 PolarHBondContact N-O 2.79Å; Y14-V21 PolarHBondContact O-N 2.75Å; V21-V31 HydrophobicContact CG1-CB 3.72Å; V21-V31 HydrophobicContact CG1-CG1 4.03Å; V21-V31 HydrophobicContact CG1-CG2 3.91Å; V21-L32 WeakPolarHBondContact CA-O 3.48Å; V21-L33 HydrophobicContact CG2-CD2 4.36Å; V21-L33 HydrophobicContact CG2-CG 4.23Å
22	Y	98.1	Very high	95.4	Very high	46 Å²	46	56.5 Å²	56.5	18%	0.18	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.3	-179.8	-62.3	-93.9	0	0	0	111.1	I9 K12 E20 V31 L32 Q34	I9-Y22 HydrophobicContact CG2-CD1 3.82Å; I9-Y22 HydrophobicContact CG2-CG 3.89Å; K12-Y22 HydrophobicContact CB-CD1 3.99Å; K12-Y22 HydrophobicContact CB-CE1 3.77Å; K12-Y22 HydrophobicContact CD-CE1 4.45Å; K12-Y22 VanDerWaalsContact CE-OH 3.31Å; K12-Y22 WeakPolarHBondContact CE-OH 3.27Å; K12-Y22 HydrophobicContact CG-CD1 4.24Å; K12-Y22 HydrophobicContact CG-CE1 3.87Å; E20-Y22 HydrophobicContact CB-CD2 4.26Å; E20-Y22 HydrophobicContact CB-CE2 3.48Å; E20-Y22 VanDerWaalsContact CB-CE2 3.48Å; E20-Y22 VanDerWaalsContact CD-OH 3.27Å; E20-Y22 HydrophobicContact CG-CE2 4.49Å; E20-Y22 WeakPolarHBondContact OE2-CE2 3.29Å; E20-Y22 PolarHBondContact OE2-OH 3.4Å; Y22-V31 CarbonylContact O-C 3.59Å; Y22-V31 VanDerWaalsContact O-CA 3.24Å; Y22-V31 WeakPolarHBondContact O-CA 3.45Å; Y22-V31 VanDerWaalsContact O-CB 3.32Å; Y22-V31 WeakPolarHBondContact O-CB 3.46Å; Y22-L32 PolarHBondContact N-O 2.77Å; Y22-L32 PolarHBondContact O-N 2.89Å; Y22-Q34 HydrophobicContact CD2-CB 4.37Å; Y22-Q34 HydrophobicContact CE2-CB 4.06Å
23	E	96.9	Very high	95.4	Very high	66 Å²	66	53.1 Å²	53.1	31%	0.308	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	148.6	166.2	-179.5	175.7	-173.7	0	0	110.8	G10 K11 L13 L25	G10-E23 PolarHBondContact N-O 3.17Å; K11-E23 VanDerWaalsContact CE-OE2 3.27Å; K11-E23 WeakPolarHBondContact CE-OE2 3.03Å; K11-E23 HydrophobicContact CG-CB 4.48Å; K11-E23 WeakPolarHBondContact CG-OE2 3.4Å; K11-E23 PolarHBondContact O-N 3.31Å; L13-E23 HydrophobicContact CD1-CB 4.27Å; L13-E23 HydrophobicContact CD2-CB 4.42Å; L13-E23 HydrophobicContact CG-CB 4.34Å; E23-L25 HydrophobicContact CG-CD2 4.41Å
24	L	97	Very high	95.6	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110.8	169.4	-67.1	178	0	0	0	109.6	L7 I9 D26 S27 K30 L32 I87	L7-L24 HydrophobicContact CD2-CD1 4.4Å; L7-L24 HydrophobicContact CD2-CD2 3.59Å; L7-L24 HydrophobicContact CG-CD2 4.28Å; I9-L24 HydrophobicContact CG1-CD2 4.5Å; L24-D26 VanDerWaalsContact C-N 3.28Å; L24-D26 PolarHBondContact O-N 3.26Å; L24-S27 CarbonylContact O-C 3.5Å; L24-S27 PolarHBondContact O-N 3.42Å; L24-S27 VanDerWaalsContact O-N 3.13Å; L24-K30 HydrophobicContact CD1-CB 4.45Å; L24-L32 HydrophobicContact CD1-CB 4.49Å; L24-L32 HydrophobicContact CD2-CB 4.04Å; L24-L32 HydrophobicContact CG-CB 4.32Å; L24-I87 HydrophobicContact CD1-CD1 4.1Å; L24-I87 HydrophobicContact CD1-CG1 4.15Å; L24-I87 HydrophobicContact CD1-CG2 3.98Å
25	L	94.4	Very high	95.8	Very high	91 Å²	91	46.8 Å²	46.8	48%	0.476	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-34.8	-171.9	-61.9	178	0	0	0	112.3	N8 E23 S27	N8-L25 PolarHBondContact O-N 2.89Å; N8-L25 VanDerWaalsContact O-N 3.1Å; E23-L25 HydrophobicContact CG-CD2 4.41Å; L25-S27 VanDerWaalsContact C-N 3.32Å
26	D	94.1	Very high	95.9	Very high	108 Å²	108	44.7 Å²	44.7	58%	0.578	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	2.2	-178.2	-54	-18.4	0	0	0	112.7	N8 L24	N8-D26 WeakPolarHBondContact CB-OD2 3.32Å; N8-D26 PolarHBondContact ND2-OD1 3.46Å; L24-D26 VanDerWaalsContact C-N 3.28Å; L24-D26 PolarHBondContact O-N 3.26Å
27	S	94.7	Very high	96.3	Very high	43 Å²	43	46.5 Å²	46.5	30%	0.301	25%	0.246	S	C	.	.	S	Bend	trans	-139	77.3	-173.7	-71.7	0	0	0	0	111	L24 L25 G29 K30	L24-S27 CarbonylContact O-C 3.5Å; L24-S27 PolarHBondContact O-N 3.42Å; L24-S27 VanDerWaalsContact O-N 3.13Å; L25-S27 VanDerWaalsContact C-N 3.32Å; S27-G29 PolarHBondContact O-N 3.01Å; S27-K30 WeakPolarHBondContact O-CB 3.24Å; S27-K30 PolarHBondContact O-N 3.08Å; S27-K30 VanDerWaalsContact O-N 3.08Å
28	P	93.4	Very high	96.6	Very high	123 Å²	123	45.5 Å²	45.5	80%	0.799	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	138.3	-177.7	24.5	-34	0	0	0	111.3	K30	P28-K30 VanDerWaalsContact C-N 3.26Å; P28-K30 PolarHBondContact O-N 2.91Å
29	G	94.9	Very high	96.7	Very high	20 Å²	20	44 Å²	44	21%	0.206	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	10.2	-177	0	0	0	0	0	114.6	S27 Q90	S27-G29 PolarHBondContact O-N 3.01Å; G29-Q90 PolarHBondContact O-N 3.05Å
30	K	97.8	Very high	96.6	Very high	80 Å²	80	43.3 Å²	43.3	35%	0.348	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.2	174.5	-57.5	-170.3	-175.5	-179.5	0	112	L24 S27 P28 I87 A88	L24-K30 HydrophobicContact CD1-CB 4.45Å; S27-K30 WeakPolarHBondContact O-CB 3.24Å; S27-K30 PolarHBondContact O-N 3.08Å; S27-K30 VanDerWaalsContact O-N 3.08Å; P28-K30 VanDerWaalsContact C-N 3.26Å; P28-K30 PolarHBondContact O-N 2.91Å; K30-I87 HydrophobicContact CB-CG2 4.15Å; K30-I87 HydrophobicContact CD-CG2 4.09Å; K30-A88 CarbonylContact C-O 3.41Å; K30-A88 VanDerWaalsContact CA-O 3.29Å; K30-A88 WeakPolarHBondContact CA-O 3.37Å
31	V	98.3	Very high	96.2	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.3	179.4	-68.5	0	0	0	0	111.2	L13 V21 Y22 L33 I87 A88 Q90	L13-V31 HydrophobicContact CD1-CG1 3.72Å; V21-V31 HydrophobicContact CG1-CB 3.72Å; V21-V31 HydrophobicContact CG1-CG1 4.03Å; V21-V31 HydrophobicContact CG1-CG2 3.91Å; Y22-V31 CarbonylContact O-C 3.59Å; Y22-V31 VanDerWaalsContact O-CA 3.24Å; Y22-V31 WeakPolarHBondContact O-CA 3.45Å; Y22-V31 VanDerWaalsContact O-CB 3.32Å; Y22-V31 WeakPolarHBondContact O-CB 3.46Å; V31-L33 HydrophobicContact CG2-CD1 3.86Å; V31-I87 WeakPolarHBondContact O-CA 3.22Å; V31-A88 HydrophobicContact CG2-CB 4.4Å; V31-A88 PolarHBondContact N-O 2.88Å; V31-A88 PolarHBondContact O-N 2.87Å; V31-Q90 HydrophobicContact CG1-CB 3.98Å; V31-Q90 HydrophobicContact CG1-CG 3.96Å
32	L	98.4	Very high	95.6	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.5	169.1	-177.9	74.6	0	0	0	109.2	L7 I9 V21 Y22 L24 C81 A85 I87	L7-L32 HydrophobicContact CD2-CD1 3.96Å; L7-L32 HydrophobicContact CD2-CD2 4.34Å; I9-L32 HydrophobicContact CD1-CD2 3.84Å; I9-L32 HydrophobicContact CG1-CD2 4.28Å; V21-L32 WeakPolarHBondContact CA-O 3.48Å; Y22-L32 PolarHBondContact N-O 2.77Å; Y22-L32 PolarHBondContact O-N 2.89Å; L24-L32 HydrophobicContact CD1-CB 4.49Å; L24-L32 HydrophobicContact CD2-CB 4.04Å; L24-L32 HydrophobicContact CG-CB 4.32Å; L32-C81 HydrophobicContact CD1-CB 4.05Å; L32-A85 HydrophobicContact CD1-CB 3.72Å; L32-A85 HydrophobicContact CG-CB 4.17Å; L32-I87 HydrophobicContact CD1-CG1 4.23Å
33	L	98.4	Very high	94.7	Very high	16 Å²	16	44.7 Å²	44.7	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.9	172.3	-67.7	91.6	0	0	0	108.8	E20 V21 V31 A85 F86 A88	E20-L33 WeakPolarHBondContact O-CA 3.27Å; V21-L33 HydrophobicContact CG2-CD2 4.36Å; V21-L33 HydrophobicContact CG2-CG 4.23Å; V31-L33 HydrophobicContact CG2-CD1 3.86Å; L33-A85 WeakPolarHBondContact O-CA 3.15Å; L33-A85 VanDerWaalsContact O-CB 3.27Å; L33-A85 WeakPolarHBondContact O-CB 3.49Å; L33-F86 HydrophobicContact CB-CD1 4.02Å; L33-F86 HydrophobicContact CB-CE1 3.66Å; L33-F86 HydrophobicContact CB-CE2 4.37Å; L33-F86 HydrophobicContact CB-CZ 3.87Å; L33-F86 HydrophobicContact CD1-CD2 4.29Å; L33-F86 HydrophobicContact CD1-CE2 3.8Å; L33-F86 HydrophobicContact CD1-CZ 3.98Å; L33-F86 HydrophobicContact CD2-CE1 4.2Å; L33-F86 HydrophobicContact CD2-CE2 4.32Å; L33-F86 HydrophobicContact CD2-CZ 3.7Å; L33-F86 HydrophobicContact CG-CE1 4.35Å; L33-F86 HydrophobicContact CG-CE2 4.38Å; L33-F86 HydrophobicContact CG-CZ 4.05Å; L33-F86 PolarHBondContact N-O 2.98Å; L33-F86 PolarHBondContact O-N 2.9Å; L33-F86 VanDerWaalsContact O-N 3.16Å; L33-A88 HydrophobicContact CD1-CB 3.47Å; L33-A88 VanDerWaalsContact CD1-CB 3.47Å
34	Q	98.5	Very high	93.9	Very high	52 Å²	52	43.2 Å²	43.2	24%	0.243	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.9	179.8	172.8	62.1	54.8	0	0	109.9	K19 E20 Y22 T84	K19-Q34 CarbonylContact C-O 3.58Å; K19-Q34 WeakPolarHBondContact CA-O 3.45Å; E20-Q34 HydrophobicContact CB-CB 4.48Å; E20-Q34 PolarHBondContact N-O 2.84Å; E20-Q34 PolarHBondContact O-N 2.84Å; Y22-Q34 HydrophobicContact CD2-CB 4.37Å; Y22-Q34 HydrophobicContact CE2-CB 4.06Å; Q34-T84 PolarHBondContact NE2-OG1 3.01Å; Q34-T84 PolarHBondContact OE1-OG1 3.13Å
35	S	98.3	Very high	93.3	Very high	14 Å²	14	47.6 Å²	47.6	10%	0.098	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	150.5	176.3	-59.9	0	0	0	0	111.6	A54 T84	S35-A54 WeakPolarHBondContact CB-O 3.34Å; S35-T84 WeakPolarHBondContact CB-O 3.31Å; S35-T84 PolarHBondContact N-O 3.35Å; S35-T84 PolarHBondContact OG-O 3.43Å
36	K	97.8	Very high	93.1	Very high	55 Å²	55	46.5 Å²	46.5	24%	0.239	29%	0.285	C	S	.	.			trans	-111.5	148.2	177.1	-64.5	170.1	66.2	165.6	0	111.1	E15 T18 E20 Q38	E15-K36 IonicContact OE1-NZ 2.91Å; E15-K36 PolarHBondContact OE1-NZ 3.46Å; T18-K36 PolarHBondContact O-N 3.16Å; E20-K36 HydrophobicContact CG-CD 4.04Å; K36-Q38 HydrophobicContact CB-CB 4.46Å; K36-Q38 HydrophobicContact CB-CG 4.25Å; K36-Q38 PolarHBondContact O-N 2.82Å
37	D	97.4	Very high	93.1	Very high	48 Å²	48	48.5 Å²	48.5	26%	0.257	29%	0.288	S	S	.	.	S	Bend	trans	-76.1	55.8	174.4	-79.1	-32.2	0	0	0	112	H49 L50 G52 K53 A54	D37-H49 WeakPolarHBondContact O-CA 3.39Å; D37-H49 PolarHBondContact O-CD2 3.25Å; D37-H49 VanDerWaalsContact O-CD2 3.26Å; D37-L50 WeakPolarHBondContact CB-O 3.44Å; D37-L50 PolarHBondContact O-N 3.32Å; D37-G52 PolarHBondContact OD1-N 2.83Å; D37-K53 PolarHBondContact OD1-N 3.47Å; D37-A54 VanDerWaalsContact OD1-CB 3.27Å; D37-A54 WeakPolarHBondContact OD1-CB 3.33Å; D37-A54 PolarHBondContact OD1-N 3.05Å
38	Q	95.9	Very high	93.2	Very high	56 Å²	56	48.5 Å²	48.5	26%	0.262	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.2	-176.6	-66.5	-66.5	-38.5	0	0	110	K36 N48	K36-Q38 HydrophobicContact CB-CB 4.46Å; K36-Q38 HydrophobicContact CB-CG 4.25Å; K36-Q38 PolarHBondContact O-N 2.82Å; Q38-N48 PolarHBondContact OE1-O 3.13Å
39	I	95.3	Very high	93.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.2	169	-167.9	171.7	0	0	0	109.1	K47 N48 L50 K228 Y231 V245 F249	I39-K47 WeakPolarHBondContact O-CA 3.14Å; I39-N48 HydrophobicContact CG2-CB 4.02Å; I39-N48 PolarHBondContact N-O 2.93Å; I39-N48 PolarHBondContact O-N 2.82Å; I39-L50 HydrophobicContact CD1-CD2 4.45Å; I39-L50 HydrophobicContact CG2-CB 4.23Å; I39-L50 HydrophobicContact CG2-CD2 4.45Å; I39-K228 HydrophobicContact CD1-CG 4.46Å; I39-Y231 HydrophobicContact CD1-CD1 3.84Å; I39-Y231 HydrophobicContact CD1-CD2 4.23Å; I39-Y231 HydrophobicContact CD1-CE1 4.33Å; I39-Y231 HydrophobicContact CD1-CG 3.75Å; I39-Y231 HydrophobicContact CG1-CD1 3.95Å; I39-Y231 HydrophobicContact CG1-CE1 4.03Å; I39-Y231 HydrophobicContact CG1-CG 4.35Å; I39-Y231 HydrophobicContact CG2-CE1 4.33Å; I39-Y231 HydrophobicContact CG2-CE2 4.14Å; I39-V245 HydrophobicContact CD1-CG1 3.86Å; I39-F249 HydrophobicContact CD1-CE2 4.44Å; I39-F249 HydrophobicContact CD1-CZ 4.24Å
40	T	92.4	Very high	93.4	Very high	18 Å²	18	47.7 Å²	47.7	11%	0.11	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.3	-175	61.8	0	0	0	0	112.3	K17 R46 K47 K228	K17-T40 HydrophobicContact CB-CG2 4.19Å; T40-R46 CarbonylContact C-O 3.57Å; T40-R46 VanDerWaalsContact CA-O 3.22Å; T40-R46 WeakPolarHBondContact CA-O 3.27Å; T40-K47 HydrophobicContact CG2-CB 4.14Å; T40-K228 WeakPolarHBondContact O-CE 3.5Å; T40-K228 PolarHBondContact O-NZ 3.17Å
41	A	90.4	Very high	93.4	Very high	14 Å²	14	50.4 Å²	50.4	12%	0.116	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.3	172.5	0	0	0	0	0	111.3	R46 Y231 R232	A41-R46 HydrophobicContact CB-CB 4.28Å; A41-R46 PolarHBondContact N-O 3.45Å; A41-R46 PolarHBondContact O-N 2.97Å; A41-Y231 HydrophobicContact CB-CD1 4.05Å; A41-Y231 HydrophobicContact CB-CE1 3.76Å; A41-R232 HydrophobicContact CB-CG 4.2Å
42	G	84.4	Confident	93.3	Very high	57 Å²	57	51.3 Å²	51.3	59%	0.588	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	60.7	179.3	0	0	0	0	0	112.6	A44 A45	G42-A44 VanDerWaalsContact C-N 3.26Å; G42-A44 PolarHBondContact O-N 3.19Å; G42-A45 WeakPolarHBondContact O-CB 3.19Å; G42-A45 PolarHBondContact O-N 3.39Å
43	N	80.2	Confident	93.3	Very high	54 Å²	54	51 Å²	51	29%	0.289	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	40.5	179.9	-60.3	-4.2	0	0	0	114.2	A45 D133 N136	N43-A45 PolarHBondContact O-N 3.12Å; N43-D133 HydrophobicContact CB-CB 4.47Å; N43-D133 PolarHBondContact ND2-O 3.07Å; N43-D133 PolarHBondContact OD1-OD1 3.35Å; N43-N136 PolarHBondContact ND2-OD1 2.71Å
44	A	80	Confident	93.3	Very high	35 Å²	35	50.3 Å²	50.3	29%	0.289	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	9.3	-176.6	0	0	0	0	0	116.2	K17 G42 R46	K17-A44 HydrophobicContact CD-CB 3.94Å; K17-A44 HydrophobicContact CG-CB 4.35Å; G42-A44 VanDerWaalsContact C-N 3.26Å; G42-A44 PolarHBondContact O-N 3.19Å; A44-R46 PolarHBondContact O-N 2.84Å
45	A	83.9	Confident	93.3	Very high	99 Å²	99	49.2 Å²	49.2	82%	0.818	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.6	169	0	0	0	0	0	111.9	G42 N43	G42-A45 WeakPolarHBondContact O-CB 3.19Å; G42-A45 PolarHBondContact O-N 3.39Å; N43-A45 PolarHBondContact O-N 3.12Å
46	R	91.6	Very high	93.3	Very high	68 Å²	68	49.4 Å²	49.4	26%	0.257	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.6	168.8	-165.2	-173.1	-85.5	-170.3	-7	109.1	T40 A41 A44 Y231 L234 K235 V237	T40-R46 CarbonylContact C-O 3.57Å; T40-R46 VanDerWaalsContact CA-O 3.22Å; T40-R46 WeakPolarHBondContact CA-O 3.27Å; A41-R46 HydrophobicContact CB-CB 4.28Å; A41-R46 PolarHBondContact N-O 3.45Å; A41-R46 PolarHBondContact O-N 2.97Å; A44-R46 PolarHBondContact O-N 2.84Å; R46-Y231 HydrophobicContact CG-CE1 4.35Å; R46-Y231 WeakPolarHBondContact CG-OH 3.2Å; R46-Y231 PolarHBondContact NH1-O 2.78Å; R46-L234 VanDerWaalsContact CZ-O 3.3Å; R46-L234 PolarHBondContact NH1-O 3.32Å; R46-L234 PolarHBondContact NH2-O 2.88Å; R46-K235 PolarHBondContact NH2-O 2.83Å; R46-V237 HydrophobicContact CG-CG2 4.14Å
47	K	93.9	Very high	93.4	Very high	150 Å²	150	47.2 Å²	47.2	65%	0.652	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.9	178.8	66.4	-176.7	-177.8	-179.1	0	111.2	I39 T40	I39-K47 WeakPolarHBondContact O-CA 3.14Å; T40-K47 HydrophobicContact CG2-CB 4.14Å
48	N	96.4	Very high	93.4	Very high	43 Å²	43	45 Å²	45	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.6	174.2	-65.1	93.4	0	0	0	110.4	Q38 I39 Y231 L242	Q38-N48 PolarHBondContact OE1-O 3.13Å; I39-N48 HydrophobicContact CG2-CB 4.02Å; I39-N48 PolarHBondContact N-O 2.93Å; I39-N48 PolarHBondContact O-N 2.82Å; N48-Y231 PolarHBondContact OD1-OH 2.99Å; N48-L242 HydrophobicContact CB-CD1 4.04Å; N48-L242 HydrophobicContact CB-CD2 4.13Å
49	H	96.7	Very high	93.6	Very high	115 Å²	115	44.4 Å²	44.4	53%	0.532	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.4	162.6	179.2	-98.1	0	0	0	109.1	D37	D37-H49 WeakPolarHBondContact O-CA 3.39Å; D37-H49 PolarHBondContact O-CD2 3.25Å; D37-H49 VanDerWaalsContact O-CD2 3.26Å
50	L	95.9	Very high	93.7	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.052	26%	0.26	C	S	.	.			trans	-138	96.6	176.7	-170.9	65.4	0	0	0	109	D37 I39 G52 K53 L242 V245 K246	D37-L50 WeakPolarHBondContact CB-O 3.44Å; D37-L50 PolarHBondContact O-N 3.32Å; I39-L50 HydrophobicContact CD1-CD2 4.45Å; I39-L50 HydrophobicContact CG2-CB 4.23Å; I39-L50 HydrophobicContact CG2-CD2 4.45Å; L50-G52 PolarHBondContact O-N 3.44Å; L50-K53 HydrophobicContact CB-CB 4.12Å; L50-K53 HydrophobicContact CD2-CB 4.28Å; L50-K53 HydrophobicContact CG-CB 4.3Å; L50-K53 WeakPolarHBondContact O-CB 3.39Å; L50-K53 PolarHBondContact O-N 2.78Å; L50-K53 VanDerWaalsContact O-N 3.1Å; L50-L242 HydrophobicContact CD1-CB 4.49Å; L50-V245 HydrophobicContact CD2-CG1 4.5Å; L50-K246 HydrophobicContact CD1-CB 4.16Å; L50-K246 HydrophobicContact CD1-CD 4.45Å
51	E	97.4	Very high	94.1	Very high	138 Å²	138	43.6 Å²	43.6	65%	0.645	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	128.5	-177.2	-173.3	-175.5	172.9	0	0	111.9	K53 K246	E51-K53 VanDerWaalsContact C-N 3.34Å; E51-K246 WeakPolarHBondContact O-CE 3.47Å; E51-K246 PolarHBondContact O-NZ 3Å
52	G	96.8	Very high	94.5	Very high	26 Å²	26	43.2 Å²	43.2	27%	0.268	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-8.1	-179.4	0	0	0	0	0	114.6	D37 L50 A54 A55 I56	D37-G52 PolarHBondContact OD1-N 2.83Å; L50-G52 PolarHBondContact O-N 3.44Å; G52-A54 VanDerWaalsContact C-N 3.25Å; G52-A54 PolarHBondContact O-N 2.83Å; G52-A55 PolarHBondContact O-N 3.02Å; G52-I56 WeakPolarHBondContact O-CG1 3.41Å; G52-I56 PolarHBondContact O-N 2.98Å
53	K	98	Very high	95.1	Very high	3 Å²	3	41 Å²	41	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-37.2	175.7	172.1	62.9	165.7	94.1	0	111.7	D37 L50 E51 I56 S57 D210 D212 F249	D37-K53 PolarHBondContact OD1-N 3.47Å; L50-K53 HydrophobicContact CB-CB 4.12Å; L50-K53 HydrophobicContact CD2-CB 4.28Å; L50-K53 HydrophobicContact CG-CB 4.3Å; L50-K53 WeakPolarHBondContact O-CB 3.39Å; L50-K53 PolarHBondContact O-N 2.78Å; L50-K53 VanDerWaalsContact O-N 3.1Å; E51-K53 VanDerWaalsContact C-N 3.34Å; K53-I56 PolarHBondContact O-N 3.1Å; K53-S57 WeakPolarHBondContact CD-OG 3.35Å; K53-S57 PolarHBondContact NZ-OG 2.74Å; K53-S57 WeakPolarHBondContact O-CB 3.4Å; K53-S57 PolarHBondContact O-N 2.87Å; K53-S57 PolarHBondContact O-OG 2.89Å; K53-D210 IonicContact NZ-OD2 3.03Å; K53-D210 PolarHBondContact NZ-OD2 3.06Å; K53-D212 VanDerWaalsContact CE-OD1 3.3Å; K53-D212 WeakPolarHBondContact CE-OD1 3.4Å; K53-D212 IonicContact NZ-OD1 2.79Å; K53-D212 PolarHBondContact NZ-OD1 3.33Å; K53-D212 IonicContact NZ-OD2 2.77Å; K53-D212 PolarHBondContact NZ-OD2 3Å; K53-F249 HydrophobicContact CD-CD1 3.66Å; K53-F249 HydrophobicContact CD-CE1 3.64Å
54	A	98.3	Very high	96	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-59.7	-48	178.3	0	0	0	0	0	111.3	S35 D37 G52 S57 N58 T84	S35-A54 WeakPolarHBondContact CB-O 3.34Å; D37-A54 VanDerWaalsContact OD1-CB 3.27Å; D37-A54 WeakPolarHBondContact OD1-CB 3.33Å; D37-A54 PolarHBondContact OD1-N 3.05Å; G52-A54 VanDerWaalsContact C-N 3.25Å; G52-A54 PolarHBondContact O-N 2.83Å; A54-S57 PolarHBondContact O-N 2.97Å; A54-N58 WeakPolarHBondContact O-CB 3.26Å; A54-N58 PolarHBondContact O-N 3.37Å; A54-T84 HydrophobicContact CB-CG2 3.78Å
55	A	98.6	Very high	96.9	Very high	28 Å²	28	36.8 Å²	36.8	23%	0.231	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-43.3	179.7	0	0	0	0	0	111.6	G52 S57 N58 K59 E83 T84	G52-A55 PolarHBondContact O-N 3.02Å; A55-S57 PolarHBondContact O-N 3.29Å; A55-N58 PolarHBondContact O-N 3.18Å; A55-K59 VanDerWaalsContact O-CB 3.32Å; A55-K59 WeakPolarHBondContact O-CB 3.45Å; A55-K59 PolarHBondContact O-N 2.57Å; A55-E83 WeakPolarHBondContact CA-O 3.34Å; A55-E83 HydrophobicContact CB-CB 4.28Å; A55-T84 HydrophobicContact CB-CG2 4.2Å
56	I	98.6	Very high	97.6	Very high	19 Å²	19	35.6 Å²	35.6	10%	0.097	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-48.6	175.9	-70.3	165.6	0	0	0	111.1	G52 K53 K59 I60 F249 E250 A253	G52-I56 WeakPolarHBondContact O-CG1 3.41Å; G52-I56 PolarHBondContact O-N 2.98Å; K53-I56 PolarHBondContact O-N 3.1Å; I56-K59 PolarHBondContact O-N 2.76Å; I56-I60 HydrophobicContact CG2-CD1 3.69Å; I56-I60 HydrophobicContact CG2-CG1 4.47Å; I56-I60 VanDerWaalsContact O-CG1 3.29Å; I56-I60 WeakPolarHBondContact O-CG1 3.06Å; I56-I60 PolarHBondContact O-N 3.36Å; I56-F249 HydrophobicContact CD1-CB 4.23Å; I56-F249 HydrophobicContact CG2-CB 4.13Å; I56-F249 HydrophobicContact CG2-CD1 4.19Å; I56-E250 HydrophobicContact CD1-CG 3.82Å; I56-A253 HydrophobicContact CB-CB 4.44Å; I56-A253 HydrophobicContact CG1-CB 4.18Å; I56-A253 HydrophobicContact CG2-CB 3.89Å
57	S	98.7	Very high	98	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-47.1	-177.9	-49.2	0	0	0	0	110.8	K53 A54 A55 K59 I60 T61 D210	K53-S57 WeakPolarHBondContact CD-OG 3.35Å; K53-S57 PolarHBondContact NZ-OG 2.74Å; K53-S57 WeakPolarHBondContact O-CB 3.4Å; K53-S57 PolarHBondContact O-N 2.87Å; K53-S57 PolarHBondContact O-OG 2.89Å; A54-S57 PolarHBondContact O-N 2.97Å; A55-S57 PolarHBondContact O-N 3.29Å; S57-K59 PolarHBondContact O-N 2.75Å; S57-I60 PolarHBondContact O-N 2.99Å; S57-T61 WeakPolarHBondContact O-CB 3.48Å; S57-T61 PolarHBondContact O-N 2.91Å; S57-T61 PolarHBondContact O-OG1 3.44Å; S57-D210 WeakPolarHBondContact CB-OD2 3.4Å; S57-D210 PolarHBondContact OG-OD2 2.88Å
58	N	98.8	Very high	98.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-39.9	178.1	-175.8	57.9	0	0	0	112.6	A54 A55 S62 G82 E83 A85 F86	A54-N58 WeakPolarHBondContact O-CB 3.26Å; A54-N58 PolarHBondContact O-N 3.37Å; A55-N58 PolarHBondContact O-N 3.18Å; N58-S62 WeakPolarHBondContact O-CB 3.48Å; N58-S62 PolarHBondContact O-N 2.82Å; N58-S62 PolarHBondContact O-OG 3.46Å; N58-G82 PolarHBondContact ND2-O 3.43Å; N58-E83 WeakPolarHBondContact CB-O 3.31Å; N58-E83 VanDerWaalsContact ND2-C 3.33Å; N58-E83 PolarHBondContact ND2-O 2.81Å; N58-A85 PolarHBondContact ND2-N 3.39Å; N58-A85 VanDerWaalsContact ND2-N 3.19Å; N58-A85 PolarHBondContact ND2-O 2.78Å; N58-A85 PolarHBondContact OD1-O 2.9Å; N58-A85 VanDerWaalsContact OD1-O 3.12Å; N58-F86 WeakPolarHBondContact OD1-CD1 3.22Å; N58-F86 PolarHBondContact OD1-N 3.02Å
59	K	98.8	Very high	98.3	Very high	43 Å²	43	27.4 Å²	27.4	19%	0.187	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-51.4	174.7	-174.8	-177.2	-175.1	-170.3	0	110.9	A55 I56 S57 S62 C63 A253 E257	A55-K59 VanDerWaalsContact O-CB 3.32Å; A55-K59 WeakPolarHBondContact O-CB 3.45Å; A55-K59 PolarHBondContact O-N 2.57Å; I56-K59 PolarHBondContact O-N 2.76Å; S57-K59 PolarHBondContact O-N 2.75Å; K59-S62 PolarHBondContact O-N 3.33Å; K59-C63 PolarHBondContact O-N 3.31Å; K59-C63 PolarHBondContact O-SG 2.88Å; K59-A253 HydrophobicContact CD-CB 4.47Å; K59-A253 WeakPolarHBondContact CE-O 3.21Å; K59-A253 PolarHBondContact NZ-O 3.34Å; K59-E257 WeakPolarHBondContact CE-OE1 3.27Å; K59-E257 VanDerWaalsContact CE-OE2 3.32Å; K59-E257 WeakPolarHBondContact CE-OE2 3.33Å; K59-E257 VanDerWaalsContact NZ-CD 3.27Å; K59-E257 IonicContact NZ-OE1 3.67Å; K59-E257 PolarHBondContact NZ-OE1 3.36Å; K59-E257 IonicContact NZ-OE2 3.13Å; K59-E257 PolarHBondContact NZ-OE2 2.78Å
60	I	98.9	Very high	98.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-52.8	-179.2	-66.1	168	0	0	0	110.1	I56 S57 S62 C63 I64 N211 W214 V252 V256	I56-I60 HydrophobicContact CG2-CD1 3.69Å; I56-I60 HydrophobicContact CG2-CG1 4.47Å; I56-I60 VanDerWaalsContact O-CG1 3.29Å; I56-I60 WeakPolarHBondContact O-CG1 3.06Å; I56-I60 PolarHBondContact O-N 3.36Å; S57-I60 PolarHBondContact O-N 2.99Å; I60-S62 VanDerWaalsContact C-N 3.34Å; I60-S62 PolarHBondContact O-N 2.88Å; I60-C63 PolarHBondContact O-N 3.48Å; I60-I64 HydrophobicContact CG2-CG1 4.17Å; I60-I64 WeakPolarHBondContact O-CB 2.96Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.17Å; I60-I64 PolarHBondContact O-N 2.98Å; I60-N211 HydrophobicContact CD1-CB 3.97Å; I60-W214 HydrophobicContact CG2-CH2 4.01Å; I60-W214 HydrophobicContact CG2-CZ2 4.2Å; I60-V252 HydrophobicContact CD1-CB 4.33Å; I60-V252 HydrophobicContact CD1-CG1 3.77Å; I60-V252 HydrophobicContact CG1-CG1 4.34Å; I60-V256 HydrophobicContact CG1-CB 4.43Å; I60-V256 HydrophobicContact CG1-CG1 4.09Å; I60-V256 HydrophobicContact CG2-CG2 4.18Å
61	T	98.8	Very high	98.6	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-42.4	179.9	-62.8	0	0	0	0	112.5	S57 C63 I64 F65 F86 V208 I209	S57-T61 WeakPolarHBondContact O-CB 3.48Å; S57-T61 PolarHBondContact O-N 2.91Å; S57-T61 PolarHBondContact O-OG1 3.44Å; T61-C63 VanDerWaalsContact C-N 3.35Å; T61-C63 PolarHBondContact O-N 2.96Å; T61-I64 PolarHBondContact O-N 3.3Å; T61-F65 HydrophobicContact CG2-CD1 4.38Å; T61-F65 HydrophobicContact CG2-CD2 3.52Å; T61-F65 HydrophobicContact CG2-CE1 4.3Å; T61-F65 HydrophobicContact CG2-CE2 3.42Å; T61-F65 VanDerWaalsContact CG2-CE2 3.42Å; T61-F65 HydrophobicContact CG2-CG 4.04Å; T61-F65 HydrophobicContact CG2-CZ 3.84Å; T61-F65 VanDerWaalsContact O-CB 3.28Å; T61-F65 WeakPolarHBondContact O-CB 3.44Å; T61-F65 WeakPolarHBondContact O-CG 3.22Å; T61-F65 PolarHBondContact O-N 3.04Å; T61-F86 HydrophobicContact CG2-CE1 4.1Å; T61-F86 HydrophobicContact CG2-CZ 4.19Å; T61-V208 HydrophobicContact CG2-CB 3.98Å; T61-V208 HydrophobicContact CG2-CG1 4.12Å; T61-I209 WeakPolarHBondContact CA-O 3.44Å; T61-I209 PolarHBondContact N-O 3.2Å; T61-I209 VanDerWaalsContact OG1-C 3.28Å; T61-I209 PolarHBondContact OG1-N 2.68Å; T61-I209 PolarHBondContact OG1-O 2.71Å
62	S	98.8	Very high	98.6	Very high	6 Å²	6	21.1 Å²	21.1	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-42.4	177.9	-63.1	0	0	0	0	112	N58 K59 I60 Q66	N58-S62 WeakPolarHBondContact O-CB 3.48Å; N58-S62 PolarHBondContact O-N 2.82Å; N58-S62 PolarHBondContact O-OG 3.46Å; K59-S62 PolarHBondContact O-N 3.33Å; I60-S62 VanDerWaalsContact C-N 3.34Å; I60-S62 PolarHBondContact O-N 2.88Å; S62-Q66 VanDerWaalsContact O-CB 3.25Å; S62-Q66 WeakPolarHBondContact O-CB 3.36Å; S62-Q66 PolarHBondContact O-N 3.43Å
63	C	98.9	Very high	98.7	Very high	10 Å²	10	20.3 Å²	20.3	7%	0.068	11%	0.112	C	C	.	.	H	α-helix	trans	-66.9	-45.2	177.6	-63.8	0	0	0	0	111.7	K59 I60 T61 Q66 L67 V256 E257 L260	K59-C63 PolarHBondContact O-N 3.31Å; K59-C63 PolarHBondContact O-SG 2.88Å; I60-C63 PolarHBondContact O-N 3.48Å; T61-C63 VanDerWaalsContact C-N 3.35Å; T61-C63 PolarHBondContact O-N 2.96Å; C63-Q66 PolarHBondContact O-N 2.75Å; C63-L67 WeakPolarHBondContact O-CB 3.16Å; C63-L67 PolarHBondContact O-N 2.91Å; C63-V256 HydrophobicContact CB-CG1 4.12Å; C63-V256 HydrophobicContact CB-CG2 3.84Å; C63-E257 WeakPolarHBondContact SG-CG 3.41Å; C63-L260 HydrophobicContact CB-CD1 4.35Å
64	I	98.9	Very high	98.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-67	-42.3	-179	-66.2	-60.3	0	0	0	111.4	I60 T61 L67 L68 L176 I209 W214 V256 L259	I60-I64 HydrophobicContact CG2-CG1 4.17Å; I60-I64 WeakPolarHBondContact O-CB 2.96Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.17Å; I60-I64 PolarHBondContact O-N 2.98Å; T61-I64 PolarHBondContact O-N 3.3Å; I64-L67 WeakPolarHBondContact O-CB 3.32Å; I64-L67 PolarHBondContact O-N 3.5Å; I64-L68 HydrophobicContact CG2-CD1 3.85Å; I64-L68 HydrophobicContact CG2-CG 4.46Å; I64-L68 WeakPolarHBondContact O-CB 3.37Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.44Å; I64-L68 PolarHBondContact O-N 2.61Å; I64-L176 HydrophobicContact CD1-CD2 4.1Å; I64-L176 HydrophobicContact CG2-CD1 4.05Å; I64-L176 HydrophobicContact CG2-CD2 3.9Å; I64-I209 HydrophobicContact CG2-CB 3.88Å; I64-I209 HydrophobicContact CG2-CD1 4.06Å; I64-I209 HydrophobicContact CG2-CG2 3.87Å; I64-W214 HydrophobicContact CD1-CH2 3.93Å; I64-W214 HydrophobicContact CD1-CZ3 3.96Å; I64-W214 HydrophobicContact CG1-CH2 4.05Å; I64-W214 HydrophobicContact CG1-CZ3 4.14Å; I64-V256 HydrophobicContact CD1-CG2 3.84Å; I64-V256 HydrophobicContact CG1-CG2 3.97Å; I64-L259 HydrophobicContact CD1-CD2 4Å
65	F	98.9	Very high	98.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.2	-38.1	176.6	-74.4	-6.5	0	0	0	112.2	T61 L68 Q69 T75 F77 F86 L205 I209	T61-F65 HydrophobicContact CG2-CD1 4.38Å; T61-F65 HydrophobicContact CG2-CD2 3.52Å; T61-F65 HydrophobicContact CG2-CE1 4.3Å; T61-F65 HydrophobicContact CG2-CE2 3.42Å; T61-F65 VanDerWaalsContact CG2-CE2 3.42Å; T61-F65 HydrophobicContact CG2-CG 4.04Å; T61-F65 HydrophobicContact CG2-CZ 3.84Å; T61-F65 VanDerWaalsContact O-CB 3.28Å; T61-F65 WeakPolarHBondContact O-CB 3.44Å; T61-F65 WeakPolarHBondContact O-CG 3.22Å; T61-F65 PolarHBondContact O-N 3.04Å; F65-L68 PolarHBondContact O-N 3.04Å; F65-Q69 WeakPolarHBondContact O-CB 3.46Å; F65-Q69 PolarHBondContact O-N 3.48Å; F65-T75 HydrophobicContact CB-CG2 3.98Å; F65-T75 HydrophobicContact CD1-CG2 3.69Å; F65-T75 HydrophobicContact CD2-CG2 4.08Å; F65-T75 HydrophobicContact CE1-CG2 4.09Å; F65-T75 HydrophobicContact CE2-CG2 4.45Å; F65-T75 HydrophobicContact CG-CG2 3.67Å; F65-T75 HydrophobicContact CZ-CG2 4.45Å; F65-F77 HydrophobicContact CB-CB 3.71Å; F65-F77 HydrophobicContact CB-CD1 4.02Å; F65-F77 HydrophobicContact CB-CD2 3.9Å; F65-F77 HydrophobicContact CB-CG 3.61Å; F65-F77 HydrophobicContact CD2-CB 3.81Å; F65-F77 AromaticContact CD2-CD2 3.84Å; F65-F77 HydrophobicContact CD2-CD2 3.84Å; F65-F77 HydrophobicContact CD2-CG 4.08Å; F65-F77 HydrophobicContact CG-CB 4.15Å; F65-F77 HydrophobicContact CG-CD2 4.41Å; F65-F77 HydrophobicContact CG-CG 4.36Å; F65-F86 HydrophobicContact CD2-CE2 4.32Å; F65-F86 HydrophobicContact CE2-CE2 4.18Å; F65-F86 HydrophobicContact CE2-CZ 4.09Å; F65-L205 HydrophobicContact CD1-CD2 4.18Å; F65-L205 HydrophobicContact CE1-CD2 3.85Å; F65-L205 HydrophobicContact CE1-CG 4.08Å; F65-I209 HydrophobicContact CE1-CB 4.25Å; F65-I209 HydrophobicContact CE1-CD1 4Å; F65-I209 HydrophobicContact CE1-CG1 3.85Å
66	Q	98.9	Very high	98.8	Very high	74 Å²	74	24.4 Å²	24.4	35%	0.346	13%	0.126	S	C	.	.	H	α-helix	trans	-59.7	-49.4	171.4	-179.1	178	-7.4	0	0	111.3	S62 C63 L68 Q69 E70 F77 L260	S62-Q66 VanDerWaalsContact O-CB 3.25Å; S62-Q66 WeakPolarHBondContact O-CB 3.36Å; S62-Q66 PolarHBondContact O-N 3.43Å; C63-Q66 PolarHBondContact O-N 2.75Å; Q66-L68 PolarHBondContact O-N 2.86Å; Q66-Q69 PolarHBondContact O-N 2.91Å; Q66-E70 HydrophobicContact CG-CG 4.31Å; Q66-E70 VanDerWaalsContact CG-OE1 3.29Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.33Å; Q66-E70 PolarHBondContact NE2-OE1 2.64Å; Q66-E70 WeakPolarHBondContact O-CB 3.32Å; Q66-E70 WeakPolarHBondContact O-CG 3.22Å; Q66-E70 PolarHBondContact O-N 3.35Å; Q66-F77 HydrophobicContact CB-CE1 4.35Å; Q66-L260 HydrophobicContact CB-CD2 4.38Å; Q66-L260 HydrophobicContact CG-CD2 4.17Å
67	L	98.9	Very high	98.8	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-54.3	-50.4	177.1	172.2	65.2	0	0	0	111.8	C63 I64 E70 A71 L176 L259 L260 L397	C63-L67 WeakPolarHBondContact O-CB 3.16Å; C63-L67 PolarHBondContact O-N 2.91Å; I64-L67 WeakPolarHBondContact O-CB 3.32Å; I64-L67 PolarHBondContact O-N 3.5Å; L67-E70 PolarHBondContact O-N 2.99Å; L67-A71 WeakPolarHBondContact O-CB 2.96Å; L67-A71 PolarHBondContact O-N 3.32Å; L67-L176 HydrophobicContact CD2-CD2 3.98Å; L67-L259 HydrophobicContact CD2-CB 4.19Å; L67-L259 HydrophobicContact CD2-CD2 4.29Å; L67-L260 HydrophobicContact CB-CD2 3.74Å; L67-L260 HydrophobicContact CD1-CD2 4.47Å; L67-L397 HydrophobicContact CD1-CD2 3.68Å
68	L	98.9	Very high	98.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.7	-40.3	-178.4	-69.5	170.3	0	0	0	111.8	I64 F65 Q66 A71 G72 I73 I172 I175 L176 L205 I209	I64-L68 HydrophobicContact CG2-CD1 3.85Å; I64-L68 HydrophobicContact CG2-CG 4.46Å; I64-L68 WeakPolarHBondContact O-CB 3.37Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.44Å; I64-L68 PolarHBondContact O-N 2.61Å; F65-L68 PolarHBondContact O-N 3.04Å; Q66-L68 PolarHBondContact O-N 2.86Å; L68-A71 PolarHBondContact O-N 2.85Å; L68-G72 PolarHBondContact O-N 3.32Å; L68-G72 VanDerWaalsContact O-N 3.12Å; L68-I73 HydrophobicContact CB-CB 4.11Å; L68-I73 HydrophobicContact CB-CG1 4.39Å; L68-I73 HydrophobicContact CD2-CG1 4.16Å; L68-I73 WeakPolarHBondContact O-CB 3.29Å; L68-I73 PolarHBondContact O-N 2.85Å; L68-I172 HydrophobicContact CD1-CG2 3.88Å; L68-I172 HydrophobicContact CD2-CG2 4.01Å; L68-I175 HydrophobicContact CD2-CB 4.16Å; L68-I175 HydrophobicContact CD2-CD1 4.43Å; L68-I175 HydrophobicContact CD2-CG2 3.68Å; L68-L176 HydrophobicContact CD1-CD2 4.36Å; L68-L176 HydrophobicContact CD2-CD2 4.02Å; L68-L176 HydrophobicContact CD2-CG 4.39Å; L68-L176 HydrophobicContact CG-CD2 4.18Å; L68-L205 HydrophobicContact CD1-CD2 3.55Å; L68-I209 HydrophobicContact CD1-CD1 4Å
69	Q	98.8	Very high	98.7	Very high	85 Å²	85	30.5 Å²	30.5	40%	0.397	15%	0.153	S	C	.	.	H	α-helix	trans	-66.8	-42.4	177.4	-169.1	173.1	44.7	0	0	111.6	F65 Q66 A71 G72 F77	F65-Q69 WeakPolarHBondContact O-CB 3.46Å; F65-Q69 PolarHBondContact O-N 3.48Å; Q66-Q69 PolarHBondContact O-N 2.91Å; Q69-A71 VanDerWaalsContact C-N 3.3Å; Q69-A71 PolarHBondContact O-N 2.89Å; Q69-G72 WeakPolarHBondContact O-CA 3.3Å; Q69-G72 PolarHBondContact O-N 3.43Å; Q69-F77 PolarHBondContact NE2-O 3.48Å
70	E	98.7	Very high	98.7	Very high	93 Å²	93	31.9 Å²	31.9	44%	0.435	16%	0.159	S	C	.	.	H	α-helix	trans	-66.4	-30.7	174.5	-73.3	179.8	-168.8	0	0	112.5	Q66 L67 G72 K401	Q66-E70 HydrophobicContact CG-CG 4.31Å; Q66-E70 VanDerWaalsContact CG-OE1 3.29Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.33Å; Q66-E70 PolarHBondContact NE2-OE1 2.64Å; Q66-E70 WeakPolarHBondContact O-CB 3.32Å; Q66-E70 WeakPolarHBondContact O-CG 3.22Å; Q66-E70 PolarHBondContact O-N 3.35Å; L67-E70 PolarHBondContact O-N 2.99Å; E70-G72 VanDerWaalsContact C-N 3.26Å; E70-K401 PolarHBondContact O-NZ 3.03Å
71	A	98.8	Very high	98.6	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	17%	0.167	C	C	.	.	H	α-helix	trans	-69.6	-23.9	170.4	0	0	0	0	0	112.6	L67 L68 Q69 I175 K401 A404	L67-A71 WeakPolarHBondContact O-CB 2.96Å; L67-A71 PolarHBondContact O-N 3.32Å; L68-A71 PolarHBondContact O-N 2.85Å; Q69-A71 VanDerWaalsContact C-N 3.3Å; Q69-A71 PolarHBondContact O-N 2.89Å; A71-I175 HydrophobicContact CB-CD1 4.45Å; A71-K401 WeakPolarHBondContact O-CA 3.36Å; A71-A404 HydrophobicContact CB-CB 4.49Å; A71-A404 WeakPolarHBondContact O-CB 3.32Å
72	G	98.6	Very high	98.5	Very high	29 Å²	29	35.6 Å²	35.6	30%	0.299	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.7	12.9	179.8	0	0	0	0	0	114.6	L68 Q69 E70 N408	L68-G72 PolarHBondContact O-N 3.32Å; L68-G72 VanDerWaalsContact O-N 3.12Å; Q69-G72 WeakPolarHBondContact O-CA 3.3Å; Q69-G72 PolarHBondContact O-N 3.43Å; E70-G72 VanDerWaalsContact C-N 3.26Å; G72-N408 PolarHBondContact O-ND2 2.94Å
73	I	98.8	Very high	98.5	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.046	22%	0.217	C	C	.	.			trans	-74.4	133.1	169.7	-58.3	-60.9	0	0	0	109.3	L68 T75 I172 I175 A404 L407	L68-I73 HydrophobicContact CB-CB 4.11Å; L68-I73 HydrophobicContact CB-CG1 4.39Å; L68-I73 HydrophobicContact CD2-CG1 4.16Å; L68-I73 WeakPolarHBondContact O-CB 3.29Å; L68-I73 PolarHBondContact O-N 2.85Å; I73-T75 PolarHBondContact O-N 3.49Å; I73-T75 PolarHBondContact O-OG1 3.23Å; I73-I172 HydrophobicContact CD1-CG1 4.37Å; I73-I172 HydrophobicContact CG1-CG1 4.37Å; I73-I172 HydrophobicContact CG2-CD1 4.02Å; I73-I172 HydrophobicContact CG2-CG1 3.9Å; I73-I175 HydrophobicContact CD1-CD1 3.89Å; I73-I175 HydrophobicContact CG1-CD1 3.85Å; I73-A404 HydrophobicContact CD1-CB 3.76Å; I73-A404 HydrophobicContact CG1-CB 4.24Å; I73-L407 HydrophobicContact CD1-CD2 3.8Å
74	K	98.7	Very high	98.4	Very high	102 Å²	102	42.6 Å²	42.6	44%	0.443	23%	0.227	S	C	.	.			trans	-71.5	110.9	174.9	-61.8	-67.7	-168.7	139.3	0	110	E202 V204 L205	K74-E202 IonicContact NZ-OE1 3.96Å; K74-E202 IonicContact NZ-OE2 2.81Å; K74-E202 PolarHBondContact NZ-OE2 3.24Å; K74-V204 HydrophobicContact CB-CG1 4.11Å; K74-L205 PolarHBondContact O-N 3Å
75	T	98.8	Very high	98.4	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.074	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-134.5	135.9	-170.3	-51.9	0	0	0	0	110.7	F65 I73 F77 L205	F65-T75 HydrophobicContact CB-CG2 3.98Å; F65-T75 HydrophobicContact CD1-CG2 3.69Å; F65-T75 HydrophobicContact CD2-CG2 4.08Å; F65-T75 HydrophobicContact CE1-CG2 4.09Å; F65-T75 HydrophobicContact CE2-CG2 4.45Å; F65-T75 HydrophobicContact CG-CG2 3.67Å; F65-T75 HydrophobicContact CZ-CG2 4.45Å; I73-T75 PolarHBondContact O-N 3.49Å; I73-T75 PolarHBondContact O-OG1 3.23Å; T75-F77 HydrophobicContact CG2-CB 4.17Å; T75-F77 PolarHBondContact O-N 3.3Å; T75-L205 CarbonylContact C-O 3.55Å; T75-L205 WeakPolarHBondContact CA-O 3.33Å; T75-L205 HydrophobicContact CG2-CB 4.28Å; T75-L205 HydrophobicContact CG2-CD2 3.94Å; T75-L205 HydrophobicContact CG2-CG 4.13Å
76	A	98.7	Very high	98.4	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	23%	0.229	C	C	.	.	S	Bend	trans	-74.6	70.2	173.8	0	0	0	0	0	110.8	A88 V204 L205 A206	A76-A88 HydrophobicContact CB-CB 4.46Å; A76-A88 WeakPolarHBondContact O-CB 3.26Å; A76-V204 HydrophobicContact CB-CG2 3.92Å; A76-L205 WeakPolarHBondContact CB-O 3.44Å; A76-L205 PolarHBondContact N-O 2.98Å; A76-A206 HydrophobicContact CB-CB 3.98Å
77	F	98.7	Very high	98.4	Very high	14 Å²	14	39.6 Å²	39.6	6%	0.061	21%	0.214	C	C	.	.			trans	-142.3	130	177.1	-178.2	-106.4	0	0	0	109.8	F65 Q66 Q69 T75 F86	F65-F77 HydrophobicContact CB-CB 3.71Å; F65-F77 HydrophobicContact CB-CD1 4.02Å; F65-F77 HydrophobicContact CB-CD2 3.9Å; F65-F77 HydrophobicContact CB-CG 3.61Å; F65-F77 HydrophobicContact CD2-CB 3.81Å; F65-F77 AromaticContact CD2-CD2 3.84Å; F65-F77 HydrophobicContact CD2-CD2 3.84Å; F65-F77 HydrophobicContact CD2-CG 4.08Å; F65-F77 HydrophobicContact CG-CB 4.15Å; F65-F77 HydrophobicContact CG-CD2 4.41Å; F65-F77 HydrophobicContact CG-CG 4.36Å; Q66-F77 HydrophobicContact CB-CE1 4.35Å; Q69-F77 PolarHBondContact NE2-O 3.48Å; T75-F77 HydrophobicContact CG2-CB 4.17Å; T75-F77 PolarHBondContact O-N 3.3Å; F77-F86 HydrophobicContact CD2-CB 4.45Å; F77-F86 AromaticContact CD2-CD2 3.62Å; F77-F86 HydrophobicContact CD2-CD2 3.62Å; F77-F86 HydrophobicContact CD2-CE2 4.14Å; F77-F86 HydrophobicContact CD2-CG 4.28Å; F77-F86 HydrophobicContact CE2-CB 3.96Å; F77-F86 AromaticContact CE2-CD2 3.99Å; F77-F86 HydrophobicContact CE2-CD2 3.99Å; F77-F86 HydrophobicContact CE2-CG 4.2Å
78	T	98.1	Very high	98.4	Very high	53 Å²	53	39.7 Å²	39.7	33%	0.325	22%	0.215	S	C	.	.			trans	-106	-57.7	174	-57.4	0	0	0	0	110.8	I87	T78-I87 WeakPolarHBondContact CA-O 3.29Å; T78-I87 WeakPolarHBondContact CB-O 3.42Å; T78-I87 HydrophobicContact CG2-CG2 4.44Å; T78-I87 PolarHBondContact N-O 2.9Å
79	R	98.2	Very high	98.4	Very high	90 Å²	90	41 Å²	41	34%	0.34	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	157.1	178.9	59.7	174.9	-176.7	72.4	-7.7	111.8	E5 F86 I87	E5-R79 IonicContact OE2-CZ 3.29Å; E5-R79 IonicContact OE2-NH2 2.67Å; E5-R79 PolarHBondContact OE2-NH2 2.97Å; R79-F86 WeakPolarHBondContact O-CA 3.27Å; R79-F86 WeakPolarHBondContact O-CB 3.38Å; R79-I87 HydrophobicContact CG-CD1 4.46Å; R79-I87 PolarHBondContact N-O 2.93Å; R79-I87 PolarHBondContact O-N 3.23Å
80	K	97.9	Very high	98.3	Very high	73 Å²	73	40.3 Å²	40.3	32%	0.317	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	145.8	164.2	-164.4	-175.7	-174.9	-157.1	0	109.7	G82 E83	K80-G82 WeakPolarHBondContact CE-O 3.35Å; K80-G82 WeakPolarHBondContact CG-O 3.5Å; K80-E83 IonicContact NZ-OE1 3.61Å; K80-E83 PolarHBondContact NZ-OE1 3.37Å; K80-E83 VanDerWaalsContact NZ-OE1 3.13Å; K80-E83 IonicContact NZ-OE2 2.65Å; K80-E83 PolarHBondContact NZ-OE2 3.2Å
81	C	97.3	Very high	98.3	Very high	26 Å²	26	37.1 Å²	37.1	18%	0.176	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	86.4	179	-169.1	0	0	0	0	110.4	L32 A85 I87	L32-C81 HydrophobicContact CD1-CB 4.05Å; C81-A85 CarbonylContact C-O 3.49Å; C81-A85 WeakPolarHBondContact CA-O 3.33Å; C81-A85 PolarHBondContact N-O 3.08Å; C81-A85 CarbonylContact O-C 3.47Å; C81-A85 VanDerWaalsContact O-O 3.06Å; C81-I87 HydrophobicContact CB-CD1 4.49Å; C81-I87 HydrophobicContact CB-CG1 4.07Å
82	G	96.4	Very high	98.3	Very high	54 Å²	54	41 Å²	41	56%	0.557	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	-169.3	-171.6	0	0	0	0	0	112.4	N58 K80	N58-G82 PolarHBondContact ND2-O 3.43Å; K80-G82 WeakPolarHBondContact CE-O 3.35Å; K80-G82 WeakPolarHBondContact CG-O 3.5Å
83	E	97.9	Very high	98.3	Very high	116 Å²	116	43 Å²	43	54%	0.542	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-32.2	-173.1	-72.5	-49.5	124.9	0	0	113.8	A55 N58 K80	A55-E83 WeakPolarHBondContact CA-O 3.34Å; A55-E83 HydrophobicContact CB-CB 4.28Å; N58-E83 WeakPolarHBondContact CB-O 3.31Å; N58-E83 VanDerWaalsContact ND2-C 3.33Å; N58-E83 PolarHBondContact ND2-O 2.81Å; K80-E83 IonicContact NZ-OE1 3.61Å; K80-E83 PolarHBondContact NZ-OE1 3.37Å; K80-E83 VanDerWaalsContact NZ-OE1 3.13Å; K80-E83 IonicContact NZ-OE2 2.65Å; K80-E83 PolarHBondContact NZ-OE2 3.2Å
84	T	98.3	Very high	98.3	Very high	46 Å²	46	42.6 Å²	42.6	28%	0.282	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	1.6	-169.3	56	0	0	0	0	114.6	Q34 S35 A54 A55	Q34-T84 PolarHBondContact NE2-OG1 3.01Å; Q34-T84 PolarHBondContact OE1-OG1 3.13Å; S35-T84 WeakPolarHBondContact CB-O 3.31Å; S35-T84 PolarHBondContact N-O 3.35Å; S35-T84 PolarHBondContact OG-O 3.43Å; A54-T84 HydrophobicContact CB-CG2 3.78Å; A55-T84 HydrophobicContact CB-CG2 4.2Å
85	A	98.4	Very high	98.3	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.025	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	163.3	-178.5	0	0	0	0	0	114.1	L32 L33 N58 C81	L32-A85 HydrophobicContact CD1-CB 3.72Å; L32-A85 HydrophobicContact CG-CB 4.17Å; L33-A85 WeakPolarHBondContact O-CA 3.15Å; L33-A85 VanDerWaalsContact O-CB 3.27Å; L33-A85 WeakPolarHBondContact O-CB 3.49Å; N58-A85 PolarHBondContact ND2-N 3.39Å; N58-A85 VanDerWaalsContact ND2-N 3.19Å; N58-A85 PolarHBondContact ND2-O 2.78Å; N58-A85 PolarHBondContact OD1-O 2.9Å; N58-A85 VanDerWaalsContact OD1-O 3.12Å; C81-A85 CarbonylContact C-O 3.49Å; C81-A85 WeakPolarHBondContact CA-O 3.33Å; C81-A85 PolarHBondContact N-O 3.08Å; C81-A85 CarbonylContact O-C 3.47Å; C81-A85 VanDerWaalsContact O-O 3.06Å
86	F	98.7	Very high	98.3	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	159.8	170.9	71.8	-86.1	0	0	0	111.1	L33 N58 T61 F65 F77 R79 A88 V208	L33-F86 HydrophobicContact CB-CD1 4.02Å; L33-F86 HydrophobicContact CB-CE1 3.66Å; L33-F86 HydrophobicContact CB-CE2 4.37Å; L33-F86 HydrophobicContact CB-CZ 3.87Å; L33-F86 HydrophobicContact CD1-CD2 4.29Å; L33-F86 HydrophobicContact CD1-CE2 3.8Å; L33-F86 HydrophobicContact CD1-CZ 3.98Å; L33-F86 HydrophobicContact CD2-CE1 4.2Å; L33-F86 HydrophobicContact CD2-CE2 4.32Å; L33-F86 HydrophobicContact CD2-CZ 3.7Å; L33-F86 HydrophobicContact CG-CE1 4.35Å; L33-F86 HydrophobicContact CG-CE2 4.38Å; L33-F86 HydrophobicContact CG-CZ 4.05Å; L33-F86 PolarHBondContact N-O 2.98Å; L33-F86 PolarHBondContact O-N 2.9Å; L33-F86 VanDerWaalsContact O-N 3.16Å; N58-F86 WeakPolarHBondContact OD1-CD1 3.22Å; N58-F86 PolarHBondContact OD1-N 3.02Å; T61-F86 HydrophobicContact CG2-CE1 4.1Å; T61-F86 HydrophobicContact CG2-CZ 4.19Å; F65-F86 HydrophobicContact CD2-CE2 4.32Å; F65-F86 HydrophobicContact CE2-CE2 4.18Å; F65-F86 HydrophobicContact CE2-CZ 4.09Å; F77-F86 HydrophobicContact CD2-CB 4.45Å; F77-F86 AromaticContact CD2-CD2 3.62Å; F77-F86 HydrophobicContact CD2-CD2 3.62Å; F77-F86 HydrophobicContact CD2-CE2 4.14Å; F77-F86 HydrophobicContact CD2-CG 4.28Å; F77-F86 HydrophobicContact CE2-CB 3.96Å; F77-F86 AromaticContact CE2-CD2 3.99Å; F77-F86 HydrophobicContact CE2-CD2 3.99Å; F77-F86 HydrophobicContact CE2-CG 4.2Å; R79-F86 WeakPolarHBondContact O-CA 3.27Å; R79-F86 WeakPolarHBondContact O-CB 3.38Å; F86-A88 HydrophobicContact CD2-CB 4.38Å; F86-A88 HydrophobicContact CE2-CB 4Å; F86-V208 HydrophobicContact CE1-CG1 4.03Å; F86-V208 HydrophobicContact CZ-CG1 4.22Å
87	I	98.6	Very high	98.3	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.2	176.8	-59.2	178.6	0	0	0	109	L7 L24 K30 V31 L32 T78 R79 C81	L7-I87 HydrophobicContact CD2-CD1 4.35Å; L24-I87 HydrophobicContact CD1-CD1 4.1Å; L24-I87 HydrophobicContact CD1-CG1 4.15Å; L24-I87 HydrophobicContact CD1-CG2 3.98Å; K30-I87 HydrophobicContact CB-CG2 4.15Å; K30-I87 HydrophobicContact CD-CG2 4.09Å; V31-I87 WeakPolarHBondContact O-CA 3.22Å; L32-I87 HydrophobicContact CD1-CG1 4.23Å; T78-I87 WeakPolarHBondContact CA-O 3.29Å; T78-I87 WeakPolarHBondContact CB-O 3.42Å; T78-I87 HydrophobicContact CG2-CG2 4.44Å; T78-I87 PolarHBondContact N-O 2.9Å; R79-I87 HydrophobicContact CG-CD1 4.46Å; R79-I87 PolarHBondContact N-O 2.93Å; R79-I87 PolarHBondContact O-N 3.23Å; C81-I87 HydrophobicContact CB-CD1 4.49Å; C81-I87 HydrophobicContact CB-CG1 4.07Å
88	A	98.6	Very high	98.3	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.5	175.7	0	0	0	0	0	111.4	K30 V31 L33 A76 F86	K30-A88 CarbonylContact C-O 3.41Å; K30-A88 VanDerWaalsContact CA-O 3.29Å; K30-A88 WeakPolarHBondContact CA-O 3.37Å; V31-A88 HydrophobicContact CG2-CB 4.4Å; V31-A88 PolarHBondContact N-O 2.88Å; V31-A88 PolarHBondContact O-N 2.87Å; L33-A88 HydrophobicContact CD1-CB 3.47Å; L33-A88 VanDerWaalsContact CD1-CB 3.47Å; A76-A88 HydrophobicContact CB-CB 4.46Å; A76-A88 WeakPolarHBondContact O-CB 3.26Å; F86-A88 HydrophobicContact CD2-CB 4.38Å; F86-A88 HydrophobicContact CE2-CB 4Å
89	P	98.5	Very high	98.3	Very high	28 Å²	28	37.6 Å²	37.6	18%	0.182	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	142.5	157.3	-18.6	31.8	0	0	0	110.6	D197	P89-D197 WeakPolarHBondContact CB-OD2 3.39Å
90	Q	98.5	Very high	98.4	Very high	71 Å²	71	33.3 Å²	33.3	33%	0.332	19%	0.186	S	C	.	.			trans	-71.6	130.1	174.3	-173.7	177.4	2.9	0	0	109.7	G29 V31 V198	G29-Q90 PolarHBondContact O-N 3.05Å; V31-Q90 HydrophobicContact CG1-CB 3.98Å; V31-Q90 HydrophobicContact CG1-CG 3.96Å; Q90-V198 HydrophobicContact CB-CG2 3.92Å; Q90-V198 HydrophobicContact CG-CG1 4.31Å; Q90-V198 HydrophobicContact CG-CG2 4.24Å; Q90-V198 WeakPolarHBondContact O-CG2 3.42Å; Q90-V198 PolarHBondContact O-N 3.41Å
91	C	98.4	Very high	98.4	Very high	26 Å²	26	30 Å²	30	18%	0.176	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148	176.7	-59.4	0	0	0	0	111.2	M93 V196	C91-M93 HydrophobicContact CB-SD 4.37Å; C91-V196 CarbonylContact C-O 3.5Å; C91-V196 WeakPolarHBondContact CA-O 3.39Å
92	E	98.6	Very high	98.5	Very high	89 Å²	89	30.3 Å²	30.3	42%	0.416	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.6	156.6	-74.8	-173	-159.8	0	0	108.5	F152 A153 G195 V196 V198	E92-F152 HydrophobicContact CB-CB 3.94Å; E92-F152 HydrophobicContact CB-CD1 4.19Å; E92-F152 HydrophobicContact CB-CG 4.49Å; E92-F152 VanDerWaalsContact OE2-CA 3.29Å; E92-F152 WeakPolarHBondContact OE2-CA 3.41Å; E92-A153 VanDerWaalsContact CD-N 3.27Å; E92-A153 HydrophobicContact CG-CB 4.42Å; E92-A153 PolarHBondContact OE2-N 2.93Å; E92-G195 CarbonylContact O-C 3.54Å; E92-G195 VanDerWaalsContact O-CA 3.26Å; E92-G195 WeakPolarHBondContact O-CA 3.37Å; E92-V196 PolarHBondContact N-O 3.33Å; E92-V196 PolarHBondContact O-N 3.12Å; E92-V198 HydrophobicContact CG-CG1 4.24Å
93	M	98.6	Very high	98.6	Very high	71 Å²	71	28 Å²	28	35%	0.35	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.7	-173.7	-66.1	-59.1	-59.4	0	0	111.5	C91 E193 A206 D207	C91-M93 HydrophobicContact CB-SD 4.37Å; M93-E193 HydrophobicContact CE-CB 3.77Å; M93-A206 HydrophobicContact CE-CB 3.88Å; M93-A206 HydrophobicContact SD-CB 3.66Å; M93-D207 HydrophobicContact CE-CB 3.96Å
94	I	98.8	Very high	98.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.118	C	C	.	.			trans	-81.3	124	172.4	-57.9	170.9	0	0	0	107.2	I96 F152 I157 M165 F194 V196	I94-I96 HydrophobicContact CG2-CB 4.43Å; I94-I96 HydrophobicContact CG2-CG1 4.07Å; I94-I96 PolarHBondContact O-N 2.95Å; I94-F152 HydrophobicContact CB-CD2 4.45Å; I94-F152 HydrophobicContact CB-CE2 4.27Å; I94-F152 HydrophobicContact CG1-CD2 3.75Å; I94-F152 HydrophobicContact CG1-CE2 4.07Å; I94-F152 HydrophobicContact CG1-CG 4.42Å; I94-F152 HydrophobicContact CG2-CE2 4.15Å; I94-I157 HydrophobicContact CD1-CD1 3.73Å; I94-I157 HydrophobicContact CD1-CG1 4.39Å; I94-I157 HydrophobicContact CG1-CD1 4.36Å; I94-M165 HydrophobicContact CD1-CE 4.06Å; I94-M165 HydrophobicContact CD1-SD 3.53Å; I94-M165 VanDerWaalsContact CD1-SD 3.53Å; I94-F194 HydrophobicContact CD1-CB 4.39Å; I94-F194 PolarHBondContact N-O 3.31Å; I94-V196 HydrophobicContact CD1-CG2 4.23Å; I94-V196 HydrophobicContact CG1-CG2 4.45Å
95	P	98.2	Very high	98.7	Very high	34 Å²	34	20.5 Å²	20.5	22%	0.221	11%	0.106	C	C	.	.	S	Bend	trans	-79.9	51.1	-169.9	34.3	-38.5	0	0	0	112.6	F130 K131 L150 F152	P95-F130 HydrophobicContact CB-CE2 4.24Å; P95-F130 HydrophobicContact CG-CE2 3.98Å; P95-F130 WeakPolarHBondContact O-CD2 3.49Å; P95-K131 HydrophobicContact CB-CB 4.26Å; P95-K131 PolarHBondContact O-N 2.72Å; P95-L150 HydrophobicContact CG-CD1 4.2Å; P95-F152 HydrophobicContact CG-CZ 4.13Å
96	I	98.8	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127	179.7	-59	-67.5	0	0	0	109.4	I94 W98 L128 F129 F130 W140 L145	I94-I96 HydrophobicContact CG2-CB 4.43Å; I94-I96 HydrophobicContact CG2-CG1 4.07Å; I94-I96 PolarHBondContact O-N 2.95Å; I96-W98 HydrophobicContact CG2-CD2 4.23Å; I96-W98 HydrophobicContact CG2-CG 4.24Å; I96-W98 HydrophobicContact CG2-CZ2 4.29Å; I96-L128 HydrophobicContact CG2-CB 4Å; I96-L128 HydrophobicContact CG2-CD2 4.27Å; I96-L128 HydrophobicContact CG2-CG 4.26Å; I96-F129 CarbonylContact C-O 3.53Å; I96-F129 WeakPolarHBondContact CA-O 2.77Å; I96-F130 HydrophobicContact CD1-CB 4.35Å; I96-F130 HydrophobicContact CD1-CD2 4.13Å; I96-W140 HydrophobicContact CD1-CE3 4Å; I96-W140 HydrophobicContact CD1-CZ3 4.37Å; I96-L145 HydrophobicContact CD1-CD1 3.9Å; I96-L145 HydrophobicContact CD1-CD2 4.46Å; I96-L145 HydrophobicContact CG1-CD1 3.81Å; I96-L145 HydrophobicContact CG1-CD2 4.07Å
97	E	98.8	Very high	98.6	Very high	34 Å²	34	23.7 Å²	23.7	16%	0.159	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.9	165.8	-51.6	-155	146.3	0	0	109.5	F129 K131 K191	E97-F129 HydrophobicContact CB-CB 4.17Å; E97-F129 PolarHBondContact N-O 3.16Å; E97-F129 PolarHBondContact O-N 2.8Å; E97-K131 HydrophobicContact CG-CD 4.28Å; E97-K131 HydrophobicContact CG-CG 3.71Å; E97-K131 IonicContact OE1-NZ 2.93Å; E97-K131 PolarHBondContact OE1-NZ 3.03Å; E97-K191 HydrophobicContact CB-CD 3.77Å; E97-K191 HydrophobicContact CB-CG 3.77Å; E97-K191 HydrophobicContact CG-CD 3.89Å; E97-K191 HydrophobicContact CG-CG 4.44Å; E97-K191 IonicContact OE1-NZ 2.76Å; E97-K191 VanDerWaalsContact OE2-CD 3.31Å; E97-K191 WeakPolarHBondContact OE2-CD 3.44Å
98	W	98.9	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112	177.4	-69.1	84.9	0	0	0	109.4	I96 V126 L128 L145 V162 M165 T169 K191 I192 F194	I96-W98 HydrophobicContact CG2-CD2 4.23Å; I96-W98 HydrophobicContact CG2-CG 4.24Å; I96-W98 HydrophobicContact CG2-CZ2 4.29Å; W98-V126 HydrophobicContact CE3-CG1 3.96Å; W98-V126 HydrophobicContact CZ3-CG1 4.26Å; W98-L128 HydrophobicContact CE3-CD1 4.45Å; W98-L128 HydrophobicContact CE3-CG 4.03Å; W98-L128 HydrophobicContact CH2-CD1 4.43Å; W98-L128 HydrophobicContact CH2-CD2 3.6Å; W98-L128 HydrophobicContact CH2-CG 3.95Å; W98-L128 HydrophobicContact CZ2-CD2 3.96Å; W98-L128 HydrophobicContact CZ2-CG 4.39Å; W98-L128 HydrophobicContact CZ3-CD1 3.95Å; W98-L128 HydrophobicContact CZ3-CD2 3.93Å; W98-L128 HydrophobicContact CZ3-CG 3.74Å; W98-L145 HydrophobicContact CH2-CD2 4.37Å; W98-L145 HydrophobicContact CZ2-CD2 3.94Å; W98-V162 HydrophobicContact CH2-CG1 4.2Å; W98-M165 HydrophobicContact CD2-CB 4.16Å; W98-M165 HydrophobicContact CE3-CB 4.43Å; W98-M165 HydrophobicContact CH2-CB 3.63Å; W98-M165 HydrophobicContact CZ2-CB 3.31Å; W98-M165 HydrophobicContact CZ2-CE 3.79Å; W98-M165 HydrophobicContact CZ2-CG 4.13Å; W98-M165 HydrophobicContact CZ2-SD 3.77Å; W98-M165 HydrophobicContact CZ3-CB 4.2Å; W98-T169 HydrophobicContact CB-CG2 3.97Å; W98-T169 WeakPolarHBondContact CB-OG1 3.46Å; W98-K191 CarbonylContact O-C 3.58Å; W98-K191 WeakPolarHBondContact O-CA 3.4Å; W98-I192 HydrophobicContact CB-CG1 3.94Å; W98-I192 PolarHBondContact N-O 3.01Å; W98-I192 PolarHBondContact O-N 2.96Å; W98-F194 HydrophobicContact CB-CE2 4.28Å; W98-F194 AromaticContact CD1-CD2 3.51Å; W98-F194 AromaticContact CD1-CE2 3.88Å; W98-F194 HydrophobicContact CD2-CE2 4.33Å; W98-F194 HydrophobicContact CG-CD2 4.01Å; W98-F194 AromaticContact CG-CE2 3.89Å; W98-F194 HydrophobicContact CG-CE2 3.89Å; W98-F194 AromaticContact NE1-CD2 3.7Å
99	V	98.9	Very high	98.6	Very high	13 Å²	13	25.8 Å²	25.8	8%	0.079	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133.9	-177.9	178	0	0	0	0	110.3	R101 V126 E127 F129 M190 K191	V99-R101 HydrophobicContact CG1-CG 4.12Å; V99-V126 CarbonylContact O-C 3.56Å; V99-V126 VanDerWaalsContact O-CA 3.28Å; V99-V126 WeakPolarHBondContact O-CA 3.37Å; V99-E127 HydrophobicContact CB-CB 4.49Å; V99-E127 PolarHBondContact N-O 2.8Å; V99-E127 PolarHBondContact O-N 2.89Å; V99-F129 HydrophobicContact CB-CD2 4.36Å; V99-F129 HydrophobicContact CB-CE2 3.91Å; V99-F129 HydrophobicContact CG2-CD2 3.65Å; V99-F129 HydrophobicContact CG2-CE2 3.6Å; V99-M190 CarbonylContact C-O 3.56Å; V99-M190 VanDerWaalsContact CA-O 3.25Å; V99-M190 WeakPolarHBondContact CA-O 3.45Å; V99-M190 WeakPolarHBondContact CG1-O 3.37Å; V99-K191 HydrophobicContact CG2-CB 4.18Å; V99-K191 HydrophobicContact CG2-CG 4.04Å
100	C	98.9	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139	172.8	-156.1	0	0	0	0	110.9	P124 K125 T169 F173 D189 M190	C100-P124 VanDerWaalsContact SG-CB 3.52Å; C100-K125 CarbonylContact C-O 3.57Å; C100-K125 VanDerWaalsContact CA-O 3.26Å; C100-K125 WeakPolarHBondContact CA-O 3.28Å; C100-T169 HydrophobicContact CB-CG2 3.91Å; C100-F173 HydrophobicContact CB-CB 3.63Å; C100-F173 HydrophobicContact CB-CD2 3.82Å; C100-F173 HydrophobicContact CB-CG 3.73Å; C100-F173 VanDerWaalsContact SG-CB 3.53Å; C100-F173 VanDerWaalsContact SG-CG 3.6Å; C100-D189 CarbonylContact O-C 3.42Å; C100-D189 WeakPolarHBondContact O-CA 3.44Å; C100-D189 WeakPolarHBondContact O-CB 3.39Å; C100-M190 HydrophobicContact CB-CE 4.46Å; C100-M190 HydrophobicContact CB-CG 4.44Å; C100-M190 PolarHBondContact N-O 2.96Å; C100-M190 PolarHBondContact O-N 3.22Å
101	R	98.9	Very high	98.6	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.2	-176.9	-46.5	-173.6	-174.9	-79	-5.6	112.4	V99 S107 F121 P124 K125 E127 D189	V99-R101 HydrophobicContact CG1-CG 4.12Å; R101-S107 PolarHBondContact NH2-OG 3.1Å; R101-F121 HydrophobicContact CB-CD2 3.94Å; R101-F121 HydrophobicContact CB-CE2 4Å; R101-F121 WeakPolarHBondContact O-CD2 3.28Å; R101-P124 CarbonylContact O-C 3.54Å; R101-P124 WeakPolarHBondContact O-CA 3.28Å; R101-K125 HydrophobicContact CB-CB 4.44Å; R101-K125 PolarHBondContact N-O 3.2Å; R101-K125 PolarHBondContact O-N 2.91Å; R101-E127 IonicContact CZ-OE2 2.91Å; R101-E127 IonicContact NE-OE2 3.21Å; R101-E127 PolarHBondContact NE-OE2 3.22Å; R101-E127 IonicContact NH2-OE2 2.79Å; R101-E127 PolarHBondContact NH2-OE2 3.39Å; R101-D189 HydrophobicContact CB-CB 4.11Å; R101-D189 HydrophobicContact CG-CB 3.86Å; R101-D189 IonicContact NH1-OD2 3.52Å; R101-D189 PolarHBondContact NH1-OD2 3.08Å; R101-D189 VanDerWaalsContact NH1-OD2 3.08Å
102	R	98.9	Very high	98.6	Very high	31 Å²	31	35.4 Å²	35.4	12%	0.117	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-37.7	160.5	179.1	61.7	67.2	-162.7	4.2	111.7	K120 F121 F173 E177 V188	R102-K120 HydrophobicContact CG-CD 4.33Å; R102-K120 WeakPolarHBondContact O-CA 3.29Å; R102-F121 PolarHBondContact NH1-O 2.88Å; R102-F121 PolarHBondContact O-N 3.43Å; R102-F173 HydrophobicContact CB-CE1 3.81Å; R102-F173 HydrophobicContact CB-CZ 3.65Å; R102-E177 WeakPolarHBondContact CB-OE1 3.3Å; R102-E177 VanDerWaalsContact CG-OE1 3.23Å; R102-E177 WeakPolarHBondContact CG-OE1 3.44Å; R102-E177 IonicContact CZ-OE1 3.17Å; R102-E177 IonicContact CZ-OE2 2.73Å; R102-E177 IonicContact NE-OE1 2.75Å; R102-E177 PolarHBondContact NE-OE1 3.04Å; R102-E177 IonicContact NE-OE2 2.79Å; R102-E177 PolarHBondContact NE-OE2 3.37Å; R102-E177 IonicContact NH2-OE1 3.86Å; R102-E177 IonicContact NH2-OE2 2.72Å; R102-E177 PolarHBondContact NH2-OE2 2.75Å; R102-V188 PolarHBondContact N-O 2.98Å
103	I	98.9	Very high	98.6	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.7	-173.2	-58.1	172.9	0	0	0	109.9	T105 Y119 K120 T186 V188 W217	I103-T105 PolarHBondContact O-N 2.84Å; I103-Y119 CarbonylContact C-O 3.58Å; I103-Y119 WeakPolarHBondContact CA-O 3.36Å; I103-K120 HydrophobicContact CG1-CD 3.87Å; I103-T186 HydrophobicContact CD1-CG2 3.73Å; I103-V188 HydrophobicContact CB-CG1 3.85Å; I103-V188 HydrophobicContact CD1-CG1 4.39Å; I103-V188 HydrophobicContact CD1-CG2 4.37Å; I103-V188 HydrophobicContact CG2-CG1 4.43Å; I103-V188 PolarHBondContact N-O 2.91Å; I103-W217 HydrophobicContact CD1-CE3 4.48Å; I103-W217 HydrophobicContact CD1-CZ3 4.21Å; I103-W217 HydrophobicContact CG2-CZ3 4.34Å
104	A	98.8	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.216	C	C	.	.			trans	-70.3	116.8	171.9	0	0	0	0	0	110.6	F108 L109 V115 E117 G118 Y119 F121	A104-F108 HydrophobicContact CB-CD1 3.78Å; A104-F108 HydrophobicContact CB-CE1 4.17Å; A104-L109 HydrophobicContact CB-CD2 3.84Å; A104-V115 HydrophobicContact CB-CG1 4.04Å; A104-E117 WeakPolarHBondContact O-CA 3.25Å; A104-G118 PolarHBondContact O-N 2.74Å; A104-Y119 HydrophobicContact CB-CD1 4.44Å; A104-Y119 PolarHBondContact N-O 2.82Å; A104-F121 HydrophobicContact CB-CE2 3.87Å; A104-F121 HydrophobicContact CB-CZ 3.9Å
105	T	98.6	Very high	98.5	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.025	23%	0.23	C	C	.	.			trans	-154.1	-177.9	169.5	-171.7	0	0	0	0	109.2	I103 S107 F108 E117 V188 W217	I103-T105 PolarHBondContact O-N 2.84Å; T105-S107 PolarHBondContact O-N 3.06Å; T105-F108 WeakPolarHBondContact O-CB 3.49Å; T105-F108 PolarHBondContact O-N 3.08Å; T105-E117 WeakPolarHBondContact CB-OE2 3.21Å; T105-E117 PolarHBondContact OG1-OE2 2.78Å; T105-V188 HydrophobicContact CG2-CG1 3.78Å; T105-W217 HydrophobicContact CG2-CH2 4.35Å; T105-W217 HydrophobicContact CG2-CZ2 4.25Å
106	G	97.3	Very high	98.5	Very high	25 Å²	25	46.2 Å²	46.2	26%	0.258	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-134	170.5	0	0	0	0	0	114.1	F108 L109	G106-F108 PolarHBondContact O-N 3.18Å; G106-L109 PolarHBondContact O-N 3.1Å
107	S	97.8	Very high	98.5	Very high	46 Å²	46	50 Å²	50	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-66.2	-23.9	-175.8	57	0	0	0	0	113.7	R101 T105 L109 K110 R111	R101-S107 PolarHBondContact NH2-OG 3.1Å; T105-S107 PolarHBondContact O-N 3.06Å; S107-L109 VanDerWaalsContact C-N 3.35Å; S107-L109 PolarHBondContact O-N 3.42Å; S107-K110 PolarHBondContact O-N 3.33Å; S107-R111 PolarHBondContact O-N 3.47Å; S107-R111 VanDerWaalsContact O-N 3.11Å; S107-R111 PolarHBondContact OG-NH1 2.93Å
108	F	98.8	Very high	98.5	Very high	16 Å²	16	50.1 Å²	50.1	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-45.4	175.7	-173.8	-85	0	0	0	111.4	A104 T105 G106 K110 R111 N112 V115 F121	A104-F108 HydrophobicContact CB-CD1 3.78Å; A104-F108 HydrophobicContact CB-CE1 4.17Å; T105-F108 WeakPolarHBondContact O-CB 3.49Å; T105-F108 PolarHBondContact O-N 3.08Å; G106-F108 PolarHBondContact O-N 3.18Å; F108-K110 VanDerWaalsContact C-N 3.32Å; F108-K110 PolarHBondContact O-N 2.73Å; F108-R111 PolarHBondContact O-N 3.37Å; F108-N112 HydrophobicContact CD1-CB 4.41Å; F108-N112 HydrophobicContact CE1-CB 3.98Å; F108-N112 HydrophobicContact CZ-CB 4.38Å; F108-N112 WeakPolarHBondContact O-CB 3.45Å; F108-N112 PolarHBondContact O-N 2.99Å; F108-N112 PolarHBondContact O-ND2 3.38Å; F108-V115 HydrophobicContact CE1-CB 4.36Å; F108-V115 HydrophobicContact CE1-CG1 4.06Å; F108-V115 HydrophobicContact CE1-CG2 4.25Å; F108-F121 AromaticContact CD1-CZ 3.96Å; F108-F121 HydrophobicContact CD1-CZ 3.96Å; F108-F121 HydrophobicContact CD2-CZ 4.05Å; F108-F121 HydrophobicContact CE1-CE1 4.16Å; F108-F121 AromaticContact CE1-CZ 3.57Å; F108-F121 HydrophobicContact CE1-CZ 3.57Å; F108-F121 AromaticContact CE2-CE1 4Å; F108-F121 HydrophobicContact CE2-CE1 4Å; F108-F121 AromaticContact CE2-CZ 3.64Å; F108-F121 HydrophobicContact CE2-CZ 3.64Å; F108-F121 HydrophobicContact CG-CZ 4.2Å; F108-F121 AromaticContact CZ-CE1 3.65Å; F108-F121 HydrophobicContact CZ-CE1 3.65Å; F108-F121 AromaticContact CZ-CZ 3.4Å; F108-F121 HydrophobicContact CZ-CZ 3.4Å
109	L	98.6	Very high	98.5	Very high	41 Å²	41	56.6 Å²	56.6	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-35.4	179.9	-58.6	-178.7	0	0	0	112.1	A104 G106 S107 N112 V115 E117	A104-L109 HydrophobicContact CB-CD2 3.84Å; G106-L109 PolarHBondContact O-N 3.1Å; S107-L109 VanDerWaalsContact C-N 3.35Å; S107-L109 PolarHBondContact O-N 3.42Å; L109-N112 CarbonylContact O-C 3.2Å; L109-N112 PolarHBondContact O-N 2.79Å; L109-V115 HydrophobicContact CD2-CB 4.29Å; L109-V115 HydrophobicContact CD2-CG1 4.07Å; L109-E117 HydrophobicContact CD1-CB 3.82Å; L109-E117 HydrophobicContact CD1-CG 4.43Å
110	K	98.1	Very high	98.4	Very high	184 Å²	184	59.9 Å²	59.9	80%	0.8	32%	0.322	S	S	*	.	H	α-helix	trans	-64.8	-40.5	176.4	-64.2	-176.7	179.8	-178.2	0	112.1	S107 F108	S107-K110 PolarHBondContact O-N 3.33Å; F108-K110 VanDerWaalsContact C-N 3.32Å; F108-K110 PolarHBondContact O-N 2.73Å
111	R	98.6	Very high	98.4	Very high	83 Å²	83	60.8 Å²	60.8	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-78.3	-21.6	178.7	-68.8	-172.4	-61.6	-103	-0.7	113.4	S107 F108 P113 E127 F129 Q139	S107-R111 PolarHBondContact O-N 3.47Å; S107-R111 VanDerWaalsContact O-N 3.11Å; S107-R111 PolarHBondContact OG-NH1 2.93Å; F108-R111 PolarHBondContact O-N 3.37Å; R111-P113 VanDerWaalsContact C-CD 3.48Å; R111-P113 WeakPolarHBondContact O-CD 3.08Å; R111-E127 IonicContact CZ-OE1 2.66Å; R111-E127 IonicContact NE-OE1 2.72Å; R111-E127 VanDerWaalsContact NH2-CD 3.3Å; R111-E127 IonicContact NH2-OE1 3.7Å; R111-E127 PolarHBondContact NH2-OE1 3.46Å; R111-E127 IonicContact NH2-OE2 3.42Å; R111-E127 PolarHBondContact NH2-OE2 3.01Å; R111-F129 VanDerWaalsContact NH2-CZ 3.31Å; R111-Q139 VanDerWaalsContact NE-OE1 3.08Å
112	N	98.5	Very high	98.4	Very high	59 Å²	59	68.8 Å²	68.8	32%	0.316	36%	0.358	S	S	.	.	S	Bend	trans	-123.6	69.8	-175.7	-60.3	-88.5	0	0	0	110.7	F108 L109 G114 V115	F108-N112 HydrophobicContact CD1-CB 4.41Å; F108-N112 HydrophobicContact CE1-CB 3.98Å; F108-N112 HydrophobicContact CZ-CB 4.38Å; F108-N112 WeakPolarHBondContact O-CB 3.45Å; F108-N112 PolarHBondContact O-N 2.99Å; F108-N112 PolarHBondContact O-ND2 3.38Å; L109-N112 CarbonylContact O-C 3.2Å; L109-N112 PolarHBondContact O-N 2.79Å; N112-G114 PolarHBondContact O-N 2.99Å; N112-V115 HydrophobicContact CB-CB 4.42Å; N112-V115 HydrophobicContact CB-CG2 3.86Å; N112-V115 PolarHBondContact O-N 3.43Å; N112-V115 VanDerWaalsContact O-N 3.14Å
113	P	98.2	Very high	98.4	Very high	119 Å²	119	71.6 Å²	71.6	77%	0.773	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	132.5	179.2	26.1	-34.1	0	0	0	110.4	R111	R111-P113 VanDerWaalsContact C-CD 3.48Å; R111-P113 WeakPolarHBondContact O-CD 3.08Å
114	G	98.1	Very high	98.4	Very high	78 Å²	78	71.5 Å²	71.5	80%	0.804	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	104	-22.1	-174.8	0	0	0	0	0	114.1	N112	N112-G114 PolarHBondContact O-N 2.99Å
115	V	98.6	Very high	98.4	Very high	51 Å²	51	76.2 Å²	76.2	31%	0.309	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-75	134.1	169.5	-176.5	0	0	0	0	109.4	A104 F108 L109 N112 Y119	A104-V115 HydrophobicContact CB-CG1 4.04Å; F108-V115 HydrophobicContact CE1-CB 4.36Å; F108-V115 HydrophobicContact CE1-CG1 4.06Å; F108-V115 HydrophobicContact CE1-CG2 4.25Å; L109-V115 HydrophobicContact CD2-CB 4.29Å; L109-V115 HydrophobicContact CD2-CG1 4.07Å; N112-V115 HydrophobicContact CB-CB 4.42Å; N112-V115 HydrophobicContact CB-CG2 3.86Å; N112-V115 PolarHBondContact O-N 3.43Å; N112-V115 VanDerWaalsContact O-N 3.14Å; V115-Y119 HydrophobicContact CG1-CG 4.17Å
116	K	98.4	Very high	98.4	Very high	175 Å²	175	77.3 Å²	77.3	76%	0.761	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-91.1	147.9	177.8	-64.5	-176.3	179.4	180	0	111.2	Y119	K116-Y119 PolarHBondContact O-N 3.4Å
117	E	98.3	Very high	98.5	Very high	78 Å²	78	76.5 Å²	76.5	36%	0.364	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	139.9	169.4	-175.5	158.4	100.8	0	0	110.3	A104 T105 L109 R222	A104-E117 WeakPolarHBondContact O-CA 3.25Å; T105-E117 WeakPolarHBondContact CB-OE2 3.21Å; T105-E117 PolarHBondContact OG1-OE2 2.78Å; L109-E117 HydrophobicContact CD1-CB 3.82Å; L109-E117 HydrophobicContact CD1-CG 4.43Å; E117-R222 WeakPolarHBondContact OE1-CD 3.46Å; E117-R222 IonicContact OE1-CZ 3.77Å; E117-R222 IonicContact OE1-NE 3.01Å; E117-R222 IonicContact OE1-NH1 2.68Å; E117-R222 PolarHBondContact OE1-NH1 3.35Å; E117-R222 IonicContact OE2-CZ 2.73Å; E117-R222 IonicContact OE2-NH1 2.76Å; E117-R222 PolarHBondContact OE2-NH1 2.91Å
118	G	97.7	Very high	98.6	Very high	37 Å²	37	74.7 Å²	74.7	38%	0.381	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	-10.9	-177.3	0	0	0	0	0	114.4	A104 K120	A104-G118 PolarHBondContact O-N 2.74Å; G118-K120 PolarHBondContact O-N 3.36Å
119	Y	98.8	Very high	98.6	Very high	136 Å²	136	74.6 Å²	74.6	53%	0.533	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-53.8	132.5	172	177.9	-85.8	0	0	0	110.4	I103 A104 V115 K116 F121	I103-Y119 CarbonylContact C-O 3.58Å; I103-Y119 WeakPolarHBondContact CA-O 3.36Å; A104-Y119 HydrophobicContact CB-CD1 4.44Å; A104-Y119 PolarHBondContact N-O 2.82Å; V115-Y119 HydrophobicContact CG1-CG 4.17Å; K116-Y119 PolarHBondContact O-N 3.4Å; Y119-F121 HydrophobicContact CD1-CD1 4.05Å; Y119-F121 AromaticContact CD1-CE1 3.75Å; Y119-F121 HydrophobicContact CD1-CE1 3.75Å; Y119-F121 HydrophobicContact CD1-CE2 4.42Å; Y119-F121 HydrophobicContact CD1-CG 4.5Å; Y119-F121 AromaticContact CD1-CZ 3.94Å; Y119-F121 HydrophobicContact CD1-CZ 3.94Å; Y119-F121 AromaticContact CE1-CD1 3.63Å; Y119-F121 HydrophobicContact CE1-CD1 3.63Å; Y119-F121 AromaticContact CE1-CE1 3.58Å; Y119-F121 HydrophobicContact CE1-CE1 3.58Å; Y119-F121 HydrophobicContact CE1-CG 4.34Å; Y119-F121 HydrophobicContact CE1-CZ 4.26Å
120	K	98.8	Very high	98.5	Very high	82 Å²	82	75.1 Å²	75.1	36%	0.357	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.7	-174.3	-64	-79.3	175.1	169.5	0	111	R102 I103 G118 Y122	R102-K120 HydrophobicContact CG-CD 4.33Å; R102-K120 WeakPolarHBondContact O-CA 3.29Å; I103-K120 HydrophobicContact CG1-CD 3.87Å; G118-K120 PolarHBondContact O-N 3.36Å; K120-Y122 HydrophobicContact CB-CD2 4.2Å; K120-Y122 HydrophobicContact CB-CE2 3.37Å; K120-Y122 HydrophobicContact CG-CE2 4.3Å
121	F	98.9	Very high	98.5	Very high	19 Å²	19	69.9 Å²	69.9	8%	0.083	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126	174.8	-59.1	-75.4	0	0	0	110.8	R101 R102 A104 F108 Y119 P123 K125	R101-F121 HydrophobicContact CB-CD2 3.94Å; R101-F121 HydrophobicContact CB-CE2 4Å; R101-F121 WeakPolarHBondContact O-CD2 3.28Å; R102-F121 PolarHBondContact NH1-O 2.88Å; R102-F121 PolarHBondContact O-N 3.43Å; A104-F121 HydrophobicContact CB-CE2 3.87Å; A104-F121 HydrophobicContact CB-CZ 3.9Å; F108-F121 AromaticContact CD1-CZ 3.96Å; F108-F121 HydrophobicContact CD1-CZ 3.96Å; F108-F121 HydrophobicContact CD2-CZ 4.05Å; F108-F121 HydrophobicContact CE1-CE1 4.16Å; F108-F121 AromaticContact CE1-CZ 3.57Å; F108-F121 HydrophobicContact CE1-CZ 3.57Å; F108-F121 AromaticContact CE2-CE1 4Å; F108-F121 HydrophobicContact CE2-CE1 4Å; F108-F121 AromaticContact CE2-CZ 3.64Å; F108-F121 HydrophobicContact CE2-CZ 3.64Å; F108-F121 HydrophobicContact CG-CZ 4.2Å; F108-F121 AromaticContact CZ-CE1 3.65Å; F108-F121 HydrophobicContact CZ-CE1 3.65Å; F108-F121 AromaticContact CZ-CZ 3.4Å; F108-F121 HydrophobicContact CZ-CZ 3.4Å; Y119-F121 HydrophobicContact CD1-CD1 4.05Å; Y119-F121 AromaticContact CD1-CE1 3.75Å; Y119-F121 HydrophobicContact CD1-CE1 3.75Å; Y119-F121 HydrophobicContact CD1-CE2 4.42Å; Y119-F121 HydrophobicContact CD1-CG 4.5Å; Y119-F121 AromaticContact CD1-CZ 3.94Å; Y119-F121 HydrophobicContact CD1-CZ 3.94Å; Y119-F121 AromaticContact CE1-CD1 3.63Å; Y119-F121 HydrophobicContact CE1-CD1 3.63Å; Y119-F121 AromaticContact CE1-CE1 3.58Å; Y119-F121 HydrophobicContact CE1-CE1 3.58Å; Y119-F121 HydrophobicContact CE1-CG 4.34Å; Y119-F121 HydrophobicContact CE1-CZ 4.26Å; F121-P123 CarbonylContact C-O 3.58Å; F121-P123 WeakPolarHBondContact CB-O 3.49Å; F121-P123 CarbonylContact O-C 3.58Å; F121-K125 HydrophobicContact CB-CB 4.15Å; F121-K125 HydrophobicContact CD1-CB 3.81Å; F121-K125 HydrophobicContact CD1-CG 4.48Å; F121-K125 HydrophobicContact CD2-CB 4.06Å; F121-K125 HydrophobicContact CE1-CB 4.22Å; F121-K125 HydrophobicContact CE2-CB 4.44Å; F121-K125 HydrophobicContact CG-CB 3.74Å
122	Y	98.3	Very high	98.3	Very high	174 Å²	174	68.2 Å²	68.2	68%	0.682	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	106.7	172.9	-56.6	-69.6	0	0	0	109	K120	K120-Y122 HydrophobicContact CB-CD2 4.2Å; K120-Y122 HydrophobicContact CB-CE2 3.37Å; K120-Y122 HydrophobicContact CG-CE2 4.3Å
123	P	98.6	Very high	97.9	Very high	90 Å²	90	69.5 Å²	69.5	58%	0.584	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-72.1	173.8	-1.8	35.7	-39.1	0	0	0	113	F121 K125	F121-P123 CarbonylContact C-O 3.58Å; F121-P123 WeakPolarHBondContact CB-O 3.49Å; F121-P123 CarbonylContact O-C 3.58Å; P123-K125 PolarHBondContact O-N 3.43Å
124	P	98.9	Very high	97.6	Very high	5 Å²	5	67.8 Å²	67.8	3%	0.032	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	136.8	175.1	-25.8	34.1	0	0	0	112.4	C100 R101 Q170 F173 E174	C100-P124 VanDerWaalsContact SG-CB 3.52Å; R101-P124 CarbonylContact O-C 3.54Å; R101-P124 WeakPolarHBondContact O-CA 3.28Å; P124-Q170 HydrophobicContact CB-CG 4.44Å; P124-Q170 HydrophobicContact CG-CG 4.39Å; P124-Q170 PolarHBondContact O-NE2 2.74Å; P124-F173 HydrophobicContact CB-CD1 3.94Å; P124-F173 HydrophobicContact CB-CE1 4.2Å; P124-F173 HydrophobicContact CG-CD1 3.94Å; P124-F173 HydrophobicContact CG-CE1 4.17Å; P124-E174 WeakPolarHBondContact CD-OE1 3.33Å; P124-E174 HydrophobicContact CG-CG 3.96Å
125	K	98.9	Very high	97.4	Very high	99 Å²	99	69 Å²	69	43%	0.43	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.5	-178.5	-178.9	65	177.3	177.6	0	110.2	C100 R101 F121 P123 E127	C100-K125 CarbonylContact C-O 3.57Å; C100-K125 VanDerWaalsContact CA-O 3.26Å; C100-K125 WeakPolarHBondContact CA-O 3.28Å; R101-K125 HydrophobicContact CB-CB 4.44Å; R101-K125 PolarHBondContact N-O 3.2Å; R101-K125 PolarHBondContact O-N 2.91Å; F121-K125 HydrophobicContact CB-CB 4.15Å; F121-K125 HydrophobicContact CD1-CB 3.81Å; F121-K125 HydrophobicContact CD1-CG 4.48Å; F121-K125 HydrophobicContact CD2-CB 4.06Å; F121-K125 HydrophobicContact CE1-CB 4.22Å; F121-K125 HydrophobicContact CE2-CB 4.44Å; F121-K125 HydrophobicContact CG-CB 3.74Å; P123-K125 PolarHBondContact O-N 3.43Å; K125-E127 HydrophobicContact CG-CG 4.26Å
126	V	98.9	Very high	97.2	Very high	27 Å²	27	72.4 Å²	72.4	16%	0.164	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140	170.8	-179.7	0	0	0	0	110	W98 V99 T169 Q170	W98-V126 HydrophobicContact CE3-CG1 3.96Å; W98-V126 HydrophobicContact CZ3-CG1 4.26Å; V99-V126 CarbonylContact O-C 3.56Å; V99-V126 VanDerWaalsContact O-CA 3.28Å; V99-V126 WeakPolarHBondContact O-CA 3.37Å; V126-T169 HydrophobicContact CG1-CG2 4.17Å; V126-T169 HydrophobicContact CG2-CG2 4.29Å; V126-Q170 HydrophobicContact CG2-CB 4.09Å
127	E	98.9	Very high	97.1	Very high	7 Å²	7	65.4 Å²	65.4	3%	0.033	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.9	176.5	-62.4	178.3	127	0	0	110.2	V99 R101 R111 K125 F129	V99-E127 HydrophobicContact CB-CB 4.49Å; V99-E127 PolarHBondContact N-O 2.8Å; V99-E127 PolarHBondContact O-N 2.89Å; R101-E127 IonicContact CZ-OE2 2.91Å; R101-E127 IonicContact NE-OE2 3.21Å; R101-E127 PolarHBondContact NE-OE2 3.22Å; R101-E127 IonicContact NH2-OE2 2.79Å; R101-E127 PolarHBondContact NH2-OE2 3.39Å; R111-E127 IonicContact CZ-OE1 2.66Å; R111-E127 IonicContact NE-OE1 2.72Å; R111-E127 VanDerWaalsContact NH2-CD 3.3Å; R111-E127 IonicContact NH2-OE1 3.7Å; R111-E127 PolarHBondContact NH2-OE1 3.46Å; R111-E127 IonicContact NH2-OE2 3.42Å; R111-E127 PolarHBondContact NH2-OE2 3.01Å; K125-E127 HydrophobicContact CG-CG 4.26Å; E127-F129 HydrophobicContact CB-CE2 3.65Å; E127-F129 HydrophobicContact CB-CZ 3.9Å
128	L	98.9	Very high	97	Very high	9 Å²	9	64 Å²	64	5%	0.047	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.3	180	-61.2	77.8	0	0	0	110.3	I96 W98 Q139 W140 E142 L145	I96-L128 HydrophobicContact CG2-CB 4Å; I96-L128 HydrophobicContact CG2-CD2 4.27Å; I96-L128 HydrophobicContact CG2-CG 4.26Å; W98-L128 HydrophobicContact CE3-CD1 4.45Å; W98-L128 HydrophobicContact CE3-CG 4.03Å; W98-L128 HydrophobicContact CH2-CD1 4.43Å; W98-L128 HydrophobicContact CH2-CD2 3.6Å; W98-L128 HydrophobicContact CH2-CG 3.95Å; W98-L128 HydrophobicContact CZ2-CD2 3.96Å; W98-L128 HydrophobicContact CZ2-CG 4.39Å; W98-L128 HydrophobicContact CZ3-CD1 3.95Å; W98-L128 HydrophobicContact CZ3-CD2 3.93Å; W98-L128 HydrophobicContact CZ3-CG 3.74Å; L128-Q139 WeakPolarHBondContact O-CA 3.41Å; L128-Q139 WeakPolarHBondContact O-CG 3.48Å; L128-W140 HydrophobicContact CB-CB 4.46Å; L128-W140 PolarHBondContact O-N 3.1Å; L128-E142 HydrophobicContact CD1-CG 4.16Å; L128-L145 HydrophobicContact CD2-CB 4.34Å; L128-L145 HydrophobicContact CD2-CD2 3.62Å
129	F	98.8	Very high	97.1	Very high	13 Å²	13	66.3 Å²	66.3	6%	0.057	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.9	171.5	-55	-89.8	0	0	0	109.7	I96 E97 V99 R111 E127 D137 P138 Q139	I96-F129 CarbonylContact C-O 3.53Å; I96-F129 WeakPolarHBondContact CA-O 2.77Å; E97-F129 HydrophobicContact CB-CB 4.17Å; E97-F129 PolarHBondContact N-O 3.16Å; E97-F129 PolarHBondContact O-N 2.8Å; V99-F129 HydrophobicContact CB-CD2 4.36Å; V99-F129 HydrophobicContact CB-CE2 3.91Å; V99-F129 HydrophobicContact CG2-CD2 3.65Å; V99-F129 HydrophobicContact CG2-CE2 3.6Å; R111-F129 VanDerWaalsContact NH2-CZ 3.31Å; E127-F129 HydrophobicContact CB-CE2 3.65Å; E127-F129 HydrophobicContact CB-CZ 3.9Å; F129-D137 HydrophobicContact CB-CB 4.32Å; F129-D137 WeakPolarHBondContact CD1-O 3.33Å; F129-P138 WeakPolarHBondContact CA-O 3.48Å; F129-Q139 HydrophobicContact CD1-CB 3.94Å; F129-Q139 HydrophobicContact CD1-CG 4.36Å; F129-Q139 HydrophobicContact CE1-CB 3.63Å; F129-Q139 HydrophobicContact CE1-CG 3.83Å; F129-Q139 HydrophobicContact CZ-CB 4.5Å; F129-Q139 HydrophobicContact CZ-CG 4.22Å
130	F	98.5	Very high	97.1	Very high	52 Å²	52	62 Å²	62	23%	0.228	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.5	176.6	176.9	-111.6	0	0	0	110	P95 I96 D132 D137 P138 W140	P95-F130 HydrophobicContact CB-CE2 4.24Å; P95-F130 HydrophobicContact CG-CE2 3.98Å; P95-F130 WeakPolarHBondContact O-CD2 3.49Å; I96-F130 HydrophobicContact CD1-CB 4.35Å; I96-F130 HydrophobicContact CD1-CD2 4.13Å; F130-D132 HydrophobicContact CD1-CB 3.8Å; F130-D132 HydrophobicContact CE1-CB 3.9Å; F130-D132 PolarHBondContact O-N 2.7Å; F130-D137 CarbonylContact O-C 3.58Å; F130-D137 WeakPolarHBondContact O-CA 3.44Å; F130-P138 HydrophobicContact CB-CG 4.47Å; F130-P138 PolarHBondContact N-O 3.21Å; F130-W140 HydrophobicContact CB-CD2 3.69Å; F130-W140 VanDerWaalsContact CB-CE2 3.41Å; F130-W140 HydrophobicContact CB-CE3 4.34Å; F130-W140 HydrophobicContact CB-CG 3.9Å; F130-W140 HydrophobicContact CB-CH2 4.48Å; F130-W140 HydrophobicContact CB-CZ2 3.86Å; F130-W140 AromaticContact CD1-CZ2 3.9Å; F130-W140 HydrophobicContact CD1-CZ2 3.9Å; F130-W140 HydrophobicContact CD2-CE3 4.47Å; F130-W140 AromaticContact CD2-CH2 3.68Å; F130-W140 HydrophobicContact CD2-CH2 3.68Å; F130-W140 AromaticContact CD2-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CZ3 4.08Å; F130-W140 HydrophobicContact CE1-CZ2 4.39Å; F130-W140 HydrophobicContact CE2-CH2 4.01Å; F130-W140 HydrophobicContact CE2-CZ2 4.23Å; F130-W140 HydrophobicContact CG-CD2 4.26Å; F130-W140 AromaticContact CG-CE2 3.67Å; F130-W140 HydrophobicContact CG-CH2 4.01Å; F130-W140 AromaticContact CG-CZ2 3.54Å; F130-W140 HydrophobicContact CG-CZ2 3.54Å
131	K	96.6	Very high	97.1	Very high	75 Å²	75	60.1 Å²	60.1	33%	0.326	32%	0.315	S	S	.	.			trans	-72.2	102.4	-179	-66.9	-171.9	76.7	73.8	0	110.1	P95 E97 D137 E193	P95-K131 HydrophobicContact CB-CB 4.26Å; P95-K131 PolarHBondContact O-N 2.72Å; E97-K131 HydrophobicContact CG-CD 4.28Å; E97-K131 HydrophobicContact CG-CG 3.71Å; E97-K131 IonicContact OE1-NZ 2.93Å; E97-K131 PolarHBondContact OE1-NZ 3.03Å; K131-D137 WeakPolarHBondContact CA-OD1 3.24Å; K131-E193 IonicContact NZ-OE1 2.57Å; K131-E193 PolarHBondContact NZ-OE1 3.12Å; K131-E193 IonicContact NZ-OE2 2.74Å
132	D	94.9	Very high	97.1	Very high	47 Å²	47	62.1 Å²	62.1	25%	0.251	32%	0.324	S	S	.	.			trans	-151.9	94.4	179.1	-175.5	-0.5	0	0	0	109.6	F130 A134 N135 N136 D137	F130-D132 HydrophobicContact CD1-CB 3.8Å; F130-D132 HydrophobicContact CE1-CB 3.9Å; F130-D132 PolarHBondContact O-N 2.7Å; D132-A134 PolarHBondContact O-N 3.05Å; D132-A134 WeakPolarHBondContact OD1-CB 3.47Å; D132-A134 PolarHBondContact OD1-N 3.29Å; D132-A134 VanDerWaalsContact OD1-N 3.08Å; D132-N135 HydrophobicContact CB-CB 4.39Å; D132-N135 CarbonylContact O-C 3.35Å; D132-N135 PolarHBondContact O-N 2.79Å; D132-N135 VanDerWaalsContact O-N 3.1Å; D132-N135 WeakPolarHBondContact OD2-CB 3.49Å; D132-N135 PolarHBondContact OD2-OD1 2.91Å; D132-N135 VanDerWaalsContact OD2-OD1 3.08Å; D132-N136 PolarHBondContact O-N 2.75Å; D132-N136 VanDerWaalsContact O-N 3.1Å; D132-D137 PolarHBondContact N-OD1 3.19Å; D132-D137 PolarHBondContact O-N 3.17Å
133	D	89.4	Confident	97.1	Very high	86 Å²	86	60.2 Å²	60.2	46%	0.46	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-56.8	-31.3	179.1	-87	-32.2	0	0	0	111.9	K17 N43 N135	K17-D133 WeakPolarHBondContact CE-OD2 3.47Å; K17-D133 IonicContact NZ-OD1 2.75Å; K17-D133 PolarHBondContact NZ-OD1 2.9Å; K17-D133 IonicContact NZ-OD2 3.52Å; K17-D133 PolarHBondContact NZ-OD2 2.98Å; N43-D133 HydrophobicContact CB-CB 4.47Å; N43-D133 PolarHBondContact ND2-O 3.07Å; N43-D133 PolarHBondContact OD1-OD1 3.35Å; D133-N135 VanDerWaalsContact C-N 3.32Å
134	A	92.9	Very high	97.1	Very high	83 Å²	83	60.3 Å²	60.3	69%	0.686	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-70.7	-31.1	-178.5	0	0	0	0	0	112	D132	D132-A134 PolarHBondContact O-N 3.05Å; D132-A134 WeakPolarHBondContact OD1-CB 3.47Å; D132-A134 PolarHBondContact OD1-N 3.29Å; D132-A134 VanDerWaalsContact OD1-N 3.08Å
135	N	94.4	Very high	97.1	Very high	103 Å²	103	60.1 Å²	60.1	55%	0.551	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-108.9	13.5	-176.5	-69.6	72.3	0	0	0	113.4	D132 D133 D137 P138	D132-N135 HydrophobicContact CB-CB 4.39Å; D132-N135 CarbonylContact O-C 3.35Å; D132-N135 PolarHBondContact O-N 2.79Å; D132-N135 VanDerWaalsContact O-N 3.1Å; D132-N135 WeakPolarHBondContact OD2-CB 3.49Å; D132-N135 PolarHBondContact OD2-OD1 2.91Å; D132-N135 VanDerWaalsContact OD2-OD1 3.08Å; D133-N135 VanDerWaalsContact C-N 3.32Å; N135-D137 VanDerWaalsContact C-N 3.34Å; N135-D137 PolarHBondContact O-N 3.3Å; N135-P138 HydrophobicContact CB-CG 4.42Å
136	N	93.2	Very high	97.1	Very high	124 Å²	124	57.5 Å²	57.5	66%	0.663	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	42.8	-179.6	-56.7	-71.8	0	0	0	113.6	N43 D132	N43-N136 PolarHBondContact ND2-OD1 2.71Å; D132-N136 PolarHBondContact O-N 2.75Å; D132-N136 VanDerWaalsContact O-N 3.1Å
137	D	95.7	Very high	97.1	Very high	28 Å²	28	59.7 Å²	59.7	15%	0.15	32%	0.324	C	S	.	.			trans	50.9	72.2	177.3	-55.9	-40.7	0	0	0	113	F129 F130 K131 D132 N135	F129-D137 HydrophobicContact CB-CB 4.32Å; F129-D137 WeakPolarHBondContact CD1-O 3.33Å; F130-D137 CarbonylContact O-C 3.58Å; F130-D137 WeakPolarHBondContact O-CA 3.44Å; K131-D137 WeakPolarHBondContact CA-OD1 3.24Å; D132-D137 PolarHBondContact N-OD1 3.19Å; D132-D137 PolarHBondContact O-N 3.17Å; N135-D137 VanDerWaalsContact C-N 3.34Å; N135-D137 PolarHBondContact O-N 3.3Å
138	P	98.1	Very high	97.1	Very high	47 Å²	47	61.2 Å²	61.2	31%	0.305	34%	0.338	S	S	.	.			trans	-62.2	142.6	-174.4	27	-34.6	0	0	0	111.4	F129 F130 N135 W140	F129-P138 WeakPolarHBondContact CA-O 3.48Å; F130-P138 HydrophobicContact CB-CG 4.47Å; F130-P138 PolarHBondContact N-O 3.21Å; N135-P138 HydrophobicContact CB-CG 4.42Å; P138-W140 PolarHBondContact O-N 2.95Å
139	Q	98.8	Very high	97	Very high	86 Å²	86	68.7 Å²	68.7	40%	0.402	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	132.8	173.3	-170.5	170.7	1.4	0	0	109.8	R111 L128 F129	R111-Q139 VanDerWaalsContact NE-OE1 3.08Å; L128-Q139 WeakPolarHBondContact O-CA 3.41Å; L128-Q139 WeakPolarHBondContact O-CG 3.48Å; F129-Q139 HydrophobicContact CD1-CB 3.94Å; F129-Q139 HydrophobicContact CD1-CG 4.36Å; F129-Q139 HydrophobicContact CE1-CB 3.63Å; F129-Q139 HydrophobicContact CE1-CG 3.83Å; F129-Q139 HydrophobicContact CZ-CB 4.5Å; F129-Q139 HydrophobicContact CZ-CG 4.22Å
140	W	98.8	Very high	97	Very high	47 Å²	47	69.9 Å²	69.9	18%	0.178	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149.7	171.7	-84.7	23	0	0	0	111.1	I96 L128 F130 P138 Q144 L145 A148	I96-W140 HydrophobicContact CD1-CE3 4Å; I96-W140 HydrophobicContact CD1-CZ3 4.37Å; L128-W140 HydrophobicContact CB-CB 4.46Å; L128-W140 PolarHBondContact O-N 3.1Å; F130-W140 HydrophobicContact CB-CD2 3.69Å; F130-W140 VanDerWaalsContact CB-CE2 3.41Å; F130-W140 HydrophobicContact CB-CE3 4.34Å; F130-W140 HydrophobicContact CB-CG 3.9Å; F130-W140 HydrophobicContact CB-CH2 4.48Å; F130-W140 HydrophobicContact CB-CZ2 3.86Å; F130-W140 AromaticContact CD1-CZ2 3.9Å; F130-W140 HydrophobicContact CD1-CZ2 3.9Å; F130-W140 HydrophobicContact CD2-CE3 4.47Å; F130-W140 AromaticContact CD2-CH2 3.68Å; F130-W140 HydrophobicContact CD2-CH2 3.68Å; F130-W140 AromaticContact CD2-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CZ2 3.72Å; F130-W140 HydrophobicContact CD2-CZ3 4.08Å; F130-W140 HydrophobicContact CE1-CZ2 4.39Å; F130-W140 HydrophobicContact CE2-CH2 4.01Å; F130-W140 HydrophobicContact CE2-CZ2 4.23Å; F130-W140 HydrophobicContact CG-CD2 4.26Å; F130-W140 AromaticContact CG-CE2 3.67Å; F130-W140 HydrophobicContact CG-CH2 4.01Å; F130-W140 AromaticContact CG-CZ2 3.54Å; F130-W140 HydrophobicContact CG-CZ2 3.54Å; P138-W140 PolarHBondContact O-N 2.95Å; W140-Q144 VanDerWaalsContact CA-OE1 3.27Å; W140-Q144 HydrophobicContact CB-CB 4.27Å; W140-Q144 HydrophobicContact CD2-CB 4.01Å; W140-Q144 HydrophobicContact CE3-CB 4.1Å; W140-Q144 HydrophobicContact CG-CB 4.12Å; W140-L145 HydrophobicContact CE3-CB 4.14Å; W140-L145 HydrophobicContact CE3-CD1 4.45Å; W140-L145 HydrophobicContact CZ3-CD1 4.28Å; W140-A148 HydrophobicContact CH2-CB 4.09Å; W140-A148 HydrophobicContact CZ3-CB 3.91Å
141	S	98.9	Very high	97	Very high	42 Å²	42	70.7 Å²	70.7	29%	0.294	39%	0.388	S	S	.	.			trans	-83.2	165.2	162.4	85.9	0	0	0	0	110.8	E143 Q144 L145	S141-E143 VanDerWaalsContact C-N 3.26Å; S141-E143 WeakPolarHBondContact CB-OE2 3.48Å; S141-E143 PolarHBondContact O-N 3.04Å; S141-E143 PolarHBondContact OG-N 3.27Å; S141-E143 PolarHBondContact OG-OE2 2.87Å; S141-Q144 PolarHBondContact O-N 2.82Å; S141-Q144 PolarHBondContact OG-N 3.46Å; S141-L145 PolarHBondContact O-N 2.88Å
142	E	98.8	Very high	97.1	Very high	61 Å²	61	68.8 Å²	68.8	29%	0.285	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-37.6	173.5	-68.1	-175.5	169.7	0	0	110.9	L128 Q144 L145 I146 V162 S166	L128-E142 HydrophobicContact CD1-CG 4.16Å; E142-Q144 VanDerWaalsContact C-N 3.34Å; E142-Q144 PolarHBondContact O-N 3.08Å; E142-L145 PolarHBondContact O-N 3.25Å; E142-I146 WeakPolarHBondContact O-CD1 3.47Å; E142-I146 VanDerWaalsContact O-CG1 3.27Å; E142-I146 WeakPolarHBondContact O-CG1 3.36Å; E142-I146 PolarHBondContact O-N 3.33Å; E142-V162 HydrophobicContact CB-CG1 3.95Å; E142-V162 HydrophobicContact CG-CG1 3.83Å; E142-S166 PolarHBondContact OE1-OG 3.49Å
143	E	98.9	Very high	97.2	Very high	133 Å²	133	67.2 Å²	67.2	62%	0.621	37%	0.373	S	S	*	.	H	α-helix	trans	-62.1	-38.7	176.6	-57.7	81	179.9	0	0	112.3	S141 I146 A147	S141-E143 VanDerWaalsContact C-N 3.26Å; S141-E143 WeakPolarHBondContact CB-OE2 3.48Å; S141-E143 PolarHBondContact O-N 3.04Å; S141-E143 PolarHBondContact OG-N 3.27Å; S141-E143 PolarHBondContact OG-OE2 2.87Å; E143-I146 PolarHBondContact O-N 2.91Å; E143-A147 WeakPolarHBondContact O-CB 3.3Å; E143-A147 PolarHBondContact O-N 2.94Å
144	Q	98.9	Very high	97.6	Very high	93 Å²	93	66.3 Å²	66.3	44%	0.435	38%	0.384	S	S	.	.	H	α-helix	trans	-63.4	-43.4	175.2	-70.7	176.5	-72.7	0	0	111.3	W140 S141 E142 A147 A148	W140-Q144 VanDerWaalsContact CA-OE1 3.27Å; W140-Q144 HydrophobicContact CB-CB 4.27Å; W140-Q144 HydrophobicContact CD2-CB 4.01Å; W140-Q144 HydrophobicContact CE3-CB 4.1Å; W140-Q144 HydrophobicContact CG-CB 4.12Å; S141-Q144 PolarHBondContact O-N 2.82Å; S141-Q144 PolarHBondContact OG-N 3.46Å; E142-Q144 VanDerWaalsContact C-N 3.34Å; E142-Q144 PolarHBondContact O-N 3.08Å; Q144-A147 PolarHBondContact O-N 3.08Å; Q144-A148 PolarHBondContact O-N 3.16Å
145	L	98.8	Very high	97.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-43	177.8	179.4	54.5	0	0	0	112	I96 W98 L128 W140 S141 E142 A148 L150 I157 V162	I96-L145 HydrophobicContact CD1-CD1 3.9Å; I96-L145 HydrophobicContact CD1-CD2 4.46Å; I96-L145 HydrophobicContact CG1-CD1 3.81Å; I96-L145 HydrophobicContact CG1-CD2 4.07Å; W98-L145 HydrophobicContact CH2-CD2 4.37Å; W98-L145 HydrophobicContact CZ2-CD2 3.94Å; L128-L145 HydrophobicContact CD2-CB 4.34Å; L128-L145 HydrophobicContact CD2-CD2 3.62Å; W140-L145 HydrophobicContact CE3-CB 4.14Å; W140-L145 HydrophobicContact CE3-CD1 4.45Å; W140-L145 HydrophobicContact CZ3-CD1 4.28Å; S141-L145 PolarHBondContact O-N 2.88Å; E142-L145 PolarHBondContact O-N 3.25Å; L145-A148 WeakPolarHBondContact O-CB 3.43Å; L145-A148 PolarHBondContact O-N 3.09Å; L145-L150 HydrophobicContact CD1-CD1 3.9Å; L145-I157 HydrophobicContact CD1-CG2 4.48Å; L145-I157 HydrophobicContact CG-CG2 4.42Å; L145-V162 HydrophobicContact CB-CG2 4.43Å; L145-V162 HydrophobicContact CD2-CG1 4.35Å; L145-V162 HydrophobicContact CD2-CG2 3.63Å; L145-V162 HydrophobicContact CG-CG2 3.78Å
146	I	98.7	Very high	98.1	Very high	44 Å²	44	62.8 Å²	62.8	23%	0.226	36%	0.357	C	S	.	.	H	α-helix	trans	-66.2	-43.7	177.7	-64.7	162.8	0	0	0	110.6	E142 E143 A148 K149 Q159 V162	E142-I146 WeakPolarHBondContact O-CD1 3.47Å; E142-I146 VanDerWaalsContact O-CG1 3.27Å; E142-I146 WeakPolarHBondContact O-CG1 3.36Å; E142-I146 PolarHBondContact O-N 3.33Å; E143-I146 PolarHBondContact O-N 2.91Å; I146-A148 PolarHBondContact O-N 3.5Å; I146-K149 PolarHBondContact O-N 3.2Å; I146-K149 VanDerWaalsContact O-N 3.13Å; I146-Q159 HydrophobicContact CD1-CB 4.27Å; I146-V162 HydrophobicContact CG1-CB 4.35Å; I146-V162 HydrophobicContact CG1-CG2 3.87Å
147	A	98.6	Very high	98.3	Very high	74 Å²	74	56.9 Å²	56.9	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-65.5	-25.7	179.4	0	0	0	0	0	112.9	E143 Q144 K149	E143-A147 WeakPolarHBondContact O-CB 3.3Å; E143-A147 PolarHBondContact O-N 2.94Å; Q144-A147 PolarHBondContact O-N 3.08Å; A147-K149 PolarHBondContact O-N 2.86Å
148	A	98.4	Very high	98.5	Very high	38 Å²	38	56.5 Å²	56.5	31%	0.314	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.9	175.4	0	0	0	0	0	113.3	W140 Q144 L145 I146 L150	W140-A148 HydrophobicContact CH2-CB 4.09Å; W140-A148 HydrophobicContact CZ3-CB 3.91Å; Q144-A148 PolarHBondContact O-N 3.16Å; L145-A148 WeakPolarHBondContact O-CB 3.43Å; L145-A148 PolarHBondContact O-N 3.09Å; I146-A148 PolarHBondContact O-N 3.5Å; A148-L150 HydrophobicContact CB-CD2 4.22Å; A148-L150 HydrophobicContact CB-CG 3.95Å; A148-L150 PolarHBondContact O-N 2.83Å; A148-L150 VanDerWaalsContact O-N 3.11Å
149	K	97.8	Very high	98.5	Very high	166 Å²	166	58.7 Å²	58.7	72%	0.722	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	40.2	176.7	-62.8	179.9	-178.8	-177.4	0	113.2	I146 A147	I146-K149 PolarHBondContact O-N 3.2Å; I146-K149 VanDerWaalsContact O-N 3.13Å; A147-K149 PolarHBondContact O-N 2.86Å
150	L	98.2	Very high	98.5	Very high	38 Å²	38	55 Å²	55	20%	0.199	32%	0.317	C	S	.	.			trans	-62.5	144.8	-179.4	-58.5	176.1	0	0	0	110.1	P95 L145 A148 F152 V156 I157	P95-L150 HydrophobicContact CG-CD1 4.2Å; L145-L150 HydrophobicContact CD1-CD1 3.9Å; A148-L150 HydrophobicContact CB-CD2 4.22Å; A148-L150 HydrophobicContact CB-CG 3.95Å; A148-L150 PolarHBondContact O-N 2.83Å; A148-L150 VanDerWaalsContact O-N 3.11Å; L150-F152 HydrophobicContact CB-CD2 4.25Å; L150-F152 HydrophobicContact CB-CE2 3.51Å; L150-F152 HydrophobicContact CB-CZ 4.06Å; L150-F152 HydrophobicContact CD1-CE2 3.91Å; L150-F152 HydrophobicContact CD1-CZ 4.17Å; L150-F152 HydrophobicContact CG-CE2 4.26Å; L150-V156 WeakPolarHBondContact O-CA 3.47Å; L150-I157 HydrophobicContact CB-CB 4.45Å; L150-I157 HydrophobicContact CB-CG1 4.32Å; L150-I157 PolarHBondContact O-N 3.11Å
151	C	98.5	Very high	98.5	Very high	69 Å²	69	53.1 Å²	53.1	47%	0.466	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.5	177.5	-174.6	0	0	0	0	109.1	L155 V156	C151-L155 WeakPolarHBondContact CA-O 3.34Å; C151-V156 HydrophobicContact CB-CG2 4.41Å
152	F	98.6	Very high	98.5	Very high	35 Å²	35	51.1 Å²	51.1	15%	0.154	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.3	-178.1	-63.4	-71.5	0	0	0	109.9	E92 I94 P95 L150 G154 L155 I157 V196	E92-F152 HydrophobicContact CB-CB 3.94Å; E92-F152 HydrophobicContact CB-CD1 4.19Å; E92-F152 HydrophobicContact CB-CG 4.49Å; E92-F152 VanDerWaalsContact OE2-CA 3.29Å; E92-F152 WeakPolarHBondContact OE2-CA 3.41Å; I94-F152 HydrophobicContact CB-CD2 4.45Å; I94-F152 HydrophobicContact CB-CE2 4.27Å; I94-F152 HydrophobicContact CG1-CD2 3.75Å; I94-F152 HydrophobicContact CG1-CE2 4.07Å; I94-F152 HydrophobicContact CG1-CG 4.42Å; I94-F152 HydrophobicContact CG2-CE2 4.15Å; P95-F152 HydrophobicContact CG-CZ 4.13Å; L150-F152 HydrophobicContact CB-CD2 4.25Å; L150-F152 HydrophobicContact CB-CE2 3.51Å; L150-F152 HydrophobicContact CB-CZ 4.06Å; L150-F152 HydrophobicContact CD1-CE2 3.91Å; L150-F152 HydrophobicContact CD1-CZ 4.17Å; L150-F152 HydrophobicContact CG-CE2 4.26Å; F152-G154 PolarHBondContact O-N 2.91Å; F152-L155 PolarHBondContact N-O 3.2Å; F152-L155 WeakPolarHBondContact O-CB 3.44Å; F152-L155 PolarHBondContact O-N 3.01Å; F152-I157 HydrophobicContact CD2-CD1 4.38Å; F152-I157 HydrophobicContact CD2-CG1 3.9Å; F152-I157 HydrophobicContact CE2-CG1 4.3Å; F152-V196 HydrophobicContact CB-CB 4.23Å; F152-V196 HydrophobicContact CB-CG2 3.79Å
153	A	97.8	Very high	98.5	Very high	14 Å²	14	49.4 Å²	49.4	12%	0.116	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	25.8	-175.3	0	0	0	0	0	114	E92 V196 V198 K201	E92-A153 VanDerWaalsContact CD-N 3.27Å; E92-A153 HydrophobicContact CG-CB 4.42Å; E92-A153 PolarHBondContact OE2-N 2.93Å; A153-V196 HydrophobicContact CB-CB 4.21Å; A153-V196 HydrophobicContact CB-CG1 3.88Å; A153-V198 HydrophobicContact CB-CG1 4.37Å; A153-K201 HydrophobicContact CB-CD 4.35Å; A153-K201 WeakPolarHBondContact O-CD 3.41Å; A153-K201 WeakPolarHBondContact O-CE 3.34Å; A153-K201 PolarHBondContact O-NZ 2.98Å
154	G	97.8	Very high	98.5	Very high	67 Å²	67	43.5 Å²	43.5	69%	0.691	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	-3.8	-176.5	0	0	0	0	0	115.3	F152	F152-G154 PolarHBondContact O-N 2.91Å
155	L	98.4	Very high	98.5	Very high	32 Å²	32	39 Å²	39	17%	0.168	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.8	175.1	-179.4	65.6	0	0	0	110.5	C151 F152 I157 E161 V196 I203	C151-L155 WeakPolarHBondContact CA-O 3.34Å; F152-L155 PolarHBondContact N-O 3.2Å; F152-L155 WeakPolarHBondContact O-CB 3.44Å; F152-L155 PolarHBondContact O-N 3.01Å; L155-I157 HydrophobicContact CD2-CD1 4.45Å; L155-I157 HydrophobicContact CG-CD1 4.49Å; L155-E161 HydrophobicContact CD1-CG 4.28Å; L155-E161 HydrophobicContact CD2-CG 4.07Å; L155-E161 HydrophobicContact CG-CG 4.22Å; L155-V196 HydrophobicContact CB-CG1 4.12Å; L155-V196 HydrophobicContact CB-CG2 4.41Å; L155-V196 HydrophobicContact CD2-CG1 4.2Å; L155-V196 HydrophobicContact CD2-CG2 4.02Å; L155-I203 HydrophobicContact CD2-CD1 3.95Å; L155-I203 HydrophobicContact CD2-CG1 3.68Å
156	V	98.4	Very high	98.5	Very high	81 Å²	81	40 Å²	40	49%	0.491	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.1	171.1	-178.9	0	0	0	0	109.5	L150 C151 G158	L150-V156 WeakPolarHBondContact O-CA 3.47Å; C151-V156 HydrophobicContact CB-CG2 4.41Å; V156-G158 PolarHBondContact O-N 2.8Å; V156-G158 VanDerWaalsContact O-N 3.15Å
157	I	98.7	Very high	98.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.252	C	S	.	.			trans	-82.5	88.7	177.5	-52.8	-54.7	0	0	0	108.9	I94 L145 L150 F152 L155 E161 V162 M165 V196 I203	I94-I157 HydrophobicContact CD1-CD1 3.73Å; I94-I157 HydrophobicContact CD1-CG1 4.39Å; I94-I157 HydrophobicContact CG1-CD1 4.36Å; L145-I157 HydrophobicContact CD1-CG2 4.48Å; L145-I157 HydrophobicContact CG-CG2 4.42Å; L150-I157 HydrophobicContact CB-CB 4.45Å; L150-I157 HydrophobicContact CB-CG1 4.32Å; L150-I157 PolarHBondContact O-N 3.11Å; F152-I157 HydrophobicContact CD2-CD1 4.38Å; F152-I157 HydrophobicContact CD2-CG1 3.9Å; F152-I157 HydrophobicContact CE2-CG1 4.3Å; L155-I157 HydrophobicContact CD2-CD1 4.45Å; L155-I157 HydrophobicContact CG-CD1 4.49Å; I157-E161 HydrophobicContact CD1-CB 4.23Å; I157-E161 HydrophobicContact CD1-CG 4.33Å; I157-E161 HydrophobicContact CG2-CB 4.13Å; I157-V162 HydrophobicContact CG2-CG2 3.91Å; I157-M165 HydrophobicContact CG2-CE 3.78Å; I157-V196 HydrophobicContact CD1-CG2 4.48Å; I157-I203 HydrophobicContact CD1-CD1 4.38Å
158	G	98.4	Very high	98.5	Very high	19 Å²	19	38.2 Å²	38.2	20%	0.196	23%	0.226	C	C	.	.			trans	-101.6	-167.6	175	0	0	0	0	0	112.6	V156 T160 E161 V162	V156-G158 PolarHBondContact O-N 2.8Å; V156-G158 VanDerWaalsContact O-N 3.15Å; G158-T160 PolarHBondContact O-N 3.21Å; G158-E161 PolarHBondContact N-OE2 2.96Å; G158-E161 PolarHBondContact O-N 2.94Å; G158-E161 VanDerWaalsContact O-N 3.15Å; G158-V162 WeakPolarHBondContact O-CG2 3.48Å; G158-V162 PolarHBondContact O-N 3.48Å
159	Q	98.6	Very high	98.6	Very high	94 Å²	94	36.4 Å²	36.4	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-51.2	-42	178.7	-178.1	70.4	52.3	0	0	112.8	I146 E161 V162 D163	I146-Q159 HydrophobicContact CD1-CB 4.27Å; Q159-E161 PolarHBondContact O-N 3.34Å; Q159-V162 PolarHBondContact O-N 3.48Å; Q159-D163 PolarHBondContact NE2-OD1 3.28Å; Q159-D163 WeakPolarHBondContact O-CB 3.46Å; Q159-D163 PolarHBondContact O-N 2.95Å
160	T	98.7	Very high	98.6	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-42.8	-176.4	-61.8	0	0	0	0	111.2	G158 I164 K414 K418 R421	G158-T160 PolarHBondContact O-N 3.21Å; T160-I164 HydrophobicContact CG2-CD1 3.94Å; T160-I164 WeakPolarHBondContact O-CD1 3.4Å; T160-I164 WeakPolarHBondContact O-CG1 3.45Å; T160-I164 PolarHBondContact O-N 3.24Å; T160-I164 VanDerWaalsContact O-N 3.09Å; T160-K414 HydrophobicContact CG2-CB 4.17Å; T160-K418 HydrophobicContact CG2-CD 4.19Å; T160-R421 PolarHBondContact OG1-NH2 3.37Å
161	E	98.8	Very high	98.6	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-69	-40.8	179.4	-70.1	64.5	-129.7	0	0	111.7	L155 I157 G158 Q159 I164 M165 I203 K418	L155-E161 HydrophobicContact CD1-CG 4.28Å; L155-E161 HydrophobicContact CD2-CG 4.07Å; L155-E161 HydrophobicContact CG-CG 4.22Å; I157-E161 HydrophobicContact CD1-CB 4.23Å; I157-E161 HydrophobicContact CD1-CG 4.33Å; I157-E161 HydrophobicContact CG2-CB 4.13Å; G158-E161 PolarHBondContact N-OE2 2.96Å; G158-E161 PolarHBondContact O-N 2.94Å; G158-E161 VanDerWaalsContact O-N 3.15Å; Q159-E161 PolarHBondContact O-N 3.34Å; E161-I164 PolarHBondContact O-N 3Å; E161-M165 HydrophobicContact CB-CE 4.49Å; E161-M165 WeakPolarHBondContact O-CE 3.45Å; E161-M165 PolarHBondContact O-N 2.8Å; E161-I203 HydrophobicContact CB-CD1 3.6Å; E161-I203 HydrophobicContact CG-CD1 3.63Å; E161-K418 IonicContact OE1-NZ 3.5Å; E161-K418 PolarHBondContact OE1-NZ 3Å; E161-K418 IonicContact OE2-NZ 2.91Å
162	V	98.9	Very high	98.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-46.4	175.8	175.1	0	0	0	0	111.3	W98 E142 L145 I146 I157 G158 Q159 I164 M165 S166	W98-V162 HydrophobicContact CH2-CG1 4.2Å; E142-V162 HydrophobicContact CB-CG1 3.95Å; E142-V162 HydrophobicContact CG-CG1 3.83Å; L145-V162 HydrophobicContact CB-CG2 4.43Å; L145-V162 HydrophobicContact CD2-CG1 4.35Å; L145-V162 HydrophobicContact CD2-CG2 3.63Å; L145-V162 HydrophobicContact CG-CG2 3.78Å; I146-V162 HydrophobicContact CG1-CB 4.35Å; I146-V162 HydrophobicContact CG1-CG2 3.87Å; I157-V162 HydrophobicContact CG2-CG2 3.91Å; G158-V162 WeakPolarHBondContact O-CG2 3.48Å; G158-V162 PolarHBondContact O-N 3.48Å; Q159-V162 PolarHBondContact O-N 3.48Å; V162-I164 VanDerWaalsContact C-N 3.26Å; V162-I164 PolarHBondContact O-N 3.45Å; V162-M165 HydrophobicContact CG2-CE 4.49Å; V162-M165 PolarHBondContact O-N 2.93Å; V162-S166 WeakPolarHBondContact O-CB 3.42Å; V162-S166 PolarHBondContact O-N 2.85Å
163	D	98.9	Very high	98.7	Very high	25 Å²	25	23.6 Å²	23.6	13%	0.134	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-42.8	175.2	-70.2	-19.6	0	0	0	111	Q159 S166 H167 W410 K414	Q159-D163 PolarHBondContact NE2-OD1 3.28Å; Q159-D163 WeakPolarHBondContact O-CB 3.46Å; Q159-D163 PolarHBondContact O-N 2.95Å; D163-S166 PolarHBondContact O-N 3.03Å; D163-H167 PolarHBondContact O-N 3.45Å; D163-H167 PolarHBondContact O-ND1 2.87Å; D163-W410 HydrophobicContact CB-CH2 3.8Å; D163-W410 HydrophobicContact CB-CZ2 4.27Å; D163-K414 WeakPolarHBondContact OD2-CE 3.35Å; D163-K414 IonicContact OD2-NZ 3.62Å; D163-K414 PolarHBondContact OD2-NZ 3.27Å
164	I	98.9	Very high	98.7	Very high	9 Å²	9	24.3 Å²	24.3	5%	0.046	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-49.6	-179.8	-72.2	165.6	0	0	0	111.3	T160 E161 V162 S166 H167 A168 W410 I411 Q415	T160-I164 HydrophobicContact CG2-CD1 3.94Å; T160-I164 WeakPolarHBondContact O-CD1 3.4Å; T160-I164 WeakPolarHBondContact O-CG1 3.45Å; T160-I164 PolarHBondContact O-N 3.24Å; T160-I164 VanDerWaalsContact O-N 3.09Å; E161-I164 PolarHBondContact O-N 3Å; V162-I164 VanDerWaalsContact C-N 3.26Å; V162-I164 PolarHBondContact O-N 3.45Å; I164-S166 VanDerWaalsContact C-N 3.31Å; I164-S166 PolarHBondContact O-N 2.9Å; I164-H167 PolarHBondContact O-N 3.39Å; I164-A168 WeakPolarHBondContact O-CB 3.38Å; I164-A168 PolarHBondContact O-N 2.98Å; I164-W410 HydrophobicContact CB-CZ3 4.45Å; I164-W410 HydrophobicContact CG1-CH2 4.28Å; I164-W410 HydrophobicContact CG1-CZ3 3.89Å; I164-I411 HydrophobicContact CD1-CG2 4.16Å; I164-I411 HydrophobicContact CG1-CG1 4.26Å; I164-I411 HydrophobicContact CG1-CG2 4.44Å; I164-I411 HydrophobicContact CG2-CD1 3.95Å; I164-I411 HydrophobicContact CG2-CG1 4.15Å; I164-Q415 VanDerWaalsContact CD1-NE2 3.29Å
165	M	98.9	Very high	98.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-37.6	178.5	-71.2	-178.1	-78	0	0	111.9	I94 W98 I157 E161 V162 A168 T169 F194 I203	I94-M165 HydrophobicContact CD1-CE 4.06Å; I94-M165 HydrophobicContact CD1-SD 3.53Å; I94-M165 VanDerWaalsContact CD1-SD 3.53Å; W98-M165 HydrophobicContact CD2-CB 4.16Å; W98-M165 HydrophobicContact CE3-CB 4.43Å; W98-M165 HydrophobicContact CH2-CB 3.63Å; W98-M165 HydrophobicContact CZ2-CB 3.31Å; W98-M165 HydrophobicContact CZ2-CE 3.79Å; W98-M165 HydrophobicContact CZ2-CG 4.13Å; W98-M165 HydrophobicContact CZ2-SD 3.77Å; W98-M165 HydrophobicContact CZ3-CB 4.2Å; I157-M165 HydrophobicContact CG2-CE 3.78Å; E161-M165 HydrophobicContact CB-CE 4.49Å; E161-M165 WeakPolarHBondContact O-CE 3.45Å; E161-M165 PolarHBondContact O-N 2.8Å; V162-M165 HydrophobicContact CG2-CE 4.49Å; V162-M165 PolarHBondContact O-N 2.93Å; M165-A168 PolarHBondContact O-N 3.01Å; M165-T169 VanDerWaalsContact O-CB 3.31Å; M165-T169 WeakPolarHBondContact O-CB 3.45Å; M165-T169 PolarHBondContact O-N 3.37Å; M165-T169 PolarHBondContact O-OG1 3.11Å; M165-F194 HydrophobicContact CB-CD2 3.98Å; M165-F194 HydrophobicContact CB-CE2 3.98Å; M165-F194 HydrophobicContact CG-CB 4.25Å; M165-F194 HydrophobicContact CG-CD1 4.39Å; M165-F194 HydrophobicContact CG-CD2 3.79Å; M165-F194 HydrophobicContact CG-CE2 4.22Å; M165-F194 HydrophobicContact CG-CG 3.89Å; M165-F194 HydrophobicContact SD-CB 3.92Å; M165-F194 HydrophobicContact SD-CD2 4.05Å; M165-F194 HydrophobicContact SD-CG 4.14Å; M165-I203 HydrophobicContact CG-CD1 4.45Å; M165-I203 HydrophobicContact CG-CG2 3.82Å; M165-I203 HydrophobicContact SD-CG2 4.35Å
166	S	98.9	Very high	98.8	Very high	20 Å²	20	19.6 Å²	19.6	14%	0.14	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-49.8	177	-166.6	0	0	0	0	111.7	E142 V162 D163 I164 T169 Q170	E142-S166 PolarHBondContact OE1-OG 3.49Å; V162-S166 WeakPolarHBondContact O-CB 3.42Å; V162-S166 PolarHBondContact O-N 2.85Å; D163-S166 PolarHBondContact O-N 3.03Å; I164-S166 VanDerWaalsContact C-N 3.31Å; I164-S166 PolarHBondContact O-N 2.9Å; S166-T169 WeakPolarHBondContact O-CB 3.17Å; S166-T169 PolarHBondContact O-N 3.29Å; S166-Q170 PolarHBondContact O-N 3.39Å
167	H	98.9	Very high	98.9	Very high	72 Å²	72	17.7 Å²	17.7	33%	0.333	9%	0.093	S	C	.	.	H	α-helix	trans	-68	-38.5	177.9	-73.7	70.7	0	0	0	112.6	D163 I164 Q170 A171 L407 W410	D163-H167 PolarHBondContact O-N 3.45Å; D163-H167 PolarHBondContact O-ND1 2.87Å; I164-H167 PolarHBondContact O-N 3.39Å; H167-Q170 PolarHBondContact O-N 2.91Å; H167-A171 WeakPolarHBondContact O-CB 3.5Å; H167-A171 PolarHBondContact O-N 2.74Å; H167-L407 HydrophobicContact CB-CD1 3.9Å; H167-W410 HydrophobicContact CB-CE3 4.19Å; H167-W410 HydrophobicContact CB-CH2 4.06Å; H167-W410 HydrophobicContact CB-CZ3 3.81Å; H167-W410 AromaticContact CD2-CE2 3.92Å; H167-W410 AromaticContact CD2-CZ2 3.89Å; H167-W410 AromaticContact CE1-CH2 3.88Å; H167-W410 AromaticContact CE1-CZ2 3.53Å; H167-W410 AromaticContact CG-CH2 3.63Å; H167-W410 AromaticContact CG-CZ2 3.83Å; H167-W410 AromaticContact CG-CZ3 3.85Å; H167-W410 AromaticContact ND1-CH2 3.44Å; H167-W410 WeakPolarHBondContact ND1-CH2 3.03Å; H167-W410 AromaticContact ND1-CZ2 3.59Å; H167-W410 AromaticContact NE2-CE2 3.91Å; H167-W410 AromaticContact NE2-CZ2 3.71Å
168	A	98.9	Very high	98.9	Very high	8 Å²	8	21.3 Å²	21.3	7%	0.066	11%	0.108	C	C	.	.	H	α-helix	trans	-64.2	-41.7	176.1	0	0	0	0	0	111.4	I164 M165 Q170 A171 I172 F194 L407	I164-A168 WeakPolarHBondContact O-CB 3.38Å; I164-A168 PolarHBondContact O-N 2.98Å; M165-A168 PolarHBondContact O-N 3.01Å; A168-Q170 VanDerWaalsContact C-N 3.34Å; A168-Q170 PolarHBondContact O-N 2.87Å; A168-A171 PolarHBondContact O-N 3.09Å; A168-I172 WeakPolarHBondContact O-CB 3.41Å; A168-I172 WeakPolarHBondContact O-CD1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.5Å; A168-I172 PolarHBondContact O-N 2.9Å; A168-F194 HydrophobicContact CB-CE1 3.96Å; A168-F194 HydrophobicContact CB-CZ 3.8Å; A168-L407 HydrophobicContact CB-CD1 4.37Å; A168-L407 HydrophobicContact CB-CD2 4.02Å
169	T	98.9	Very high	98.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.6	-47.3	176.6	-62.5	0	0	0	0	111.9	W98 C100 V126 M165 S166 F173 M190 I192 F194	W98-T169 HydrophobicContact CB-CG2 3.97Å; W98-T169 WeakPolarHBondContact CB-OG1 3.46Å; C100-T169 HydrophobicContact CB-CG2 3.91Å; V126-T169 HydrophobicContact CG1-CG2 4.17Å; V126-T169 HydrophobicContact CG2-CG2 4.29Å; M165-T169 VanDerWaalsContact O-CB 3.31Å; M165-T169 WeakPolarHBondContact O-CB 3.45Å; M165-T169 PolarHBondContact O-N 3.37Å; M165-T169 PolarHBondContact O-OG1 3.11Å; S166-T169 WeakPolarHBondContact O-CB 3.17Å; S166-T169 PolarHBondContact O-N 3.29Å; T169-F173 WeakPolarHBondContact O-CB 3.18Å; T169-F173 PolarHBondContact O-N 2.9Å; T169-M190 WeakPolarHBondContact O-CE 3.15Å; T169-I192 HydrophobicContact CG2-CD1 4.21Å; T169-I192 HydrophobicContact CG2-CG1 4.37Å; T169-F194 WeakPolarHBondContact OG1-CE2 3.4Å
170	Q	98.9	Very high	98.9	Very high	39 Å²	39	16 Å²	16	18%	0.182	8%	0.078	C	C	.	.	H	α-helix	trans	-64.4	-45.3	176.8	-179.8	178.5	71.1	0	0	112	P124 V126 S166 H167 A168 I172 F173 E174	P124-Q170 HydrophobicContact CB-CG 4.44Å; P124-Q170 HydrophobicContact CG-CG 4.39Å; P124-Q170 PolarHBondContact O-NE2 2.74Å; V126-Q170 HydrophobicContact CG2-CB 4.09Å; S166-Q170 PolarHBondContact O-N 3.39Å; H167-Q170 PolarHBondContact O-N 2.91Å; A168-Q170 VanDerWaalsContact C-N 3.34Å; A168-Q170 PolarHBondContact O-N 2.87Å; Q170-I172 PolarHBondContact O-N 3.09Å; Q170-F173 WeakPolarHBondContact O-CB 3.31Å; Q170-F173 PolarHBondContact O-N 2.89Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.48Å; Q170-E174 VanDerWaalsContact O-CG 3.32Å; Q170-E174 WeakPolarHBondContact O-CG 3.36Å; Q170-E174 PolarHBondContact O-N 3.07Å
171	A	98.9	Very high	98.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-43.4	-179.8	0	0	0	0	0	112.7	H167 A168 F173 E174 I175 L407	H167-A171 WeakPolarHBondContact O-CB 3.5Å; H167-A171 PolarHBondContact O-N 2.74Å; A168-A171 PolarHBondContact O-N 3.09Å; A171-F173 VanDerWaalsContact C-N 3.32Å; A171-F173 PolarHBondContact O-N 3.35Å; A171-E174 PolarHBondContact O-N 3.24Å; A171-I175 WeakPolarHBondContact O-CG1 3.38Å; A171-I175 PolarHBondContact O-N 3.35Å; A171-L407 HydrophobicContact CB-CB 4.26Å; A171-L407 HydrophobicContact CB-CD2 3.92Å; A171-L407 HydrophobicContact CB-CG 4.46Å
172	I	98.9	Very high	98.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-61.3	-44.5	175.8	-66.9	161.1	0	0	0	109.6	L68 I73 A168 Q170 E174 I175 L176 M190 I192 F194 L205 I209	L68-I172 HydrophobicContact CD1-CG2 3.88Å; L68-I172 HydrophobicContact CD2-CG2 4.01Å; I73-I172 HydrophobicContact CD1-CG1 4.37Å; I73-I172 HydrophobicContact CG1-CG1 4.37Å; I73-I172 HydrophobicContact CG2-CD1 4.02Å; I73-I172 HydrophobicContact CG2-CG1 3.9Å; A168-I172 WeakPolarHBondContact O-CB 3.41Å; A168-I172 WeakPolarHBondContact O-CD1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.5Å; A168-I172 PolarHBondContact O-N 2.9Å; Q170-I172 PolarHBondContact O-N 3.09Å; I172-E174 VanDerWaalsContact C-N 3.35Å; I172-E174 PolarHBondContact O-N 2.76Å; I172-I175 PolarHBondContact O-N 3.09Å; I172-L176 HydrophobicContact CG2-CD1 4.3Å; I172-L176 WeakPolarHBondContact O-CG 3.25Å; I172-L176 PolarHBondContact O-N 3.29Å; I172-M190 HydrophobicContact CB-CE 3.98Å; I172-M190 HydrophobicContact CG2-CE 3.69Å; I172-M190 HydrophobicContact CG2-SD 4.41Å; I172-I192 HydrophobicContact CB-CD1 4.47Å; I172-I192 HydrophobicContact CD1-CD1 3.71Å; I172-F194 HydrophobicContact CD1-CE1 4.27Å; I172-F194 HydrophobicContact CD1-CZ 4.17Å; I172-L205 HydrophobicContact CD1-CB 4.26Å; I172-L205 HydrophobicContact CD1-CD1 4.36Å; I172-L205 HydrophobicContact CD1-CD2 4.12Å; I172-L205 HydrophobicContact CD1-CG 4.48Å; I172-I209 HydrophobicContact CG2-CD1 4.4Å
173	F	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-47.6	178.3	177.7	-95.7	0	0	0	111.4	C100 R102 P124 T169 Q170 A171 I175 L176 E177 L187 M190	C100-F173 HydrophobicContact CB-CB 3.63Å; C100-F173 HydrophobicContact CB-CD2 3.82Å; C100-F173 HydrophobicContact CB-CG 3.73Å; C100-F173 VanDerWaalsContact SG-CB 3.53Å; C100-F173 VanDerWaalsContact SG-CG 3.6Å; R102-F173 HydrophobicContact CB-CE1 3.81Å; R102-F173 HydrophobicContact CB-CZ 3.65Å; P124-F173 HydrophobicContact CB-CD1 3.94Å; P124-F173 HydrophobicContact CB-CE1 4.2Å; P124-F173 HydrophobicContact CG-CD1 3.94Å; P124-F173 HydrophobicContact CG-CE1 4.17Å; T169-F173 WeakPolarHBondContact O-CB 3.18Å; T169-F173 PolarHBondContact O-N 2.9Å; Q170-F173 WeakPolarHBondContact O-CB 3.31Å; Q170-F173 PolarHBondContact O-N 2.89Å; A171-F173 VanDerWaalsContact C-N 3.32Å; A171-F173 PolarHBondContact O-N 3.35Å; F173-I175 VanDerWaalsContact C-N 3.34Å; F173-I175 PolarHBondContact O-N 2.67Å; F173-L176 PolarHBondContact O-N 2.87Å; F173-E177 HydrophobicContact CE1-CB 4.24Å; F173-E177 HydrophobicContact CE1-CG 4.47Å; F173-E177 VanDerWaalsContact O-CB 3.26Å; F173-E177 WeakPolarHBondContact O-CB 3.47Å; F173-E177 PolarHBondContact O-N 2.82Å; F173-L187 HydrophobicContact CD2-CD2 3.99Å; F173-L187 HydrophobicContact CD2-CG 4.46Å; F173-L187 HydrophobicContact CE2-CD2 3.84Å; F173-L187 HydrophobicContact CE2-CG 3.85Å; F173-L187 HydrophobicContact CZ-CD2 4.46Å; F173-L187 HydrophobicContact CZ-CG 4.39Å; F173-M190 HydrophobicContact CB-CE 3.61Å; F173-M190 HydrophobicContact CB-SD 3.97Å; F173-M190 HydrophobicContact CD2-CB 4.34Å; F173-M190 HydrophobicContact CD2-CE 4.48Å; F173-M190 HydrophobicContact CD2-CG 3.84Å; F173-M190 HydrophobicContact CD2-SD 3.88Å; F173-M190 HydrophobicContact CG-SD 4.42Å; F173-M190 VanDerWaalsContact N-CE 3.33Å
174	E	98.9	Very high	98.8	Very high	29 Å²	29	29.3 Å²	29.3	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-34.2	-178.1	-66.7	169.9	-168.9	0	0	112.4	P124 Q170 A171 I172 K178 W399 R403	P124-E174 WeakPolarHBondContact CD-OE1 3.33Å; P124-E174 HydrophobicContact CG-CG 3.96Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.48Å; Q170-E174 VanDerWaalsContact O-CG 3.32Å; Q170-E174 WeakPolarHBondContact O-CG 3.36Å; Q170-E174 PolarHBondContact O-N 3.07Å; A171-E174 PolarHBondContact O-N 3.24Å; I172-E174 VanDerWaalsContact C-N 3.35Å; I172-E174 PolarHBondContact O-N 2.76Å; E174-K178 WeakPolarHBondContact O-CB 3.21Å; E174-K178 PolarHBondContact O-N 3.34Å; E174-W399 HydrophobicContact CB-CH2 3.89Å; E174-R403 IonicContact OE1-NH2 3.61Å; E174-R403 IonicContact OE2-CZ 3.61Å; E174-R403 VanDerWaalsContact OE2-CZ 3.22Å; E174-R403 IonicContact OE2-NE 3Å; E174-R403 PolarHBondContact OE2-NE 3.01Å; E174-R403 IonicContact OE2-NH2 3.73Å; E174-R403 PolarHBondContact OE2-NH2 3.46Å
175	I	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-49.6	171.9	-71.3	167.1	0	0	0	110.8	L68 A71 I73 A171 I172 F173 K178 S179 W399 R403 A404	L68-I175 HydrophobicContact CD2-CB 4.16Å; L68-I175 HydrophobicContact CD2-CD1 4.43Å; L68-I175 HydrophobicContact CD2-CG2 3.68Å; A71-I175 HydrophobicContact CB-CD1 4.45Å; I73-I175 HydrophobicContact CD1-CD1 3.89Å; I73-I175 HydrophobicContact CG1-CD1 3.85Å; A171-I175 WeakPolarHBondContact O-CG1 3.38Å; A171-I175 PolarHBondContact O-N 3.35Å; I172-I175 PolarHBondContact O-N 3.09Å; F173-I175 VanDerWaalsContact C-N 3.34Å; F173-I175 PolarHBondContact O-N 2.67Å; I175-K178 PolarHBondContact O-N 3.06Å; I175-S179 WeakPolarHBondContact O-CB 3.4Å; I175-S179 PolarHBondContact O-N 3.15Å; I175-S179 PolarHBondContact O-OG 3.13Å; I175-W399 HydrophobicContact CG1-CZ3 4.06Å; I175-R403 HydrophobicContact CD1-CB 4.49Å; I175-R403 HydrophobicContact CD1-CG 4.39Å; I175-R403 HydrophobicContact CG1-CB 4.16Å; I175-R403 HydrophobicContact CG1-CG 4.03Å; I175-A404 HydrophobicContact CD1-CB 4.27Å
176	L	98.9	Very high	98.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.9	-37.4	179.5	-60.9	-172.8	0	0	0	111.9	I64 L67 L68 I172 F173 S179 W180 L187 M190 I209 W214	I64-L176 HydrophobicContact CD1-CD2 4.1Å; I64-L176 HydrophobicContact CG2-CD1 4.05Å; I64-L176 HydrophobicContact CG2-CD2 3.9Å; L67-L176 HydrophobicContact CD2-CD2 3.98Å; L68-L176 HydrophobicContact CD1-CD2 4.36Å; L68-L176 HydrophobicContact CD2-CD2 4.02Å; L68-L176 HydrophobicContact CD2-CG 4.39Å; L68-L176 HydrophobicContact CG-CD2 4.18Å; I172-L176 HydrophobicContact CG2-CD1 4.3Å; I172-L176 WeakPolarHBondContact O-CG 3.25Å; I172-L176 PolarHBondContact O-N 3.29Å; F173-L176 PolarHBondContact O-N 2.87Å; L176-S179 PolarHBondContact O-N 3.44Å; L176-W180 VanDerWaalsContact O-CD1 3.28Å; L176-W180 PolarHBondContact O-N 3.19Å; L176-L187 HydrophobicContact CB-CD2 3.58Å; L176-M190 HydrophobicContact CD1-SD 4.03Å; L176-I209 HydrophobicContact CD1-CD1 4.25Å; L176-I209 HydrophobicContact CD1-CG2 4.26Å; L176-W214 HydrophobicContact CD1-CZ3 4.45Å
177	E	98.9	Very high	98.8	Very high	41 Å²	41	29.8 Å²	29.8	19%	0.192	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-46.8	174.6	-177.9	-177.9	-131.7	0	0	110.9	R102 F173 S179 L181 L187	R102-E177 WeakPolarHBondContact CB-OE1 3.3Å; R102-E177 VanDerWaalsContact CG-OE1 3.23Å; R102-E177 WeakPolarHBondContact CG-OE1 3.44Å; R102-E177 IonicContact CZ-OE1 3.17Å; R102-E177 IonicContact CZ-OE2 2.73Å; R102-E177 IonicContact NE-OE1 2.75Å; R102-E177 PolarHBondContact NE-OE1 3.04Å; R102-E177 IonicContact NE-OE2 2.79Å; R102-E177 PolarHBondContact NE-OE2 3.37Å; R102-E177 IonicContact NH2-OE1 3.86Å; R102-E177 IonicContact NH2-OE2 2.72Å; R102-E177 PolarHBondContact NH2-OE2 2.75Å; F173-E177 HydrophobicContact CE1-CB 4.24Å; F173-E177 HydrophobicContact CE1-CG 4.47Å; F173-E177 VanDerWaalsContact O-CB 3.26Å; F173-E177 WeakPolarHBondContact O-CB 3.47Å; F173-E177 PolarHBondContact O-N 2.82Å; E177-S179 VanDerWaalsContact C-N 3.34Å; E177-S179 PolarHBondContact O-N 3.47Å; E177-L181 PolarHBondContact O-N 3.31Å; E177-L187 HydrophobicContact CB-CB 4.25Å; E177-L187 HydrophobicContact CB-CD2 4.2Å; E177-L187 HydrophobicContact CG-CB 4.49Å
178	K	98.8	Very high	98.8	Very high	75 Å²	75	26.3 Å²	26.3	33%	0.326	14%	0.137	S	C	.	.	H	α-helix	trans	-64.6	-38.9	177	-174.3	60	58.9	179.3	0	112	E174 I175 L181 P182 H396 W399	E174-K178 WeakPolarHBondContact O-CB 3.21Å; E174-K178 PolarHBondContact O-N 3.34Å; I175-K178 PolarHBondContact O-N 3.06Å; K178-L181 WeakPolarHBondContact O-CB 3.19Å; K178-L181 PolarHBondContact O-N 2.94Å; K178-P182 WeakPolarHBondContact O-CD 3.43Å; K178-H396 HydrophobicContact CG-CB 3.92Å; K178-W399 HydrophobicContact CB-CD2 4.37Å; K178-W399 HydrophobicContact CB-CE3 3.78Å; K178-W399 HydrophobicContact CB-CH2 4.46Å; K178-W399 HydrophobicContact CB-CZ3 3.85Å; K178-W399 HydrophobicContact CG-CD2 3.88Å; K178-W399 HydrophobicContact CG-CE3 3.7Å; K178-W399 HydrophobicContact CG-CG 4.26Å; K178-W399 HydrophobicContact CG-CZ3 4.27Å
179	S	98.9	Very high	98.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-74	-29.6	-175.8	-53.4	0	0	0	0	113	I175 L176 E177 L181 P182 L259 H396	I175-S179 WeakPolarHBondContact O-CB 3.4Å; I175-S179 PolarHBondContact O-N 3.15Å; I175-S179 PolarHBondContact O-OG 3.13Å; L176-S179 PolarHBondContact O-N 3.44Å; E177-S179 VanDerWaalsContact C-N 3.34Å; E177-S179 PolarHBondContact O-N 3.47Å; S179-L181 VanDerWaalsContact C-N 3.34Å; S179-P182 WeakPolarHBondContact O-CD 3.49Å; S179-L259 WeakPolarHBondContact O-CG 3.26Å; S179-H396 PolarHBondContact OG-CD2 3Å
180	W	98.8	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-78.3	-17	173.4	-83.8	113.8	0	0	0	113.8	L176 Q183 C185 W214 L216 V252 R255 V256 L259	L176-W180 VanDerWaalsContact O-CD1 3.28Å; L176-W180 PolarHBondContact O-N 3.19Å; W180-Q183 HydrophobicContact CE3-CB 4.07Å; W180-Q183 HydrophobicContact CE3-CG 4.23Å; W180-Q183 HydrophobicContact CZ3-CB 4.38Å; W180-Q183 HydrophobicContact CZ3-CG 4.4Å; W180-Q183 WeakPolarHBondContact O-CB 2.96Å; W180-Q183 PolarHBondContact O-N 3.27Å; W180-Q183 VanDerWaalsContact O-N 3.1Å; W180-C185 HydrophobicContact CB-CB 4.06Å; W180-C185 HydrophobicContact CD2-CB 4.39Å; W180-C185 HydrophobicContact CE3-CB 3.9Å; W180-C185 PolarHBondContact O-N 3.01Å; W180-W214 AromaticContact CE2-CH2 3.82Å; W180-W214 AromaticContact CZ2-CH2 3.63Å; W180-W214 HydrophobicContact CZ2-CH2 3.63Å; W180-W214 AromaticContact CZ2-CZ2 3.7Å; W180-W214 HydrophobicContact CZ2-CZ2 3.7Å; W180-W214 AromaticContact NE1-CH2 3.42Å; W180-W214 AromaticContact NE1-CZ2 3.95Å; W180-W214 AromaticContact NE1-CZ3 3.52Å; W180-L216 HydrophobicContact CB-CD1 4.32Å; W180-L216 HydrophobicContact CD2-CD1 3.93Å; W180-L216 HydrophobicContact CD2-CD2 4.03Å; W180-L216 HydrophobicContact CE3-CD2 4.06Å; W180-L216 HydrophobicContact CG-CD1 3.82Å; W180-L216 HydrophobicContact CH2-CD2 4.02Å; W180-L216 HydrophobicContact CZ2-CD2 3.96Å; W180-L216 HydrophobicContact CZ3-CD2 4.06Å; W180-V252 HydrophobicContact CH2-CG1 4.04Å; W180-V252 HydrophobicContact CZ2-CG1 4.16Å; W180-R255 HydrophobicContact CH2-CB 4.44Å; W180-R255 HydrophobicContact CZ3-CB 4.21Å; W180-V256 HydrophobicContact CH2-CB 4.45Å; W180-V256 HydrophobicContact CZ2-CG2 4.4Å; W180-L259 HydrophobicContact CD2-CD1 4.08Å; W180-L259 HydrophobicContact CD2-CD2 3.94Å; W180-L259 HydrophobicContact CE3-CD1 3.88Å; W180-L259 HydrophobicContact CG-CD2 4.15Å; W180-L259 HydrophobicContact CH2-CD1 4.2Å; W180-L259 HydrophobicContact CZ2-CD1 4.4Å; W180-L259 HydrophobicContact CZ2-CD2 4.12Å; W180-L259 HydrophobicContact CZ3-CD1 3.94Å
181	L	98.6	Very high	98.8	Very high	102 Å²	102	26.5 Å²	26.5	53%	0.534	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-61.4	-43.6	-175.7	-167.2	69.1	0	0	0	113.8	E177 K178 S179 Q183 N184	E177-L181 PolarHBondContact O-N 3.31Å; K178-L181 WeakPolarHBondContact O-CB 3.19Å; K178-L181 PolarHBondContact O-N 2.94Å; S179-L181 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 3.3Å; L181-Q183 VanDerWaalsContact O-N 3.16Å; L181-N184 WeakPolarHBondContact O-CA 3.44Å; L181-N184 PolarHBondContact O-N 2.84Å
182	P	98.4	Very high	98.8	Very high	62 Å²	62	26.5 Å²	26.5	40%	0.403	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-61.2	-21.8	175	-24.4	35.4	0	0	0	114.2	K178 S179 N184	K178-P182 WeakPolarHBondContact O-CD 3.43Å; S179-P182 WeakPolarHBondContact O-CD 3.49Å; P182-N184 PolarHBondContact O-N 2.91Å
183	Q	98.4	Very high	98.8	Very high	57 Å²	57	27 Å²	27	27%	0.266	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-88.2	11.8	175.4	-52.5	-53.5	-53.1	0	0	112.4	W180 L181 C185 L258 L259	W180-Q183 HydrophobicContact CE3-CB 4.07Å; W180-Q183 HydrophobicContact CE3-CG 4.23Å; W180-Q183 HydrophobicContact CZ3-CB 4.38Å; W180-Q183 HydrophobicContact CZ3-CG 4.4Å; W180-Q183 WeakPolarHBondContact O-CB 2.96Å; W180-Q183 PolarHBondContact O-N 3.27Å; W180-Q183 VanDerWaalsContact O-N 3.1Å; L181-Q183 PolarHBondContact O-N 3.3Å; L181-Q183 VanDerWaalsContact O-N 3.16Å; Q183-C185 PolarHBondContact O-N 3.36Å; Q183-C185 PolarHBondContact O-SG 2.69Å; Q183-C185 VanDerWaalsContact O-SG 3.34Å; Q183-L258 VanDerWaalsContact OE1-CD1 3.31Å; Q183-L259 HydrophobicContact CG-CD1 3.94Å
184	N	98.6	Very high	98.8	Very high	99 Å²	99	27.3 Å²	27.3	53%	0.529	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	40.8	-174.8	-171.6	33.7	0	0	0	112.1	L181 P182 S219	L181-N184 WeakPolarHBondContact O-CA 3.44Å; L181-N184 PolarHBondContact O-N 2.84Å; P182-N184 PolarHBondContact O-N 2.91Å; N184-S219 PolarHBondContact ND2-OG 3.41Å; N184-S219 PolarHBondContact O-N 3.42Å
185	C	98.8	Very high	98.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.5	178	-70.9	0	0	0	0	109.9	W180 Q183 L216 W251	W180-C185 HydrophobicContact CB-CB 4.06Å; W180-C185 HydrophobicContact CD2-CB 4.39Å; W180-C185 HydrophobicContact CE3-CB 3.9Å; W180-C185 PolarHBondContact O-N 3.01Å; Q183-C185 PolarHBondContact O-N 3.36Å; Q183-C185 PolarHBondContact O-SG 2.69Å; Q183-C185 VanDerWaalsContact O-SG 3.34Å; C185-L216 HydrophobicContact CB-CD1 4Å; C185-L216 HydrophobicContact CB-CD2 4.48Å; C185-L216 HydrophobicContact CB-CG 4.14Å; C185-W251 VanDerWaalsContact SG-CH2 3.57Å
186	T	98.9	Very high	98.8	Very high	36 Å²	36	25.9 Å²	25.9	22%	0.221	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.7	170.3	-63.5	0	0	0	0	108.8	I103 V188 W217 G220	I103-T186 HydrophobicContact CD1-CG2 3.73Å; T186-V188 HydrophobicContact CG2-CG2 4.28Å; T186-V188 PolarHBondContact O-N 3.4Å; T186-W217 PolarHBondContact N-O 3Å; T186-W217 PolarHBondContact O-N 3.43Å; T186-G220 WeakPolarHBondContact OG1-CA 3.44Å; T186-G220 PolarHBondContact OG1-N 2.9Å
187	L	98.9	Very high	98.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.7	165.8	-171.8	68	0	0	0	108.6	F173 L176 E177 W214 L216	F173-L187 HydrophobicContact CD2-CD2 3.99Å; F173-L187 HydrophobicContact CD2-CG 4.46Å; F173-L187 HydrophobicContact CE2-CD2 3.84Å; F173-L187 HydrophobicContact CE2-CG 3.85Å; F173-L187 HydrophobicContact CZ-CD2 4.46Å; F173-L187 HydrophobicContact CZ-CG 4.39Å; L176-L187 HydrophobicContact CB-CD2 3.58Å; E177-L187 HydrophobicContact CB-CB 4.25Å; E177-L187 HydrophobicContact CB-CD2 4.2Å; E177-L187 HydrophobicContact CG-CB 4.49Å; L187-W214 HydrophobicContact CD1-CB 3.71Å; L187-W214 HydrophobicContact CD1-CD2 4.05Å; L187-W214 HydrophobicContact CD1-CE3 4.01Å; L187-W214 HydrophobicContact CD1-CG 3.96Å; L187-L216 HydrophobicContact CB-CD1 4.35Å; L187-L216 HydrophobicContact CD1-CD1 3.95Å
188	V	98.9	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-52.1	-167	176.3	0	0	0	0	110.6	R102 I103 T105 T186 R215 W217	R102-V188 PolarHBondContact N-O 2.98Å; I103-V188 HydrophobicContact CB-CG1 3.85Å; I103-V188 HydrophobicContact CD1-CG1 4.39Å; I103-V188 HydrophobicContact CD1-CG2 4.37Å; I103-V188 HydrophobicContact CG2-CG1 4.43Å; I103-V188 PolarHBondContact N-O 2.91Å; T105-V188 HydrophobicContact CG2-CG1 3.78Å; T186-V188 HydrophobicContact CG2-CG2 4.28Å; T186-V188 PolarHBondContact O-N 3.4Å; V188-R215 HydrophobicContact CB-CB 3.69Å; V188-R215 HydrophobicContact CG1-CB 4.14Å; V188-R215 HydrophobicContact CG2-CB 4.17Å; V188-R215 PolarHBondContact N-O 3.41Å; V188-W217 HydrophobicContact CG1-CH2 3.89Å; V188-W217 HydrophobicContact CG1-CZ2 3.9Å; V188-W217 HydrophobicContact CG1-CZ3 4.24Å; V188-W217 HydrophobicContact CG2-CB 4.17Å; V188-W217 HydrophobicContact CG2-CD2 3.29Å; V188-W217 HydrophobicContact CG2-CE3 3.57Å; V188-W217 HydrophobicContact CG2-CG 3.58Å; V188-W217 HydrophobicContact CG2-CH2 4.3Å; V188-W217 HydrophobicContact CG2-CZ2 4.08Å; V188-W217 HydrophobicContact CG2-CZ3 4.07Å
189	D	98.9	Very high	98.7	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.032	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	164.9	173.7	57.5	44.6	0	0	0	110.2	C100 R101 W214 R215	C100-D189 CarbonylContact O-C 3.42Å; C100-D189 WeakPolarHBondContact O-CA 3.44Å; C100-D189 WeakPolarHBondContact O-CB 3.39Å; R101-D189 HydrophobicContact CB-CB 4.11Å; R101-D189 HydrophobicContact CG-CB 3.86Å; R101-D189 IonicContact NH1-OD2 3.52Å; R101-D189 PolarHBondContact NH1-OD2 3.08Å; R101-D189 VanDerWaalsContact NH1-OD2 3.08Å; D189-W214 CarbonylContact O-C 3.56Å; D189-W214 VanDerWaalsContact O-CA 3.3Å; D189-W214 WeakPolarHBondContact O-CA 3.46Å; D189-W214 WeakPolarHBondContact O-CB 3.43Å; D189-R215 PolarHBondContact O-N 2.97Å; D189-R215 WeakPolarHBondContact OD1-CD 3.44Å; D189-R215 WeakPolarHBondContact OD1-CG 3.27Å; D189-R215 IonicContact OD1-CZ 2.89Å; D189-R215 IonicContact OD1-NE 3.93Å; D189-R215 IonicContact OD1-NH1 2.84Å; D189-R215 PolarHBondContact OD1-NH1 3.23Å; D189-R215 IonicContact OD2-CZ 3.67Å; D189-R215 IonicContact OD2-NH1 2.74Å; D189-R215 PolarHBondContact OD2-NH1 2.98Å
190	M	98.9	Very high	98.6	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.9	174.2	82.2	-174	-170.5	0	0	111.8	V99 C100 T169 I172 F173 L176 I192 S213 W214	V99-M190 CarbonylContact C-O 3.56Å; V99-M190 VanDerWaalsContact CA-O 3.25Å; V99-M190 WeakPolarHBondContact CA-O 3.45Å; V99-M190 WeakPolarHBondContact CG1-O 3.37Å; C100-M190 HydrophobicContact CB-CE 4.46Å; C100-M190 HydrophobicContact CB-CG 4.44Å; C100-M190 PolarHBondContact N-O 2.96Å; C100-M190 PolarHBondContact O-N 3.22Å; T169-M190 WeakPolarHBondContact O-CE 3.15Å; I172-M190 HydrophobicContact CB-CE 3.98Å; I172-M190 HydrophobicContact CG2-CE 3.69Å; I172-M190 HydrophobicContact CG2-SD 4.41Å; F173-M190 HydrophobicContact CB-CE 3.61Å; F173-M190 HydrophobicContact CB-SD 3.97Å; F173-M190 HydrophobicContact CD2-CB 4.34Å; F173-M190 HydrophobicContact CD2-CE 4.48Å; F173-M190 HydrophobicContact CD2-CG 3.84Å; F173-M190 HydrophobicContact CD2-SD 3.88Å; F173-M190 HydrophobicContact CG-SD 4.42Å; F173-M190 VanDerWaalsContact N-CE 3.33Å; L176-M190 HydrophobicContact CD1-SD 4.03Å; M190-I192 HydrophobicContact CE-CD1 4.08Å; M190-I192 HydrophobicContact CE-CG1 4.39Å; M190-I192 HydrophobicContact CE-CG2 3.78Å; M190-I192 HydrophobicContact CG-CG2 4.43Å; M190-I192 HydrophobicContact SD-CG2 4.23Å; M190-S213 CarbonylContact C-O 3.48Å; M190-S213 WeakPolarHBondContact CA-O 3.37Å; M190-W214 HydrophobicContact CB-CB 4.04Å
191	K	98.8	Very high	98.6	Very high	41 Å²	41	36 Å²	36	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.3	170.7	-173.3	-132.2	61.9	164.4	0	109.7	E97 W98 V99 E193 D207 S213	E97-K191 HydrophobicContact CB-CD 3.77Å; E97-K191 HydrophobicContact CB-CG 3.77Å; E97-K191 HydrophobicContact CG-CD 3.89Å; E97-K191 HydrophobicContact CG-CG 4.44Å; E97-K191 IonicContact OE1-NZ 2.76Å; E97-K191 VanDerWaalsContact OE2-CD 3.31Å; E97-K191 WeakPolarHBondContact OE2-CD 3.44Å; W98-K191 CarbonylContact O-C 3.58Å; W98-K191 WeakPolarHBondContact O-CA 3.4Å; V99-K191 HydrophobicContact CG2-CB 4.18Å; V99-K191 HydrophobicContact CG2-CG 4.04Å; K191-E193 IonicContact NZ-OE1 3.42Å; K191-E193 PolarHBondContact NZ-OE1 2.71Å; K191-D207 IonicContact NZ-OD2 3.66Å; K191-S213 PolarHBondContact N-O 3.25Å
192	I	98.9	Very high	98.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	165.9	173.3	63	172.9	0	0	0	110.7	W98 T169 I172 M190 F194 L205 I209	W98-I192 HydrophobicContact CB-CG1 3.94Å; W98-I192 PolarHBondContact N-O 3.01Å; W98-I192 PolarHBondContact O-N 2.96Å; T169-I192 HydrophobicContact CG2-CD1 4.21Å; T169-I192 HydrophobicContact CG2-CG1 4.37Å; I172-I192 HydrophobicContact CB-CD1 4.47Å; I172-I192 HydrophobicContact CD1-CD1 3.71Å; M190-I192 HydrophobicContact CE-CD1 4.08Å; M190-I192 HydrophobicContact CE-CG1 4.39Å; M190-I192 HydrophobicContact CE-CG2 3.78Å; M190-I192 HydrophobicContact CG-CG2 4.43Å; M190-I192 HydrophobicContact SD-CG2 4.23Å; I192-F194 HydrophobicContact CD1-CE2 3.73Å; I192-F194 HydrophobicContact CD1-CZ 3.58Å; I192-F194 HydrophobicContact CG1-CE2 4.15Å; I192-F194 HydrophobicContact CG1-CZ 4.47Å; I192-L205 HydrophobicContact CB-CD1 3.84Å; I192-L205 HydrophobicContact CD1-CD1 4.1Å; I192-L205 HydrophobicContact CG1-CD1 4.48Å; I192-L205 HydrophobicContact CG2-CD1 4.16Å; I192-I209 HydrophobicContact CG2-CD1 3.66Å; I192-I209 HydrophobicContact CG2-CG1 3.92Å
193	E	98.9	Very high	98.6	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.5	175.5	-62.9	179.8	-154.6	0	0	109.2	M93 K131 K191 A206 D207	M93-E193 HydrophobicContact CE-CB 3.77Å; K131-E193 IonicContact NZ-OE1 2.57Å; K131-E193 PolarHBondContact NZ-OE1 3.12Å; K131-E193 IonicContact NZ-OE2 2.74Å; K191-E193 IonicContact NZ-OE1 3.42Å; K191-E193 PolarHBondContact NZ-OE1 2.71Å; E193-A206 PolarHBondContact O-N 3.3Å; E193-D207 HydrophobicContact CB-CB 3.98Å
194	F	98.9	Very high	98.6	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.022	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	154.8	176.4	-66.2	-88.2	0	0	0	110.4	I94 W98 M165 A168 T169 I172 I192 I203 V204 L205	I94-F194 HydrophobicContact CD1-CB 4.39Å; I94-F194 PolarHBondContact N-O 3.31Å; W98-F194 HydrophobicContact CB-CE2 4.28Å; W98-F194 AromaticContact CD1-CD2 3.51Å; W98-F194 AromaticContact CD1-CE2 3.88Å; W98-F194 HydrophobicContact CD2-CE2 4.33Å; W98-F194 HydrophobicContact CG-CD2 4.01Å; W98-F194 AromaticContact CG-CE2 3.89Å; W98-F194 HydrophobicContact CG-CE2 3.89Å; W98-F194 AromaticContact NE1-CD2 3.7Å; M165-F194 HydrophobicContact CB-CD2 3.98Å; M165-F194 HydrophobicContact CB-CE2 3.98Å; M165-F194 HydrophobicContact CG-CB 4.25Å; M165-F194 HydrophobicContact CG-CD1 4.39Å; M165-F194 HydrophobicContact CG-CD2 3.79Å; M165-F194 HydrophobicContact CG-CE2 4.22Å; M165-F194 HydrophobicContact CG-CG 3.89Å; M165-F194 HydrophobicContact SD-CB 3.92Å; M165-F194 HydrophobicContact SD-CD2 4.05Å; M165-F194 HydrophobicContact SD-CG 4.14Å; A168-F194 HydrophobicContact CB-CE1 3.96Å; A168-F194 HydrophobicContact CB-CZ 3.8Å; T169-F194 WeakPolarHBondContact OG1-CE2 3.4Å; I172-F194 HydrophobicContact CD1-CE1 4.27Å; I172-F194 HydrophobicContact CD1-CZ 4.17Å; I192-F194 HydrophobicContact CD1-CE2 3.73Å; I192-F194 HydrophobicContact CD1-CZ 3.58Å; I192-F194 HydrophobicContact CG1-CE2 4.15Å; I192-F194 HydrophobicContact CG1-CZ 4.47Å; F194-I203 HydrophobicContact CB-CG2 3.98Å; F194-I203 HydrophobicContact CD1-CG2 3.92Å; F194-I203 HydrophobicContact CG-CG2 4.18Å; F194-V204 WeakPolarHBondContact CA-O 3.39Å; F194-V204 WeakPolarHBondContact CD1-O 3.43Å; F194-L205 HydrophobicContact CE1-CB 4.36Å
195	G	98.8	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	163.8	169.1	0	0	0	0	0	111	E92 I203 V204	E92-G195 CarbonylContact O-C 3.54Å; E92-G195 VanDerWaalsContact O-CA 3.26Å; E92-G195 WeakPolarHBondContact O-CA 3.37Å; G195-I203 WeakPolarHBondContact O-CA 3.45Å; G195-V204 PolarHBondContact N-O 2.88Å; G195-V204 PolarHBondContact O-N 3.46Å
196	V	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.3	168.4	-173.7	0	0	0	0	107.8	C91 E92 I94 F152 A153 L155 I157 V198 I203	C91-V196 CarbonylContact C-O 3.5Å; C91-V196 WeakPolarHBondContact CA-O 3.39Å; E92-V196 PolarHBondContact N-O 3.33Å; E92-V196 PolarHBondContact O-N 3.12Å; I94-V196 HydrophobicContact CD1-CG2 4.23Å; I94-V196 HydrophobicContact CG1-CG2 4.45Å; F152-V196 HydrophobicContact CB-CB 4.23Å; F152-V196 HydrophobicContact CB-CG2 3.79Å; A153-V196 HydrophobicContact CB-CB 4.21Å; A153-V196 HydrophobicContact CB-CG1 3.88Å; L155-V196 HydrophobicContact CB-CG1 4.12Å; L155-V196 HydrophobicContact CB-CG2 4.41Å; L155-V196 HydrophobicContact CD2-CG1 4.2Å; L155-V196 HydrophobicContact CD2-CG2 4.02Å; I157-V196 HydrophobicContact CD1-CG2 4.48Å; V196-V198 PolarHBondContact O-N 3.03Å; V196-I203 HydrophobicContact CG2-CG1 4.3Å
197	D	98.6	Very high	98.6	Very high	14 Å²	14	25.9 Å²	25.9	8%	0.075	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	124.7	174	-178.7	-53.9	0	0	0	109.5	P89 T199 T200 K201 E202 V204	P89-D197 WeakPolarHBondContact CB-OD2 3.39Å; D197-T199 PolarHBondContact O-N 3.28Å; D197-T199 VanDerWaalsContact OD1-CA 3.31Å; D197-T199 WeakPolarHBondContact OD1-CA 3.42Å; D197-T199 VanDerWaalsContact OD1-CB 3.26Å; D197-T199 WeakPolarHBondContact OD1-CB 3.46Å; D197-T199 PolarHBondContact OD1-N 3.31Å; D197-T200 VanDerWaalsContact CB-OG1 3.31Å; D197-T200 WeakPolarHBondContact CB-OG1 3.2Å; D197-T200 PolarHBondContact OD1-N 3.43Å; D197-K201 VanDerWaalsContact O-CA 3.27Å; D197-K201 WeakPolarHBondContact O-CA 3.38Å; D197-K201 PolarHBondContact O-N 3.45Å; D197-E202 PolarHBondContact N-O 2.96Å; D197-V204 HydrophobicContact CB-CG2 4.49Å
198	V	98.2	Very high	98.6	Very high	36 Å²	36	26.6 Å²	26.6	22%	0.218	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.7	-173.3	-59.1	0	0	0	0	113	Q90 E92 A153 V196 K201	Q90-V198 HydrophobicContact CB-CG2 3.92Å; Q90-V198 HydrophobicContact CG-CG1 4.31Å; Q90-V198 HydrophobicContact CG-CG2 4.24Å; Q90-V198 WeakPolarHBondContact O-CG2 3.42Å; Q90-V198 PolarHBondContact O-N 3.41Å; E92-V198 HydrophobicContact CG-CG1 4.24Å; A153-V198 HydrophobicContact CB-CG1 4.37Å; V196-V198 PolarHBondContact O-N 3.03Å; V198-K201 WeakPolarHBondContact O-CE 3.2Å; V198-K201 PolarHBondContact O-NZ 3.4Å
199	T	97.8	Very high	98.5	Very high	100 Å²	100	26.7 Å²	26.7	61%	0.613	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-55.6	-179.1	-48.7	0	0	0	0	111.1	D197	D197-T199 PolarHBondContact O-N 3.28Å; D197-T199 VanDerWaalsContact OD1-CA 3.31Å; D197-T199 WeakPolarHBondContact OD1-CA 3.42Å; D197-T199 VanDerWaalsContact OD1-CB 3.26Å; D197-T199 WeakPolarHBondContact OD1-CB 3.46Å; D197-T199 PolarHBondContact OD1-N 3.31Å
200	T	97.9	Very high	98.5	Very high	78 Å²	78	26.7 Å²	26.7	48%	0.479	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-19	-173.5	69.3	0	0	0	0	113.3	D197 E202	D197-T200 VanDerWaalsContact CB-OG1 3.31Å; D197-T200 WeakPolarHBondContact CB-OG1 3.2Å; D197-T200 PolarHBondContact OD1-N 3.43Å; T200-E202 PolarHBondContact O-N 2.93Å; T200-E202 PolarHBondContact OG1-N 3.43Å
201	K	98.3	Very high	98.5	Very high	101 Å²	101	26.6 Å²	26.6	44%	0.439	14%	0.141	S	C	.	.			trans	62.5	11.1	-172.2	-45.3	-54.2	-173.5	-179.8	0	113.9	A153 D197 V198	A153-K201 HydrophobicContact CB-CD 4.35Å; A153-K201 WeakPolarHBondContact O-CD 3.41Å; A153-K201 WeakPolarHBondContact O-CE 3.34Å; A153-K201 PolarHBondContact O-NZ 2.98Å; D197-K201 VanDerWaalsContact O-CA 3.27Å; D197-K201 WeakPolarHBondContact O-CA 3.38Å; D197-K201 PolarHBondContact O-N 3.45Å; V198-K201 WeakPolarHBondContact O-CE 3.2Å; V198-K201 PolarHBondContact O-NZ 3.4Å
202	E	98.1	Very high	98.5	Very high	86 Å²	86	25.7 Å²	25.7	40%	0.402	14%	0.138	S	C	.	.			trans	-76.4	143.1	173	-65.8	-169.7	157.3	0	0	110.2	K74 D197 T200 V204	K74-E202 IonicContact NZ-OE1 3.96Å; K74-E202 IonicContact NZ-OE2 2.81Å; K74-E202 PolarHBondContact NZ-OE2 3.24Å; D197-E202 PolarHBondContact N-O 2.96Å; T200-E202 PolarHBondContact O-N 2.93Å; T200-E202 PolarHBondContact OG1-N 3.43Å; E202-V204 HydrophobicContact CB-CG1 4.23Å
203	I	98.8	Very high	98.5	Very high	28 Å²	28	26.1 Å²	26.1	14%	0.144	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.3	163.5	-66.4	173.8	0	0	0	107.8	L155 I157 E161 M165 F194 G195 V196	L155-I203 HydrophobicContact CD2-CD1 3.95Å; L155-I203 HydrophobicContact CD2-CG1 3.68Å; I157-I203 HydrophobicContact CD1-CD1 4.38Å; E161-I203 HydrophobicContact CB-CD1 3.6Å; E161-I203 HydrophobicContact CG-CD1 3.63Å; M165-I203 HydrophobicContact CG-CD1 4.45Å; M165-I203 HydrophobicContact CG-CG2 3.82Å; M165-I203 HydrophobicContact SD-CG2 4.35Å; F194-I203 HydrophobicContact CB-CG2 3.98Å; F194-I203 HydrophobicContact CD1-CG2 3.92Å; F194-I203 HydrophobicContact CG-CG2 4.18Å; G195-I203 WeakPolarHBondContact O-CA 3.45Å; V196-I203 HydrophobicContact CG2-CG1 4.3Å
204	V	98.9	Very high	98.5	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.055	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.6	-178.6	-60.5	0	0	0	0	110.6	K74 A76 F194 G195 D197 E202 A206	K74-V204 HydrophobicContact CB-CG1 4.11Å; A76-V204 HydrophobicContact CB-CG2 3.92Å; F194-V204 WeakPolarHBondContact CA-O 3.39Å; F194-V204 WeakPolarHBondContact CD1-O 3.43Å; G195-V204 PolarHBondContact N-O 2.88Å; G195-V204 PolarHBondContact O-N 3.46Å; D197-V204 HydrophobicContact CB-CG2 4.49Å; E202-V204 HydrophobicContact CB-CG1 4.23Å; V204-A206 PolarHBondContact O-N 2.93Å
205	L	98.9	Very high	98.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	128.9	165.8	168.7	66.4	0	0	0	108.1	F65 L68 K74 T75 A76 I172 I192 F194 I209	F65-L205 HydrophobicContact CD1-CD2 4.18Å; F65-L205 HydrophobicContact CE1-CD2 3.85Å; F65-L205 HydrophobicContact CE1-CG 4.08Å; L68-L205 HydrophobicContact CD1-CD2 3.55Å; K74-L205 PolarHBondContact O-N 3Å; T75-L205 CarbonylContact C-O 3.55Å; T75-L205 WeakPolarHBondContact CA-O 3.33Å; T75-L205 HydrophobicContact CG2-CB 4.28Å; T75-L205 HydrophobicContact CG2-CD2 3.94Å; T75-L205 HydrophobicContact CG2-CG 4.13Å; A76-L205 WeakPolarHBondContact CB-O 3.44Å; A76-L205 PolarHBondContact N-O 2.98Å; I172-L205 HydrophobicContact CD1-CB 4.26Å; I172-L205 HydrophobicContact CD1-CD1 4.36Å; I172-L205 HydrophobicContact CD1-CD2 4.12Å; I172-L205 HydrophobicContact CD1-CG 4.48Å; I192-L205 HydrophobicContact CB-CD1 3.84Å; I192-L205 HydrophobicContact CD1-CD1 4.1Å; I192-L205 HydrophobicContact CG1-CD1 4.48Å; I192-L205 HydrophobicContact CG2-CD1 4.16Å; F194-L205 HydrophobicContact CE1-CB 4.36Å; L205-I209 HydrophobicContact CD1-CD1 4.2Å; L205-I209 HydrophobicContact CD2-CD1 3.9Å
206	A	98.4	Very high	98.5	Very high	4 Å²	4	27 Å²	27	3%	0.033	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	-155.4	-177.1	0	0	0	0	0	110.7	A76 M93 E193 V204 V208	A76-A206 HydrophobicContact CB-CB 3.98Å; M93-A206 HydrophobicContact CE-CB 3.88Å; M93-A206 HydrophobicContact SD-CB 3.66Å; E193-A206 PolarHBondContact O-N 3.3Å; V204-A206 PolarHBondContact O-N 2.93Å; A206-V208 PolarHBondContact O-N 2.94Å
207	D	97.7	Very high	98.5	Very high	17 Å²	17	27.6 Å²	27.6	9%	0.091	15%	0.146	C	C	.	.	S	Bend	trans	55.9	-124.2	-173.1	-172.2	39.1	0	0	0	112	K19 M93 K191 E193	K19-D207 WeakPolarHBondContact CE-OD1 3.48Å; K19-D207 IonicContact NZ-OD1 2.73Å; K19-D207 PolarHBondContact NZ-OD1 2.73Å; M93-D207 HydrophobicContact CE-CB 3.96Å; K191-D207 IonicContact NZ-OD2 3.66Å; E193-D207 HydrophobicContact CB-CB 3.98Å
208	V	98.2	Very high	98.5	Very high	17 Å²	17	27.4 Å²	27.4	10%	0.103	15%	0.146	C	C	.	.			trans	-144.8	149.1	179.9	-62.9	0	0	0	0	109.6	K19 T61 F86 A206 S213	K19-V208 HydrophobicContact CD-CG1 4.48Å; T61-V208 HydrophobicContact CG2-CB 3.98Å; T61-V208 HydrophobicContact CG2-CG1 4.12Å; F86-V208 HydrophobicContact CE1-CG1 4.03Å; F86-V208 HydrophobicContact CZ-CG1 4.22Å; A206-V208 PolarHBondContact O-N 2.94Å; V208-S213 PolarHBondContact O-OG 2.76Å
209	I	98.8	Very high	98.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.16	C	C	.	.			trans	-116.4	104.9	161.3	-61	175.1	0	0	0	106.6	T61 I64 F65 L68 I172 L176 I192 L205 W214	T61-I209 WeakPolarHBondContact CA-O 3.44Å; T61-I209 PolarHBondContact N-O 3.2Å; T61-I209 VanDerWaalsContact OG1-C 3.28Å; T61-I209 PolarHBondContact OG1-N 2.68Å; T61-I209 PolarHBondContact OG1-O 2.71Å; I64-I209 HydrophobicContact CG2-CB 3.88Å; I64-I209 HydrophobicContact CG2-CD1 4.06Å; I64-I209 HydrophobicContact CG2-CG2 3.87Å; F65-I209 HydrophobicContact CE1-CB 4.25Å; F65-I209 HydrophobicContact CE1-CD1 4Å; F65-I209 HydrophobicContact CE1-CG1 3.85Å; L68-I209 HydrophobicContact CD1-CD1 4Å; I172-I209 HydrophobicContact CG2-CD1 4.4Å; L176-I209 HydrophobicContact CD1-CD1 4.25Å; L176-I209 HydrophobicContact CD1-CG2 4.26Å; I192-I209 HydrophobicContact CG2-CD1 3.66Å; I192-I209 HydrophobicContact CG2-CG1 3.92Å; L205-I209 HydrophobicContact CD1-CD1 4.2Å; L205-I209 HydrophobicContact CD2-CD1 3.9Å; I209-W214 HydrophobicContact CG2-CE3 4.05Å; I209-W214 HydrophobicContact CG2-CZ3 3.95Å
210	D	98.6	Very high	98.5	Very high	7 Å²	7	26 Å²	26	4%	0.037	15%	0.147	C	C	.	.	S	Bend	trans	-127.6	-169.4	177.4	78.7	-4.9	0	0	0	110.7	K53 S57 D212 S213	K53-D210 IonicContact NZ-OD2 3.03Å; K53-D210 PolarHBondContact NZ-OD2 3.06Å; S57-D210 WeakPolarHBondContact CB-OD2 3.4Å; S57-D210 PolarHBondContact OG-OD2 2.88Å; D210-D212 PolarHBondContact O-N 3.12Å; D210-D212 VanDerWaalsContact O-N 3.12Å; D210-D212 WeakPolarHBondContact OD1-CA 3.49Å; D210-D212 WeakPolarHBondContact OD1-CB 3.25Å; D210-D212 PolarHBondContact OD1-N 2.98Å; D210-S213 PolarHBondContact N-OG 3.36Å; D210-S213 WeakPolarHBondContact O-CB 3.31Å; D210-S213 PolarHBondContact O-N 3.06Å
211	N	98.6	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	1.1	-178.2	-154.5	38.6	0	0	0	114	I60 W214 K226 K228 F249	I60-N211 HydrophobicContact CD1-CB 3.97Å; N211-W214 PolarHBondContact OD1-NE1 2.87Å; N211-K226 PolarHBondContact ND2-O 3.34Å; N211-K228 WeakPolarHBondContact O-CB 3.39Å; N211-K228 PolarHBondContact O-N 3.22Å; N211-K228 VanDerWaalsContact O-N 3.07Å; N211-F249 HydrophobicContact CB-CD1 3.79Å; N211-F249 HydrophobicContact CB-CE1 3.56Å; N211-F249 HydrophobicContact CB-CG 4.38Å; N211-F249 HydrophobicContact CB-CZ 4Å; N211-F249 VanDerWaalsContact ND2-CD2 3.33Å; N211-F249 WeakPolarHBondContact ND2-CD2 3.42Å; N211-F249 WeakPolarHBondContact ND2-CG 3.24Å
212	D	98	Very high	98.5	Very high	23 Å²	23	25 Å²	25	12%	0.123	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-25.1	169.1	-54.6	6.6	0	0	0	111.5	K53 D210 K228 R232 F249	K53-D212 VanDerWaalsContact CE-OD1 3.3Å; K53-D212 WeakPolarHBondContact CE-OD1 3.4Å; K53-D212 IonicContact NZ-OD1 2.79Å; K53-D212 PolarHBondContact NZ-OD1 3.33Å; K53-D212 IonicContact NZ-OD2 2.77Å; K53-D212 PolarHBondContact NZ-OD2 3Å; D210-D212 PolarHBondContact O-N 3.12Å; D210-D212 VanDerWaalsContact O-N 3.12Å; D210-D212 WeakPolarHBondContact OD1-CA 3.49Å; D210-D212 WeakPolarHBondContact OD1-CB 3.25Å; D210-D212 PolarHBondContact OD1-N 2.98Å; D212-K228 HydrophobicContact CB-CD 3.49Å; D212-K228 VanDerWaalsContact CB-CD 3.49Å; D212-K228 WeakPolarHBondContact OD1-CD 3.44Å; D212-K228 WeakPolarHBondContact OD2-CD 3.43Å; D212-K228 IonicContact OD2-NZ 2.75Å; D212-K228 PolarHBondContact OD2-NZ 3.46Å; D212-R232 PolarHBondContact O-NH2 3.16Å; D212-F249 VanDerWaalsContact OD1-CE1 3.28Å; D212-F249 WeakPolarHBondContact OD1-CE1 3.33Å; D212-F249 WeakPolarHBondContact OD1-CZ 3.44Å
213	S	98.6	Very high	98.4	Very high	10 Å²	10	25.6 Å²	25.6	7%	0.07	15%	0.15	C	C	.	.	S	Bend	trans	-80.8	-16.6	-170.8	-56.8	0	0	0	0	114.1	M190 K191 V208 D210	M190-S213 CarbonylContact C-O 3.48Å; M190-S213 WeakPolarHBondContact CA-O 3.37Å; K191-S213 PolarHBondContact N-O 3.25Å; V208-S213 PolarHBondContact O-OG 2.76Å; D210-S213 PolarHBondContact N-OG 3.36Å; D210-S213 WeakPolarHBondContact O-CB 3.31Å; D210-S213 PolarHBondContact O-N 3.06Å
214	W	98.8	Very high	98.4	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.011	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	175	-175.8	59.9	35.7	0	0	0	114.4	I60 I64 L176 W180 L187 D189 M190 I209 N211 D227 V252	I60-W214 HydrophobicContact CG2-CH2 4.01Å; I60-W214 HydrophobicContact CG2-CZ2 4.2Å; I64-W214 HydrophobicContact CD1-CH2 3.93Å; I64-W214 HydrophobicContact CD1-CZ3 3.96Å; I64-W214 HydrophobicContact CG1-CH2 4.05Å; I64-W214 HydrophobicContact CG1-CZ3 4.14Å; L176-W214 HydrophobicContact CD1-CZ3 4.45Å; W180-W214 AromaticContact CE2-CH2 3.82Å; W180-W214 AromaticContact CZ2-CH2 3.63Å; W180-W214 HydrophobicContact CZ2-CH2 3.63Å; W180-W214 AromaticContact CZ2-CZ2 3.7Å; W180-W214 HydrophobicContact CZ2-CZ2 3.7Å; W180-W214 AromaticContact NE1-CH2 3.42Å; W180-W214 AromaticContact NE1-CZ2 3.95Å; W180-W214 AromaticContact NE1-CZ3 3.52Å; L187-W214 HydrophobicContact CD1-CB 3.71Å; L187-W214 HydrophobicContact CD1-CD2 4.05Å; L187-W214 HydrophobicContact CD1-CE3 4.01Å; L187-W214 HydrophobicContact CD1-CG 3.96Å; D189-W214 CarbonylContact O-C 3.56Å; D189-W214 VanDerWaalsContact O-CA 3.3Å; D189-W214 WeakPolarHBondContact O-CA 3.46Å; D189-W214 WeakPolarHBondContact O-CB 3.43Å; M190-W214 HydrophobicContact CB-CB 4.04Å; I209-W214 HydrophobicContact CG2-CE3 4.05Å; I209-W214 HydrophobicContact CG2-CZ3 3.95Å; N211-W214 PolarHBondContact OD1-NE1 2.87Å; W214-D227 VanDerWaalsContact O-CB 3.25Å; W214-D227 WeakPolarHBondContact O-CB 3.38Å; W214-V252 HydrophobicContact CZ2-CG1 3.89Å
215	R	98.9	Very high	98.4	Very high	32 Å²	32	29 Å²	29	12%	0.121	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.2	158.8	-76	-179.6	-174.2	89.5	8.4	110.4	V188 D189 D227	V188-R215 HydrophobicContact CB-CB 3.69Å; V188-R215 HydrophobicContact CG1-CB 4.14Å; V188-R215 HydrophobicContact CG2-CB 4.17Å; V188-R215 PolarHBondContact N-O 3.41Å; D189-R215 PolarHBondContact O-N 2.97Å; D189-R215 WeakPolarHBondContact OD1-CD 3.44Å; D189-R215 WeakPolarHBondContact OD1-CG 3.27Å; D189-R215 IonicContact OD1-CZ 2.89Å; D189-R215 IonicContact OD1-NE 3.93Å; D189-R215 IonicContact OD1-NH1 2.84Å; D189-R215 PolarHBondContact OD1-NH1 3.23Å; D189-R215 IonicContact OD2-CZ 3.67Å; D189-R215 IonicContact OD2-NH1 2.74Å; D189-R215 PolarHBondContact OD2-NH1 2.98Å; R215-D227 VanDerWaalsContact CA-OD1 3.31Å; R215-D227 WeakPolarHBondContact CA-OD1 3.37Å
216	L	98.9	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	112.7	-173.7	-161.6	72.6	0	0	0	110.6	W180 C185 L187 K226 D227 V252	W180-L216 HydrophobicContact CB-CD1 4.32Å; W180-L216 HydrophobicContact CD2-CD1 3.93Å; W180-L216 HydrophobicContact CD2-CD2 4.03Å; W180-L216 HydrophobicContact CE3-CD2 4.06Å; W180-L216 HydrophobicContact CG-CD1 3.82Å; W180-L216 HydrophobicContact CH2-CD2 4.02Å; W180-L216 HydrophobicContact CZ2-CD2 3.96Å; W180-L216 HydrophobicContact CZ3-CD2 4.06Å; C185-L216 HydrophobicContact CB-CD1 4Å; C185-L216 HydrophobicContact CB-CD2 4.48Å; C185-L216 HydrophobicContact CB-CG 4.14Å; L187-L216 HydrophobicContact CB-CD1 4.35Å; L187-L216 HydrophobicContact CD1-CD1 3.95Å; L216-K226 PolarHBondContact O-N 3.29Å; L216-D227 PolarHBondContact N-OD1 3.38Å; L216-V252 HydrophobicContact CD2-CG2 4.28Å
217	W	98.8	Very high	98.4	Very high	12 Å²	12	30.2 Å²	30.2	5%	0.045	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	106.9	-175.2	-63	-9.3	0	0	0	110.6	I103 T105 T186 V188 S219 G220 R222	I103-W217 HydrophobicContact CD1-CE3 4.48Å; I103-W217 HydrophobicContact CD1-CZ3 4.21Å; I103-W217 HydrophobicContact CG2-CZ3 4.34Å; T105-W217 HydrophobicContact CG2-CH2 4.35Å; T105-W217 HydrophobicContact CG2-CZ2 4.25Å; T186-W217 PolarHBondContact N-O 3Å; T186-W217 PolarHBondContact O-N 3.43Å; V188-W217 HydrophobicContact CG1-CH2 3.89Å; V188-W217 HydrophobicContact CG1-CZ2 3.9Å; V188-W217 HydrophobicContact CG1-CZ3 4.24Å; V188-W217 HydrophobicContact CG2-CB 4.17Å; V188-W217 HydrophobicContact CG2-CD2 3.29Å; V188-W217 HydrophobicContact CG2-CE3 3.57Å; V188-W217 HydrophobicContact CG2-CG 3.58Å; V188-W217 HydrophobicContact CG2-CH2 4.3Å; V188-W217 HydrophobicContact CG2-CZ2 4.08Å; V188-W217 HydrophobicContact CG2-CZ3 4.07Å; W217-S219 PolarHBondContact O-N 3.48Å; W217-G220 PolarHBondContact O-N 2.94Å; W217-G220 VanDerWaalsContact O-N 3.1Å; W217-R222 HydrophobicContact CD2-CB 3.92Å; W217-R222 HydrophobicContact CD2-CG 4.45Å; W217-R222 HydrophobicContact CE3-CB 4.09Å; W217-R222 HydrophobicContact CH2-CB 4.05Å; W217-R222 HydrophobicContact CH2-CG 4.22Å; W217-R222 HydrophobicContact CZ2-CB 3.86Å; W217-R222 HydrophobicContact CZ2-CG 3.67Å; W217-R222 HydrophobicContact CZ3-CB 4.16Å
218	P	98.8	Very high	98.4	Very high	11 Å²	11	30 Å²	30	7%	0.071	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	133.9	169.1	-24.8	35.2	0	0	0	110.9	G220 D221 Q224 K226 W251	P218-G220 PolarHBondContact O-N 3.37Å; P218-D221 PolarHBondContact O-N 3.37Å; P218-Q224 HydrophobicContact CB-CB 4.27Å; P218-Q224 VanDerWaalsContact CD-O 3.27Å; P218-Q224 WeakPolarHBondContact CD-O 3.43Å; P218-Q224 HydrophobicContact CG-CB 4.22Å; P218-K226 HydrophobicContact CG-CG 3.7Å; P218-W251 HydrophobicContact CG-CH2 4.21Å; P218-W251 HydrophobicContact CG-CZ2 4.5Å
219	S	98.1	Very high	98.4	Very high	73 Å²	73	30.3 Å²	30.3	51%	0.51	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	18.4	-176.3	-54.2	0	0	0	0	114.9	N184 W217 D221	N184-S219 PolarHBondContact ND2-OG 3.41Å; N184-S219 PolarHBondContact O-N 3.42Å; W217-S219 PolarHBondContact O-N 3.48Å; S219-D221 PolarHBondContact O-N 2.94Å
220	G	98	Very high	98.3	Very high	34 Å²	34	30.6 Å²	30.6	35%	0.351	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	12.1	-173.4	0	0	0	0	0	114.7	T186 W217 P218	T186-G220 WeakPolarHBondContact OG1-CA 3.44Å; T186-G220 PolarHBondContact OG1-N 2.9Å; W217-G220 PolarHBondContact O-N 2.94Å; W217-G220 VanDerWaalsContact O-N 3.1Å; P218-G220 PolarHBondContact O-N 3.37Å
221	D	98.3	Very high	98.3	Very high	59 Å²	59	30.3 Å²	30.3	32%	0.316	17%	0.168	S	C	.	.			trans	-94.8	112.4	-178.2	-179.2	-1.6	0	0	0	111.4	P218 S219 S223 Q224	P218-D221 PolarHBondContact O-N 3.37Å; S219-D221 PolarHBondContact O-N 2.94Å; D221-S223 PolarHBondContact O-N 3.17Å; D221-S223 WeakPolarHBondContact OD1-CB 3.37Å; D221-S223 PolarHBondContact OD1-N 3.42Å; D221-S223 PolarHBondContact OD1-OG 3.32Å; D221-S223 PolarHBondContact OD2-OG 3.25Å; D221-Q224 HydrophobicContact CB-CB 4.47Å; D221-Q224 HydrophobicContact CB-CG 4.27Å; D221-Q224 PolarHBondContact O-N 2.94Å; D221-Q224 PolarHBondContact OD2-NE2 2.92Å
222	R	97.9	Very high	98.2	Very high	97 Å²	97	34.7 Å²	34.7	37%	0.366	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-58.6	-32.4	178.5	179.8	177.4	171.9	-164.9	-2.1	112.8	E117 W217 Q224 Q225	E117-R222 WeakPolarHBondContact OE1-CD 3.46Å; E117-R222 IonicContact OE1-CZ 3.77Å; E117-R222 IonicContact OE1-NE 3.01Å; E117-R222 IonicContact OE1-NH1 2.68Å; E117-R222 PolarHBondContact OE1-NH1 3.35Å; E117-R222 IonicContact OE2-CZ 2.73Å; E117-R222 IonicContact OE2-NH1 2.76Å; E117-R222 PolarHBondContact OE2-NH1 2.91Å; W217-R222 HydrophobicContact CD2-CB 3.92Å; W217-R222 HydrophobicContact CD2-CG 4.45Å; W217-R222 HydrophobicContact CE3-CB 4.09Å; W217-R222 HydrophobicContact CH2-CB 4.05Å; W217-R222 HydrophobicContact CH2-CG 4.22Å; W217-R222 HydrophobicContact CZ2-CB 3.86Å; W217-R222 HydrophobicContact CZ2-CG 3.67Å; W217-R222 HydrophobicContact CZ3-CB 4.16Å; R222-Q224 PolarHBondContact O-N 3.4Å; R222-Q224 VanDerWaalsContact O-N 3.16Å; R222-Q225 WeakPolarHBondContact O-CB 3.4Å; R222-Q225 PolarHBondContact O-N 3.44Å; R222-Q225 VanDerWaalsContact O-N 3.12Å
223	S	97.6	Very high	98.1	Very high	100 Å²	100	37 Å²	37	70%	0.699	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-64.9	-20	179.9	76	0	0	0	0	112.4	D221	D221-S223 PolarHBondContact O-N 3.17Å; D221-S223 WeakPolarHBondContact OD1-CB 3.37Å; D221-S223 PolarHBondContact OD1-N 3.42Å; D221-S223 PolarHBondContact OD1-OG 3.32Å; D221-S223 PolarHBondContact OD2-OG 3.25Å
224	Q	98.1	Very high	98	Very high	82 Å²	82	38 Å²	38	38%	0.383	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-97.1	10.4	179.2	-62.8	-177.5	55.8	0	0	113.5	P218 D221 R222 K226	P218-Q224 HydrophobicContact CB-CB 4.27Å; P218-Q224 VanDerWaalsContact CD-O 3.27Å; P218-Q224 WeakPolarHBondContact CD-O 3.43Å; P218-Q224 HydrophobicContact CG-CB 4.22Å; D221-Q224 HydrophobicContact CB-CB 4.47Å; D221-Q224 HydrophobicContact CB-CG 4.27Å; D221-Q224 PolarHBondContact O-N 2.94Å; D221-Q224 PolarHBondContact OD2-NE2 2.92Å; R222-Q224 PolarHBondContact O-N 3.4Å; R222-Q224 VanDerWaalsContact O-N 3.16Å; Q224-K226 PolarHBondContact O-N 3.1Å; Q224-K226 PolarHBondContact O-NZ 3.36Å
225	Q	98.1	Very high	97.8	Very high	25 Å²	25	47.7 Å²	47.7	12%	0.117	24%	0.244	C	C	.	.			trans	-44.6	129.9	-175.7	63.8	-175.9	5.8	0	0	113	R222 D233	R222-Q225 WeakPolarHBondContact O-CB 3.4Å; R222-Q225 PolarHBondContact O-N 3.44Å; R222-Q225 VanDerWaalsContact O-N 3.12Å; Q225-D233 PolarHBondContact NE2-OD2 2.84Å
226	K	98.7	Very high	97.5	Very high	31 Å²	31	53.5 Å²	53.5	14%	0.135	27%	0.273	C	S	.	.			trans	-105.8	-3.6	-178	-69.1	-72.3	170.2	-75.1	0	113.5	N211 L216 P218 Q224 N248 W251 V252	N211-K226 PolarHBondContact ND2-O 3.34Å; L216-K226 PolarHBondContact O-N 3.29Å; P218-K226 HydrophobicContact CG-CG 3.7Å; Q224-K226 PolarHBondContact O-N 3.1Å; Q224-K226 PolarHBondContact O-NZ 3.36Å; K226-N248 HydrophobicContact CD-CB 4.23Å; K226-W251 HydrophobicContact CB-CE3 4.08Å; K226-W251 HydrophobicContact CB-CZ3 4.42Å; K226-W251 HydrophobicContact CD-CB 4.06Å; K226-W251 HydrophobicContact CD-CD2 3.73Å; K226-W251 HydrophobicContact CD-CE3 3.83Å; K226-W251 HydrophobicContact CD-CG 3.83Å; K226-W251 HydrophobicContact CG-CD2 4.01Å; K226-W251 HydrophobicContact CG-CE3 3.63Å; K226-W251 HydrophobicContact CG-CZ3 3.97Å; K226-V252 HydrophobicContact CB-CG2 3.77Å
227	D	98.6	Very high	97.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-92.3	179.1	-179.1	66	-94.5	0	0	0	113.4	W214 R215 L216 Q229 S230	W214-D227 VanDerWaalsContact O-CB 3.25Å; W214-D227 WeakPolarHBondContact O-CB 3.38Å; R215-D227 VanDerWaalsContact CA-OD1 3.31Å; R215-D227 WeakPolarHBondContact CA-OD1 3.37Å; L216-D227 PolarHBondContact N-OD1 3.38Å; D227-Q229 PolarHBondContact O-N 3.02Å; D227-Q229 VanDerWaalsContact O-N 3.09Å; D227-Q229 WeakPolarHBondContact OD2-CA 3.27Å; D227-Q229 WeakPolarHBondContact OD2-CB 3.36Å; D227-Q229 PolarHBondContact OD2-N 2.93Å; D227-S230 WeakPolarHBondContact O-CB 3.43Å; D227-S230 PolarHBondContact O-N 3.44Å; D227-S230 VanDerWaalsContact O-N 3.09Å; D227-S230 PolarHBondContact O-OG 3.41Å
228	K	98.3	Very high	97.2	Very high	13 Å²	13	57.6 Å²	57.6	6%	0.057	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.5	-179.9	-173.5	167.4	-177.4	-179.5	0	115.3	I39 T40 N211 D212 S230 Y231 R232 F249	I39-K228 HydrophobicContact CD1-CG 4.46Å; T40-K228 WeakPolarHBondContact O-CE 3.5Å; T40-K228 PolarHBondContact O-NZ 3.17Å; N211-K228 WeakPolarHBondContact O-CB 3.39Å; N211-K228 PolarHBondContact O-N 3.22Å; N211-K228 VanDerWaalsContact O-N 3.07Å; D212-K228 HydrophobicContact CB-CD 3.49Å; D212-K228 VanDerWaalsContact CB-CD 3.49Å; D212-K228 WeakPolarHBondContact OD1-CD 3.44Å; D212-K228 WeakPolarHBondContact OD2-CD 3.43Å; D212-K228 IonicContact OD2-NZ 2.75Å; D212-K228 PolarHBondContact OD2-NZ 3.46Å; K228-S230 PolarHBondContact O-N 3.49Å; K228-Y231 WeakPolarHBondContact O-CB 3.18Å; K228-Y231 PolarHBondContact O-N 3.15Å; K228-R232 PolarHBondContact O-N 3.09Å; K228-R232 VanDerWaalsContact O-N 3.1Å; K228-F249 HydrophobicContact CB-CE2 4.4Å; K228-F249 HydrophobicContact CB-CZ 4.01Å; K228-F249 HydrophobicContact CG-CZ 4.49Å
229	Q	98.1	Very high	97.1	Very high	24 Å²	24	61.4 Å²	61.4	11%	0.112	32%	0.324	C	S	.	.	H	α-helix	trans	-56.2	-31.1	172	-167.6	65.7	54.9	0	0	111.3	D227 Y231 R232 D233	D227-Q229 PolarHBondContact O-N 3.02Å; D227-Q229 VanDerWaalsContact O-N 3.09Å; D227-Q229 WeakPolarHBondContact OD2-CA 3.27Å; D227-Q229 WeakPolarHBondContact OD2-CB 3.36Å; D227-Q229 PolarHBondContact OD2-N 2.93Å; Q229-Y231 VanDerWaalsContact C-N 3.26Å; Q229-Y231 PolarHBondContact O-N 3.3Å; Q229-R232 PolarHBondContact O-N 3.47Å; Q229-R232 VanDerWaalsContact O-N 3.08Å; Q229-D233 PolarHBondContact NE2-OD1 3.3Å; Q229-D233 WeakPolarHBondContact O-CB 3.39Å; Q229-D233 VanDerWaalsContact O-CG 3.24Å; Q229-D233 PolarHBondContact O-N 3.11Å
230	S	97	Very high	97.1	Very high	7 Å²	7	64.3 Å²	64.3	5%	0.049	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-35.5	172	60.9	0	0	0	0	113.9	D227 K228 N248	D227-S230 WeakPolarHBondContact O-CB 3.43Å; D227-S230 PolarHBondContact O-N 3.44Å; D227-S230 VanDerWaalsContact O-N 3.09Å; D227-S230 PolarHBondContact O-OG 3.41Å; K228-S230 PolarHBondContact O-N 3.49Å; S230-N248 WeakPolarHBondContact CB-ND2 3.31Å; S230-N248 PolarHBondContact OG-ND2 3.21Å
231	Y	97.9	Very high	97.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-79	-35.9	173.8	174.7	-108.9	0	0	0	112.8	I39 A41 R46 N48 K228 Q229 D233 L234 V237 L242 V245	I39-Y231 HydrophobicContact CD1-CD1 3.84Å; I39-Y231 HydrophobicContact CD1-CD2 4.23Å; I39-Y231 HydrophobicContact CD1-CE1 4.33Å; I39-Y231 HydrophobicContact CD1-CG 3.75Å; I39-Y231 HydrophobicContact CG1-CD1 3.95Å; I39-Y231 HydrophobicContact CG1-CE1 4.03Å; I39-Y231 HydrophobicContact CG1-CG 4.35Å; I39-Y231 HydrophobicContact CG2-CE1 4.33Å; I39-Y231 HydrophobicContact CG2-CE2 4.14Å; A41-Y231 HydrophobicContact CB-CD1 4.05Å; A41-Y231 HydrophobicContact CB-CE1 3.76Å; R46-Y231 HydrophobicContact CG-CE1 4.35Å; R46-Y231 WeakPolarHBondContact CG-OH 3.2Å; R46-Y231 PolarHBondContact NH1-O 2.78Å; N48-Y231 PolarHBondContact OD1-OH 2.99Å; K228-Y231 WeakPolarHBondContact O-CB 3.18Å; K228-Y231 PolarHBondContact O-N 3.15Å; Q229-Y231 VanDerWaalsContact C-N 3.26Å; Q229-Y231 PolarHBondContact O-N 3.3Å; Y231-D233 VanDerWaalsContact C-N 3.31Å; Y231-D233 PolarHBondContact O-N 3.38Å; Y231-L234 HydrophobicContact CD2-CD1 4.2Å; Y231-V237 HydrophobicContact CE2-CG1 4.09Å; Y231-V237 HydrophobicContact CE2-CG2 4.1Å; Y231-L242 HydrophobicContact CD2-CD2 4.06Å; Y231-L242 HydrophobicContact CE2-CD2 3.74Å; Y231-V245 HydrophobicContact CD2-CG2 4.26Å
232	R	96.4	Very high	97	Very high	92 Å²	92	61.4 Å²	61.4	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-35.3	177.5	-63.4	-178.4	-173.1	109.5	-2	111.7	A41 D212 K228 Q229 L234	A41-R232 HydrophobicContact CB-CG 4.2Å; D212-R232 PolarHBondContact O-NH2 3.16Å; K228-R232 PolarHBondContact O-N 3.09Å; K228-R232 VanDerWaalsContact O-N 3.1Å; Q229-R232 PolarHBondContact O-N 3.47Å; Q229-R232 VanDerWaalsContact O-N 3.08Å; R232-L234 VanDerWaalsContact C-N 3.34Å
233	D	96.7	Very high	97	Very high	73 Å²	73	61.7 Å²	61.7	39%	0.39	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-12.7	-176.3	-68.7	-13.4	0	0	0	113.9	Q225 Q229 Y231 K235	Q225-D233 PolarHBondContact NE2-OD2 2.84Å; Q229-D233 PolarHBondContact NE2-OD1 3.3Å; Q229-D233 WeakPolarHBondContact O-CB 3.39Å; Q229-D233 VanDerWaalsContact O-CG 3.24Å; Q229-D233 PolarHBondContact O-N 3.11Å; Y231-D233 VanDerWaalsContact C-N 3.31Å; Y231-D233 PolarHBondContact O-N 3.38Å; D233-K235 PolarHBondContact O-N 3.43Å
234	L	95.6	Very high	97	Very high	31 Å²	31	61.1 Å²	61.1	16%	0.162	30%	0.301	C	S	.	.			trans	-59.9	122.3	174.5	-68.6	177.7	0	0	0	110.1	R46 Y231 R232 M244 V245	R46-L234 VanDerWaalsContact CZ-O 3.3Å; R46-L234 PolarHBondContact NH1-O 3.32Å; R46-L234 PolarHBondContact NH2-O 2.88Å; Y231-L234 HydrophobicContact CD2-CD1 4.2Å; R232-L234 VanDerWaalsContact C-N 3.34Å; L234-M244 HydrophobicContact CD2-CE 4.1Å; L234-V245 HydrophobicContact CD1-CG2 4.23Å
235	K	94.3	Very high	97	Very high	205 Å²	205	57.2 Å²	57.2	89%	0.891	28%	0.282	S	S	*	.	S	Bend	trans	-62.1	-49.2	172.7	-65.4	-176	-178.6	-179.9	0	110.3	R46 D233	R46-K235 PolarHBondContact NH2-O 2.83Å; D233-K235 PolarHBondContact O-N 3.43Å
236	E	94.3	Very high	97	Very high	155 Å²	155	57.8 Å²	57.8	72%	0.724	29%	0.285	S	S	*	.	S	Bend	trans	-127.2	143.9	174.4	-65.8	-176.8	178.1	0	0	109.8	T238	E236-T238 PolarHBondContact O-N 3.44Å
237	V	95.3	Very high	97	Very high	45 Å²	45	63 Å²	63	27%	0.273	31%	0.307	S	S	.	.			trans	-93	97.2	179.4	-174.4	0	0	0	0	109.1	R46 Y231 L242	R46-V237 HydrophobicContact CG-CG2 4.14Å; Y231-V237 HydrophobicContact CE2-CG1 4.09Å; Y231-V237 HydrophobicContact CE2-CG2 4.1Å; V237-L242 HydrophobicContact CG1-CD1 3.9Å; V237-L242 HydrophobicContact CG1-CD2 3.83Å; V237-L242 HydrophobicContact CG1-CG 3.62Å
238	T	96.4	Very high	97	Very high	53 Å²	53	64 Å²	64	33%	0.325	31%	0.312	S	S	.	.			trans	-95.5	162.9	172.7	81.2	0	0	0	0	111.1	E236 E240 G241 L242	E236-T238 PolarHBondContact O-N 3.44Å; T238-E240 VanDerWaalsContact C-N 3.26Å; T238-E240 WeakPolarHBondContact CB-OE2 3.3Å; T238-E240 PolarHBondContact O-N 3.33Å; T238-E240 PolarHBondContact OG1-N 2.97Å; T238-E240 PolarHBondContact OG1-OE2 3.44Å; T238-G241 PolarHBondContact O-N 2.84Å; T238-G241 PolarHBondContact OG1-N 3.47Å; T238-G241 VanDerWaalsContact OG1-N 3.13Å; T238-L242 PolarHBondContact O-N 3.4Å
239	P	96.6	Very high	97	Very high	91 Å²	91	63.4 Å²	63.4	59%	0.591	31%	0.31	S	S	*	.	H	α-helix	trans	-53.9	-41.7	172	-26.6	36.4	0	0	0	113	L242 Q243	P239-L242 PolarHBondContact O-N 3Å; P239-Q243 WeakPolarHBondContact O-CG 3.47Å; P239-Q243 PolarHBondContact O-N 3.4Å
240	E	96.6	Very high	97.1	Very high	133 Å²	133	65.7 Å²	65.7	62%	0.621	32%	0.321	S	S	*	.	H	α-helix	trans	-65.7	-41.7	178.5	-58.1	69.4	-148.5	0	0	111.2	T238 L242 Q243 M244	T238-E240 VanDerWaalsContact C-N 3.26Å; T238-E240 WeakPolarHBondContact CB-OE2 3.3Å; T238-E240 PolarHBondContact O-N 3.33Å; T238-E240 PolarHBondContact OG1-N 2.97Å; T238-E240 PolarHBondContact OG1-OE2 3.44Å; E240-L242 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 3.25Å; E240-Q243 PolarHBondContact O-N 3.2Å; E240-M244 PolarHBondContact O-N 3.44Å
241	G	97.5	Very high	97.2	Very high	10 Å²	10	68 Å²	68	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-41.1	174.2	0	0	0	0	0	112.4	T238 M244 V245	T238-G241 PolarHBondContact O-N 2.84Å; T238-G241 PolarHBondContact OG1-N 3.47Å; T238-G241 VanDerWaalsContact OG1-N 3.13Å; G241-M244 WeakPolarHBondContact O-CB 3.27Å; G241-M244 PolarHBondContact O-N 2.9Å; G241-V245 WeakPolarHBondContact O-CG2 3.48Å; G241-V245 PolarHBondContact O-N 2.88Å; G241-V245 VanDerWaalsContact O-N 3.08Å
242	L	97.2	Very high	97.2	Very high	23 Å²	23	68 Å²	68	12%	0.12	33%	0.328	C	S	.	.	H	α-helix	trans	-66.2	-36.6	174.5	-77	174.8	0	0	0	112.7	N48 L50 Y231 V237 T238 P239 E240 V245 K246	N48-L242 HydrophobicContact CB-CD1 4.04Å; N48-L242 HydrophobicContact CB-CD2 4.13Å; L50-L242 HydrophobicContact CD1-CB 4.49Å; Y231-L242 HydrophobicContact CD2-CD2 4.06Å; Y231-L242 HydrophobicContact CE2-CD2 3.74Å; V237-L242 HydrophobicContact CG1-CD1 3.9Å; V237-L242 HydrophobicContact CG1-CD2 3.83Å; V237-L242 HydrophobicContact CG1-CG 3.62Å; T238-L242 PolarHBondContact O-N 3.4Å; P239-L242 PolarHBondContact O-N 3Å; E240-L242 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 3.25Å; L242-V245 PolarHBondContact O-N 2.91Å; L242-K246 PolarHBondContact O-N 3.38Å
243	Q	97.7	Very high	97.3	Very high	103 Å²	103	64 Å²	64	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-38.7	174.6	-69.4	-58.5	-28.8	0	0	112.2	P239 E240 V245 K246 K247	P239-Q243 WeakPolarHBondContact O-CG 3.47Å; P239-Q243 PolarHBondContact O-N 3.4Å; E240-Q243 PolarHBondContact O-N 3.2Å; Q243-V245 VanDerWaalsContact C-N 3.35Å; Q243-K246 PolarHBondContact O-N 2.88Å; Q243-K247 WeakPolarHBondContact O-CG 3.43Å; Q243-K247 PolarHBondContact O-N 3.43Å
244	M	98.1	Very high	97.4	Very high	87 Å²	87	66.3 Å²	66.3	43%	0.429	32%	0.323	S	S	.	.	H	α-helix	trans	-59.9	-45.8	171.9	-179.6	-161.6	70.1	0	0	111.2	L234 E240 G241 K246 K247 N248	L234-M244 HydrophobicContact CD2-CE 4.1Å; E240-M244 PolarHBondContact O-N 3.44Å; G241-M244 WeakPolarHBondContact O-CB 3.27Å; G241-M244 PolarHBondContact O-N 2.9Å; M244-K246 PolarHBondContact O-N 3.49Å; M244-K247 PolarHBondContact O-N 3.12Å; M244-N248 PolarHBondContact O-N 3.47Å; M244-N248 VanDerWaalsContact O-N 3.09Å
245	V	98.3	Very high	97.5	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-44.6	176.1	171.5	0	0	0	0	110.8	I39 L50 Y231 L234 G241 L242 Q243 K247 N248 F249	I39-V245 HydrophobicContact CD1-CG1 3.86Å; L50-V245 HydrophobicContact CD2-CG1 4.5Å; Y231-V245 HydrophobicContact CD2-CG2 4.26Å; L234-V245 HydrophobicContact CD1-CG2 4.23Å; G241-V245 WeakPolarHBondContact O-CG2 3.48Å; G241-V245 PolarHBondContact O-N 2.88Å; G241-V245 VanDerWaalsContact O-N 3.08Å; L242-V245 PolarHBondContact O-N 2.91Å; Q243-V245 VanDerWaalsContact C-N 3.35Å; V245-K247 PolarHBondContact O-N 3.32Å; V245-N248 WeakPolarHBondContact O-CB 3.5Å; V245-N248 PolarHBondContact O-N 3.21Å; V245-N248 VanDerWaalsContact O-N 3.16Å; V245-F249 HydrophobicContact CG1-CD2 3.99Å; V245-F249 HydrophobicContact CG1-CE2 3.88Å; V245-F249 VanDerWaalsContact O-CD2 3.24Å; V245-F249 WeakPolarHBondContact O-CD2 3.38Å; V245-F249 PolarHBondContact O-N 3.34Å; V245-F249 VanDerWaalsContact O-N 3.08Å
246	K	98.3	Very high	97.7	Very high	38 Å²	38	58.2 Å²	58.2	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-48.2	177	-169.8	173.5	171.9	164.6	0	111.7	L50 E51 L242 Q243 M244 N248 F249 E250	L50-K246 HydrophobicContact CD1-CB 4.16Å; L50-K246 HydrophobicContact CD1-CD 4.45Å; E51-K246 WeakPolarHBondContact O-CE 3.47Å; E51-K246 PolarHBondContact O-NZ 3Å; L242-K246 PolarHBondContact O-N 3.38Å; Q243-K246 PolarHBondContact O-N 2.88Å; M244-K246 PolarHBondContact O-N 3.49Å; K246-N248 VanDerWaalsContact C-N 3.28Å; K246-N248 PolarHBondContact O-N 3.02Å; K246-F249 WeakPolarHBondContact O-CA 3.34Å; K246-F249 WeakPolarHBondContact O-CB 3.5Å; K246-F249 PolarHBondContact O-N 3.45Å; K246-E250 WeakPolarHBondContact CE-OE1 3.47Å; K246-E250 HydrophobicContact CG-CG 4.39Å; K246-E250 WeakPolarHBondContact O-CG 3.32Å; K246-E250 PolarHBondContact O-N 3.27Å
247	K	98.6	Very high	97.9	Very high	139 Å²	139	55.2 Å²	55.2	60%	0.604	27%	0.271	S	S	*	.	H	α-helix	trans	-59.1	-37.8	177	-73.2	179	-179.8	-179.1	0	112.8	Q243 M244 V245 F249 W251	Q243-K247 WeakPolarHBondContact O-CG 3.43Å; Q243-K247 PolarHBondContact O-N 3.43Å; M244-K247 PolarHBondContact O-N 3.12Å; V245-K247 PolarHBondContact O-N 3.32Å; K247-F249 VanDerWaalsContact C-N 3.34Å; K247-W251 VanDerWaalsContact O-CB 3.3Å; K247-W251 WeakPolarHBondContact O-CB 3.49Å; K247-W251 PolarHBondContact O-N 3.39Å
248	N	98.6	Very high	98	Very high	21 Å²	21	56.6 Å²	56.6	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-41.7	174.3	-73.8	-21.5	0	0	0	111.7	K226 S230 M244 V245 K246 W251 V252	K226-N248 HydrophobicContact CD-CB 4.23Å; S230-N248 WeakPolarHBondContact CB-ND2 3.31Å; S230-N248 PolarHBondContact OG-ND2 3.21Å; M244-N248 PolarHBondContact O-N 3.47Å; M244-N248 VanDerWaalsContact O-N 3.09Å; V245-N248 WeakPolarHBondContact O-CB 3.5Å; V245-N248 PolarHBondContact O-N 3.21Å; V245-N248 VanDerWaalsContact O-N 3.16Å; K246-N248 VanDerWaalsContact C-N 3.28Å; K246-N248 PolarHBondContact O-N 3.02Å; N248-W251 PolarHBondContact O-N 3.17Å; N248-V252 WeakPolarHBondContact O-CG2 3.28Å; N248-V252 PolarHBondContact O-N 3.17Å
249	F	98.6	Very high	98.2	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-68.2	-42.6	177.2	-85.8	-114.3	0	0	0	112.5	I39 K53 I56 N211 D212 K228 V245 K246 K247 W251 V252 A253	I39-F249 HydrophobicContact CD1-CE2 4.44Å; I39-F249 HydrophobicContact CD1-CZ 4.24Å; K53-F249 HydrophobicContact CD-CD1 3.66Å; K53-F249 HydrophobicContact CD-CE1 3.64Å; I56-F249 HydrophobicContact CD1-CB 4.23Å; I56-F249 HydrophobicContact CG2-CB 4.13Å; I56-F249 HydrophobicContact CG2-CD1 4.19Å; N211-F249 HydrophobicContact CB-CD1 3.79Å; N211-F249 HydrophobicContact CB-CE1 3.56Å; N211-F249 HydrophobicContact CB-CG 4.38Å; N211-F249 HydrophobicContact CB-CZ 4Å; N211-F249 VanDerWaalsContact ND2-CD2 3.33Å; N211-F249 WeakPolarHBondContact ND2-CD2 3.42Å; N211-F249 WeakPolarHBondContact ND2-CG 3.24Å; D212-F249 VanDerWaalsContact OD1-CE1 3.28Å; D212-F249 WeakPolarHBondContact OD1-CE1 3.33Å; D212-F249 WeakPolarHBondContact OD1-CZ 3.44Å; K228-F249 HydrophobicContact CB-CE2 4.4Å; K228-F249 HydrophobicContact CB-CZ 4.01Å; K228-F249 HydrophobicContact CG-CZ 4.49Å; V245-F249 HydrophobicContact CG1-CD2 3.99Å; V245-F249 HydrophobicContact CG1-CE2 3.88Å; V245-F249 VanDerWaalsContact O-CD2 3.24Å; V245-F249 WeakPolarHBondContact O-CD2 3.38Å; V245-F249 PolarHBondContact O-N 3.34Å; V245-F249 VanDerWaalsContact O-N 3.08Å; K246-F249 WeakPolarHBondContact O-CA 3.34Å; K246-F249 WeakPolarHBondContact O-CB 3.5Å; K246-F249 PolarHBondContact O-N 3.45Å; K247-F249 VanDerWaalsContact C-N 3.34Å; F249-W251 VanDerWaalsContact C-N 3.34Å; F249-V252 PolarHBondContact O-N 3.34Å; F249-A253 WeakPolarHBondContact O-CB 3.26Å; F249-A253 PolarHBondContact O-N 3.23Å
250	E	98.7	Very high	98.2	Very high	72 Å²	72	51.5 Å²	51.5	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-44.2	174.2	-72.1	169	163.7	0	0	111.1	I56 K246 V252 A253 E254	I56-E250 HydrophobicContact CD1-CG 3.82Å; K246-E250 WeakPolarHBondContact CE-OE1 3.47Å; K246-E250 HydrophobicContact CG-CG 4.39Å; K246-E250 WeakPolarHBondContact O-CG 3.32Å; K246-E250 PolarHBondContact O-N 3.27Å; E250-V252 VanDerWaalsContact C-N 3.26Å; E250-V252 PolarHBondContact O-N 3.04Å; E250-A253 WeakPolarHBondContact O-CB 3.49Å; E250-A253 PolarHBondContact O-N 3.5Å; E250-E254 WeakPolarHBondContact O-CG 3.29Å; E250-E254 PolarHBondContact O-N 2.87Å
251	W	98.8	Very high	98.3	Very high	56 Å²	56	51.8 Å²	51.8	21%	0.212	24%	0.241	C	C	.	.	H	α-helix	trans	-56.3	-40.1	177.4	-174.7	99	0	0	0	112.7	C185 P218 K226 K247 N248 F249 R255	C185-W251 VanDerWaalsContact SG-CH2 3.57Å; P218-W251 HydrophobicContact CG-CH2 4.21Å; P218-W251 HydrophobicContact CG-CZ2 4.5Å; K226-W251 HydrophobicContact CB-CE3 4.08Å; K226-W251 HydrophobicContact CB-CZ3 4.42Å; K226-W251 HydrophobicContact CD-CB 4.06Å; K226-W251 HydrophobicContact CD-CD2 3.73Å; K226-W251 HydrophobicContact CD-CE3 3.83Å; K226-W251 HydrophobicContact CD-CG 3.83Å; K226-W251 HydrophobicContact CG-CD2 4.01Å; K226-W251 HydrophobicContact CG-CE3 3.63Å; K226-W251 HydrophobicContact CG-CZ3 3.97Å; K247-W251 VanDerWaalsContact O-CB 3.3Å; K247-W251 WeakPolarHBondContact O-CB 3.49Å; K247-W251 PolarHBondContact O-N 3.39Å; N248-W251 PolarHBondContact O-N 3.17Å; F249-W251 VanDerWaalsContact C-N 3.34Å; W251-R255 VanDerWaalsContact CZ2-CD 3.43Å; W251-R255 WeakPolarHBondContact O-CD 3.45Å; W251-R255 PolarHBondContact O-NH1 2.89Å
252	V	98.8	Very high	98.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-71.6	-42.6	175.7	176.7	0	0	0	0	110.6	I60 W180 W214 L216 K226 N248 F249 E250 E254 R255 V256	I60-V252 HydrophobicContact CD1-CB 4.33Å; I60-V252 HydrophobicContact CD1-CG1 3.77Å; I60-V252 HydrophobicContact CG1-CG1 4.34Å; W180-V252 HydrophobicContact CH2-CG1 4.04Å; W180-V252 HydrophobicContact CZ2-CG1 4.16Å; W214-V252 HydrophobicContact CZ2-CG1 3.89Å; L216-V252 HydrophobicContact CD2-CG2 4.28Å; K226-V252 HydrophobicContact CB-CG2 3.77Å; N248-V252 WeakPolarHBondContact O-CG2 3.28Å; N248-V252 PolarHBondContact O-N 3.17Å; F249-V252 PolarHBondContact O-N 3.34Å; E250-V252 VanDerWaalsContact C-N 3.26Å; E250-V252 PolarHBondContact O-N 3.04Å; V252-E254 VanDerWaalsContact C-N 3.28Å; V252-E254 PolarHBondContact O-N 3.13Å; V252-R255 PolarHBondContact O-N 3.22Å; V252-R255 VanDerWaalsContact O-N 3.07Å; V252-V256 PolarHBondContact O-N 2.89Å
253	A	98.4	Very high	97.8	Very high	8 Å²	8	57.6 Å²	57.6	7%	0.066	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-31.9	179.1	0	0	0	0	0	113.5	I56 K59 F249 E250 R255	I56-A253 HydrophobicContact CB-CB 4.44Å; I56-A253 HydrophobicContact CG1-CB 4.18Å; I56-A253 HydrophobicContact CG2-CB 3.89Å; K59-A253 HydrophobicContact CD-CB 4.47Å; K59-A253 WeakPolarHBondContact CE-O 3.21Å; K59-A253 PolarHBondContact NZ-O 3.34Å; F249-A253 WeakPolarHBondContact O-CB 3.26Å; F249-A253 PolarHBondContact O-N 3.23Å; E250-A253 WeakPolarHBondContact O-CB 3.49Å; E250-A253 PolarHBondContact O-N 3.5Å; A253-R255 VanDerWaalsContact C-N 3.33Å
254	E	98.2	Very high	97.7	Very high	121 Å²	121	54.2 Å²	54.2	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-67.4	-33	173.3	-74.1	171.3	179.4	0	0	112.5	E250 V252	E250-E254 WeakPolarHBondContact O-CG 3.29Å; E250-E254 PolarHBondContact O-N 2.87Å; V252-E254 VanDerWaalsContact C-N 3.28Å; V252-E254 PolarHBondContact O-N 3.13Å
255	R	98.6	Very high	97.7	Very high	66 Å²	66	56.1 Å²	56.1	25%	0.249	27%	0.268	C	S	.	.	H	α-helix	trans	-100.3	-24	-170.4	-73.6	163.8	-176.6	68	6.4	114.1	W180 W251 V252 A253 E257 L258	W180-R255 HydrophobicContact CH2-CB 4.44Å; W180-R255 HydrophobicContact CZ3-CB 4.21Å; W251-R255 VanDerWaalsContact CZ2-CD 3.43Å; W251-R255 WeakPolarHBondContact O-CD 3.45Å; W251-R255 PolarHBondContact O-NH1 2.89Å; V252-R255 PolarHBondContact O-N 3.22Å; V252-R255 VanDerWaalsContact O-N 3.07Å; A253-R255 VanDerWaalsContact C-N 3.33Å; R255-E257 PolarHBondContact O-N 3.02Å; R255-E257 VanDerWaalsContact O-N 3.17Å; R255-L258 HydrophobicContact CB-CD1 4.4Å; R255-L258 HydrophobicContact CG-CD1 4.26Å; R255-L258 WeakPolarHBondContact O-CB 3.35Å; R255-L258 WeakPolarHBondContact O-CG 3.45Å; R255-L258 PolarHBondContact O-N 3.5Å
256	V	98.6	Very high	97.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-59.3	-31.3	-174.3	70.9	0	0	0	0	113.2	I60 C63 I64 W180 V252 L258 L259	I60-V256 HydrophobicContact CG1-CB 4.43Å; I60-V256 HydrophobicContact CG1-CG1 4.09Å; I60-V256 HydrophobicContact CG2-CG2 4.18Å; C63-V256 HydrophobicContact CB-CG1 4.12Å; C63-V256 HydrophobicContact CB-CG2 3.84Å; I64-V256 HydrophobicContact CD1-CG2 3.84Å; I64-V256 HydrophobicContact CG1-CG2 3.97Å; W180-V256 HydrophobicContact CH2-CB 4.45Å; W180-V256 HydrophobicContact CZ2-CG2 4.4Å; V252-V256 PolarHBondContact O-N 2.89Å; V256-L258 PolarHBondContact O-N 3.27Å; V256-L259 WeakPolarHBondContact O-CB 3.32Å; V256-L259 PolarHBondContact O-N 3.05Å
257	E	98.2	Very high	97.7	Very high	91 Å²	91	55.6 Å²	55.6	43%	0.425	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-68.9	-22.2	175.7	-77.5	172	163.2	0	0	113	K59 C63 R255 L259 L260	K59-E257 WeakPolarHBondContact CE-OE1 3.27Å; K59-E257 VanDerWaalsContact CE-OE2 3.32Å; K59-E257 WeakPolarHBondContact CE-OE2 3.33Å; K59-E257 VanDerWaalsContact NZ-CD 3.27Å; K59-E257 IonicContact NZ-OE1 3.67Å; K59-E257 PolarHBondContact NZ-OE1 3.36Å; K59-E257 IonicContact NZ-OE2 3.13Å; K59-E257 PolarHBondContact NZ-OE2 2.78Å; C63-E257 WeakPolarHBondContact SG-CG 3.41Å; R255-E257 PolarHBondContact O-N 3.02Å; R255-E257 VanDerWaalsContact O-N 3.17Å; E257-L259 PolarHBondContact O-N 3.22Å; E257-L260 WeakPolarHBondContact O-CB 3.1Å; E257-L260 PolarHBondContact O-N 2.99Å; E257-L260 VanDerWaalsContact O-N 3.11Å
258	L	98.4	Very high	97.8	Very high	75 Å²	75	49 Å²	49	39%	0.393	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-68.6	-21.4	176.4	-55.2	175.2	0	0	0	111.8	Q183 R255 V256 L260 K261	Q183-L258 VanDerWaalsContact OE1-CD1 3.31Å; R255-L258 HydrophobicContact CB-CD1 4.4Å; R255-L258 HydrophobicContact CG-CD1 4.26Å; R255-L258 WeakPolarHBondContact O-CB 3.35Å; R255-L258 WeakPolarHBondContact O-CG 3.45Å; R255-L258 PolarHBondContact O-N 3.5Å; V256-L258 PolarHBondContact O-N 3.27Å; L258-L260 PolarHBondContact O-N 3.4Å; L258-K261 WeakPolarHBondContact O-CB 3.14Å; L258-K261 PolarHBondContact O-N 2.85Å; L258-K261 VanDerWaalsContact O-N 3.09Å
259	L	98.6	Very high	97.8	Very high	2 Å²	2	48 Å²	48	1%	0.01	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-69.5	-12.6	172.9	-82.1	59.7	0	0	0	112.6	I64 L67 S179 W180 Q183 V256 E257 K261 H396	I64-L259 HydrophobicContact CD1-CD2 4Å; L67-L259 HydrophobicContact CD2-CB 4.19Å; L67-L259 HydrophobicContact CD2-CD2 4.29Å; S179-L259 WeakPolarHBondContact O-CG 3.26Å; W180-L259 HydrophobicContact CD2-CD1 4.08Å; W180-L259 HydrophobicContact CD2-CD2 3.94Å; W180-L259 HydrophobicContact CE3-CD1 3.88Å; W180-L259 HydrophobicContact CG-CD2 4.15Å; W180-L259 HydrophobicContact CH2-CD1 4.2Å; W180-L259 HydrophobicContact CZ2-CD1 4.4Å; W180-L259 HydrophobicContact CZ2-CD2 4.12Å; W180-L259 HydrophobicContact CZ3-CD1 3.94Å; Q183-L259 HydrophobicContact CG-CD1 3.94Å; V256-L259 WeakPolarHBondContact O-CB 3.32Å; V256-L259 PolarHBondContact O-N 3.05Å; E257-L259 PolarHBondContact O-N 3.22Å; L259-K261 VanDerWaalsContact C-N 3.33Å; L259-H396 PolarHBondContact O-NE2 3.43Å
260	L	98.4	Very high	97.8	Very high	35 Å²	35	47.9 Å²	47.9	18%	0.183	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-92	2.5	172.9	-61.4	173.4	0	0	0	112.1	C63 Q66 L67 E257 L258	C63-L260 HydrophobicContact CB-CD1 4.35Å; Q66-L260 HydrophobicContact CB-CD2 4.38Å; Q66-L260 HydrophobicContact CG-CD2 4.17Å; L67-L260 HydrophobicContact CB-CD2 3.74Å; L67-L260 HydrophobicContact CD1-CD2 4.47Å; E257-L260 WeakPolarHBondContact O-CB 3.1Å; E257-L260 PolarHBondContact O-N 2.99Å; E257-L260 VanDerWaalsContact O-N 3.11Å; L258-L260 PolarHBondContact O-N 3.4Å
261	K	97.6	Very high	97.8	Very high	139 Å²	139	44.5 Å²	44.5	60%	0.604	22%	0.217	S	C	*	.	S	Bend	trans	-106.9	128.2	-175.8	-60	-59.8	-178.9	-173.5	0	110.6	L258 L259 E263 H396	L258-K261 WeakPolarHBondContact O-CB 3.14Å; L258-K261 PolarHBondContact O-N 2.85Å; L258-K261 VanDerWaalsContact O-N 3.09Å; L259-K261 VanDerWaalsContact C-N 3.33Å; K261-E263 PolarHBondContact O-N 2.91Å; K261-H396 PolarHBondContact O-CE1 2.89Å; K261-H396 VanDerWaalsContact O-CE1 3.24Å
262	S	94.5	Very high	97.8	Very high	67 Å²	67	42 Å²	42	47%	0.469	21%	0.208	S	C	.	.			trans	-64.4	125.4	170.8	-159.6	0	0	0	0	110.3	S264 N395	S262-S264 PolarHBondContact OG-O 2.91Å; S262-N395 PolarHBondContact OG-ND2 3.17Å
263	E	90.5	Very high	97.8	Very high	88 Å²	88	42.7 Å²	42.7	41%	0.411	22%	0.215	S	C	.	.	S	Bend	trans	-79.7	-21.5	175.8	71.5	-83.7	-143.3	0	0	112.8	K261 N394 N395 H396	K261-E263 PolarHBondContact O-N 2.91Å; E263-N394 WeakPolarHBondContact CG-O 3.48Å; E263-N395 VanDerWaalsContact OE1-CA 3.29Å; E263-N395 WeakPolarHBondContact OE1-CA 3.28Å; E263-H396 VanDerWaalsContact CD-ND1 3.3Å; E263-H396 IonicContact OE1-CG 2.67Å; E263-H396 PolarHBondContact OE1-N 2.85Å; E263-H396 IonicContact OE1-ND1 2.93Å; E263-H396 PolarHBondContact OE1-ND1 2.83Å; E263-H396 IonicContact OE2-CE1 3.48Å; E263-H396 PolarHBondContact OE2-CE1 2.94Å; E263-H396 IonicContact OE2-CG 3.4Å; E263-H396 IonicContact OE2-ND1 3.73Å; E263-H396 PolarHBondContact OE2-ND1 3.16Å
264	S	95.3	Very high	97.7	Very high	32 Å²	32	44.3 Å²	44.3	22%	0.224	23%	0.225	C	C	.	.	S	Bend	trans	-136.8	150	-179.3	61.9	0	0	0	0	111.4	S262 N394 N395	S262-S264 PolarHBondContact OG-O 2.91Å; S264-N394 PolarHBondContact OG-O 3Å; S264-N395 PolarHBondContact O-ND2 3.02Å; S264-N395 VanDerWaalsContact O-ND2 3.16Å; S264-N395 PolarHBondContact OG-ND2 3.45Å
265	Q	98.1	Very high	97.7	Very high	127 Å²	127	43.2 Å²	43.2	59%	0.593	23%	0.227	S	C	*	.			trans	-82.1	153.6	168.9	-66.2	-178.2	-54.4	0	0	110.1	I321	Q265-I321 HydrophobicContact CB-CG2 4.22Å
266	C	98.4	Very high	97.6	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.088	25%	0.245	C	C	.	.			trans	-139.4	144.6	177.7	-53.9	0	0	0	0	109.3	I293 P294 F391	C266-I293 HydrophobicContact CB-CG2 4.18Å; C266-P294 WeakPolarHBondContact O-CD 3.47Å; C266-F391 HydrophobicContact CB-CB 4.33Å; C266-F391 HydrophobicContact CB-CD1 3.71Å; C266-F391 HydrophobicContact CB-CD2 3.98Å; C266-F391 HydrophobicContact CB-CE1 3.95Å; C266-F391 HydrophobicContact CB-CE2 4.19Å; C266-F391 HydrophobicContact CB-CG 3.74Å; C266-F391 HydrophobicContact CB-CZ 4.19Å
267	R	98.9	Very high	97.6	Very high	13 Å²	13	45.7 Å²	45.7	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	138.8	173.1	179.6	171.9	55.4	-162.5	-3.1	111.8	V269 E296 Y316 D319 I321 P322 T323 V324 F391	R267-V269 HydrophobicContact CG-CG2 4.06Å; R267-E296 WeakPolarHBondContact CD-OE1 3.14Å; R267-E296 IonicContact NH1-OE1 3.25Å; R267-Y316 VanDerWaalsContact CZ-CD1 3.47Å; R267-Y316 PolarHBondContact NH2-O 3.44Å; R267-D319 IonicContact CZ-OD1 3.91Å; R267-D319 IonicContact CZ-OD2 3.9Å; R267-D319 VanDerWaalsContact CZ-OD2 3.25Å; R267-D319 IonicContact NH1-OD1 3.71Å; R267-D319 IonicContact NH1-OD2 3.69Å; R267-D319 PolarHBondContact NH1-OD2 2.95Å; R267-D319 IonicContact NH2-OD1 3.98Å; R267-D319 PolarHBondContact NH2-OD1 2.95Å; R267-D319 IonicContact NH2-OD2 2.72Å; R267-D319 PolarHBondContact NH2-OD2 3.43Å; R267-I321 HydrophobicContact CB-CG2 3.83Å; R267-P322 PolarHBondContact N-O 2.73Å; R267-T323 PolarHBondContact NE-OG1 3.04Å; R267-T323 PolarHBondContact NH2-OG1 3.46Å; R267-T323 VanDerWaalsContact NH2-OG1 3.13Å; R267-T323 WeakPolarHBondContact O-CA 3.4Å; R267-V324 PolarHBondContact O-N 2.72Å; R267-F391 WeakPolarHBondContact O-CZ 3.49Å
268	V	98.9	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.3	164.2	174.2	0	0	0	0	109.2	V270 I293 P294 C295 E296 V324 V326 A387 F391	V268-V270 HydrophobicContact CG1-CG2 4.06Å; V268-I293 HydrophobicContact CG2-CG2 3.93Å; V268-P294 PolarHBondContact N-O 3.31Å; V268-C295 HydrophobicContact CB-CB 4.3Å; V268-C295 VanDerWaalsContact O-CA 3.29Å; V268-C295 WeakPolarHBondContact O-CA 3.46Å; V268-E296 PolarHBondContact O-N 2.72Å; V268-V324 WeakPolarHBondContact CA-O 3.13Å; V268-V326 HydrophobicContact CG1-CG2 3.83Å; V268-A387 HydrophobicContact CG2-CB 3.75Å; V268-F391 HydrophobicContact CG2-CE2 4.07Å
269	V	98.9	Very high	97.6	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.3	171.1	178.1	0	0	0	0	108.4	R267 L271 E296 R298 Y316 T323 V324 F325 V326	R267-V269 HydrophobicContact CG-CG2 4.06Å; V269-L271 HydrophobicContact CG1-CD2 3.63Å; V269-L271 HydrophobicContact CG1-CG 4.23Å; V269-E296 WeakPolarHBondContact CA-O 3.47Å; V269-R298 HydrophobicContact CG1-CG 4.32Å; V269-Y316 HydrophobicContact CB-CD2 4.47Å; V269-Y316 HydrophobicContact CB-CE2 4.34Å; V269-Y316 HydrophobicContact CG1-CD2 3.91Å; V269-Y316 HydrophobicContact CG1-CE2 3.46Å; V269-Y316 VanDerWaalsContact CG1-CE2 3.46Å; V269-Y316 HydrophobicContact CG2-CD1 3.76Å; V269-Y316 HydrophobicContact CG2-CD2 4.01Å; V269-Y316 HydrophobicContact CG2-CE1 3.73Å; V269-Y316 HydrophobicContact CG2-CE2 3.98Å; V269-Y316 HydrophobicContact CG2-CG 3.86Å; V269-T323 HydrophobicContact CB-CG2 4.22Å; V269-T323 HydrophobicContact CG2-CG2 3.67Å; V269-V324 PolarHBondContact N-O 3.05Å; V269-F325 HydrophobicContact CB-CD1 3.76Å; V269-F325 HydrophobicContact CB-CE1 3.93Å; V269-F325 HydrophobicContact CG1-CD1 4.06Å; V269-F325 HydrophobicContact CG1-CE1 4.12Å; V269-F325 HydrophobicContact CG2-CE1 4.33Å; V269-F325 WeakPolarHBondContact O-CA 3.33Å; V269-V326 PolarHBondContact O-N 3.34Å
270	V	98.9	Very high	97.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.1	176.4	-173.6	0	0	0	0	108.7	V268 C281 I284 E296 L297 R298 V326 V328	V268-V270 HydrophobicContact CG1-CG2 4.06Å; V270-C281 HydrophobicContact CG1-CB 3.93Å; V270-I284 HydrophobicContact CG1-CD1 4.22Å; V270-I284 HydrophobicContact CG2-CB 4.27Å; V270-I284 HydrophobicContact CG2-CG2 3.79Å; V270-E296 PolarHBondContact N-O 2.71Å; V270-L297 HydrophobicContact CB-CD2 3.58Å; V270-L297 HydrophobicContact CG1-CD2 4.2Å; V270-L297 HydrophobicContact CG2-CD2 3.83Å; V270-R298 PolarHBondContact O-N 3.16Å; V270-V326 CarbonylContact C-O 3.54Å; V270-V326 WeakPolarHBondContact CA-O 3.45Å; V270-V326 HydrophobicContact CG2-CB 4.29Å; V270-V328 HydrophobicContact CG1-CG2 3.68Å
271	L	98.9	Very high	97.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.9	177.2	-56.9	-178.3	0	0	0	108.8	V269 R298 T300 I312 F325 V326 V328 L335 M339	V269-L271 HydrophobicContact CG1-CD2 3.63Å; V269-L271 HydrophobicContact CG1-CG 4.23Å; L271-R298 HydrophobicContact CD2-CB 3.76Å; L271-R298 HydrophobicContact CD2-CG 4.26Å; L271-T300 HydrophobicContact CB-CG2 4.32Å; L271-T300 HydrophobicContact CD1-CG2 4.48Å; L271-T300 HydrophobicContact CD2-CG2 4.35Å; L271-I312 HydrophobicContact CD2-CG2 4.27Å; L271-F325 HydrophobicContact CD1-CD1 4.18Å; L271-F325 HydrophobicContact CG-CD1 4.47Å; L271-V326 PolarHBondContact N-O 3.27Å; L271-V328 PolarHBondContact O-N 2.93Å; L271-L335 HydrophobicContact CB-CD2 4Å; L271-L335 VanDerWaalsContact O-CD2 3.27Å; L271-L335 WeakPolarHBondContact O-CD2 3.35Å; L271-M339 HydrophobicContact CD1-CE 3.5Å; L271-M339 VanDerWaalsContact CD1-CE 3.5Å; L271-M339 HydrophobicContact CD1-CG 3.9Å; L271-M339 HydrophobicContact CD1-SD 3.57Å; L271-M339 VanDerWaalsContact CD1-SD 3.57Å
272	M	98.8	Very high	97.7	Very high	4 Å²	4	41 Å²	41	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.5	177.5	74.7	-172.7	78.4	0	0	112.4	S274 L278 C281 L297 R298 V299 T300 V328	M272-S274 VanDerWaalsContact C-N 3.25Å; M272-S274 WeakPolarHBondContact CG-O 3.29Å; M272-S274 PolarHBondContact O-N 3.27Å; M272-L278 HydrophobicContact CE-CD1 3.92Å; M272-L278 HydrophobicContact SD-CB 4.28Å; M272-L278 HydrophobicContact SD-CD1 4.41Å; M272-C281 HydrophobicContact CE-CB 3.62Å; M272-C281 VanDerWaalsContact CE-SG 3.54Å; M272-L297 HydrophobicContact CE-CB 4.12Å; M272-L297 HydrophobicContact CE-CD1 4.44Å; M272-R298 PolarHBondContact N-O 3.1Å; M272-V299 HydrophobicContact CG-CB 4.37Å; M272-V299 HydrophobicContact CG-CG1 4.47Å; M272-V299 HydrophobicContact CG-CG2 3.86Å; M272-V299 WeakPolarHBondContact O-CA 3.47Å; M272-V299 HydrophobicContact SD-CG2 4.09Å; M272-T300 CarbonylContact C-O 3.58Å; M272-T300 PolarHBondContact O-N 2.82Å; M272-T300 VanDerWaalsContact O-O 3.07Å; M272-V328 VanDerWaalsContact CA-O 3.32Å; M272-V328 WeakPolarHBondContact CA-O 3.37Å; M272-V328 HydrophobicContact CB-CB 4.4Å
273	G	97.8	Very high	97.9	Very high	14 Å²	14	43 Å²	43	14%	0.144	25%	0.246	C	C	.	.	S	Bend	trans	-69.7	-21	177.9	0	0	0	0	0	114.6	T300 V328	G273-T300 WeakPolarHBondContact CA-O 3.44Å; G273-V328 PolarHBondContact N-O 3.45Å
274	S	97.6	Very high	98.3	Very high	41 Å²	41	38.9 Å²	38.9	29%	0.287	23%	0.226	S	C	.	.			trans	-153.3	144.3	-175	-179.2	0	0	0	0	110.4	M272 S276 D277	M272-S274 VanDerWaalsContact C-N 3.25Å; M272-S274 WeakPolarHBondContact CG-O 3.29Å; M272-S274 PolarHBondContact O-N 3.27Å; S274-S276 WeakPolarHBondContact CB-OG 3.36Å; S274-S276 PolarHBondContact O-N 2.99Å; S274-S276 PolarHBondContact OG-N 3.36Å; S274-S276 PolarHBondContact OG-OG 3.06Å; S274-D277 PolarHBondContact O-N 3.4Å
275	T	97.7	Very high	98.5	Very high	98 Å²	98	41.4 Å²	41.4	60%	0.601	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-67.4	-16.8	173.5	49.8	0	0	0	0	113.1	D277 L278 V299	T275-D277 PolarHBondContact O-N 3.17Å; T275-L278 VanDerWaalsContact O-CB 3.24Å; T275-L278 WeakPolarHBondContact O-CB 3.33Å; T275-L278 PolarHBondContact O-N 3.46Å; T275-V299 HydrophobicContact CG2-CG1 4.32Å; T275-V299 HydrophobicContact CG2-CG2 3.96Å
276	S	97.8	Very high	98.5	Very high	90 Å²	90	43 Å²	43	63%	0.629	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-58.1	-25.8	170.8	58.2	0	0	0	0	113	S274 L278	S274-S276 WeakPolarHBondContact CB-OG 3.36Å; S274-S276 PolarHBondContact O-N 2.99Å; S274-S276 PolarHBondContact OG-N 3.36Å; S274-S276 PolarHBondContact OG-OG 3.06Å; S276-L278 VanDerWaalsContact C-N 3.34Å
277	D	98	Very high	98.5	Very high	30 Å²	30	42.7 Å²	42.7	16%	0.16	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-92	3.5	-175.8	-53.6	-29	0	0	0	112.3	S274 T275 G279 H280 C281 V328 P352	S274-D277 PolarHBondContact O-N 3.4Å; T275-D277 PolarHBondContact O-N 3.17Å; D277-G279 VanDerWaalsContact C-N 3.27Å; D277-G279 PolarHBondContact O-N 2.9Å; D277-H280 WeakPolarHBondContact O-CA 3.48Å; D277-H280 WeakPolarHBondContact O-CB 3.42Å; D277-H280 PolarHBondContact O-N 2.95Å; D277-C281 PolarHBondContact O-N 2.79Å; D277-C281 VanDerWaalsContact O-N 3.14Å; D277-C281 PolarHBondContact O-SG 3.31Å; D277-V328 HydrophobicContact CB-CG1 3.98Å; D277-P352 HydrophobicContact CB-CG 4.38Å
278	L	98.5	Very high	98.5	Very high	77 Å²	77	42 Å²	42	40%	0.403	24%	0.235	S	C	.	.	H	α-helix	trans	-53.3	-41.9	-176.8	177.3	62.2	0	0	0	112.8	M272 T275 S276 H280 C281 E282 L297	M272-L278 HydrophobicContact CE-CD1 3.92Å; M272-L278 HydrophobicContact SD-CB 4.28Å; M272-L278 HydrophobicContact SD-CD1 4.41Å; T275-L278 VanDerWaalsContact O-CB 3.24Å; T275-L278 WeakPolarHBondContact O-CB 3.33Å; T275-L278 PolarHBondContact O-N 3.46Å; S276-L278 VanDerWaalsContact C-N 3.34Å; L278-H280 PolarHBondContact O-N 3.37Å; L278-C281 PolarHBondContact O-N 2.89Å; L278-C281 VanDerWaalsContact O-N 3.14Å; L278-E282 HydrophobicContact CD1-CG 4.13Å; L278-E282 HydrophobicContact CG-CG 4.35Å; L278-E282 WeakPolarHBondContact O-CG 3.46Å; L278-E282 PolarHBondContact O-N 2.66Å; L278-L297 HydrophobicContact CD1-CD1 4.02Å
279	G	98.4	Very high	98.5	Very high	53 Å²	53	44.4 Å²	44.4	55%	0.546	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-30.1	178.6	0	0	0	0	0	113.6	D277	D277-G279 VanDerWaalsContact C-N 3.27Å; D277-G279 PolarHBondContact O-N 2.9Å
280	H	98.8	Very high	98.5	Very high	31 Å²	31	49.9 Å²	49.9	14%	0.144	29%	0.288	C	S	.	.	H	α-helix	trans	-74.3	-44	173.2	-173.3	98.9	0	0	0	110.7	D277 L278 E282 K283 I284 C350 P352	D277-H280 WeakPolarHBondContact O-CA 3.48Å; D277-H280 WeakPolarHBondContact O-CB 3.42Å; D277-H280 PolarHBondContact O-N 2.95Å; L278-H280 PolarHBondContact O-N 3.37Å; H280-E282 VanDerWaalsContact C-N 3.35Å; H280-E282 PolarHBondContact O-N 2.68Å; H280-K283 WeakPolarHBondContact O-CB 3.33Å; H280-K283 PolarHBondContact O-N 3.31Å; H280-I284 PolarHBondContact O-N 3.44Å; H280-C350 PolarHBondContact NE2-SG 2.91Å; H280-C350 VanDerWaalsContact NE2-SG 3.38Å; H280-P352 HydrophobicContact CB-CB 4.22Å
281	C	98.8	Very high	98.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-37	177.8	-60.6	0	0	0	0	113.4	V270 M272 D277 L278 K283 I284 K285 L297	V270-C281 HydrophobicContact CG1-CB 3.93Å; M272-C281 HydrophobicContact CE-CB 3.62Å; M272-C281 VanDerWaalsContact CE-SG 3.54Å; D277-C281 PolarHBondContact O-N 2.79Å; D277-C281 VanDerWaalsContact O-N 3.14Å; D277-C281 PolarHBondContact O-SG 3.31Å; L278-C281 PolarHBondContact O-N 2.89Å; L278-C281 VanDerWaalsContact O-N 3.14Å; C281-K283 VanDerWaalsContact C-N 3.27Å; C281-K283 PolarHBondContact O-N 3.3Å; C281-I284 WeakPolarHBondContact O-CB 3.33Å; C281-I284 PolarHBondContact O-N 3.29Å; C281-I284 VanDerWaalsContact O-N 3.16Å; C281-K285 PolarHBondContact O-N 3.33Å; C281-L297 HydrophobicContact CB-CD1 4.37Å; C281-L297 HydrophobicContact CB-CD2 4.04Å
282	E	98.8	Very high	98.4	Very high	83 Å²	83	53.4 Å²	53.4	39%	0.388	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-30.7	176.5	-75	-64.3	170.7	0	0	112.6	L278 H280 K285 K286 L297	L278-E282 HydrophobicContact CD1-CG 4.13Å; L278-E282 HydrophobicContact CG-CG 4.35Å; L278-E282 WeakPolarHBondContact O-CG 3.46Å; L278-E282 PolarHBondContact O-N 2.66Å; H280-E282 VanDerWaalsContact C-N 3.35Å; H280-E282 PolarHBondContact O-N 2.68Å; E282-K285 PolarHBondContact O-N 3.08Å; E282-K286 VanDerWaalsContact O-CB 3.3Å; E282-K286 WeakPolarHBondContact O-CB 3.28Å; E282-K286 PolarHBondContact O-N 3.34Å; E282-L297 HydrophobicContact CG-CD1 4.35Å; E282-L297 WeakPolarHBondContact OE1-CD1 3.49Å
283	K	98.9	Very high	98.4	Very high	109 Å²	109	53.5 Å²	53.5	47%	0.474	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-43.3	172	-66.2	177.4	-178.1	-177.6	0	111.4	H280 C281 K286 A287 P380	H280-K283 WeakPolarHBondContact O-CB 3.33Å; H280-K283 PolarHBondContact O-N 3.31Å; C281-K283 VanDerWaalsContact C-N 3.27Å; C281-K283 PolarHBondContact O-N 3.3Å; K283-K286 PolarHBondContact O-N 3.11Å; K283-A287 WeakPolarHBondContact O-CB 3.06Å; K283-A287 PolarHBondContact O-N 3.44Å; K283-P380 HydrophobicContact CB-CB 3.89Å; K283-P380 HydrophobicContact CB-CG 4.08Å; K283-P380 HydrophobicContact CD-CG 3.95Å
284	I	98.9	Very high	98.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-50.1	176.3	-56.5	170.9	0	0	0	109.6	V270 H280 C281 K286 A287 C288 V326 V328 C350 P380 A384	V270-I284 HydrophobicContact CG1-CD1 4.22Å; V270-I284 HydrophobicContact CG2-CB 4.27Å; V270-I284 HydrophobicContact CG2-CG2 3.79Å; H280-I284 PolarHBondContact O-N 3.44Å; C281-I284 WeakPolarHBondContact O-CB 3.33Å; C281-I284 PolarHBondContact O-N 3.29Å; C281-I284 VanDerWaalsContact O-N 3.16Å; I284-K286 PolarHBondContact O-N 3.09Å; I284-A287 PolarHBondContact O-N 3.33Å; I284-C288 PolarHBondContact O-N 3.48Å; I284-C288 PolarHBondContact O-SG 3.46Å; I284-C288 VanDerWaalsContact O-SG 3.33Å; I284-V326 HydrophobicContact CD1-CG1 3.94Å; I284-V328 HydrophobicContact CD1-CG2 3.73Å; I284-C350 HydrophobicContact CD1-CB 4.27Å; I284-P380 HydrophobicContact CD1-CB 4.41Å; I284-P380 HydrophobicContact CG1-CB 3.58Å; I284-A384 HydrophobicContact CG2-CB 4.35Å
285	K	98.9	Very high	98.5	Very high	85 Å²	85	55.5 Å²	55.5	37%	0.37	33%	0.329	S	S	.	.	H	α-helix	trans	-58.1	-46.6	178.5	-178.3	177.2	-177	-176.9	0	112.8	C281 E282 A287 C288 G289 C295 L297	C281-K285 PolarHBondContact O-N 3.33Å; E282-K285 PolarHBondContact O-N 3.08Å; K285-A287 VanDerWaalsContact C-N 3.33Å; K285-A287 PolarHBondContact O-N 2.99Å; K285-C288 WeakPolarHBondContact O-CB 3.42Å; K285-C288 PolarHBondContact O-N 3.2Å; K285-G289 PolarHBondContact O-N 2.9Å; K285-G289 VanDerWaalsContact O-N 3.12Å; K285-C295 HydrophobicContact CB-CB 4.38Å; K285-C295 WeakPolarHBondContact CE-O 3.44Å; K285-C295 HydrophobicContact CG-CB 4.01Å; K285-L297 HydrophobicContact CB-CD2 4.18Å; K285-L297 HydrophobicContact CD-CD1 4.04Å; K285-L297 HydrophobicContact CD-CD2 4.36Å; K285-L297 HydrophobicContact CD-CG 4.01Å
286	K	98.8	Very high	98.6	Very high	160 Å²	160	54.5 Å²	54.5	70%	0.696	32%	0.318	S	S	*	.	H	α-helix	trans	-59.9	-44.7	176.1	-176.2	179.6	179	-178.2	0	111.4	E282 K283 I284 G289 N290	E282-K286 VanDerWaalsContact O-CB 3.3Å; E282-K286 WeakPolarHBondContact O-CB 3.28Å; E282-K286 PolarHBondContact O-N 3.34Å; K283-K286 PolarHBondContact O-N 3.11Å; I284-K286 PolarHBondContact O-N 3.09Å; K286-G289 PolarHBondContact O-N 3.24Å; K286-N290 PolarHBondContact O-N 3.33Å
287	A	98.7	Very high	98.7	Very high	7 Å²	7	52.1 Å²	52.1	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-37.6	178.7	0	0	0	0	0	112.6	K283 I284 K285 G289 N290 F291 E381 A384	K283-A287 WeakPolarHBondContact O-CB 3.06Å; K283-A287 PolarHBondContact O-N 3.44Å; I284-A287 PolarHBondContact O-N 3.33Å; K285-A287 VanDerWaalsContact C-N 3.33Å; K285-A287 PolarHBondContact O-N 2.99Å; A287-G289 VanDerWaalsContact C-N 3.27Å; A287-G289 PolarHBondContact O-N 2.75Å; A287-N290 WeakPolarHBondContact O-CB 3.49Å; A287-N290 PolarHBondContact O-N 3.4Å; A287-F291 VanDerWaalsContact O-CD2 3.24Å; A287-F291 WeakPolarHBondContact O-CD2 3.4Å; A287-E381 HydrophobicContact CB-CB 4.32Å; A287-E381 HydrophobicContact CB-CG 4.37Å; A287-A384 HydrophobicContact CB-CB 3.48Å; A287-A384 VanDerWaalsContact CB-CB 3.48Å
288	C	98.8	Very high	98.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.7	-39.7	170.9	-68.4	0	0	0	0	112	I284 K285 N290 F291 G292 I293 C295	I284-C288 PolarHBondContact O-N 3.48Å; I284-C288 PolarHBondContact O-SG 3.46Å; I284-C288 VanDerWaalsContact O-SG 3.33Å; K285-C288 WeakPolarHBondContact O-CB 3.42Å; K285-C288 PolarHBondContact O-N 3.2Å; C288-N290 VanDerWaalsContact C-N 3.29Å; C288-N290 PolarHBondContact O-N 3.24Å; C288-F291 CarbonylContact O-C 3.54Å; C288-F291 PolarHBondContact O-N 3.46Å; C288-G292 PolarHBondContact O-N 3.16Å; C288-I293 HydrophobicContact CB-CB 4.36Å; C288-I293 PolarHBondContact O-N 2.79Å; C288-C295 HydrophobicContact CB-CB 3.69Å
289	G	98.4	Very high	98.7	Very high	50 Å²	50	53.8 Å²	53.8	52%	0.515	31%	0.305	S	S	.	.	H	α-helix	trans	-58.3	-37.1	176.1	0	0	0	0	0	113.6	K285 K286 A287 F291 G292	K285-G289 PolarHBondContact O-N 2.9Å; K285-G289 VanDerWaalsContact O-N 3.12Å; K286-G289 PolarHBondContact O-N 3.24Å; A287-G289 VanDerWaalsContact C-N 3.27Å; A287-G289 PolarHBondContact O-N 2.75Å; G289-F291 PolarHBondContact O-N 2.85Å; G289-G292 PolarHBondContact O-N 3.49Å
290	N	98.1	Very high	98.7	Very high	114 Å²	114	51.7 Å²	51.7	61%	0.61	28%	0.281	S	S	*	.	H	α-helix	trans	-62	-27.8	176.3	-62.9	-21	0	0	0	112.6	K286 A287 C288	K286-N290 PolarHBondContact O-N 3.33Å; A287-N290 WeakPolarHBondContact O-CB 3.49Å; A287-N290 PolarHBondContact O-N 3.4Å; C288-N290 VanDerWaalsContact C-N 3.29Å; C288-N290 PolarHBondContact O-N 3.24Å
291	F	98.6	Very high	98.7	Very high	22 Å²	22	51.2 Å²	51.2	10%	0.096	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	2.1	175.9	-61.4	-67.6	0	0	0	113.3	A287 C288 G289 I293 Q385 A388 K401 L402	A287-F291 VanDerWaalsContact O-CD2 3.24Å; A287-F291 WeakPolarHBondContact O-CD2 3.4Å; C288-F291 CarbonylContact O-C 3.54Å; C288-F291 PolarHBondContact O-N 3.46Å; G289-F291 PolarHBondContact O-N 2.85Å; F291-I293 VanDerWaalsContact C-N 3.3Å; F291-I293 HydrophobicContact CB-CD1 3.76Å; F291-I293 HydrophobicContact CB-CG1 4.09Å; F291-Q385 HydrophobicContact CE2-CB 4.15Å; F291-Q385 HydrophobicContact CE2-CG 4.49Å; F291-Q385 HydrophobicContact CZ-CB 4.22Å; F291-Q385 HydrophobicContact CZ-CG 4.08Å; F291-A388 HydrophobicContact CB-CB 3.94Å; F291-A388 HydrophobicContact CD1-CB 4.03Å; F291-A388 HydrophobicContact CD2-CB 3.76Å; F291-A388 HydrophobicContact CE2-CB 4.28Å; F291-A388 HydrophobicContact CG-CB 3.62Å; F291-K401 HydrophobicContact CD1-CB 4.17Å; F291-K401 WeakPolarHBondContact O-CD 3.41Å; F291-L402 HydrophobicContact CD1-CD2 4.17Å; F291-L402 HydrophobicContact CD1-CG 4.27Å; F291-L402 HydrophobicContact CE1-CD2 3.58Å; F291-L402 HydrophobicContact CE1-CG 4.08Å; F291-L402 HydrophobicContact CZ-CD2 4.04Å
292	G	98.2	Very high	98.7	Very high	54 Å²	54	51.7 Å²	51.7	56%	0.557	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	23.4	-177.1	0	0	0	0	0	113.9	C288 G289	C288-G292 PolarHBondContact O-N 3.16Å; G289-G292 PolarHBondContact O-N 3.49Å
293	I	98.8	Very high	98.6	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.026	30%	0.295	C	S	.	.			trans	-100.3	120.6	-177	-58.9	164.1	0	0	0	109.5	C266 V268 C288 F291 C295 A388 F391 V398	C266-I293 HydrophobicContact CB-CG2 4.18Å; V268-I293 HydrophobicContact CG2-CG2 3.93Å; C288-I293 HydrophobicContact CB-CB 4.36Å; C288-I293 PolarHBondContact O-N 2.79Å; F291-I293 VanDerWaalsContact C-N 3.3Å; F291-I293 HydrophobicContact CB-CD1 3.76Å; F291-I293 HydrophobicContact CB-CG1 4.09Å; I293-C295 PolarHBondContact O-N 2.67Å; I293-A388 HydrophobicContact CD1-CB 3.61Å; I293-F391 HydrophobicContact CD1-CD2 4.06Å; I293-F391 HydrophobicContact CG2-CD2 4.32Å; I293-F391 HydrophobicContact CG2-CE2 4.25Å; I293-V398 HydrophobicContact CD1-CG1 4.03Å; I293-V398 HydrophobicContact CD1-CG2 4.38Å; I293-V398 HydrophobicContact CG1-CG2 4.02Å
294	P	98.8	Very high	98.5	Very high	80 Å²	80	56.7 Å²	56.7	52%	0.519	31%	0.308	S	S	.	.			trans	-53.7	133	170.1	-25.7	33.4	0	0	0	111.9	C266 V268	C266-P294 WeakPolarHBondContact O-CD 3.47Å; V268-P294 PolarHBondContact N-O 3.31Å
295	C	98.9	Very high	98.5	Very high	17 Å²	17	57.4 Å²	57.4	12%	0.115	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.1	-177.7	-177.6	0	0	0	0	111.9	V268 K285 C288 I293	V268-C295 HydrophobicContact CB-CB 4.3Å; V268-C295 VanDerWaalsContact O-CA 3.29Å; V268-C295 WeakPolarHBondContact O-CA 3.46Å; K285-C295 HydrophobicContact CB-CB 4.38Å; K285-C295 WeakPolarHBondContact CE-O 3.44Å; K285-C295 HydrophobicContact CG-CB 4.01Å; C288-C295 HydrophobicContact CB-CB 3.69Å; I293-C295 PolarHBondContact O-N 2.67Å
296	E	98.9	Very high	98.4	Very high	78 Å²	78	56.2 Å²	56.2	36%	0.364	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.1	-177.9	-63	-175.1	-129.4	0	0	110.6	R267 V268 V269 V270 Y316	R267-E296 WeakPolarHBondContact CD-OE1 3.14Å; R267-E296 IonicContact NH1-OE1 3.25Å; V268-E296 PolarHBondContact O-N 2.72Å; V269-E296 WeakPolarHBondContact CA-O 3.47Å; V270-E296 PolarHBondContact N-O 2.71Å; E296-Y316 PolarHBondContact OE2-OH 2.93Å
297	L	98.9	Very high	98.4	Very high	39 Å²	39	54.1 Å²	54.1	20%	0.204	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.6	178.1	-54.9	-174.7	0	0	0	109.4	V270 M272 L278 C281 E282 K285	V270-L297 HydrophobicContact CB-CD2 3.58Å; V270-L297 HydrophobicContact CG1-CD2 4.2Å; V270-L297 HydrophobicContact CG2-CD2 3.83Å; M272-L297 HydrophobicContact CE-CB 4.12Å; M272-L297 HydrophobicContact CE-CD1 4.44Å; L278-L297 HydrophobicContact CD1-CD1 4.02Å; C281-L297 HydrophobicContact CB-CD1 4.37Å; C281-L297 HydrophobicContact CB-CD2 4.04Å; E282-L297 HydrophobicContact CG-CD1 4.35Å; E282-L297 WeakPolarHBondContact OE1-CD1 3.49Å; K285-L297 HydrophobicContact CB-CD2 4.18Å; K285-L297 HydrophobicContact CD-CD1 4.04Å; K285-L297 HydrophobicContact CD-CD2 4.36Å; K285-L297 HydrophobicContact CD-CG 4.01Å
298	R	98.8	Very high	98.4	Very high	64 Å²	64	57.1 Å²	57.1	24%	0.242	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.2	175.2	-54.2	-67.6	-70	-83.2	-1.8	110.6	V269 V270 L271 M272 I312 E315 Y316	V269-R298 HydrophobicContact CG1-CG 4.32Å; V270-R298 PolarHBondContact O-N 3.16Å; L271-R298 HydrophobicContact CD2-CB 3.76Å; L271-R298 HydrophobicContact CD2-CG 4.26Å; M272-R298 PolarHBondContact N-O 3.1Å; R298-I312 HydrophobicContact CG-CG2 4.4Å; R298-E315 IonicContact CZ-OE2 2.95Å; R298-E315 IonicContact NH1-OE2 3.66Å; R298-E315 PolarHBondContact NH1-OE2 3.27Å; R298-E315 IonicContact NH2-OE1 3.08Å; R298-E315 IonicContact NH2-OE2 4Å; R298-E315 PolarHBondContact NH2-OE2 3.47Å; R298-Y316 VanDerWaalsContact CD-OH 3.24Å; R298-Y316 WeakPolarHBondContact CD-OH 3.45Å; R298-Y316 HydrophobicContact CG-CE2 4.07Å; R298-Y316 WeakPolarHBondContact CG-OH 3.47Å; R298-Y316 VanDerWaalsContact NH1-CZ 3.31Å; R298-Y316 PolarHBondContact NH1-OH 2.86Å
299	V	98.8	Very high	98.4	Very high	79 Å²	79	57.1 Å²	57.1	48%	0.479	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.9	176.5	-175.3	0	0	0	0	108.5	M272 T275	M272-V299 HydrophobicContact CG-CB 4.37Å; M272-V299 HydrophobicContact CG-CG1 4.47Å; M272-V299 HydrophobicContact CG-CG2 3.86Å; M272-V299 WeakPolarHBondContact O-CA 3.47Å; M272-V299 HydrophobicContact SD-CG2 4.09Å; T275-V299 HydrophobicContact CG2-CG1 4.32Å; T275-V299 HydrophobicContact CG2-CG2 3.96Å
300	T	98.8	Very high	98.4	Very high	9 Å²	9	57.8 Å²	57.8	6%	0.055	32%	0.317	C	S	.	.			trans	-160.5	149.3	175.3	-168.7	0	0	0	0	110.6	L271 M272 G273 T309 I312 L335	L271-T300 HydrophobicContact CB-CG2 4.32Å; L271-T300 HydrophobicContact CD1-CG2 4.48Å; L271-T300 HydrophobicContact CD2-CG2 4.35Å; M272-T300 CarbonylContact C-O 3.58Å; M272-T300 PolarHBondContact O-N 2.82Å; M272-T300 VanDerWaalsContact O-O 3.07Å; G273-T300 WeakPolarHBondContact CA-O 3.44Å; T300-T309 HydrophobicContact CG2-CG2 4.03Å; T300-T309 WeakPolarHBondContact OG1-CA 3.38Å; T300-T309 PolarHBondContact OG1-N 2.73Å; T300-T309 PolarHBondContact OG1-OG1 3.29Å; T300-I312 HydrophobicContact CG2-CD1 4.49Å; T300-L335 HydrophobicContact CG2-CD1 4.21Å
301	S	98.5	Very high	98.4	Very high	20 Å²	20	57.8 Å²	57.8	14%	0.14	31%	0.308	C	S	.	.			trans	-128.8	116	-173.6	-178.3	0	0	0	0	111.1	H303 K304 G305	S301-H303 PolarHBondContact O-N 3.45Å; S301-H303 VanDerWaalsContact O-N 3.1Å; S301-K304 PolarHBondContact O-N 2.79Å; S301-K304 VanDerWaalsContact OG-CE 3.28Å; S301-K304 WeakPolarHBondContact OG-CE 3.24Å; S301-K304 PolarHBondContact OG-N 3.44Å; S301-G305 CarbonylContact O-C 3.17Å; S301-G305 WeakPolarHBondContact O-CA 3.35Å; S301-G305 PolarHBondContact O-N 3.42Å
302	A	98	Very high	98.4	Very high	11 Å²	11	57 Å²	57	9%	0.091	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.2	176	0	0	0	0	0	114	P306 L335 V338	A302-P306 WeakPolarHBondContact O-CB 3.41Å; A302-L335 HydrophobicContact CB-CB 4.42Å; A302-L335 HydrophobicContact CB-CD1 4.28Å; A302-V338 HydrophobicContact CB-CB 3.98Å; A302-V338 HydrophobicContact CB-CG1 4.27Å; A302-V338 HydrophobicContact CB-CG2 3.97Å
303	H	97.8	Very high	98.5	Very high	126 Å²	126	55.4 Å²	55.4	58%	0.583	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-31.3	177.7	-59.6	155.1	0	0	0	113.6	S301 S332	S301-H303 PolarHBondContact O-N 3.45Å; S301-H303 VanDerWaalsContact O-N 3.1Å; H303-S332 PolarHBondContact CE1-O 2.65Å; H303-S332 VanDerWaalsContact CE1-O 3.27Å
304	K	97.1	Very high	98.5	Very high	170 Å²	170	57.5 Å²	57.5	74%	0.739	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-15	-172	-62	176.3	-69	178.1	0	113.8	S301	S301-K304 PolarHBondContact O-N 2.79Å; S301-K304 VanDerWaalsContact OG-CE 3.28Å; S301-K304 WeakPolarHBondContact OG-CE 3.24Å; S301-K304 PolarHBondContact OG-N 3.44Å
305	G	97.2	Very high	98.5	Very high	15 Å²	15	57.2 Å²	57.2	16%	0.155	29%	0.292	C	S	.	.			trans	-160.8	61.9	179.7	0	0	0	0	0	111.2	S301 D307 E308 T309	S301-G305 CarbonylContact O-C 3.17Å; S301-G305 WeakPolarHBondContact O-CA 3.35Å; S301-G305 PolarHBondContact O-N 3.42Å; G305-D307 VanDerWaalsContact C-N 3.28Å; G305-D307 PolarHBondContact O-N 3.36Å; G305-E308 PolarHBondContact O-N 2.94Å; G305-T309 PolarHBondContact O-N 2.99Å; G305-T309 PolarHBondContact O-OG1 3.1Å
306	P	97.8	Very high	98.5	Very high	60 Å²	60	56.7 Å²	56.7	39%	0.39	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-34.7	179.7	24.2	-32.6	0	0	0	112.8	A302 T309 L310	A302-P306 WeakPolarHBondContact O-CB 3.41Å; P306-T309 WeakPolarHBondContact O-CB 3.42Å; P306-T309 PolarHBondContact O-N 2.84Å; P306-L310 WeakPolarHBondContact O-CG 3.43Å; P306-L310 PolarHBondContact O-N 3.04Å
307	D	98.2	Very high	98.5	Very high	117 Å²	117	55.7 Å²	55.7	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-59.6	-48	174.8	59.2	-44.3	0	0	0	111.9	G305 T309 L310 R311	G305-D307 VanDerWaalsContact C-N 3.28Å; G305-D307 PolarHBondContact O-N 3.36Å; D307-T309 VanDerWaalsContact C-N 3.32Å; D307-T309 PolarHBondContact O-N 3.45Å; D307-L310 PolarHBondContact O-N 3.37Å; D307-R311 WeakPolarHBondContact O-CB 3.45Å; D307-R311 PolarHBondContact O-N 3.23Å
308	E	98.6	Very high	98.4	Very high	70 Å²	70	57.2 Å²	57.2	33%	0.327	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-34.7	175.9	-177.9	59.4	-164.7	0	0	111.8	G305 L310 R311 I312	G305-E308 PolarHBondContact O-N 2.94Å; E308-L310 VanDerWaalsContact C-N 3.34Å; E308-L310 PolarHBondContact O-N 2.75Å; E308-R311 PolarHBondContact O-N 2.87Å; E308-R311 IonicContact OE1-CZ 3.25Å; E308-R311 IonicContact OE1-NE 2.73Å; E308-R311 PolarHBondContact OE1-NE 3.22Å; E308-R311 IonicContact OE1-NH2 2.75Å; E308-R311 PolarHBondContact OE1-NH2 2.67Å; E308-R311 IonicContact OE2-CZ 2.63Å; E308-R311 IonicContact OE2-NE 2.82Å; E308-R311 PolarHBondContact OE2-NE 3.09Å; E308-R311 IonicContact OE2-NH2 3.24Å; E308-I312 HydrophobicContact CG-CD1 3.91Å; E308-I312 HydrophobicContact CG-CG1 4.32Å; E308-I312 WeakPolarHBondContact O-CB 3.49Å; E308-I312 VanDerWaalsContact O-CG1 3.31Å; E308-I312 WeakPolarHBondContact O-CG1 3.24Å; E308-I312 PolarHBondContact O-N 2.77Å; E308-I312 WeakPolarHBondContact OE1-CD1 3.41Å; E308-I312 WeakPolarHBondContact OE1-CG1 3.42Å
309	T	98.8	Very high	98.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-48.1	173.1	-55.1	0	0	0	0	110.8	T300 G305 P306 D307 K313 L335 M339	T300-T309 HydrophobicContact CG2-CG2 4.03Å; T300-T309 WeakPolarHBondContact OG1-CA 3.38Å; T300-T309 PolarHBondContact OG1-N 2.73Å; T300-T309 PolarHBondContact OG1-OG1 3.29Å; G305-T309 PolarHBondContact O-N 2.99Å; G305-T309 PolarHBondContact O-OG1 3.1Å; P306-T309 WeakPolarHBondContact O-CB 3.42Å; P306-T309 PolarHBondContact O-N 2.84Å; D307-T309 VanDerWaalsContact C-N 3.32Å; D307-T309 PolarHBondContact O-N 3.45Å; T309-K313 WeakPolarHBondContact O-CB 3.17Å; T309-K313 PolarHBondContact O-N 3.05Å; T309-L335 HydrophobicContact CG2-CD1 3.76Å; T309-M339 HydrophobicContact CG2-CG 4.38Å; T309-M339 HydrophobicContact CG2-SD 3.85Å
310	L	98.8	Very high	98.4	Very high	63 Å²	63	56.8 Å²	56.8	33%	0.33	32%	0.322	S	S	.	.	H	α-helix	trans	-67.7	-36.4	178.8	-65.7	175.2	0	0	0	112.3	P306 D307 E308 K313 A314 N342	P306-L310 WeakPolarHBondContact O-CG 3.43Å; P306-L310 PolarHBondContact O-N 3.04Å; D307-L310 PolarHBondContact O-N 3.37Å; E308-L310 VanDerWaalsContact C-N 3.34Å; E308-L310 PolarHBondContact O-N 2.75Å; L310-K313 HydrophobicContact CD2-CD 4.49Å; L310-K313 WeakPolarHBondContact O-CB 3.33Å; L310-A314 PolarHBondContact O-N 3.14Å; L310-N342 HydrophobicContact CD2-CB 3.69Å
311	R	98.8	Very high	98.4	Very high	115 Å²	115	58.1 Å²	58.1	43%	0.434	33%	0.328	S	S	.	.	H	α-helix	trans	-65.1	-47.9	176.2	-163.2	-162.7	68.4	67	9.8	111.8	D307 E308 K313 A314 E315	D307-R311 WeakPolarHBondContact O-CB 3.45Å; D307-R311 PolarHBondContact O-N 3.23Å; E308-R311 PolarHBondContact O-N 2.87Å; E308-R311 IonicContact OE1-CZ 3.25Å; E308-R311 IonicContact OE1-NE 2.73Å; E308-R311 PolarHBondContact OE1-NE 3.22Å; E308-R311 IonicContact OE1-NH2 2.75Å; E308-R311 PolarHBondContact OE1-NH2 2.67Å; E308-R311 IonicContact OE2-CZ 2.63Å; E308-R311 IonicContact OE2-NE 2.82Å; E308-R311 PolarHBondContact OE2-NE 3.09Å; E308-R311 IonicContact OE2-NH2 3.24Å; R311-K313 PolarHBondContact O-N 3.29Å; R311-A314 WeakPolarHBondContact O-CB 3.36Å; R311-A314 PolarHBondContact O-N 2.95Å; R311-A314 VanDerWaalsContact O-N 3.17Å; R311-E315 IonicContact CZ-OE1 3.64Å; R311-E315 IonicContact NH1-OE1 3.42Å; R311-E315 PolarHBondContact NH1-OE1 3.47Å; R311-E315 IonicContact NH2-OE1 3.34Å; R311-E315 PolarHBondContact NH2-OE1 2.96Å; R311-E315 PolarHBondContact O-N 3.1Å
312	I	98.8	Very high	98.4	Very high	4 Å²	4	60 Å²	60	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-43.6	176.6	-68.9	171.6	0	0	0	110.8	L271 R298 T300 E308 A314 E315 Y316	L271-I312 HydrophobicContact CD2-CG2 4.27Å; R298-I312 HydrophobicContact CG-CG2 4.4Å; T300-I312 HydrophobicContact CG2-CD1 4.49Å; E308-I312 HydrophobicContact CG-CD1 3.91Å; E308-I312 HydrophobicContact CG-CG1 4.32Å; E308-I312 WeakPolarHBondContact O-CB 3.49Å; E308-I312 VanDerWaalsContact O-CG1 3.31Å; E308-I312 WeakPolarHBondContact O-CG1 3.24Å; E308-I312 PolarHBondContact O-N 2.77Å; E308-I312 WeakPolarHBondContact OE1-CD1 3.41Å; E308-I312 WeakPolarHBondContact OE1-CG1 3.42Å; I312-A314 VanDerWaalsContact C-N 3.27Å; I312-A314 PolarHBondContact O-N 3.28Å; I312-E315 WeakPolarHBondContact O-CB 3.18Å; I312-E315 PolarHBondContact O-N 2.66Å; I312-E315 VanDerWaalsContact O-N 3.17Å; I312-Y316 HydrophobicContact CG2-CD2 4.13Å; I312-Y316 HydrophobicContact CG2-CE2 3.72Å; I312-Y316 VanDerWaalsContact O-CD2 3.27Å; I312-Y316 WeakPolarHBondContact O-CD2 3.18Å
313	K	98.8	Very high	98.4	Very high	21 Å²	21	59.7 Å²	59.7	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-53.5	-46	173.4	174.3	-163.5	74.8	78.5	0	111.4	T309 L310 R311 E315 Y316 E317 F325 M339 N342	T309-K313 WeakPolarHBondContact O-CB 3.17Å; T309-K313 PolarHBondContact O-N 3.05Å; L310-K313 HydrophobicContact CD2-CD 4.49Å; L310-K313 WeakPolarHBondContact O-CB 3.33Å; R311-K313 PolarHBondContact O-N 3.29Å; K313-E315 VanDerWaalsContact C-N 3.29Å; K313-E315 PolarHBondContact O-N 3.12Å; K313-Y316 PolarHBondContact O-N 3.2Å; K313-Y316 VanDerWaalsContact O-N 3.15Å; K313-E317 HydrophobicContact CG-CG 4.43Å; K313-E317 VanDerWaalsContact NZ-CD 3.28Å; K313-E317 IonicContact NZ-OE1 3.12Å; K313-E317 PolarHBondContact NZ-OE1 3.2Å; K313-E317 IonicContact NZ-OE2 3.23Å; K313-E317 PolarHBondContact NZ-OE2 3.14Å; K313-E317 PolarHBondContact O-N 3.19Å; K313-F325 HydrophobicContact CG-CZ 4.47Å; K313-M339 HydrophobicContact CB-CE 3.82Å; K313-M339 HydrophobicContact CB-SD 3.95Å; K313-M339 HydrophobicContact CD-CE 4.12Å; K313-M339 HydrophobicContact CD-SD 4.18Å; K313-M339 HydrophobicContact CG-CE 3.68Å; K313-M339 HydrophobicContact CG-SD 4.18Å; K313-N342 HydrophobicContact CD-CB 4.19Å; K313-N342 WeakPolarHBondContact CD-O 3.5Å; K313-N342 VanDerWaalsContact CE-O 3.26Å; K313-N342 WeakPolarHBondContact CE-O 3.24Å; K313-N342 PolarHBondContact NZ-O 2.91Å
314	A	98.7	Very high	98.5	Very high	50 Å²	50	53.7 Å²	53.7	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-30.9	-179.5	0	0	0	0	0	113.3	L310 R311 I312 Y316 E317 G318	L310-A314 PolarHBondContact O-N 3.14Å; R311-A314 WeakPolarHBondContact O-CB 3.36Å; R311-A314 PolarHBondContact O-N 2.95Å; R311-A314 VanDerWaalsContact O-N 3.17Å; I312-A314 VanDerWaalsContact C-N 3.27Å; I312-A314 PolarHBondContact O-N 3.28Å; A314-Y316 VanDerWaalsContact C-N 3.3Å; A314-Y316 PolarHBondContact O-N 3.38Å; A314-E317 PolarHBondContact O-N 2.93Å; A314-G318 PolarHBondContact O-N 3.19Å
315	E	98.8	Very high	98.6	Very high	73 Å²	73	45.7 Å²	45.7	34%	0.341	27%	0.274	S	S	.	.	H	α-helix	trans	-55.9	-47.4	172.2	-62.1	173.8	171.6	0	0	110.7	R298 R311 I312 K313 G318	R298-E315 IonicContact CZ-OE2 2.95Å; R298-E315 IonicContact NH1-OE2 3.66Å; R298-E315 PolarHBondContact NH1-OE2 3.27Å; R298-E315 IonicContact NH2-OE1 3.08Å; R298-E315 IonicContact NH2-OE2 4Å; R298-E315 PolarHBondContact NH2-OE2 3.47Å; R311-E315 IonicContact CZ-OE1 3.64Å; R311-E315 IonicContact NH1-OE1 3.42Å; R311-E315 PolarHBondContact NH1-OE1 3.47Å; R311-E315 IonicContact NH2-OE1 3.34Å; R311-E315 PolarHBondContact NH2-OE1 2.96Å; R311-E315 PolarHBondContact O-N 3.1Å; I312-E315 WeakPolarHBondContact O-CB 3.18Å; I312-E315 PolarHBondContact O-N 2.66Å; I312-E315 VanDerWaalsContact O-N 3.17Å; K313-E315 VanDerWaalsContact C-N 3.29Å; K313-E315 PolarHBondContact O-N 3.12Å; E315-G318 PolarHBondContact O-N 2.89Å
316	Y	98.8	Very high	98.6	Very high	7 Å²	7	45 Å²	45	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-83.5	-17.1	-175.2	-63.2	-63	0	0	0	114.6	R267 V269 E296 R298 I312 K313 A314 F325	R267-Y316 VanDerWaalsContact CZ-CD1 3.47Å; R267-Y316 PolarHBondContact NH2-O 3.44Å; V269-Y316 HydrophobicContact CB-CD2 4.47Å; V269-Y316 HydrophobicContact CB-CE2 4.34Å; V269-Y316 HydrophobicContact CG1-CD2 3.91Å; V269-Y316 HydrophobicContact CG1-CE2 3.46Å; V269-Y316 VanDerWaalsContact CG1-CE2 3.46Å; V269-Y316 HydrophobicContact CG2-CD1 3.76Å; V269-Y316 HydrophobicContact CG2-CD2 4.01Å; V269-Y316 HydrophobicContact CG2-CE1 3.73Å; V269-Y316 HydrophobicContact CG2-CE2 3.98Å; V269-Y316 HydrophobicContact CG2-CG 3.86Å; E296-Y316 PolarHBondContact OE2-OH 2.93Å; R298-Y316 VanDerWaalsContact CD-OH 3.24Å; R298-Y316 WeakPolarHBondContact CD-OH 3.45Å; R298-Y316 HydrophobicContact CG-CE2 4.07Å; R298-Y316 WeakPolarHBondContact CG-OH 3.47Å; R298-Y316 VanDerWaalsContact NH1-CZ 3.31Å; R298-Y316 PolarHBondContact NH1-OH 2.86Å; I312-Y316 HydrophobicContact CG2-CD2 4.13Å; I312-Y316 HydrophobicContact CG2-CE2 3.72Å; I312-Y316 VanDerWaalsContact O-CD2 3.27Å; I312-Y316 WeakPolarHBondContact O-CD2 3.18Å; K313-Y316 PolarHBondContact O-N 3.2Å; K313-Y316 VanDerWaalsContact O-N 3.15Å; A314-Y316 VanDerWaalsContact C-N 3.3Å; A314-Y316 PolarHBondContact O-N 3.38Å; Y316-F325 AromaticContact CD2-CE1 3.98Å; Y316-F325 HydrophobicContact CD2-CE1 3.98Å; Y316-F325 HydrophobicContact CG-CE1 4.29Å
317	E	98.8	Very high	98.7	Very high	57 Å²	57	42.1 Å²	42.1	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-80.8	-28.8	168.7	-72.5	176.1	152.7	0	0	112.1	K313 A314 T343 Y345	K313-E317 HydrophobicContact CG-CG 4.43Å; K313-E317 VanDerWaalsContact NZ-CD 3.28Å; K313-E317 IonicContact NZ-OE1 3.12Å; K313-E317 PolarHBondContact NZ-OE1 3.2Å; K313-E317 IonicContact NZ-OE2 3.23Å; K313-E317 PolarHBondContact NZ-OE2 3.14Å; K313-E317 PolarHBondContact O-N 3.19Å; A314-E317 PolarHBondContact O-N 2.93Å; E317-T343 VanDerWaalsContact OE1-CA 3.29Å; E317-T343 WeakPolarHBondContact OE1-CA 3.44Å; E317-T343 WeakPolarHBondContact OE1-CB 3.3Å; E317-T343 PolarHBondContact OE1-OG1 3.07Å; E317-Y345 HydrophobicContact CG-CD2 4.25Å; E317-Y345 HydrophobicContact CG-CE2 4.15Å
318	G	98.3	Very high	98.7	Very high	71 Å²	71	36.6 Å²	36.6	73%	0.732	22%	0.219	S	C	*	.	H	α-helix	trans	-85.9	-14.1	-169.7	0	0	0	0	0	115.8	A314 E315	A314-G318 PolarHBondContact O-N 3.19Å; E315-G318 PolarHBondContact O-N 2.89Å
319	D	98.3	Very high	98.7	Very high	77 Å²	77	33.7 Å²	33.7	41%	0.412	21%	0.207	S	C	.	.	S	Bend	trans	-95.5	-2.3	-173.3	73	1.8	0	0	0	114.8	R267 I321	R267-D319 IonicContact CZ-OD1 3.91Å; R267-D319 IonicContact CZ-OD2 3.9Å; R267-D319 VanDerWaalsContact CZ-OD2 3.25Å; R267-D319 IonicContact NH1-OD1 3.71Å; R267-D319 IonicContact NH1-OD2 3.69Å; R267-D319 PolarHBondContact NH1-OD2 2.95Å; R267-D319 IonicContact NH2-OD1 3.98Å; R267-D319 PolarHBondContact NH2-OD1 2.95Å; R267-D319 IonicContact NH2-OD2 2.72Å; R267-D319 PolarHBondContact NH2-OD2 3.43Å; D319-I321 VanDerWaalsContact C-N 3.32Å; D319-I321 PolarHBondContact O-N 3.43Å; D319-I321 PolarHBondContact OD1-N 3.47Å; D319-I321 VanDerWaalsContact OD1-N 3.09Å
320	G	98.1	Very high	98.6	Very high	57 Å²	57	35 Å²	35	59%	0.588	22%	0.221	S	C	*	.			trans	79.6	3.9	175.5	0	0	0	0	0	115.5	P322	G320-P322 WeakPolarHBondContact O-CD 3.4Å
321	I	98.7	Very high	98.6	Very high	37 Å²	37	41.7 Å²	41.7	19%	0.19	24%	0.242	C	C	.	.			trans	-87.2	121.5	179	-59.7	176.2	0	0	0	110	Q265 R267 D319 T323	Q265-I321 HydrophobicContact CB-CG2 4.22Å; R267-I321 HydrophobicContact CB-CG2 3.83Å; D319-I321 VanDerWaalsContact C-N 3.32Å; D319-I321 PolarHBondContact O-N 3.43Å; D319-I321 PolarHBondContact OD1-N 3.47Å; D319-I321 VanDerWaalsContact OD1-N 3.09Å; I321-T323 PolarHBondContact O-N 3.34Å; I321-T323 VanDerWaalsContact O-N 3.08Å; I321-T323 PolarHBondContact O-OG1 2.96Å
322	P	98.8	Very high	98.6	Very high	59 Å²	59	40 Å²	40	38%	0.383	25%	0.248	S	C	.	.			trans	-54.9	117.6	176	-26.3	35.6	0	0	0	111.7	R267 G320 F391	R267-P322 PolarHBondContact N-O 2.73Å; G320-P322 WeakPolarHBondContact O-CD 3.4Å; P322-F391 HydrophobicContact CB-CE1 4.11Å; P322-F391 WeakPolarHBondContact O-CE1 3.48Å; P322-F391 WeakPolarHBondContact O-CZ 3.32Å
323	T	98.9	Very high	98.6	Very high	4 Å²	4	40 Å²	40	3%	0.025	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.4	-169.1	-62.2	0	0	0	0	111.4	R267 V269 I321 F325 Y345	R267-T323 PolarHBondContact NE-OG1 3.04Å; R267-T323 PolarHBondContact NH2-OG1 3.46Å; R267-T323 VanDerWaalsContact NH2-OG1 3.13Å; R267-T323 WeakPolarHBondContact O-CA 3.4Å; V269-T323 HydrophobicContact CB-CG2 4.22Å; V269-T323 HydrophobicContact CG2-CG2 3.67Å; I321-T323 PolarHBondContact O-N 3.34Å; I321-T323 VanDerWaalsContact O-N 3.08Å; I321-T323 PolarHBondContact O-OG1 2.96Å; T323-F325 HydrophobicContact CG2-CD1 4.36Å; T323-F325 HydrophobicContact CG2-CE1 4.05Å; T323-F325 HydrophobicContact CG2-CE2 4.31Å; T323-F325 HydrophobicContact CG2-CZ 4.04Å; T323-Y345 WeakPolarHBondContact O-CB 3.34Å
324	V	98.9	Very high	98.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.9	165.9	172.2	0	0	0	0	108.2	R267 V268 V269 P346 I348 A387 I390 F391	R267-V324 PolarHBondContact O-N 2.72Å; V268-V324 WeakPolarHBondContact CA-O 3.13Å; V269-V324 PolarHBondContact N-O 3.05Å; V324-P346 HydrophobicContact CG1-CB 4.45Å; V324-P346 HydrophobicContact CG2-CB 4.29Å; V324-P346 HydrophobicContact CG2-CG 4.26Å; V324-I348 HydrophobicContact CG1-CD1 3.57Å; V324-I348 HydrophobicContact CG1-CG1 4.22Å; V324-A387 HydrophobicContact CB-CB 4.33Å; V324-A387 HydrophobicContact CG1-CB 3.98Å; V324-I390 HydrophobicContact CG2-CB 4.46Å; V324-I390 HydrophobicContact CG2-CD1 4.21Å; V324-I390 HydrophobicContact CG2-CG2 4.08Å; V324-F391 HydrophobicContact CB-CE2 4.11Å; V324-F391 HydrophobicContact CB-CZ 4.13Å; V324-F391 HydrophobicContact CG2-CE1 4.33Å; V324-F391 HydrophobicContact CG2-CE2 3.77Å; V324-F391 HydrophobicContact CG2-CZ 3.64Å
325	F	98.9	Very high	98.5	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.3	176.2	-66.1	-75.7	0	0	0	110.9	V269 L271 K313 Y316 T323 M339 T343 Y345 P346 V347 I348	V269-F325 HydrophobicContact CB-CD1 3.76Å; V269-F325 HydrophobicContact CB-CE1 3.93Å; V269-F325 HydrophobicContact CG1-CD1 4.06Å; V269-F325 HydrophobicContact CG1-CE1 4.12Å; V269-F325 HydrophobicContact CG2-CE1 4.33Å; V269-F325 WeakPolarHBondContact O-CA 3.33Å; L271-F325 HydrophobicContact CD1-CD1 4.18Å; L271-F325 HydrophobicContact CG-CD1 4.47Å; K313-F325 HydrophobicContact CG-CZ 4.47Å; Y316-F325 AromaticContact CD2-CE1 3.98Å; Y316-F325 HydrophobicContact CD2-CE1 3.98Å; Y316-F325 HydrophobicContact CG-CE1 4.29Å; T323-F325 HydrophobicContact CG2-CD1 4.36Å; T323-F325 HydrophobicContact CG2-CE1 4.05Å; T323-F325 HydrophobicContact CG2-CE2 4.31Å; T323-F325 HydrophobicContact CG2-CZ 4.04Å; F325-M339 HydrophobicContact CB-CE 4.29Å; F325-M339 HydrophobicContact CD1-CE 3.74Å; F325-M339 HydrophobicContact CD2-CE 3.89Å; F325-M339 HydrophobicContact CE1-CE 3.97Å; F325-M339 HydrophobicContact CE2-CE 4.08Å; F325-M339 HydrophobicContact CG-CE 3.7Å; F325-M339 HydrophobicContact CZ-CE 4.13Å; F325-T343 HydrophobicContact CD2-CG2 4.21Å; F325-T343 HydrophobicContact CE2-CG2 4.37Å; F325-Y345 AromaticContact CE2-CD2 3.93Å; F325-Y345 HydrophobicContact CE2-CD2 3.93Å; F325-P346 PolarHBondContact N-O 3.16Å; F325-V347 HydrophobicContact CB-CG2 4.31Å; F325-V347 WeakPolarHBondContact O-CA 3.36Å; F325-I348 PolarHBondContact O-N 3.33Å
326	V	98.9	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.5	170.7	-174.5	0	0	0	0	109	V268 V269 V270 L271 I284 V328 I348 C350	V268-V326 HydrophobicContact CG1-CG2 3.83Å; V269-V326 PolarHBondContact O-N 3.34Å; V270-V326 CarbonylContact C-O 3.54Å; V270-V326 WeakPolarHBondContact CA-O 3.45Å; V270-V326 HydrophobicContact CG2-CB 4.29Å; L271-V326 PolarHBondContact N-O 3.27Å; I284-V326 HydrophobicContact CD1-CG1 3.94Å; V326-V328 HydrophobicContact CG1-CG2 4.36Å; V326-I348 CarbonylContact C-O 3.49Å; V326-I348 VanDerWaalsContact CA-O 3.29Å; V326-I348 WeakPolarHBondContact CA-O 3.23Å; V326-I348 HydrophobicContact CG2-CB 4.42Å; V326-I348 HydrophobicContact CG2-CD1 4.36Å; V326-C350 HydrophobicContact CG1-CB 3.72Å
327	A	98.9	Very high	98.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.2	178	0	0	0	0	0	110.4	L335 I348 C350	A327-L335 HydrophobicContact CB-CB 4.48Å; A327-L335 HydrophobicContact CB-CD2 4.35Å; A327-L335 HydrophobicContact CB-CG 4.06Å; A327-I348 PolarHBondContact N-O 2.93Å; A327-C350 PolarHBondContact O-N 2.79Å
328	V	98.9	Very high	98.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	103.2	176.9	-177	0	0	0	0	108.4	V270 L271 M272 G273 D277 I284 V326 P352	V270-V328 HydrophobicContact CG1-CG2 3.68Å; L271-V328 PolarHBondContact O-N 2.93Å; M272-V328 VanDerWaalsContact CA-O 3.32Å; M272-V328 WeakPolarHBondContact CA-O 3.37Å; M272-V328 HydrophobicContact CB-CB 4.4Å; G273-V328 PolarHBondContact N-O 3.45Å; D277-V328 HydrophobicContact CB-CG1 3.98Å; I284-V328 HydrophobicContact CD1-CG2 3.73Å; V326-V328 HydrophobicContact CG1-CG2 4.36Å; V328-P352 HydrophobicContact CG1-CB 4.47Å; V328-P352 HydrophobicContact CG1-CG 4.15Å
329	A	98.6	Very high	98.6	Very high	10 Å²	10	31 Å²	31	8%	0.083	19%	0.187	C	C	.	.			trans	-142.1	122.7	176.5	0	0	0	0	0	109.6	N333 L335	A329-N333 HydrophobicContact CB-CB 4.28Å; A329-L335 HydrophobicContact CB-CB 4.1Å
330	G	97.1	Very high	98.6	Very high	27 Å²	27	28 Å²	28	28%	0.278	17%	0.172	S	C	.	.			trans	-75.1	172.7	169.7	0	0	0	0	0	112.5
331	R	97.8	Very high	98.6	Very high	204 Å²	204	27.6 Å²	27.6	77%	0.77	17%	0.168	S	C	*	.	S	Bend	trans	60.9	-137.4	-178.5	-52	-179.3	-177.3	177.7	-0.1	111.2	N333 D361 S364	R331-N333 PolarHBondContact O-N 2.89Å; R331-N333 VanDerWaalsContact O-N 3.17Å; R331-D361 VanDerWaalsContact CA-CG 3.43Å; R331-D361 WeakPolarHBondContact CA-OD1 3.35Å; R331-D361 WeakPolarHBondContact CA-OD2 3.39Å; R331-D361 PolarHBondContact N-OD2 2.86Å; R331-S364 PolarHBondContact O-OG 2.91Å
332	S	98.3	Very high	98.6	Very high	80 Å²	80	29.8 Å²	29.8	56%	0.559	18%	0.18	S	C	*	.	S	Bend	trans	-72.9	103.1	172.5	-173.1	0	0	0	0	110.3	H303 G334	H303-S332 PolarHBondContact CE1-O 2.65Å; H303-S332 VanDerWaalsContact CE1-O 3.27Å; S332-G334 PolarHBondContact O-N 3.26Å
333	N	98.7	Very high	98.6	Very high	4 Å²	4	28 Å²	28	2%	0.021	17%	0.168	C	C	.	.			trans	-74.4	93.4	179.2	176.5	14.5	0	0	0	111.3	A329 R331 L335 G336 P337 S349 S364 S365	A329-N333 HydrophobicContact CB-CB 4.28Å; R331-N333 PolarHBondContact O-N 2.89Å; R331-N333 VanDerWaalsContact O-N 3.17Å; N333-L335 PolarHBondContact OD1-N 2.89Å; N333-L335 VanDerWaalsContact OD1-N 3.12Å; N333-G336 PolarHBondContact OD1-N 2.83Å; N333-P337 WeakPolarHBondContact O-CD 3.35Å; N333-P337 WeakPolarHBondContact O-CG 3.34Å; N333-S349 WeakPolarHBondContact ND2-CB 3.4Å; N333-S349 PolarHBondContact ND2-OG 2.94Å; N333-S364 WeakPolarHBondContact CB-OG 3.27Å; N333-S364 PolarHBondContact N-OG 3.45Å; N333-S365 PolarHBondContact ND2-OG 3.47Å
334	G	98.3	Very high	98.6	Very high	13 Å²	13	32.7 Å²	32.7	13%	0.134	21%	0.207	C	C	.	.			trans	-86.6	-16.1	167.3	0	0	0	0	0	114.2	S332 V338	S332-G334 PolarHBondContact O-N 3.26Å; G334-V338 WeakPolarHBondContact O-CB 3.49Å; G334-V338 VanDerWaalsContact O-CG2 3.29Å; G334-V338 WeakPolarHBondContact O-CG2 3.33Å; G334-V338 PolarHBondContact O-N 2.88Å
335	L	98.8	Very high	98.6	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-69.8	-47.9	-174.5	-178.9	60	0	0	0	112.2	L271 T300 A302 T309 A327 A329 N333 M339	L271-L335 HydrophobicContact CB-CD2 4Å; L271-L335 VanDerWaalsContact O-CD2 3.27Å; L271-L335 WeakPolarHBondContact O-CD2 3.35Å; T300-L335 HydrophobicContact CG2-CD1 4.21Å; A302-L335 HydrophobicContact CB-CB 4.42Å; A302-L335 HydrophobicContact CB-CD1 4.28Å; T309-L335 HydrophobicContact CG2-CD1 3.76Å; A327-L335 HydrophobicContact CB-CB 4.48Å; A327-L335 HydrophobicContact CB-CD2 4.35Å; A327-L335 HydrophobicContact CB-CG 4.06Å; A329-L335 HydrophobicContact CB-CB 4.1Å; N333-L335 PolarHBondContact OD1-N 2.89Å; N333-L335 VanDerWaalsContact OD1-N 3.12Å; L335-M339 HydrophobicContact CD1-CG 4.25Å; L335-M339 WeakPolarHBondContact O-CB 3.5Å; L335-M339 VanDerWaalsContact O-CG 3.29Å; L335-M339 WeakPolarHBondContact O-CG 3.47Å; L335-M339 PolarHBondContact O-N 2.77Å
336	G	98.8	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-52.9	175.6	0	0	0	0	0	112.6	N333 M339 S340	N333-G336 PolarHBondContact OD1-N 2.83Å; G336-M339 PolarHBondContact O-N 3.31Å; G336-S340 WeakPolarHBondContact O-CB 3.42Å; G336-S340 PolarHBondContact O-N 2.78Å
337	P	98.8	Very high	98.6	Very high	24 Å²	24	39.1 Å²	39.1	16%	0.156	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-45.8	177.8	-27.6	35.6	0	0	0	114.3	N333 M339 S340 G341 L368 L372	N333-P337 WeakPolarHBondContact O-CD 3.35Å; N333-P337 WeakPolarHBondContact O-CG 3.34Å; P337-M339 PolarHBondContact O-N 2.74Å; P337-S340 PolarHBondContact O-N 3.14Å; P337-G341 PolarHBondContact O-N 3.43Å; P337-L368 HydrophobicContact CB-CD2 4.3Å; P337-L368 HydrophobicContact CG-CD2 3.7Å; P337-L372 HydrophobicContact CB-CD2 3.88Å
338	V	98.9	Very high	98.6	Very high	46 Å²	46	39 Å²	39	28%	0.279	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-43.7	178.5	166.3	0	0	0	0	110.9	A302 G334 N342	A302-V338 HydrophobicContact CB-CB 3.98Å; A302-V338 HydrophobicContact CB-CG1 4.27Å; A302-V338 HydrophobicContact CB-CG2 3.97Å; G334-V338 WeakPolarHBondContact O-CB 3.49Å; G334-V338 VanDerWaalsContact O-CG2 3.29Å; G334-V338 WeakPolarHBondContact O-CG2 3.33Å; G334-V338 PolarHBondContact O-N 2.88Å; V338-N342 PolarHBondContact O-N 3.47Å; V338-N342 PolarHBondContact O-ND2 3.02Å
339	M	98.9	Very high	98.6	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-51.8	173.4	-74.4	-65.4	-62.4	0	0	110.9	L271 T309 K313 F325 L335 G336 P337 G341 N342 T343 V347	L271-M339 HydrophobicContact CD1-CE 3.5Å; L271-M339 VanDerWaalsContact CD1-CE 3.5Å; L271-M339 HydrophobicContact CD1-CG 3.9Å; L271-M339 HydrophobicContact CD1-SD 3.57Å; L271-M339 VanDerWaalsContact CD1-SD 3.57Å; T309-M339 HydrophobicContact CG2-CG 4.38Å; T309-M339 HydrophobicContact CG2-SD 3.85Å; K313-M339 HydrophobicContact CB-CE 3.82Å; K313-M339 HydrophobicContact CB-SD 3.95Å; K313-M339 HydrophobicContact CD-CE 4.12Å; K313-M339 HydrophobicContact CD-SD 4.18Å; K313-M339 HydrophobicContact CG-CE 3.68Å; K313-M339 HydrophobicContact CG-SD 4.18Å; F325-M339 HydrophobicContact CB-CE 4.29Å; F325-M339 HydrophobicContact CD1-CE 3.74Å; F325-M339 HydrophobicContact CD2-CE 3.89Å; F325-M339 HydrophobicContact CE1-CE 3.97Å; F325-M339 HydrophobicContact CE2-CE 4.08Å; F325-M339 HydrophobicContact CG-CE 3.7Å; F325-M339 HydrophobicContact CZ-CE 4.13Å; L335-M339 HydrophobicContact CD1-CG 4.25Å; L335-M339 WeakPolarHBondContact O-CB 3.5Å; L335-M339 VanDerWaalsContact O-CG 3.29Å; L335-M339 WeakPolarHBondContact O-CG 3.47Å; L335-M339 PolarHBondContact O-N 2.77Å; G336-M339 PolarHBondContact O-N 3.31Å; P337-M339 PolarHBondContact O-N 2.74Å; M339-G341 VanDerWaalsContact C-N 3.27Å; M339-G341 PolarHBondContact O-N 3.03Å; M339-N342 CarbonylContact O-C 3.58Å; M339-N342 PolarHBondContact O-N 2.81Å; M339-T343 WeakPolarHBondContact O-CG2 3.48Å; M339-T343 PolarHBondContact O-N 2.98Å; M339-T343 VanDerWaalsContact O-N 3.1Å; M339-V347 HydrophobicContact CB-CG1 3.99Å; M339-V347 HydrophobicContact CB-CG2 4.1Å
340	S	98.8	Very high	98.6	Very high	16 Å²	16	38.6 Å²	38.6	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-30.2	-176.2	-179	0	0	0	0	114.3	G336 P337 N342 G373 C374	G336-S340 WeakPolarHBondContact O-CB 3.42Å; G336-S340 PolarHBondContact O-N 2.78Å; P337-S340 PolarHBondContact O-N 3.14Å; S340-N342 VanDerWaalsContact C-N 3.3Å; S340-G373 PolarHBondContact OG-N 3.35Å; S340-C374 PolarHBondContact OG-N 3.41Å
341	G	98.8	Very high	98.7	Very high	47 Å²	47	37.5 Å²	37.5	49%	0.485	22%	0.223	S	C	.	.	H	α-helix	trans	-78.9	-12.6	176.1	0	0	0	0	0	113.9	P337 M339	P337-G341 PolarHBondContact O-N 3.43Å; M339-G341 VanDerWaalsContact C-N 3.27Å; M339-G341 PolarHBondContact O-N 3.03Å
342	N	98.9	Very high	98.8	Very high	84 Å²	84	29 Å²	29	45%	0.449	20%	0.195	S	C	.	.	H	α-helix	trans	-124.6	5.1	-170.2	-69.3	-83.7	0	0	0	114.1	L310 K313 V338 M339 S340	L310-N342 HydrophobicContact CD2-CB 3.69Å; K313-N342 HydrophobicContact CD-CB 4.19Å; K313-N342 WeakPolarHBondContact CD-O 3.5Å; K313-N342 VanDerWaalsContact CE-O 3.26Å; K313-N342 WeakPolarHBondContact CE-O 3.24Å; K313-N342 PolarHBondContact NZ-O 2.91Å; V338-N342 PolarHBondContact O-N 3.47Å; V338-N342 PolarHBondContact O-ND2 3.02Å; M339-N342 CarbonylContact O-C 3.58Å; M339-N342 PolarHBondContact O-N 2.81Å; S340-N342 VanDerWaalsContact C-N 3.3Å
343	T	98.8	Very high	98.8	Very high	20 Å²	20	27.9 Å²	27.9	12%	0.123	18%	0.182	C	C	.	.			trans	-131.7	149.1	171.4	-170.7	0	0	0	0	111.4	E317 F325 M339 Y345 V347	E317-T343 VanDerWaalsContact OE1-CA 3.29Å; E317-T343 WeakPolarHBondContact OE1-CA 3.44Å; E317-T343 WeakPolarHBondContact OE1-CB 3.3Å; E317-T343 PolarHBondContact OE1-OG1 3.07Å; F325-T343 HydrophobicContact CD2-CG2 4.21Å; F325-T343 HydrophobicContact CE2-CG2 4.37Å; M339-T343 WeakPolarHBondContact O-CG2 3.48Å; M339-T343 PolarHBondContact O-N 2.98Å; M339-T343 VanDerWaalsContact O-N 3.1Å; T343-Y345 VanDerWaalsContact C-N 3.31Å; T343-Y345 WeakPolarHBondContact CG2-O 3.43Å; T343-Y345 PolarHBondContact OG1-N 2.96Å; T343-V347 HydrophobicContact CG2-CG2 3.54Å
344	A	98.8	Very high	98.7	Very high	104 Å²	104	31.2 Å²	31.2	86%	0.86	20%	0.203	S	C	*	.	S	Bend	trans	-82.5	-12	167.3	0	0	0	0	0	112.4
345	Y	98.8	Very high	98.7	Very high	73 Å²	73	36.9 Å²	36.9	29%	0.286	24%	0.238	S	C	.	.	S	Bend	trans	-78.5	154.5	179	-67.7	-10.9	0	0	0	112.2	E317 T323 F325 T343 V347	E317-Y345 HydrophobicContact CG-CD2 4.25Å; E317-Y345 HydrophobicContact CG-CE2 4.15Å; T323-Y345 WeakPolarHBondContact O-CB 3.34Å; F325-Y345 AromaticContact CE2-CD2 3.93Å; F325-Y345 HydrophobicContact CE2-CD2 3.93Å; T343-Y345 VanDerWaalsContact C-N 3.31Å; T343-Y345 WeakPolarHBondContact CG2-O 3.43Å; T343-Y345 PolarHBondContact OG1-N 2.96Å; Y345-V347 PolarHBondContact O-N 3.06Å
346	P	98.9	Very high	98.6	Very high	56 Å²	56	42.5 Å²	42.5	36%	0.364	27%	0.268	S	S	.	.			trans	-62.1	135.4	178.9	-21.4	33.5	0	0	0	112.1	V324 F325 I390	V324-P346 HydrophobicContact CG1-CB 4.45Å; V324-P346 HydrophobicContact CG2-CB 4.29Å; V324-P346 HydrophobicContact CG2-CG 4.26Å; F325-P346 PolarHBondContact N-O 3.16Å; P346-I390 HydrophobicContact CB-CD1 4.17Å; P346-I390 HydrophobicContact CG-CG2 4.47Å
347	V	98.9	Very high	98.6	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.3	174.2	-174.6	0	0	0	0	109.7	F325 M339 T343 Y345 C374 S375	F325-V347 HydrophobicContact CB-CG2 4.31Å; F325-V347 WeakPolarHBondContact O-CA 3.36Å; M339-V347 HydrophobicContact CB-CG1 3.99Å; M339-V347 HydrophobicContact CB-CG2 4.1Å; T343-V347 HydrophobicContact CG2-CG2 3.54Å; Y345-V347 PolarHBondContact O-N 3.06Å; V347-C374 PolarHBondContact O-SG 3.26Å; V347-S375 PolarHBondContact O-N 3.43Å; V347-S375 VanDerWaalsContact O-N 3.12Å; V347-S375 PolarHBondContact O-OG 2.85Å
348	I	98.9	Very high	98.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.4	177.1	-54.7	162.5	0	0	0	108.2	V324 F325 V326 A327 I377 F386 A387	V324-I348 HydrophobicContact CG1-CD1 3.57Å; V324-I348 HydrophobicContact CG1-CG1 4.22Å; F325-I348 PolarHBondContact O-N 3.33Å; V326-I348 CarbonylContact C-O 3.49Å; V326-I348 VanDerWaalsContact CA-O 3.29Å; V326-I348 WeakPolarHBondContact CA-O 3.23Å; V326-I348 HydrophobicContact CG2-CB 4.42Å; V326-I348 HydrophobicContact CG2-CD1 4.36Å; A327-I348 PolarHBondContact N-O 2.93Å; I348-I377 HydrophobicContact CG2-CB 4.01Å; I348-I377 HydrophobicContact CG2-CG1 3.79Å; I348-F386 HydrophobicContact CD1-CD1 3.65Å; I348-F386 HydrophobicContact CD1-CE1 4.4Å; I348-F386 HydrophobicContact CG1-CD1 3.97Å; I348-F386 HydrophobicContact CG1-CE1 4.33Å; I348-A387 HydrophobicContact CD1-CB 4.29Å
349	S	98.9	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.3	166.3	-67.6	0	0	0	0	109.7	N333 C374 S375 T376 I377	N333-S349 WeakPolarHBondContact ND2-CB 3.4Å; N333-S349 PolarHBondContact ND2-OG 2.94Å; S349-C374 PolarHBondContact OG-SG 3.24Å; S349-C374 VanDerWaalsContact OG-SG 3.35Å; S349-S375 PolarHBondContact N-O 3.42Å; S349-T376 WeakPolarHBondContact O-CA 3.27Å; S349-I377 PolarHBondContact O-N 3.3Å
350	C	98.9	Very high	98.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.333	C	S	.	.			trans	-124.1	77.1	172.8	-164.1	0	0	0	0	108.8	H280 I284 V326 A327 I377	H280-C350 PolarHBondContact NE2-SG 2.91Å; H280-C350 VanDerWaalsContact NE2-SG 3.38Å; I284-C350 HydrophobicContact CD1-CB 4.27Å; V326-C350 HydrophobicContact CG1-CB 3.72Å; A327-C350 PolarHBondContact O-N 2.79Å; C350-I377 WeakPolarHBondContact CA-O 3.32Å; C350-I377 PolarHBondContact SG-O 2.82Å
351	P	98.6	Very high	98.5	Very high	4 Å²	4	57.3 Å²	57.3	3%	0.026	34%	0.337	C	S	.	.			trans	-70.9	138.9	-174.6	27.9	-33.2	0	0	0	111	L353 L378	P351-L353 HydrophobicContact CB-CD2 3.81Å; P351-L353 HydrophobicContact CB-CG 4.1Å; P351-L353 HydrophobicContact CG-CD1 4.24Å; P351-L353 HydrophobicContact CG-CD2 3.96Å; P351-L353 HydrophobicContact CG-CG 3.92Å; P351-L353 PolarHBondContact O-N 3.29Å; P351-L378 HydrophobicContact CG-CD2 4.23Å
352	P	98.4	Very high	98.5	Very high	27 Å²	27	56.2 Å²	56.2	18%	0.175	32%	0.321	C	S	.	.			trans	-79.1	64.1	179.7	34.2	-35.3	0	0	0	111.2	D277 H280 V328	D277-P352 HydrophobicContact CB-CG 4.38Å; H280-P352 HydrophobicContact CB-CB 4.22Å; V328-P352 HydrophobicContact CG1-CB 4.47Å; V328-P352 HydrophobicContact CG1-CG 4.15Å
353	L	98.3	Very high	98.5	Very high	55 Å²	55	59.2 Å²	59.2	29%	0.288	33%	0.326	S	S	.	.			trans	-66.9	141.2	-174.6	-56.2	-179.4	0	0	0	112.2	P351 D361 V362 L378	P351-L353 HydrophobicContact CB-CD2 3.81Å; P351-L353 HydrophobicContact CB-CG 4.1Å; P351-L353 HydrophobicContact CG-CD1 4.24Å; P351-L353 HydrophobicContact CG-CD2 3.96Å; P351-L353 HydrophobicContact CG-CG 3.92Å; P351-L353 PolarHBondContact O-N 3.29Å; L353-D361 HydrophobicContact CD2-CB 3.87Å; L353-V362 HydrophobicContact CD1-CB 3.87Å; L353-V362 HydrophobicContact CD1-CG2 4.01Å; L353-L378 HydrophobicContact CD1-CD1 4.46Å; L353-L378 HydrophobicContact CD1-CD2 3.78Å
354	T	97.3	Very high	98.4	Very high	74 Å²	74	59.6 Å²	59.6	45%	0.454	33%	0.33	S	S	.	.			trans	-119.3	162.5	168	67.4	0	0	0	0	110.4	D356 G358	T354-D356 PolarHBondContact O-N 2.91Å; T354-G358 VanDerWaalsContact O-CA 3.24Å; T354-G358 WeakPolarHBondContact O-CA 3.29Å; T354-G358 PolarHBondContact O-N 3.15Å
355	P	97.9	Very high	98.4	Very high	133 Å²	133	54.7 Å²	54.7	86%	0.864	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.5	178.7	-26.4	36.3	0	0	0	114.6	W357	P355-W357 PolarHBondContact O-N 3.19Å
356	D	97.7	Very high	98.4	Very high	123 Å²	123	55.5 Å²	55.5	66%	0.658	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-45.4	-174.6	-57.6	-29.5	0	0	0	112.8	T354	T354-D356 PolarHBondContact O-N 2.91Å
357	W	97.8	Very high	98.4	Very high	172 Å²	172	62.3 Å²	62.3	65%	0.652	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	-1.6	-172.6	-61.1	106.2	0	0	0	114.2	P355 A359 Q360 D361	P355-W357 PolarHBondContact O-N 3.19Å; W357-A359 PolarHBondContact O-N 2.66Å; W357-Q360 PolarHBondContact O-N 2.78Å; W357-Q360 PolarHBondContact O-OE1 3.08Å; W357-Q360 VanDerWaalsContact O-OE1 3.12Å; W357-D361 PolarHBondContact O-N 2.72Å
358	G	98.3	Very high	98.4	Very high	7 Å²	7	64.1 Å²	64.1	7%	0.072	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-31.3	-172.3	0	0	0	0	0	113.7	T354 Q360 D361 V362	T354-G358 VanDerWaalsContact O-CA 3.24Å; T354-G358 WeakPolarHBondContact O-CA 3.29Å; T354-G358 PolarHBondContact O-N 3.15Å; G358-Q360 VanDerWaalsContact C-N 3.26Å; G358-Q360 PolarHBondContact O-N 3.31Å; G358-D361 PolarHBondContact O-N 3.43Å; G358-V362 WeakPolarHBondContact O-CB 3.42Å; G358-V362 PolarHBondContact O-N 3.13Å; G358-V362 VanDerWaalsContact O-N 3.1Å
359	A	98.1	Very high	98.4	Very high	68 Å²	68	68.4 Å²	68.4	56%	0.562	35%	0.354	S	S	*	.	H	α-helix	trans	-65.4	-28.9	177.3	0	0	0	0	0	112.9	W357 W363	W357-A359 PolarHBondContact O-N 2.66Å; A359-W363 VanDerWaalsContact O-CD1 3.25Å; A359-W363 PolarHBondContact O-NE1 3.06Å
360	Q	98.6	Very high	98.3	Very high	110 Å²	110	74.2 Å²	74.2	51%	0.514	39%	0.394	S	S	.	.	H	α-helix	trans	-87.2	-45.7	175.8	-63.2	75	31.3	0	0	110.5	W357 G358 V362 W363	W357-Q360 PolarHBondContact O-N 2.78Å; W357-Q360 PolarHBondContact O-OE1 3.08Å; W357-Q360 VanDerWaalsContact O-OE1 3.12Å; G358-Q360 VanDerWaalsContact C-N 3.26Å; G358-Q360 PolarHBondContact O-N 3.31Å; Q360-V362 PolarHBondContact O-N 2.89Å; Q360-W363 PolarHBondContact O-N 2.79Å
361	D	98.6	Very high	98.2	Very high	40 Å²	40	78 Å²	78	21%	0.214	43%	0.434	C	S	.	.	H	α-helix	trans	-63.4	-37.3	-174.2	-73.7	-13.1	0	0	0	113.2	R331 L353 W357 G358 W363 S364	R331-D361 VanDerWaalsContact CA-CG 3.43Å; R331-D361 WeakPolarHBondContact CA-OD1 3.35Å; R331-D361 WeakPolarHBondContact CA-OD2 3.39Å; R331-D361 PolarHBondContact N-OD2 2.86Å; L353-D361 HydrophobicContact CD2-CB 3.87Å; W357-D361 PolarHBondContact O-N 2.72Å; G358-D361 PolarHBondContact O-N 3.43Å; D361-W363 PolarHBondContact O-N 3.45Å; D361-W363 VanDerWaalsContact O-N 3.09Å; D361-S364 WeakPolarHBondContact O-CB 3.47Å; D361-S364 PolarHBondContact O-N 3.09Å; D361-S364 VanDerWaalsContact O-N 3.07Å; D361-S364 PolarHBondContact O-OG 3.18Å
362	V	98.6	Very high	98.2	Very high	23 Å²	23	80.2 Å²	80.2	14%	0.139	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.3	-175.5	69.5	0	0	0	0	113.3	L353 G358 Q360 S364 S365 L366 L378	L353-V362 HydrophobicContact CD1-CB 3.87Å; L353-V362 HydrophobicContact CD1-CG2 4.01Å; G358-V362 WeakPolarHBondContact O-CB 3.42Å; G358-V362 PolarHBondContact O-N 3.13Å; G358-V362 VanDerWaalsContact O-N 3.1Å; Q360-V362 PolarHBondContact O-N 2.89Å; V362-S364 PolarHBondContact O-N 2.75Å; V362-S365 PolarHBondContact O-N 3.27Å; V362-L366 HydrophobicContact CG2-CD1 3.93Å; V362-L366 HydrophobicContact CG2-CG 4.3Å; V362-L366 PolarHBondContact O-N 3.38Å; V362-L378 HydrophobicContact CG2-CD2 3.97Å
363	W	98.8	Very high	98.2	Very high	147 Å²	147	82.4 Å²	82.4	56%	0.557	47%	0.472	S	S	*	.	H	α-helix	trans	-63.2	-27	-178.1	-70.1	105.5	0	0	0	113.2	A359 Q360 D361 S365 L366 R367	A359-W363 VanDerWaalsContact O-CD1 3.25Å; A359-W363 PolarHBondContact O-NE1 3.06Å; Q360-W363 PolarHBondContact O-N 2.79Å; D361-W363 PolarHBondContact O-N 3.45Å; D361-W363 VanDerWaalsContact O-N 3.09Å; W363-S365 PolarHBondContact O-N 3.29Å; W363-L366 HydrophobicContact CE3-CB 4.43Å; W363-L366 HydrophobicContact CE3-CD1 4.3Å; W363-L366 HydrophobicContact CZ3-CD1 4.47Å; W363-L366 PolarHBondContact O-N 2.95Å; W363-R367 HydrophobicContact CE3-CG 3.93Å; W363-R367 HydrophobicContact CZ3-CG 4.35Å; W363-R367 PolarHBondContact O-N 3.49Å
364	S	98.6	Very high	98.2	Very high	29 Å²	29	80.6 Å²	80.6	20%	0.203	46%	0.464	C	S	.	.	H	α-helix	trans	-64.9	-24.4	174.9	68.3	0	0	0	0	113.2	R331 N333 D361 V362	R331-S364 PolarHBondContact O-OG 2.91Å; N333-S364 WeakPolarHBondContact CB-OG 3.27Å; N333-S364 PolarHBondContact N-OG 3.45Å; D361-S364 WeakPolarHBondContact O-CB 3.47Å; D361-S364 PolarHBondContact O-N 3.09Å; D361-S364 VanDerWaalsContact O-N 3.07Å; D361-S364 PolarHBondContact O-OG 3.18Å; V362-S364 PolarHBondContact O-N 2.75Å
365	S	98.8	Very high	98.3	Very high	1 Å²	1	78.8 Å²	78.8	1%	0.007	46%	0.455	C	S	.	.	H	α-helix	trans	-91.3	-23.7	175.6	-55.1	0	0	0	0	112.9	N333 V362 W363 T376	N333-S365 PolarHBondContact ND2-OG 3.47Å; V362-S365 PolarHBondContact O-N 3.27Å; W363-S365 PolarHBondContact O-N 3.29Å; S365-T376 WeakPolarHBondContact CB-OG1 3.15Å; S365-T376 PolarHBondContact O-OG1 3.4Å; S365-T376 VanDerWaalsContact O-OG1 3.11Å
366	L	98.7	Very high	98.4	Very high	90 Å²	90	74 Å²	74	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-93.5	-40.8	-173.8	-67	174.6	0	0	0	114.3	V362 W363 L368 T376	V362-L366 HydrophobicContact CG2-CD1 3.93Å; V362-L366 HydrophobicContact CG2-CG 4.3Å; V362-L366 PolarHBondContact O-N 3.38Å; W363-L366 HydrophobicContact CE3-CB 4.43Å; W363-L366 HydrophobicContact CE3-CD1 4.3Å; W363-L366 HydrophobicContact CZ3-CD1 4.47Å; W363-L366 PolarHBondContact O-N 2.95Å; L366-L368 PolarHBondContact O-N 3.25Å; L366-T376 HydrophobicContact CD2-CG2 4.19Å
367	R	98.6	Very high	98.4	Very high	198 Å²	198	70.2 Å²	70.2	75%	0.747	40%	0.402	S	S	*	.	S	Bend	trans	-99.3	91.5	-173.7	-74.2	-178.6	62.4	84.6	4.4	110.6	W363	W363-R367 HydrophobicContact CE3-CG 3.93Å; W363-R367 HydrophobicContact CZ3-CG 4.35Å; W363-R367 PolarHBondContact O-N 3.49Å
368	L	98.7	Very high	98.5	Very high	46 Å²	46	66.7 Å²	66.7	24%	0.241	40%	0.395	C	S	.	.			trans	-104.4	153.8	-174.8	-53.4	-178.9	0	0	0	111.9	P337 L366 L372 C374	P337-L368 HydrophobicContact CB-CD2 4.3Å; P337-L368 HydrophobicContact CG-CD2 3.7Å; L366-L368 PolarHBondContact O-N 3.25Å; L368-L372 HydrophobicContact CB-CB 4.22Å; L368-L372 HydrophobicContact CB-CD2 4.4Å; L368-L372 HydrophobicContact CD1-CB 4.19Å; L368-C374 HydrophobicContact CD1-CB 3.54Å
369	P	98.3	Very high	98.5	Very high	90 Å²	90	68.8 Å²	68.8	58%	0.584	41%	0.409	S	S	*	.			trans	-62.6	159.6	167	28.1	-34.4	0	0	0	111.2	L372	P369-L372 HydrophobicContact CG-CD1 4.2Å; P369-L372 HydrophobicContact CG-CD2 4.14Å
370	S	97.4	Very high	98.5	Very high	121 Å²	121	66.2 Å²	66.2	85%	0.846	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	145.7	178.4	56.4	0	0	0	0	112.1
371	G	96.9	Very high	98.5	Very high	81 Å²	81	65.4 Å²	65.4	84%	0.835	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	1.1	179.1	0	0	0	0	0	114.7
372	L	98.6	Very high	98.5	Very high	49 Å²	49	64.3 Å²	64.3	26%	0.257	38%	0.381	S	S	.	.			trans	-104.2	124.7	175.2	-84.7	64.8	0	0	0	111.1	P337 L368 P369	P337-L372 HydrophobicContact CB-CD2 3.88Å; L368-L372 HydrophobicContact CB-CB 4.22Å; L368-L372 HydrophobicContact CB-CD2 4.4Å; L368-L372 HydrophobicContact CD1-CB 4.19Å; P369-L372 HydrophobicContact CG-CD1 4.2Å; P369-L372 HydrophobicContact CG-CD2 4.14Å
373	G	98.3	Very high	98.6	Very high	73 Å²	73	63.2 Å²	63.2	75%	0.753	37%	0.374	S	S	*	.			trans	-96.1	16.8	178.1	0	0	0	0	0	114.8	S340 S375	S340-G373 PolarHBondContact OG-N 3.35Å; G373-S375 PolarHBondContact O-N 3.38Å
374	C	98.8	Very high	98.6	Very high	17 Å²	17	56.2 Å²	56.2	12%	0.115	35%	0.348	C	S	.	.			trans	-64.5	127.5	-175.5	-164.2	0	0	0	0	111.4	S340 V347 S349 L368	S340-C374 PolarHBondContact OG-N 3.41Å; V347-C374 PolarHBondContact O-SG 3.26Å; S349-C374 PolarHBondContact OG-SG 3.24Å; S349-C374 VanDerWaalsContact OG-SG 3.35Å; L368-C374 HydrophobicContact CD1-CB 3.54Å
375	S	98.9	Very high	98.6	Very high	37 Å²	37	58.4 Å²	58.4	26%	0.259	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	160.7	174.3	63.4	0	0	0	0	110.9	V347 S349 G373	V347-S375 PolarHBondContact O-N 3.43Å; V347-S375 VanDerWaalsContact O-N 3.12Å; V347-S375 PolarHBondContact O-OG 2.85Å; S349-S375 PolarHBondContact N-O 3.42Å; G373-S375 PolarHBondContact O-N 3.38Å
376	T	98.9	Very high	98.6	Very high	31 Å²	31	61.7 Å²	61.7	19%	0.19	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.4	176.2	-62.6	0	0	0	0	110.2	S349 S365 L366 L378	S349-T376 WeakPolarHBondContact O-CA 3.27Å; S365-T376 WeakPolarHBondContact CB-OG1 3.15Å; S365-T376 PolarHBondContact O-OG1 3.4Å; S365-T376 VanDerWaalsContact O-OG1 3.11Å; L366-T376 HydrophobicContact CD2-CG2 4.19Å; T376-L378 HydrophobicContact CG2-CD2 3.91Å
377	I	98.9	Very high	98.6	Very high	45 Å²	45	57.4 Å²	57.4	23%	0.231	35%	0.347	C	S	.	.			trans	-128.9	118.2	175.2	-56.8	-66.5	0	0	0	108.3	I348 S349 C350 F386	I348-I377 HydrophobicContact CG2-CB 4.01Å; I348-I377 HydrophobicContact CG2-CG1 3.79Å; S349-I377 PolarHBondContact O-N 3.3Å; C350-I377 WeakPolarHBondContact CA-O 3.32Å; C350-I377 PolarHBondContact SG-O 2.82Å; I377-F386 HydrophobicContact CD1-CG 4.35Å; I377-F386 HydrophobicContact CG1-CB 4.31Å; I377-F386 HydrophobicContact CG1-CD1 4.23Å; I377-F386 HydrophobicContact CG1-CG 4.33Å
378	L	98.8	Very high	98.6	Very high	97 Å²	97	48 Å²	48	51%	0.508	31%	0.311	S	S	.	.			trans	-78	-33.1	-172.3	-56.1	-173.7	0	0	0	113.9	P351 L353 V362 T376	P351-L378 HydrophobicContact CG-CD2 4.23Å; L353-L378 HydrophobicContact CD1-CD1 4.46Å; L353-L378 HydrophobicContact CD1-CD2 3.78Å; V362-L378 HydrophobicContact CG2-CD2 3.97Å; T376-L378 HydrophobicContact CG2-CD2 3.91Å
379	S	98.8	Very high	98.6	Very high	52 Å²	52	50.1 Å²	50.1	36%	0.364	32%	0.32	S	S	.	.			trans	-79	130.8	178.5	165	0	0	0	0	110.2	E381 G382 S383	S379-E381 PolarHBondContact OG-N 2.69Å; S379-E381 PolarHBondContact OG-OE2 2.96Å; S379-G382 CarbonylContact O-C 3.57Å; S379-G382 PolarHBondContact O-N 3.38Å; S379-G382 PolarHBondContact OG-N 3.25Å; S379-S383 PolarHBondContact O-N 3.32Å
380	P	98.8	Very high	98.6	Very high	14 Å²	14	48 Å²	48	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-43	174.7	19	-24.5	0	0	0	111.6	K283 I284 G382 S383 A384	K283-P380 HydrophobicContact CB-CB 3.89Å; K283-P380 HydrophobicContact CB-CG 4.08Å; K283-P380 HydrophobicContact CD-CG 3.95Å; I284-P380 HydrophobicContact CD1-CB 4.41Å; I284-P380 HydrophobicContact CG1-CB 3.58Å; P380-G382 VanDerWaalsContact C-N 3.33Å; P380-G382 PolarHBondContact O-N 3.42Å; P380-S383 PolarHBondContact O-N 2.83Å; P380-S383 PolarHBondContact O-OG 2.89Å; P380-A384 PolarHBondContact O-N 2.83Å
381	E	98.8	Very high	98.7	Very high	93 Å²	93	42.9 Å²	42.9	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-40.1	174.7	-59.1	74.7	-161	0	0	111.3	A287 S379 S383 A384 Q385	A287-E381 HydrophobicContact CB-CB 4.32Å; A287-E381 HydrophobicContact CB-CG 4.37Å; S379-E381 PolarHBondContact OG-N 2.69Å; S379-E381 PolarHBondContact OG-OE2 2.96Å; E381-S383 VanDerWaalsContact C-N 3.3Å; E381-S383 PolarHBondContact O-N 3.27Å; E381-A384 PolarHBondContact O-N 2.89Å; E381-Q385 WeakPolarHBondContact O-CB 3.45Å; E381-Q385 PolarHBondContact O-N 3.46Å
382	G	98.8	Very high	98.8	Very high	16 Å²	16	39.3 Å²	39.3	17%	0.165	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-34.6	174.9	0	0	0	0	0	112.9	S379 P380 Q385 F386	S379-G382 CarbonylContact O-C 3.57Å; S379-G382 PolarHBondContact O-N 3.38Å; S379-G382 PolarHBondContact OG-N 3.25Å; P380-G382 VanDerWaalsContact C-N 3.33Å; P380-G382 PolarHBondContact O-N 3.42Å; G382-Q385 PolarHBondContact O-N 3.02Å; G382-F386 WeakPolarHBondContact O-CB 3.37Å; G382-F386 PolarHBondContact O-N 2.89Å
383	S	98.9	Very high	98.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-41.6	177.2	76.7	0	0	0	0	111.8	S379 P380 E381 F386 A387	S379-S383 PolarHBondContact O-N 3.32Å; P380-S383 PolarHBondContact O-N 2.83Å; P380-S383 PolarHBondContact O-OG 2.89Å; E381-S383 VanDerWaalsContact C-N 3.3Å; E381-S383 PolarHBondContact O-N 3.27Å; S383-F386 PolarHBondContact O-N 2.85Å; S383-A387 PolarHBondContact O-N 2.98Å
384	A	98.9	Very high	98.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-39.2	173.4	0	0	0	0	0	111.8	I284 A287 P380 E381 A387 A388	I284-A384 HydrophobicContact CG2-CB 4.35Å; A287-A384 HydrophobicContact CB-CB 3.48Å; A287-A384 VanDerWaalsContact CB-CB 3.48Å; P380-A384 PolarHBondContact O-N 2.83Å; E381-A384 PolarHBondContact O-N 2.89Å; A384-A387 PolarHBondContact O-N 3.03Å; A384-A388 WeakPolarHBondContact O-CB 3.41Å; A384-A388 PolarHBondContact O-N 3.26Å
385	Q	98.9	Very high	98.7	Very high	75 Å²	75	45.2 Å²	45.2	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-40.5	174.7	-172.5	178	10.6	0	0	112	F291 E381 G382 A388 Q389 L402	F291-Q385 HydrophobicContact CE2-CB 4.15Å; F291-Q385 HydrophobicContact CE2-CG 4.49Å; F291-Q385 HydrophobicContact CZ-CB 4.22Å; F291-Q385 HydrophobicContact CZ-CG 4.08Å; E381-Q385 WeakPolarHBondContact O-CB 3.45Å; E381-Q385 PolarHBondContact O-N 3.46Å; G382-Q385 PolarHBondContact O-N 3.02Å; Q385-A388 WeakPolarHBondContact O-CB 3.45Å; Q385-A388 PolarHBondContact O-N 3.16Å; Q385-Q389 VanDerWaalsContact O-CG 3.3Å; Q385-Q389 WeakPolarHBondContact O-CG 3.45Å; Q385-Q389 PolarHBondContact O-N 3.49Å; Q385-L402 HydrophobicContact CG-CD2 3.94Å
386	F	98.9	Very high	98.7	Very high	70 Å²	70	43.7 Å²	43.7	31%	0.307	23%	0.23	S	C	.	.	H	α-helix	trans	-67.3	-41.5	176.3	-171.4	-114.7	0	0	0	111.5	I348 I377 G382 S383 A388 Q389 I390	I348-F386 HydrophobicContact CD1-CD1 3.65Å; I348-F386 HydrophobicContact CD1-CE1 4.4Å; I348-F386 HydrophobicContact CG1-CD1 3.97Å; I348-F386 HydrophobicContact CG1-CE1 4.33Å; I377-F386 HydrophobicContact CD1-CG 4.35Å; I377-F386 HydrophobicContact CG1-CB 4.31Å; I377-F386 HydrophobicContact CG1-CD1 4.23Å; I377-F386 HydrophobicContact CG1-CG 4.33Å; G382-F386 WeakPolarHBondContact O-CB 3.37Å; G382-F386 PolarHBondContact O-N 2.89Å; S383-F386 PolarHBondContact O-N 2.85Å; F386-A388 VanDerWaalsContact C-N 3.31Å; F386-A388 PolarHBondContact O-N 3.21Å; F386-Q389 WeakPolarHBondContact O-CB 3.38Å; F386-Q389 PolarHBondContact O-N 2.97Å; F386-Q389 VanDerWaalsContact O-N 3.16Å; F386-I390 HydrophobicContact CD1-CD1 4.13Å; F386-I390 HydrophobicContact CE1-CD1 3.94Å; F386-I390 WeakPolarHBondContact O-CG1 3.31Å; F386-I390 PolarHBondContact O-N 3.35Å
387	A	98.9	Very high	98.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-42	170.6	0	0	0	0	0	111.8	V268 V324 I348 S383 A384 Q389 I390 F391	V268-A387 HydrophobicContact CG2-CB 3.75Å; V324-A387 HydrophobicContact CB-CB 4.33Å; V324-A387 HydrophobicContact CG1-CB 3.98Å; I348-A387 HydrophobicContact CD1-CB 4.29Å; S383-A387 PolarHBondContact O-N 2.98Å; A384-A387 PolarHBondContact O-N 3.03Å; A387-Q389 VanDerWaalsContact C-N 3.34Å; A387-Q389 PolarHBondContact O-N 2.75Å; A387-I390 WeakPolarHBondContact O-CB 3.48Å; A387-I390 PolarHBondContact O-N 3.34Å; A387-F391 WeakPolarHBondContact O-CD2 3.44Å; A387-F391 PolarHBondContact O-N 2.89Å
388	A	98.9	Very high	98.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-39	174.1	0	0	0	0	0	112.2	F291 I293 A384 Q385 F386 I390 F391 G392 V398 L402	F291-A388 HydrophobicContact CB-CB 3.94Å; F291-A388 HydrophobicContact CD1-CB 4.03Å; F291-A388 HydrophobicContact CD2-CB 3.76Å; F291-A388 HydrophobicContact CE2-CB 4.28Å; F291-A388 HydrophobicContact CG-CB 3.62Å; I293-A388 HydrophobicContact CD1-CB 3.61Å; A384-A388 WeakPolarHBondContact O-CB 3.41Å; A384-A388 PolarHBondContact O-N 3.26Å; Q385-A388 WeakPolarHBondContact O-CB 3.45Å; Q385-A388 PolarHBondContact O-N 3.16Å; F386-A388 VanDerWaalsContact C-N 3.31Å; F386-A388 PolarHBondContact O-N 3.21Å; A388-I390 VanDerWaalsContact C-N 3.32Å; A388-I390 PolarHBondContact O-N 3.17Å; A388-F391 PolarHBondContact O-N 3.5Å; A388-G392 PolarHBondContact O-N 3.31Å; A388-V398 HydrophobicContact CB-CG1 3.86Å; A388-V398 VanDerWaalsContact O-CG1 3.24Å; A388-V398 WeakPolarHBondContact O-CG1 3.42Å; A388-L402 HydrophobicContact CB-CD1 4.22Å; A388-L402 HydrophobicContact CB-CD2 4.22Å; A388-L402 HydrophobicContact CB-CG 4.41Å
389	Q	98.9	Very high	98.7	Very high	92 Å²	92	40.6 Å²	40.6	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-63.1	-38.4	175.8	-73.5	165.8	-9	0	0	111.9	Q385 F386 A387 G392 L402	Q385-Q389 VanDerWaalsContact O-CG 3.3Å; Q385-Q389 WeakPolarHBondContact O-CG 3.45Å; Q385-Q389 PolarHBondContact O-N 3.49Å; F386-Q389 WeakPolarHBondContact O-CB 3.38Å; F386-Q389 PolarHBondContact O-N 2.97Å; F386-Q389 VanDerWaalsContact O-N 3.16Å; A387-Q389 VanDerWaalsContact C-N 3.34Å; A387-Q389 PolarHBondContact O-N 2.75Å; Q389-G392 PolarHBondContact O-N 3.47Å; Q389-L402 HydrophobicContact CB-CD1 4.43Å; Q389-L402 HydrophobicContact CG-CD1 3.95Å; Q389-L402 HydrophobicContact CG-CD2 4.09Å
390	I	98.9	Very high	98.7	Very high	44 Å²	44	38.2 Å²	38.2	23%	0.226	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-51.4	173.4	-65.9	166.6	0	0	0	110.1	V324 P346 F386 A387 A388 G392 L393	V324-I390 HydrophobicContact CG2-CB 4.46Å; V324-I390 HydrophobicContact CG2-CD1 4.21Å; V324-I390 HydrophobicContact CG2-CG2 4.08Å; P346-I390 HydrophobicContact CB-CD1 4.17Å; P346-I390 HydrophobicContact CG-CG2 4.47Å; F386-I390 HydrophobicContact CD1-CD1 4.13Å; F386-I390 HydrophobicContact CE1-CD1 3.94Å; F386-I390 WeakPolarHBondContact O-CG1 3.31Å; F386-I390 PolarHBondContact O-N 3.35Å; A387-I390 WeakPolarHBondContact O-CB 3.48Å; A387-I390 PolarHBondContact O-N 3.34Å; A388-I390 VanDerWaalsContact C-N 3.32Å; A388-I390 PolarHBondContact O-N 3.17Å; I390-G392 VanDerWaalsContact C-N 3.32Å; I390-G392 PolarHBondContact O-N 3.06Å; I390-L393 WeakPolarHBondContact O-CB 3.36Å; I390-L393 WeakPolarHBondContact O-CG 3.39Å; I390-L393 PolarHBondContact O-N 3.37Å
391	F	98.9	Very high	98.7	Very high	15 Å²	15	40.1 Å²	40.1	7%	0.066	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-32.8	179.7	-71.7	-56.7	0	0	0	113.3	C266 R267 V268 I293 P322 V324 A387 A388 L393 N394 N395 V398	C266-F391 HydrophobicContact CB-CB 4.33Å; C266-F391 HydrophobicContact CB-CD1 3.71Å; C266-F391 HydrophobicContact CB-CD2 3.98Å; C266-F391 HydrophobicContact CB-CE1 3.95Å; C266-F391 HydrophobicContact CB-CE2 4.19Å; C266-F391 HydrophobicContact CB-CG 3.74Å; C266-F391 HydrophobicContact CB-CZ 4.19Å; R267-F391 WeakPolarHBondContact O-CZ 3.49Å; V268-F391 HydrophobicContact CG2-CE2 4.07Å; I293-F391 HydrophobicContact CD1-CD2 4.06Å; I293-F391 HydrophobicContact CG2-CD2 4.32Å; I293-F391 HydrophobicContact CG2-CE2 4.25Å; P322-F391 HydrophobicContact CB-CE1 4.11Å; P322-F391 WeakPolarHBondContact O-CE1 3.48Å; P322-F391 WeakPolarHBondContact O-CZ 3.32Å; V324-F391 HydrophobicContact CB-CE2 4.11Å; V324-F391 HydrophobicContact CB-CZ 4.13Å; V324-F391 HydrophobicContact CG2-CE1 4.33Å; V324-F391 HydrophobicContact CG2-CE2 3.77Å; V324-F391 HydrophobicContact CG2-CZ 3.64Å; A387-F391 WeakPolarHBondContact O-CD2 3.44Å; A387-F391 PolarHBondContact O-N 2.89Å; A388-F391 PolarHBondContact O-N 3.5Å; F391-L393 PolarHBondContact O-N 3.06Å; F391-N394 CarbonylContact O-C 3.56Å; F391-N394 PolarHBondContact O-N 3.35Å; F391-N395 WeakPolarHBondContact O-CB 3.34Å; F391-N395 PolarHBondContact O-N 3.03Å; F391-V398 HydrophobicContact CB-CG1 4.37Å
392	G	98.7	Very high	98.8	Very high	5 Å²	5	36.5 Å²	36.5	5%	0.052	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.6	176.6	0	0	0	0	0	114.2	A388 Q389 I390 N394	A388-G392 PolarHBondContact O-N 3.31Å; Q389-G392 PolarHBondContact O-N 3.47Å; I390-G392 VanDerWaalsContact C-N 3.32Å; I390-G392 PolarHBondContact O-N 3.06Å; G392-N394 VanDerWaalsContact C-N 3.28Å
393	L	98.6	Very high	98.8	Very high	142 Å²	142	37.2 Å²	37.2	74%	0.743	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-30.1	169.4	-62.8	177.9	0	0	0	112.5	I390 F391	I390-L393 WeakPolarHBondContact O-CB 3.36Å; I390-L393 WeakPolarHBondContact O-CG 3.39Å; I390-L393 PolarHBondContact O-N 3.37Å; F391-L393 PolarHBondContact O-N 3.06Å
394	N	97	Very high	98.8	Very high	117 Å²	117	37.2 Å²	37.2	63%	0.626	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127	7.4	-174.4	-59.2	-59.9	0	0	0	113.5	E263 S264 F391 G392	E263-N394 WeakPolarHBondContact CG-O 3.48Å; S264-N394 PolarHBondContact OG-O 3Å; F391-N394 CarbonylContact O-C 3.56Å; F391-N394 PolarHBondContact O-N 3.35Å; G392-N394 VanDerWaalsContact C-N 3.28Å
395	N	98.7	Very high	98.8	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	20%	0.195	C	C	.	.			trans	-138.1	104.1	-178.6	-167.8	-58.7	0	0	0	110.4	S262 E263 S264 F391 L397 V398 W399	S262-N395 PolarHBondContact OG-ND2 3.17Å; E263-N395 VanDerWaalsContact OE1-CA 3.29Å; E263-N395 WeakPolarHBondContact OE1-CA 3.28Å; S264-N395 PolarHBondContact O-ND2 3.02Å; S264-N395 VanDerWaalsContact O-ND2 3.16Å; S264-N395 PolarHBondContact OG-ND2 3.45Å; F391-N395 WeakPolarHBondContact O-CB 3.34Å; F391-N395 PolarHBondContact O-N 3.03Å; N395-L397 VanDerWaalsContact C-N 3.27Å; N395-L397 PolarHBondContact O-N 2.79Å; N395-L397 WeakPolarHBondContact OD1-CB 3.45Å; N395-L397 PolarHBondContact OD1-N 2.79Å; N395-L397 VanDerWaalsContact OD1-N 3.09Å; N395-V398 HydrophobicContact CB-CB 4.18Å; N395-V398 HydrophobicContact CB-CG2 4.12Å; N395-V398 PolarHBondContact O-N 3.45Å; N395-V398 PolarHBondContact OD1-N 3.12Å; N395-W399 WeakPolarHBondContact O-CB 3.35Å; N395-W399 PolarHBondContact O-N 3.36Å
396	H	98.8	Very high	98.7	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.028	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-27.7	-177	73	-77.7	0	0	0	113.4	K178 S179 L259 K261 E263 S400	K178-H396 HydrophobicContact CG-CB 3.92Å; S179-H396 PolarHBondContact OG-CD2 3Å; L259-H396 PolarHBondContact O-NE2 3.43Å; K261-H396 PolarHBondContact O-CE1 2.89Å; K261-H396 VanDerWaalsContact O-CE1 3.24Å; E263-H396 VanDerWaalsContact CD-ND1 3.3Å; E263-H396 IonicContact OE1-CG 2.67Å; E263-H396 PolarHBondContact OE1-N 2.85Å; E263-H396 IonicContact OE1-ND1 2.93Å; E263-H396 PolarHBondContact OE1-ND1 2.83Å; E263-H396 IonicContact OE2-CE1 3.48Å; E263-H396 PolarHBondContact OE2-CE1 2.94Å; E263-H396 IonicContact OE2-CG 3.4Å; E263-H396 IonicContact OE2-ND1 3.73Å; E263-H396 PolarHBondContact OE2-ND1 3.16Å; H396-S400 VanDerWaalsContact O-CB 3.27Å; H396-S400 WeakPolarHBondContact O-CB 3.33Å; H396-S400 PolarHBondContact O-N 3.43Å; H396-S400 PolarHBondContact O-OG 2.98Å
397	L	98.9	Very high	98.7	Very high	37 Å²	37	38 Å²	38	19%	0.194	19%	0.192	C	C	.	.	H	α-helix	trans	-70.2	-46.2	178.1	-60	178.5	0	0	0	111	L67 N395 S400 K401	L67-L397 HydrophobicContact CD1-CD2 3.68Å; N395-L397 VanDerWaalsContact C-N 3.27Å; N395-L397 PolarHBondContact O-N 2.79Å; N395-L397 WeakPolarHBondContact OD1-CB 3.45Å; N395-L397 PolarHBondContact OD1-N 2.79Å; N395-L397 VanDerWaalsContact OD1-N 3.09Å; L397-S400 PolarHBondContact O-N 2.87Å; L397-K401 PolarHBondContact O-N 2.8Å; L397-K401 VanDerWaalsContact O-N 3.17Å
398	V	98.9	Very high	98.7	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-45.1	174.3	176.6	0	0	0	0	110.5	I293 A388 F391 N395 S400 K401 L402	I293-V398 HydrophobicContact CD1-CG1 4.03Å; I293-V398 HydrophobicContact CD1-CG2 4.38Å; I293-V398 HydrophobicContact CG1-CG2 4.02Å; A388-V398 HydrophobicContact CB-CG1 3.86Å; A388-V398 VanDerWaalsContact O-CG1 3.24Å; A388-V398 WeakPolarHBondContact O-CG1 3.42Å; F391-V398 HydrophobicContact CB-CG1 4.37Å; N395-V398 HydrophobicContact CB-CB 4.18Å; N395-V398 HydrophobicContact CB-CG2 4.12Å; N395-V398 PolarHBondContact O-N 3.45Å; N395-V398 PolarHBondContact OD1-N 3.12Å; V398-S400 VanDerWaalsContact C-N 3.28Å; V398-S400 PolarHBondContact O-N 3.46Å; V398-K401 PolarHBondContact O-N 2.91Å; V398-L402 HydrophobicContact CG1-CD1 4.39Å; V398-L402 PolarHBondContact O-N 3.44Å; V398-L402 VanDerWaalsContact O-N 3.13Å
399	W	98.9	Very high	98.7	Very high	65 Å²	65	44.1 Å²	44.1	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-43	176.5	-173.9	92.2	0	0	0	112	E174 I175 K178 N395 K401 L402 R403	E174-W399 HydrophobicContact CB-CH2 3.89Å; I175-W399 HydrophobicContact CG1-CZ3 4.06Å; K178-W399 HydrophobicContact CB-CD2 4.37Å; K178-W399 HydrophobicContact CB-CE3 3.78Å; K178-W399 HydrophobicContact CB-CH2 4.46Å; K178-W399 HydrophobicContact CB-CZ3 3.85Å; K178-W399 HydrophobicContact CG-CD2 3.88Å; K178-W399 HydrophobicContact CG-CE3 3.7Å; K178-W399 HydrophobicContact CG-CG 4.26Å; K178-W399 HydrophobicContact CG-CZ3 4.27Å; N395-W399 WeakPolarHBondContact O-CB 3.35Å; N395-W399 PolarHBondContact O-N 3.36Å; W399-K401 PolarHBondContact O-N 3.35Å; W399-L402 WeakPolarHBondContact O-CB 3.29Å; W399-L402 PolarHBondContact O-N 2.93Å; W399-R403 HydrophobicContact CE3-CB 4.1Å; W399-R403 HydrophobicContact CH2-CB 3.86Å; W399-R403 HydrophobicContact CH2-CG 3.69Å; W399-R403 HydrophobicContact CZ2-CB 4.4Å; W399-R403 HydrophobicContact CZ2-CG 4.45Å; W399-R403 HydrophobicContact CZ3-CB 3.7Å; W399-R403 HydrophobicContact CZ3-CG 3.85Å; W399-R403 PolarHBondContact O-N 3.27Å
400	S	98.9	Very high	98.7	Very high	1 Å²	1	43 Å²	43	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-38.7	-178.4	-61.8	0	0	0	0	111.9	H396 L397 V398 R403 A404	H396-S400 VanDerWaalsContact O-CB 3.27Å; H396-S400 WeakPolarHBondContact O-CB 3.33Å; H396-S400 PolarHBondContact O-N 3.43Å; H396-S400 PolarHBondContact O-OG 2.98Å; L397-S400 PolarHBondContact O-N 2.87Å; V398-S400 VanDerWaalsContact C-N 3.28Å; V398-S400 PolarHBondContact O-N 3.46Å; S400-R403 PolarHBondContact O-N 3.05Å; S400-A404 WeakPolarHBondContact O-CB 3.39Å; S400-A404 PolarHBondContact O-N 3.27Å
401	K	98.9	Very high	98.7	Very high	55 Å²	55	42.5 Å²	42.5	24%	0.239	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-42.2	173.6	-69.5	175.3	-175.5	-71.3	0	112	E70 A71 F291 L397 V398 W399 S405	E70-K401 PolarHBondContact O-NZ 3.03Å; A71-K401 WeakPolarHBondContact O-CA 3.36Å; F291-K401 HydrophobicContact CD1-CB 4.17Å; F291-K401 WeakPolarHBondContact O-CD 3.41Å; L397-K401 PolarHBondContact O-N 2.8Å; L397-K401 VanDerWaalsContact O-N 3.17Å; V398-K401 PolarHBondContact O-N 2.91Å; W399-K401 PolarHBondContact O-N 3.35Å; K401-S405 VanDerWaalsContact O-CB 3.27Å; K401-S405 WeakPolarHBondContact O-CB 3.35Å; K401-S405 PolarHBondContact O-N 2.77Å
402	L	98.9	Very high	98.7	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-45.2	173.5	-71.7	162.9	0	0	0	111.2	F291 Q385 A388 Q389 V398 W399 S405 I406	F291-L402 HydrophobicContact CD1-CD2 4.17Å; F291-L402 HydrophobicContact CD1-CG 4.27Å; F291-L402 HydrophobicContact CE1-CD2 3.58Å; F291-L402 HydrophobicContact CE1-CG 4.08Å; F291-L402 HydrophobicContact CZ-CD2 4.04Å; Q385-L402 HydrophobicContact CG-CD2 3.94Å; A388-L402 HydrophobicContact CB-CD1 4.22Å; A388-L402 HydrophobicContact CB-CD2 4.22Å; A388-L402 HydrophobicContact CB-CG 4.41Å; Q389-L402 HydrophobicContact CB-CD1 4.43Å; Q389-L402 HydrophobicContact CG-CD1 3.95Å; Q389-L402 HydrophobicContact CG-CD2 4.09Å; V398-L402 HydrophobicContact CG1-CD1 4.39Å; V398-L402 PolarHBondContact O-N 3.44Å; V398-L402 VanDerWaalsContact O-N 3.13Å; W399-L402 WeakPolarHBondContact O-CB 3.29Å; W399-L402 PolarHBondContact O-N 2.93Å; L402-S405 WeakPolarHBondContact O-CB 3.26Å; L402-S405 PolarHBondContact O-N 2.63Å; L402-I406 WeakPolarHBondContact O-CG1 3.48Å; L402-I406 PolarHBondContact O-N 3.25Å
403	R	98.9	Very high	98.7	Very high	31 Å²	31	50.7 Å²	50.7	12%	0.117	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-43.2	-178.1	-177.3	57	-179.6	101.1	-7.8	113	E174 I175 W399 S400 I406 L407	E174-R403 IonicContact OE1-NH2 3.61Å; E174-R403 IonicContact OE2-CZ 3.61Å; E174-R403 VanDerWaalsContact OE2-CZ 3.22Å; E174-R403 IonicContact OE2-NE 3Å; E174-R403 PolarHBondContact OE2-NE 3.01Å; E174-R403 IonicContact OE2-NH2 3.73Å; E174-R403 PolarHBondContact OE2-NH2 3.46Å; I175-R403 HydrophobicContact CD1-CB 4.49Å; I175-R403 HydrophobicContact CD1-CG 4.39Å; I175-R403 HydrophobicContact CG1-CB 4.16Å; I175-R403 HydrophobicContact CG1-CG 4.03Å; W399-R403 HydrophobicContact CE3-CB 4.1Å; W399-R403 HydrophobicContact CH2-CB 3.86Å; W399-R403 HydrophobicContact CH2-CG 3.69Å; W399-R403 HydrophobicContact CZ2-CB 4.4Å; W399-R403 HydrophobicContact CZ2-CG 4.45Å; W399-R403 HydrophobicContact CZ3-CB 3.7Å; W399-R403 HydrophobicContact CZ3-CG 3.85Å; W399-R403 PolarHBondContact O-N 3.27Å; S400-R403 PolarHBondContact O-N 3.05Å; R403-I406 PolarHBondContact O-N 3.2Å; R403-L407 PolarHBondContact O-N 3.5Å
404	A	98.8	Very high	98.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.6	-37	174.4	0	0	0	0	0	111.7	A71 I73 I175 S400 I406 L407 N408	A71-A404 HydrophobicContact CB-CB 4.49Å; A71-A404 WeakPolarHBondContact O-CB 3.32Å; I73-A404 HydrophobicContact CD1-CB 3.76Å; I73-A404 HydrophobicContact CG1-CB 4.24Å; I175-A404 HydrophobicContact CD1-CB 4.27Å; S400-A404 WeakPolarHBondContact O-CB 3.39Å; S400-A404 PolarHBondContact O-N 3.27Å; A404-I406 VanDerWaalsContact C-N 3.34Å; A404-I406 PolarHBondContact O-N 2.56Å; A404-L407 WeakPolarHBondContact O-CB 3.39Å; A404-L407 PolarHBondContact O-N 3.06Å; A404-N408 PolarHBondContact O-N 3.17Å; A404-N408 PolarHBondContact O-ND2 2.95Å
405	S	98.8	Very high	98.7	Very high	45 Å²	45	44.3 Å²	44.3	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-40.7	174.7	-178.6	0	0	0	0	112.2	K401 L402 L407 N408 T409	K401-S405 VanDerWaalsContact O-CB 3.27Å; K401-S405 WeakPolarHBondContact O-CB 3.35Å; K401-S405 PolarHBondContact O-N 2.77Å; L402-S405 WeakPolarHBondContact O-CB 3.26Å; L402-S405 PolarHBondContact O-N 2.63Å; S405-L407 VanDerWaalsContact C-N 3.33Å; S405-L407 PolarHBondContact O-N 2.85Å; S405-N408 PolarHBondContact O-N 3.27Å; S405-T409 WeakPolarHBondContact O-CB 3.41Å; S405-T409 PolarHBondContact O-N 3.04Å; S405-T409 PolarHBondContact O-OG1 3.2Å; S405-T409 VanDerWaalsContact O-OG1 3.05Å
406	I	98.8	Very high	98.6	Very high	106 Å²	106	47 Å²	47	54%	0.544	25%	0.25	S	S	.	.	H	α-helix	trans	-58.4	-47	174.5	-68.2	165.4	0	0	0	110.4	L402 R403 A404 W410	L402-I406 WeakPolarHBondContact O-CG1 3.48Å; L402-I406 PolarHBondContact O-N 3.25Å; R403-I406 PolarHBondContact O-N 3.2Å; A404-I406 VanDerWaalsContact C-N 3.34Å; A404-I406 PolarHBondContact O-N 2.56Å; I406-W410 WeakPolarHBondContact O-CB 3.34Å; I406-W410 PolarHBondContact O-N 3.1Å; I406-W410 VanDerWaalsContact O-N 3.12Å
407	L	98.8	Very high	98.6	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-52.7	177.4	174.6	68.6	0	0	0	111.2	I73 H167 A168 A171 R403 A404 S405 T409 W410 I411	I73-L407 HydrophobicContact CD1-CD2 3.8Å; H167-L407 HydrophobicContact CB-CD1 3.9Å; A168-L407 HydrophobicContact CB-CD1 4.37Å; A168-L407 HydrophobicContact CB-CD2 4.02Å; A171-L407 HydrophobicContact CB-CB 4.26Å; A171-L407 HydrophobicContact CB-CD2 3.92Å; A171-L407 HydrophobicContact CB-CG 4.46Å; R403-L407 PolarHBondContact O-N 3.5Å; A404-L407 WeakPolarHBondContact O-CB 3.39Å; A404-L407 PolarHBondContact O-N 3.06Å; S405-L407 VanDerWaalsContact C-N 3.33Å; S405-L407 PolarHBondContact O-N 2.85Å; L407-T409 VanDerWaalsContact C-N 3.34Å; L407-T409 PolarHBondContact O-N 3.11Å; L407-W410 HydrophobicContact CD1-CE3 4.46Å; L407-W410 PolarHBondContact O-N 3.33Å; L407-W410 VanDerWaalsContact O-N 3.11Å; L407-I411 HydrophobicContact CD1-CD1 3.92Å; L407-I411 HydrophobicContact CD1-CG1 4.12Å; L407-I411 HydrophobicContact CD2-CD1 4.28Å; L407-I411 HydrophobicContact CG-CD1 3.76Å; L407-I411 HydrophobicContact CG-CG1 4.28Å; L407-I411 WeakPolarHBondContact O-CG1 3.5Å; L407-I411 PolarHBondContact O-N 3.37Å
408	N	98.7	Very high	98.5	Very high	46 Å²	46	50.8 Å²	50.8	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-36.3	-174.1	-71.3	-27.8	0	0	0	112.6	G72 A404 S405 I411 S412	G72-N408 PolarHBondContact O-ND2 2.94Å; A404-N408 PolarHBondContact O-N 3.17Å; A404-N408 PolarHBondContact O-ND2 2.95Å; S405-N408 PolarHBondContact O-N 3.27Å; N408-I411 PolarHBondContact O-N 3.06Å; N408-S412 WeakPolarHBondContact O-CB 3.29Å; N408-S412 PolarHBondContact O-N 3.04Å; N408-S412 PolarHBondContact O-OG 3.48Å
409	T	98.7	Very high	98.3	Very high	84 Å²	84	57.8 Å²	57.8	52%	0.515	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-44.6	172.4	-62.2	0	0	0	0	111	S405 L407 S412 L413	S405-T409 WeakPolarHBondContact O-CB 3.41Å; S405-T409 PolarHBondContact O-N 3.04Å; S405-T409 PolarHBondContact O-OG1 3.2Å; S405-T409 VanDerWaalsContact O-OG1 3.05Å; L407-T409 VanDerWaalsContact C-N 3.34Å; L407-T409 PolarHBondContact O-N 3.11Å; T409-S412 WeakPolarHBondContact O-CB 3.24Å; T409-S412 PolarHBondContact O-N 3.35Å; T409-L413 PolarHBondContact O-N 3.38Å; T409-L413 VanDerWaalsContact O-N 3.1Å
410	W	98.8	Very high	98.2	Very high	67 Å²	67	59.4 Å²	59.4	25%	0.254	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-42.2	176.9	175.9	92.7	0	0	0	112.1	D163 I164 H167 I406 L407 S412 L413 K414	D163-W410 HydrophobicContact CB-CH2 3.8Å; D163-W410 HydrophobicContact CB-CZ2 4.27Å; I164-W410 HydrophobicContact CB-CZ3 4.45Å; I164-W410 HydrophobicContact CG1-CH2 4.28Å; I164-W410 HydrophobicContact CG1-CZ3 3.89Å; H167-W410 HydrophobicContact CB-CE3 4.19Å; H167-W410 HydrophobicContact CB-CH2 4.06Å; H167-W410 HydrophobicContact CB-CZ3 3.81Å; H167-W410 AromaticContact CD2-CE2 3.92Å; H167-W410 AromaticContact CD2-CZ2 3.89Å; H167-W410 AromaticContact CE1-CH2 3.88Å; H167-W410 AromaticContact CE1-CZ2 3.53Å; H167-W410 AromaticContact CG-CH2 3.63Å; H167-W410 AromaticContact CG-CZ2 3.83Å; H167-W410 AromaticContact CG-CZ3 3.85Å; H167-W410 AromaticContact ND1-CH2 3.44Å; H167-W410 WeakPolarHBondContact ND1-CH2 3.03Å; H167-W410 AromaticContact ND1-CZ2 3.59Å; H167-W410 AromaticContact NE2-CE2 3.91Å; H167-W410 AromaticContact NE2-CZ2 3.71Å; I406-W410 WeakPolarHBondContact O-CB 3.34Å; I406-W410 PolarHBondContact O-N 3.1Å; I406-W410 VanDerWaalsContact O-N 3.12Å; L407-W410 HydrophobicContact CD1-CE3 4.46Å; L407-W410 PolarHBondContact O-N 3.33Å; L407-W410 VanDerWaalsContact O-N 3.11Å; W410-S412 VanDerWaalsContact C-N 3.3Å; W410-S412 PolarHBondContact O-N 3.36Å; W410-L413 WeakPolarHBondContact O-CB 3.4Å; W410-L413 PolarHBondContact O-N 3.4Å; W410-K414 HydrophobicContact CD2-CG 4.14Å; W410-K414 HydrophobicContact CE3-CG 4.23Å; W410-K414 HydrophobicContact CH2-CD 4.2Å; W410-K414 HydrophobicContact CH2-CG 3.81Å; W410-K414 HydrophobicContact CZ2-CD 3.78Å; W410-K414 HydrophobicContact CZ2-CG 3.74Å; W410-K414 HydrophobicContact CZ3-CG 4.06Å; W410-K414 WeakPolarHBondContact O-CG 3.48Å; W410-K414 PolarHBondContact O-N 3.19Å; W410-K414 VanDerWaalsContact O-N 3.09Å
411	I	98.6	Very high	98	Very high	35 Å²	35	65 Å²	65	18%	0.179	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-43.4	174.1	-67.2	174.9	0	0	0	110.1	I164 L407 N408 L413 K414 Q415	I164-I411 HydrophobicContact CD1-CG2 4.16Å; I164-I411 HydrophobicContact CG1-CG1 4.26Å; I164-I411 HydrophobicContact CG1-CG2 4.44Å; I164-I411 HydrophobicContact CG2-CD1 3.95Å; I164-I411 HydrophobicContact CG2-CG1 4.15Å; L407-I411 HydrophobicContact CD1-CD1 3.92Å; L407-I411 HydrophobicContact CD1-CG1 4.12Å; L407-I411 HydrophobicContact CD2-CD1 4.28Å; L407-I411 HydrophobicContact CG-CD1 3.76Å; L407-I411 HydrophobicContact CG-CG1 4.28Å; L407-I411 WeakPolarHBondContact O-CG1 3.5Å; L407-I411 PolarHBondContact O-N 3.37Å; N408-I411 PolarHBondContact O-N 3.06Å; I411-L413 VanDerWaalsContact C-N 3.29Å; I411-L413 PolarHBondContact O-N 2.95Å; I411-K414 WeakPolarHBondContact O-CB 3.37Å; I411-K414 PolarHBondContact O-N 3.12Å; I411-K414 VanDerWaalsContact O-N 3.1Å; I411-Q415 HydrophobicContact CG2-CG 4.23Å; I411-Q415 WeakPolarHBondContact O-CG 3.44Å; I411-Q415 PolarHBondContact O-N 2.86Å
412	S	98.4	Very high	97.7	Very high	77 Å²	77	69.2 Å²	69.2	54%	0.538	35%	0.353	S	S	.	.	H	α-helix	trans	-60.6	-39.1	179.6	-59.2	0	0	0	0	112	N408 T409 W410 Q415 A416	N408-S412 WeakPolarHBondContact O-CB 3.29Å; N408-S412 PolarHBondContact O-N 3.04Å; N408-S412 PolarHBondContact O-OG 3.48Å; T409-S412 WeakPolarHBondContact O-CB 3.24Å; T409-S412 PolarHBondContact O-N 3.35Å; W410-S412 VanDerWaalsContact C-N 3.3Å; W410-S412 PolarHBondContact O-N 3.36Å; S412-Q415 PolarHBondContact O-N 3.01Å; S412-A416 WeakPolarHBondContact O-CB 3.18Å; S412-A416 PolarHBondContact O-N 2.79Å
413	L	98.5	Very high	97.3	Very high	115 Å²	115	73.4 Å²	73.4	60%	0.602	38%	0.382	S	S	*	.	H	α-helix	trans	-63.2	-44.1	173.4	-69	168.7	0	0	0	111.7	T409 W410 I411 Q415 A416 D417	T409-L413 PolarHBondContact O-N 3.38Å; T409-L413 VanDerWaalsContact O-N 3.1Å; W410-L413 WeakPolarHBondContact O-CB 3.4Å; W410-L413 PolarHBondContact O-N 3.4Å; I411-L413 VanDerWaalsContact C-N 3.29Å; I411-L413 PolarHBondContact O-N 2.95Å; L413-Q415 VanDerWaalsContact C-N 3.32Å; L413-Q415 PolarHBondContact O-N 2.96Å; L413-A416 PolarHBondContact O-N 3.5Å; L413-D417 WeakPolarHBondContact O-CB 3.29Å; L413-D417 PolarHBondContact O-N 3.1Å
414	K	98.3	Very high	96.6	Very high	42 Å²	42	82 Å²	82	18%	0.183	42%	0.423	C	S	.	.	H	α-helix	trans	-61.2	-40.7	176.9	-65.7	-70.8	-70.5	-170.2	0	112.2	T160 D163 W410 I411 K418	T160-K414 HydrophobicContact CG2-CB 4.17Å; D163-K414 WeakPolarHBondContact OD2-CE 3.35Å; D163-K414 IonicContact OD2-NZ 3.62Å; D163-K414 PolarHBondContact OD2-NZ 3.27Å; W410-K414 HydrophobicContact CD2-CG 4.14Å; W410-K414 HydrophobicContact CE3-CG 4.23Å; W410-K414 HydrophobicContact CH2-CD 4.2Å; W410-K414 HydrophobicContact CH2-CG 3.81Å; W410-K414 HydrophobicContact CZ2-CD 3.78Å; W410-K414 HydrophobicContact CZ2-CG 3.74Å; W410-K414 HydrophobicContact CZ3-CG 4.06Å; W410-K414 WeakPolarHBondContact O-CG 3.48Å; W410-K414 PolarHBondContact O-N 3.19Å; W410-K414 VanDerWaalsContact O-N 3.09Å; I411-K414 WeakPolarHBondContact O-CB 3.37Å; I411-K414 PolarHBondContact O-N 3.12Å; I411-K414 VanDerWaalsContact O-N 3.1Å; K414-K418 WeakPolarHBondContact O-CB 3.34Å; K414-K418 PolarHBondContact O-N 3.12Å
415	Q	97	Very high	96.5	Very high	83 Å²	83	86.1 Å²	86.1	39%	0.388	44%	0.444	S	S	.	.	H	α-helix	trans	-70	-40.1	177.5	-65.7	-59.6	-20.1	0	0	112.2	I164 I411 S412 L413 K418 K419	I164-Q415 VanDerWaalsContact CD1-NE2 3.29Å; I411-Q415 HydrophobicContact CG2-CG 4.23Å; I411-Q415 WeakPolarHBondContact O-CG 3.44Å; I411-Q415 PolarHBondContact O-N 2.86Å; S412-Q415 PolarHBondContact O-N 3.01Å; L413-Q415 VanDerWaalsContact C-N 3.32Å; L413-Q415 PolarHBondContact O-N 2.96Å; Q415-K418 PolarHBondContact O-N 3.02Å; Q415-K419 WeakPolarHBondContact O-CB 3.36Å; Q415-K419 PolarHBondContact O-N 3.17Å
416	A	97.9	Very high	96.4	Very high	59 Å²	59	88.3 Å²	88.3	49%	0.488	45%	0.451	S	S	.	.	H	α-helix	trans	-62.3	-43.7	175.1	0	0	0	0	0	111.9	S412 L413 K419 I420	S412-A416 WeakPolarHBondContact O-CB 3.18Å; S412-A416 PolarHBondContact O-N 2.79Å; L413-A416 PolarHBondContact O-N 3.5Å; A416-K419 PolarHBondContact O-N 3.32Å; A416-I420 PolarHBondContact O-N 2.65Å
417	D	98.3	Very high	96.2	Very high	72 Å²	72	87.3 Å²	87.3	39%	0.385	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-41.8	174.6	179.1	71.2	0	0	0	112.2	L413 K419 I420 R421	L413-D417 WeakPolarHBondContact O-CB 3.29Å; L413-D417 PolarHBondContact O-N 3.1Å; D417-K419 VanDerWaalsContact C-N 3.33Å; D417-K419 PolarHBondContact O-N 3.1Å; D417-I420 WeakPolarHBondContact O-CG2 3.46Å; D417-I420 PolarHBondContact O-N 3.07Å; D417-R421 WeakPolarHBondContact O-CB 3.34Å; D417-R421 VanDerWaalsContact O-CG 3.28Å; D417-R421 WeakPolarHBondContact O-CG 3.41Å; D417-R421 PolarHBondContact O-N 3.09Å; D417-R421 PolarHBondContact O-NE 2.96Å; D417-R421 IonicContact OD2-CZ 3.79Å; D417-R421 IonicContact OD2-NE 3.99Å; D417-R421 PolarHBondContact OD2-NE 3.48Å; D417-R421 IonicContact OD2-NH1 2.89Å; D417-R421 PolarHBondContact OD2-NH1 3.22Å; D417-R421 IonicContact OD2-NH2 2.7Å
418	K	95.9	Very high	96.1	Very high	51 Å²	51	91.9 Å²	91.9	22%	0.222	47%	0.469	C	S	.	.	H	α-helix	trans	-57.5	-47.4	173.5	-172.8	178.7	179.8	179.4	0	111.4	T160 E161 K414 Q415 R421 E422	T160-K418 HydrophobicContact CG2-CD 4.19Å; E161-K418 IonicContact OE1-NZ 3.5Å; E161-K418 PolarHBondContact OE1-NZ 3Å; E161-K418 IonicContact OE2-NZ 2.91Å; K414-K418 WeakPolarHBondContact O-CB 3.34Å; K414-K418 PolarHBondContact O-N 3.12Å; Q415-K418 PolarHBondContact O-N 3.02Å; K418-R421 PolarHBondContact O-N 3.38Å; K418-E422 PolarHBondContact O-N 3Å
419	K	95.6	Very high	95.9	Very high	153 Å²	153	94.8 Å²	94.8	67%	0.665	48%	0.483	S	S	*	.	H	α-helix	trans	-63.4	-43	179.3	-174.5	177.7	180	178.5	0	112.8	Q415 A416 D417 R421 E422	Q415-K419 WeakPolarHBondContact O-CB 3.36Å; Q415-K419 PolarHBondContact O-N 3.17Å; A416-K419 PolarHBondContact O-N 3.32Å; D417-K419 VanDerWaalsContact C-N 3.33Å; D417-K419 PolarHBondContact O-N 3.1Å; K419-R421 VanDerWaalsContact C-N 3.31Å; K419-R421 PolarHBondContact O-N 3.49Å; K419-E422 PolarHBondContact O-N 3.24Å
420	I	96.8	Very high	95.7	Very high	99 Å²	99	95.5 Å²	95.5	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-71.3	-28.5	-179.3	-159.5	170.7	0	0	0	112.2	A416 D417 E422 C423 H424	A416-I420 PolarHBondContact O-N 2.65Å; D417-I420 WeakPolarHBondContact O-CG2 3.46Å; D417-I420 PolarHBondContact O-N 3.07Å; I420-E422 VanDerWaalsContact C-N 3.28Å; I420-E422 PolarHBondContact O-N 3.33Å; I420-C423 WeakPolarHBondContact O-CB 3.41Å; I420-C423 PolarHBondContact O-N 3.33Å; I420-H424 PolarHBondContact O-CD2 3.48Å
421	R	95.5	Very high	95.5	Very high	119 Å²	119	97.5 Å²	97.5	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-67.7	-22.9	172.9	-72.9	-179.9	-55.5	-169.9	1.9	113.8	T160 D417 K418 K419 C423 H424	T160-R421 PolarHBondContact OG1-NH2 3.37Å; D417-R421 WeakPolarHBondContact O-CB 3.34Å; D417-R421 VanDerWaalsContact O-CG 3.28Å; D417-R421 WeakPolarHBondContact O-CG 3.41Å; D417-R421 PolarHBondContact O-N 3.09Å; D417-R421 PolarHBondContact O-NE 2.96Å; D417-R421 IonicContact OD2-CZ 3.79Å; D417-R421 IonicContact OD2-NE 3.99Å; D417-R421 PolarHBondContact OD2-NE 3.48Å; D417-R421 IonicContact OD2-NH1 2.89Å; D417-R421 PolarHBondContact OD2-NH1 3.22Å; D417-R421 IonicContact OD2-NH2 2.7Å; K418-R421 PolarHBondContact O-N 3.38Å; K419-R421 VanDerWaalsContact C-N 3.31Å; K419-R421 PolarHBondContact O-N 3.49Å; R421-C423 PolarHBondContact O-N 2.99Å; R421-H424 PolarHBondContact O-N 3.2Å
422	E	91.3	Very high	95.3	Very high	144 Å²	144	102.3 Å²	102.3	67%	0.673	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.6	174.5	-67.9	170.2	-176.9	0	0	112.6	K418 K419 I420 H424	K418-E422 PolarHBondContact O-N 3Å; K419-E422 PolarHBondContact O-N 3.24Å; I420-E422 VanDerWaalsContact C-N 3.28Å; I420-E422 PolarHBondContact O-N 3.33Å; E422-H424 VanDerWaalsContact C-N 3.3Å
423	C	91.6	Very high	95	Very high	104 Å²	104	104.4 Å²	104.4	70%	0.703	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.7	174.8	-59.8	0	0	0	0	113.4	I420 R421	I420-C423 WeakPolarHBondContact O-CB 3.41Å; I420-C423 PolarHBondContact O-N 3.33Å; R421-C423 PolarHBondContact O-N 2.99Å
424	H	83.3	Confident	94.7	Very high	212 Å²	212	103.5 Å²	103.5	98%	0.981	51%	0.513	S	S	*	.			trans	-127.9	0	-177.4	-67.9	-60.9	0	0	0	110.1	I420 R421 E422	I420-H424 PolarHBondContact O-CD2 3.48Å; R421-H424 PolarHBondContact O-N 3.2Å; E422-H424 VanDerWaalsContact C-N 3.3Å

Retrieved 424 of 424 residues in 329.6 ms (Link to these results)

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