A0A087YFP9_POEFO Loading...

Platelet glycoprotein 4

AlphaFold DB , UniProt , Accession A0A087YFP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 469 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	67.9	Low	245 Å²	245	105.5 Å²	105.5	100%	1.207	61%	0.611	S	S	*	*				0	98.9	0	-77.6	172.5	171.2	0	0	108.1	C3	M1-C3 PolarHBondContact O-N 3.31Å
2	G	43.3	Very low	69.7	Low	85 Å²	85	101.2 Å²	101.2	88%	0.876	60%	0.597	S	S	*	*			trans	-73.7	105.9	-174.3	0	0	0	0	0	111.4	C4	G2-C4 PolarHBondContact O-N 3.46Å; G2-C4 VanDerWaalsContact O-N 3.09Å
3	C	43	Very low	71.2	Confident	128 Å²	128	94.8 Å²	94.8	87%	0.865	57%	0.566	S	S	*	*			trans	-74.3	95	169.4	-81.2	0	0	0	0	108.9	M1 N5	M1-C3 PolarHBondContact O-N 3.31Å; C3-N5 PolarHBondContact O-N 3.17Å
4	C	54	Low	72.5	Confident	112 Å²	112	88.9 Å²	88.9	76%	0.757	53%	0.532	S	S	*	.			trans	-62.3	106.2	160.3	-156.5	0	0	0	0	107	G2 R6	G2-C4 PolarHBondContact O-N 3.46Å; G2-C4 VanDerWaalsContact O-N 3.09Å; C4-R6 PolarHBondContact O-N 3.49Å; C4-R6 VanDerWaalsContact O-N 3.1Å
5	N	75.5	Confident	73.8	Confident	103 Å²	103	88.3 Å²	88.3	55%	0.551	53%	0.529	S	S	*	.			trans	-58.9	117.4	-177	-167	-4.5	0	0	0	108.4	C3 R7 C8 G9	C3-N5 PolarHBondContact O-N 3.17Å; N5-R7 PolarHBondContact O-N 3.16Å; N5-C8 HydrophobicContact CB-CB 4.31Å; N5-C8 WeakPolarHBondContact O-CA 3.5Å; N5-C8 WeakPolarHBondContact O-CB 3.49Å; N5-C8 PolarHBondContact O-N 3.34Å; N5-G9 PolarHBondContact O-N 2.97Å
6	R	76.3	Confident	75	Confident	197 Å²	197	88.1 Å²	88.1	74%	0.743	53%	0.528	S	S	*	.	H	α-helix	trans	-55.5	-28.6	-170	-154.9	174.3	-177.8	178.7	0.3	112.7	C4 L10	C4-R6 PolarHBondContact O-N 3.49Å; C4-R6 VanDerWaalsContact O-N 3.1Å; R6-L10 WeakPolarHBondContact O-CD1 3.47Å; R6-L10 WeakPolarHBondContact O-CG 3.3Å; R6-L10 PolarHBondContact O-N 3.45Å
7	R	78.6	Confident	75.9	Confident	64 Å²	64	82.9 Å²	82.9	24%	0.242	50%	0.498	C	S	.	.	H	α-helix	trans	-67	-42.9	170.9	-78.9	-174.9	176.4	-179.9	4.6	113.1	N5 G9 L10 I11 Y456 V459	N5-R7 PolarHBondContact O-N 3.16Å; R7-G9 VanDerWaalsContact C-N 3.32Å; R7-G9 PolarHBondContact O-N 3.31Å; R7-L10 PolarHBondContact O-N 3.08Å; R7-I11 WeakPolarHBondContact O-CG1 3.26Å; R7-I11 PolarHBondContact O-N 3.07Å; R7-Y456 HydrophobicContact CB-CE2 4.42Å; R7-Y456 HydrophobicContact CG-CD2 4.44Å; R7-Y456 HydrophobicContact CG-CE2 4.3Å; R7-V459 HydrophobicContact CG-CG1 4.03Å
8	C	81.4	Confident	76.7	Confident	73 Å²	73	79.9 Å²	79.9	49%	0.493	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-38.6	177.8	-66.1	0	0	0	0	111.5	N5 I11 A12	N5-C8 HydrophobicContact CB-CB 4.31Å; N5-C8 WeakPolarHBondContact O-CA 3.5Å; N5-C8 WeakPolarHBondContact O-CB 3.49Å; N5-C8 PolarHBondContact O-N 3.34Å; C8-I11 PolarHBondContact O-N 2.93Å; C8-A12 VanDerWaalsContact O-CB 3.3Å; C8-A12 WeakPolarHBondContact O-CB 3.33Å; C8-A12 PolarHBondContact O-N 2.98Å
9	G	83.5	Confident	77.6	Confident	38 Å²	38	81.3 Å²	81.3	39%	0.392	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-40.1	174.6	0	0	0	0	0	113.3	N5 R7 G13	N5-G9 PolarHBondContact O-N 2.97Å; R7-G9 VanDerWaalsContact C-N 3.32Å; R7-G9 PolarHBondContact O-N 3.31Å; G9-G13 PolarHBondContact O-N 3.4Å
10	L	87.3	Confident	78.2	Confident	35 Å²	35	79.3 Å²	79.3	18%	0.183	48%	0.475	C	S	.	.	H	α-helix	trans	-70.2	-38.4	176.7	-71.1	163	0	0	0	112.5	R6 R7 G13 A14 C452 V459	R6-L10 WeakPolarHBondContact O-CD1 3.47Å; R6-L10 WeakPolarHBondContact O-CG 3.3Å; R6-L10 PolarHBondContact O-N 3.45Å; R7-L10 PolarHBondContact O-N 3.08Å; L10-G13 PolarHBondContact O-N 3.31Å; L10-A14 PolarHBondContact O-N 3.35Å; L10-C452 WeakPolarHBondContact O-CB 3.32Å; L10-V459 HydrophobicContact CD1-CB 4.33Å; L10-V459 HydrophobicContact CD1-CG2 3.91Å
11	I	86.6	Confident	78.8	Confident	81 Å²	81	76.3 Å²	76.3	42%	0.415	46%	0.459	S	S	.	.	H	α-helix	trans	-65.4	-46.8	173.9	-66.8	165.6	0	0	0	110.1	R7 C8 G13 A14 V15 Y456	R7-I11 WeakPolarHBondContact O-CG1 3.26Å; R7-I11 PolarHBondContact O-N 3.07Å; C8-I11 PolarHBondContact O-N 2.93Å; I11-G13 VanDerWaalsContact C-N 3.32Å; I11-G13 PolarHBondContact O-N 3.42Å; I11-A14 PolarHBondContact O-N 2.85Å; I11-V15 HydrophobicContact CG2-CG2 4.42Å; I11-V15 WeakPolarHBondContact O-CG2 3.46Å; I11-V15 PolarHBondContact O-N 3.49Å; I11-Y456 HydrophobicContact CD1-CD2 4.24Å; I11-Y456 HydrophobicContact CD1-CE2 3.76Å; I11-Y456 HydrophobicContact CG1-CD2 3.86Å; I11-Y456 HydrophobicContact CG1-CE2 3.88Å
12	A	89.1	Confident	81.3	Confident	53 Å²	53	69.3 Å²	69.3	44%	0.438	43%	0.425	S	S	.	.	H	α-helix	trans	-59.2	-43.4	177.1	0	0	0	0	0	111.6	C8 A14 V15 V16	C8-A12 VanDerWaalsContact O-CB 3.3Å; C8-A12 WeakPolarHBondContact O-CB 3.33Å; C8-A12 PolarHBondContact O-N 2.98Å; A12-A14 PolarHBondContact O-N 2.98Å; A12-V15 PolarHBondContact O-N 3.25Å; A12-V16 VanDerWaalsContact O-CG2 3.32Å; A12-V16 WeakPolarHBondContact O-CG2 3.27Å; A12-V16 PolarHBondContact O-N 3.47Å
13	G	89	Confident	83.4	Confident	19 Å²	19	69.6 Å²	69.6	20%	0.196	41%	0.406	C	S	.	.	H	α-helix	trans	-61.6	-40.5	174.6	0	0	0	0	0	113.2	G9 L10 I11 V16 G17	G9-G13 PolarHBondContact O-N 3.4Å; L10-G13 PolarHBondContact O-N 3.31Å; I11-G13 VanDerWaalsContact C-N 3.32Å; I11-G13 PolarHBondContact O-N 3.42Å; G13-V16 PolarHBondContact O-N 3.12Å; G13-G17 PolarHBondContact O-N 3.35Å
14	A	89.9	Confident	85.4	Confident	11 Å²	11	63.5 Å²	63.5	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-43.9	173.9	0	0	0	0	0	111.6	L10 I11 A12 V16 G17 A18 F449 C452 L453	L10-A14 PolarHBondContact O-N 3.35Å; I11-A14 PolarHBondContact O-N 2.85Å; A12-A14 PolarHBondContact O-N 2.98Å; A14-V16 VanDerWaalsContact C-N 3.35Å; A14-V16 PolarHBondContact O-N 3.42Å; A14-G17 PolarHBondContact O-N 3.42Å; A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 2.95Å; A14-F449 HydrophobicContact CB-CD2 4.19Å; A14-F449 WeakPolarHBondContact O-CD2 3.32Å; A14-C452 HydrophobicContact CB-CB 3.92Å; A14-L453 HydrophobicContact CB-CG 4.36Å
15	V	91.5	Very high	86.9	Confident	80 Å²	80	59.7 Å²	59.7	49%	0.485	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-45	176.2	177.2	0	0	0	0	111.2	I11 A12 A18 L19	I11-V15 HydrophobicContact CG2-CG2 4.42Å; I11-V15 WeakPolarHBondContact O-CG2 3.46Å; I11-V15 PolarHBondContact O-N 3.49Å; A12-V15 PolarHBondContact O-N 3.25Å; V15-A18 PolarHBondContact O-N 3.4Å; V15-L19 HydrophobicContact CG1-CD1 4.07Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CG 3.3Å; V15-L19 PolarHBondContact O-N 3.13Å
16	V	92.6	Very high	87.4	Confident	85 Å²	85	59.3 Å²	59.3	52%	0.515	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-46.6	176.4	171.9	0	0	0	0	111	A12 G13 A14 A18 L19 V20	A12-V16 VanDerWaalsContact O-CG2 3.32Å; A12-V16 WeakPolarHBondContact O-CG2 3.27Å; A12-V16 PolarHBondContact O-N 3.47Å; G13-V16 PolarHBondContact O-N 3.12Å; A14-V16 VanDerWaalsContact C-N 3.35Å; A14-V16 PolarHBondContact O-N 3.42Å; V16-A18 VanDerWaalsContact C-N 3.33Å; V16-A18 PolarHBondContact O-N 2.88Å; V16-L19 PolarHBondContact O-N 2.89Å; V16-V20 HydrophobicContact CG1-CG2 4.37Å; V16-V20 VanDerWaalsContact O-CG2 3.3Å; V16-V20 WeakPolarHBondContact O-CG2 3.09Å; V16-V20 PolarHBondContact O-N 3.29Å
17	G	90.7	Very high	87.7	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-43	176.5	0	0	0	0	0	112.7	G13 A14 V20 A21 G445	G13-G17 PolarHBondContact O-N 3.35Å; A14-G17 PolarHBondContact O-N 3.42Å; G17-V20 PolarHBondContact O-N 3Å; G17-A21 WeakPolarHBondContact O-CB 3.39Å; G17-A21 PolarHBondContact O-N 3.48Å; G17-G445 CarbonylContact C-O 3.39Å; G17-G445 WeakPolarHBondContact CA-O 3.5Å; G17-G445 CarbonylContact O-C 3.57Å; G17-G445 VanDerWaalsContact O-CA 3.31Å; G17-G445 WeakPolarHBondContact O-CA 3.23Å; G17-G445 VanDerWaalsContact O-O 3.12Å
18	A	91.3	Very high	87.8	Confident	28 Å²	28	52.3 Å²	52.3	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-44.3	175.9	0	0	0	0	0	112.2	A14 V15 V16 V20 A21 I22 F449	A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 2.95Å; V15-A18 PolarHBondContact O-N 3.4Å; V16-A18 VanDerWaalsContact C-N 3.33Å; V16-A18 PolarHBondContact O-N 2.88Å; A18-V20 PolarHBondContact O-N 3.1Å; A18-A21 PolarHBondContact O-N 2.77Å; A18-I22 WeakPolarHBondContact O-CB 3.35Å; A18-I22 WeakPolarHBondContact O-CD1 3.4Å; A18-I22 WeakPolarHBondContact O-CG1 3.47Å; A18-I22 PolarHBondContact O-N 2.92Å; A18-F449 HydrophobicContact CB-CD2 3.81Å; A18-F449 HydrophobicContact CB-CE2 3.98Å
19	L	92.4	Very high	87.9	Confident	106 Å²	106	52.7 Å²	52.7	56%	0.555	32%	0.323	S	S	*	.	H	α-helix	trans	-63.3	-40.4	177.1	-71.8	172.2	0	0	0	112.1	V15 V16 I22 L23	V15-L19 HydrophobicContact CG1-CD1 4.07Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CG 3.3Å; V15-L19 PolarHBondContact O-N 3.13Å; V16-L19 PolarHBondContact O-N 2.89Å; L19-I22 PolarHBondContact O-N 2.99Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 PolarHBondContact O-N 3.45Å
20	V	91.2	Very high	87.9	Confident	41 Å²	41	53.3 Å²	53.3	25%	0.248	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-40.2	176.2	173.2	0	0	0	0	111.1	V16 G17 A18 L23 G24 L441	V16-V20 HydrophobicContact CG1-CG2 4.37Å; V16-V20 VanDerWaalsContact O-CG2 3.3Å; V16-V20 WeakPolarHBondContact O-CG2 3.09Å; V16-V20 PolarHBondContact O-N 3.29Å; G17-V20 PolarHBondContact O-N 3Å; A18-V20 PolarHBondContact O-N 3.1Å; V20-L23 PolarHBondContact O-N 2.97Å; V20-G24 PolarHBondContact O-N 3.3Å; V20-L441 HydrophobicContact CG1-CD2 4.22Å; V20-L441 WeakPolarHBondContact CG1-O 3.29Å
21	A	90.6	Very high	87.6	Confident	17 Å²	17	51.8 Å²	51.8	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-41.1	175	0	0	0	0	0	112	G17 A18 G24 G25 L442 I446	G17-A21 WeakPolarHBondContact O-CB 3.39Å; G17-A21 PolarHBondContact O-N 3.48Å; A18-A21 PolarHBondContact O-N 2.77Å; A21-G24 PolarHBondContact O-N 3.22Å; A21-G25 PolarHBondContact O-N 3.03Å; A21-L442 HydrophobicContact CB-CD1 4.4Å; A21-L442 WeakPolarHBondContact O-CD1 3.47Å; A21-I446 HydrophobicContact CB-CG1 4.08Å
22	I	89.9	Confident	87.3	Confident	99 Å²	99	52 Å²	52	51%	0.508	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-44	174.3	-69.8	164.1	0	0	0	110.2	A18 L19 G25 I26	A18-I22 WeakPolarHBondContact O-CB 3.35Å; A18-I22 WeakPolarHBondContact O-CD1 3.4Å; A18-I22 WeakPolarHBondContact O-CG1 3.47Å; A18-I22 PolarHBondContact O-N 2.92Å; L19-I22 PolarHBondContact O-N 2.99Å; I22-G25 PolarHBondContact O-N 3.32Å; I22-I26 HydrophobicContact CG2-CD1 3.71Å; I22-I26 HydrophobicContact CG2-CG1 4.36Å; I22-I26 VanDerWaalsContact O-CG1 3.3Å; I22-I26 WeakPolarHBondContact O-CG1 3.33Å; I22-I26 PolarHBondContact O-N 2.99Å
23	L	87.8	Confident	87.1	Confident	90 Å²	90	55.6 Å²	55.6	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-47.1	175.9	-177.2	68.3	0	0	0	111.4	L19 V20 G25 I26 L27	L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 PolarHBondContact O-N 3.45Å; V20-L23 PolarHBondContact O-N 2.97Å; L23-G25 VanDerWaalsContact C-N 3.31Å; L23-G25 PolarHBondContact O-N 3.48Å; L23-I26 PolarHBondContact O-N 2.98Å; L23-L27 HydrophobicContact CG-CD1 4.07Å; L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 3.23Å
24	G	85.3	Confident	86.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-43.2	174.4	0	0	0	0	0	112	V20 A21 L27 F28	V20-G24 PolarHBondContact O-N 3.3Å; A21-G24 PolarHBondContact O-N 3.22Å; G24-L27 PolarHBondContact O-N 2.95Å; G24-F28 WeakPolarHBondContact O-CD2 3.32Å; G24-F28 PolarHBondContact O-N 3.49Å
25	G	84.5	Confident	86.3	Confident	33 Å²	33	58.8 Å²	58.8	34%	0.34	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-41	175.9	0	0	0	0	0	114	A21 I22 L23 L27 F28 P29	A21-G25 PolarHBondContact O-N 3.03Å; I22-G25 PolarHBondContact O-N 3.32Å; L23-G25 VanDerWaalsContact C-N 3.31Å; L23-G25 PolarHBondContact O-N 3.48Å; G25-L27 VanDerWaalsContact C-N 3.34Å; G25-F28 PolarHBondContact O-N 2.91Å; G25-P29 VanDerWaalsContact O-CD 3.24Å; G25-P29 WeakPolarHBondContact O-CD 3.44Å
26	I	85.8	Confident	86	Confident	95 Å²	95	59.4 Å²	59.4	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-69.5	-34	175.4	-68.8	167.7	0	0	0	111	I22 L23 F28 P29 V30	I22-I26 HydrophobicContact CG2-CD1 3.71Å; I22-I26 HydrophobicContact CG2-CG1 4.36Å; I22-I26 VanDerWaalsContact O-CG1 3.3Å; I22-I26 WeakPolarHBondContact O-CG1 3.33Å; I22-I26 PolarHBondContact O-N 2.99Å; L23-I26 PolarHBondContact O-N 2.98Å; I26-F28 PolarHBondContact O-N 2.98Å; I26-P29 WeakPolarHBondContact O-CD 3.27Å; I26-P29 WeakPolarHBondContact O-CG 3.41Å; I26-V30 HydrophobicContact CG2-CG2 4.14Å; I26-V30 VanDerWaalsContact O-CG2 3.31Å; I26-V30 WeakPolarHBondContact O-CG2 3.31Å; I26-V30 PolarHBondContact O-N 3.09Å
27	L	83.1	Confident	85.7	Confident	53 Å²	53	57.1 Å²	57.1	28%	0.277	32%	0.324	S	S	.	.	H	α-helix	trans	-67.6	-21	179.5	-79.1	167.8	0	0	0	113.2	L23 G24 G25 G31 Q438 L441	L23-L27 HydrophobicContact CG-CD1 4.07Å; L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 3.23Å; G24-L27 PolarHBondContact O-N 2.95Å; G25-L27 VanDerWaalsContact C-N 3.34Å; L27-G31 WeakPolarHBondContact O-CA 3.32Å; L27-G31 PolarHBondContact O-N 3.48Å; L27-Q438 HydrophobicContact CB-CG 3.92Å; L27-Q438 PolarHBondContact O-NE2 3.07Å; L27-L441 HydrophobicContact CD1-CD1 3.47Å; L27-L441 VanDerWaalsContact CD1-CD1 3.47Å
28	F	81.2	Confident	85.4	Confident	60 Å²	60	60 Å²	60	26%	0.263	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-65.3	173.2	-84.4	-81.9	0	0	0	112.2	G24 G25 I26 V30 G31 D32 Q438 Q439 L442	G24-F28 WeakPolarHBondContact O-CD2 3.32Å; G24-F28 PolarHBondContact O-N 3.49Å; G25-F28 PolarHBondContact O-N 2.91Å; I26-F28 PolarHBondContact O-N 2.98Å; F28-V30 VanDerWaalsContact C-N 3.25Å; F28-V30 PolarHBondContact O-N 3.49Å; F28-G31 PolarHBondContact O-N 2.92Å; F28-D32 PolarHBondContact O-N 3.17Å; F28-Q438 HydrophobicContact CD1-CB 4.47Å; F28-Q438 HydrophobicContact CD2-CB 4.3Å; F28-Q438 HydrophobicContact CE1-CB 4.17Å; F28-Q438 HydrophobicContact CE2-CB 3.97Å; F28-Q438 HydrophobicContact CZ-CB 3.91Å; F28-Q439 HydrophobicContact CZ-CG 4.19Å; F28-L442 HydrophobicContact CE2-CB 4.33Å; F28-L442 HydrophobicContact CE2-CD2 3.77Å; F28-L442 HydrophobicContact CZ-CD2 4.41Å
29	P	83.5	Confident	85.1	Confident	81 Å²	81	59 Å²	59	53%	0.526	33%	0.333	S	S	.	.	H	α-helix	trans	-64	-30.5	179.7	25.8	-35	0	0	0	112.8	G25 I26 M33	G25-P29 VanDerWaalsContact O-CD 3.24Å; G25-P29 WeakPolarHBondContact O-CD 3.44Å; I26-P29 WeakPolarHBondContact O-CD 3.27Å; I26-P29 WeakPolarHBondContact O-CG 3.41Å; P29-M33 WeakPolarHBondContact O-CB 3.3Å; P29-M33 PolarHBondContact O-N 3.49Å; P29-M33 VanDerWaalsContact O-N 3.12Å
30	V	83	Confident	85	Confident	52 Å²	52	57 Å²	57	32%	0.315	32%	0.32	S	S	.	.	H	α-helix	trans	-71.1	-40.8	176.3	173.6	0	0	0	0	111.5	I26 F28 M33 I34	I26-V30 HydrophobicContact CG2-CG2 4.14Å; I26-V30 VanDerWaalsContact O-CG2 3.31Å; I26-V30 WeakPolarHBondContact O-CG2 3.31Å; I26-V30 PolarHBondContact O-N 3.09Å; F28-V30 VanDerWaalsContact C-N 3.25Å; F28-V30 PolarHBondContact O-N 3.49Å; V30-M33 PolarHBondContact O-N 3.43Å; V30-I34 HydrophobicContact CG1-CD1 3.93Å; V30-I34 VanDerWaalsContact O-CG1 3.28Å; V30-I34 WeakPolarHBondContact O-CG1 3.3Å; V30-I34 PolarHBondContact O-N 3.3Å
31	G	79.9	Confident	84.8	Confident	3 Å²	3	61.7 Å²	61.7	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-70.2	-40.4	178.1	0	0	0	0	0	111.6	L27 F28 M33 I34 I35	L27-G31 WeakPolarHBondContact O-CA 3.32Å; L27-G31 PolarHBondContact O-N 3.48Å; F28-G31 PolarHBondContact O-N 2.92Å; G31-M33 VanDerWaalsContact C-N 3.27Å; G31-M33 PolarHBondContact O-N 2.91Å; G31-I34 PolarHBondContact O-N 3.45Å; G31-I34 VanDerWaalsContact O-N 3.1Å; G31-I35 WeakPolarHBondContact O-CB 3.33Å; G31-I35 WeakPolarHBondContact O-CD1 3.26Å; G31-I35 VanDerWaalsContact O-CG1 3.25Å; G31-I35 WeakPolarHBondContact O-CG1 3.32Å; G31-I35 PolarHBondContact O-N 3.45Å
32	D	81	Confident	84.6	Confident	86 Å²	86	63.3 Å²	63.3	46%	0.46	34%	0.342	S	S	.	.	H	α-helix	trans	-56.2	-44.3	171.4	-68.6	-12.1	0	0	0	110.7	F28 I34 I35 Q36	F28-D32 PolarHBondContact O-N 3.17Å; D32-I34 PolarHBondContact O-N 3.42Å; D32-I35 PolarHBondContact O-N 2.89Å; D32-Q36 VanDerWaalsContact O-CB 3.24Å; D32-Q36 WeakPolarHBondContact O-CB 3.42Å; D32-Q36 PolarHBondContact O-N 3.5Å
33	M	84.7	Confident	84.6	Confident	127 Å²	127	58.9 Å²	58.9	63%	0.626	32%	0.32	S	S	*	.	H	α-helix	trans	-64.7	-37.3	176	-172.8	-178.5	69.6	0	0	113	P29 V30 G31 G37	P29-M33 WeakPolarHBondContact O-CB 3.3Å; P29-M33 PolarHBondContact O-N 3.49Å; P29-M33 VanDerWaalsContact O-N 3.12Å; V30-M33 PolarHBondContact O-N 3.43Å; G31-M33 VanDerWaalsContact C-N 3.27Å; G31-M33 PolarHBondContact O-N 2.91Å; M33-G37 PolarHBondContact O-N 3.27Å
34	I	82.1	Confident	84.9	Confident	81 Å²	81	55.2 Å²	55.2	42%	0.415	30%	0.301	S	S	.	.	H	α-helix	trans	-69.8	-43.4	176.1	-70.6	166	0	0	0	110.9	V30 G31 D32 G37 T38 L434	V30-I34 HydrophobicContact CG1-CD1 3.93Å; V30-I34 VanDerWaalsContact O-CG1 3.28Å; V30-I34 WeakPolarHBondContact O-CG1 3.3Å; V30-I34 PolarHBondContact O-N 3.3Å; G31-I34 PolarHBondContact O-N 3.45Å; G31-I34 VanDerWaalsContact O-N 3.1Å; D32-I34 PolarHBondContact O-N 3.42Å; I34-G37 PolarHBondContact O-N 2.88Å; I34-T38 VanDerWaalsContact O-CB 3.32Å; I34-T38 WeakPolarHBondContact O-CB 3.27Å; I34-T38 PolarHBondContact O-N 2.92Å; I34-T38 PolarHBondContact O-OG1 2.92Å; I34-L434 HydrophobicContact CG2-CD1 4.32Å
35	I	80.6	Confident	85.4	Confident	16 Å²	16	55.3 Å²	55.3	8%	0.082	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-51.5	176.5	-69.5	158.7	0	0	0	108.4	G31 D32 G37 T38 V39 I431 L434	G31-I35 WeakPolarHBondContact O-CB 3.33Å; G31-I35 WeakPolarHBondContact O-CD1 3.26Å; G31-I35 VanDerWaalsContact O-CG1 3.25Å; G31-I35 WeakPolarHBondContact O-CG1 3.32Å; G31-I35 PolarHBondContact O-N 3.45Å; D32-I35 PolarHBondContact O-N 2.89Å; I35-G37 PolarHBondContact O-N 3.32Å; I35-T38 PolarHBondContact O-N 2.96Å; I35-T38 VanDerWaalsContact O-N 3.15Å; I35-V39 HydrophobicContact CG2-CG2 4.29Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.42Å; I35-V39 PolarHBondContact O-N 3.5Å; I35-I431 HydrophobicContact CD1-CG2 3.94Å; I35-I431 HydrophobicContact CG1-CG1 4.32Å; I35-I431 HydrophobicContact CG1-CG2 4.32Å; I35-I431 HydrophobicContact CG2-CD1 4.02Å; I35-I431 HydrophobicContact CG2-CG1 3.95Å; I35-I431 HydrophobicContact CG2-CG2 4.26Å; I35-L434 HydrophobicContact CD1-CD1 4.44Å; I35-L434 HydrophobicContact CG1-CD1 3.9Å
36	Q	85.8	Confident	85.8	Confident	94 Å²	94	56.2 Å²	56.2	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-55.6	-53.5	178.4	-176.9	172.2	-5.5	0	0	111.1	D32 T38 V39 E40 F250	D32-Q36 VanDerWaalsContact O-CB 3.24Å; D32-Q36 WeakPolarHBondContact O-CB 3.42Å; D32-Q36 PolarHBondContact O-N 3.5Å; Q36-T38 VanDerWaalsContact C-N 3.27Å; Q36-T38 PolarHBondContact O-N 2.88Å; Q36-V39 PolarHBondContact O-N 3.49Å; Q36-E40 HydrophobicContact CG-CG 4.23Å; Q36-E40 VanDerWaalsContact CG-OE1 3.25Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.48Å; Q36-E40 PolarHBondContact NE2-OE1 3.36Å; Q36-E40 WeakPolarHBondContact O-CB 3.47Å; Q36-E40 VanDerWaalsContact O-CG 3.23Å; Q36-E40 WeakPolarHBondContact O-CG 3.42Å; Q36-E40 PolarHBondContact O-N 2.96Å; Q36-F250 HydrophobicContact CB-CZ 4.14Å; Q36-F250 HydrophobicContact CG-CE2 3.93Å; Q36-F250 HydrophobicContact CG-CZ 3.79Å
37	G	85.3	Confident	86.2	Confident	36 Å²	36	55.9 Å²	55.9	37%	0.371	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-28.1	179.5	0	0	0	0	0	114.5	M33 I34 I35 K41	M33-G37 PolarHBondContact O-N 3.27Å; I34-G37 PolarHBondContact O-N 2.88Å; I35-G37 PolarHBondContact O-N 3.32Å; G37-K41 WeakPolarHBondContact O-CB 3.37Å; G37-K41 PolarHBondContact O-N 3.29Å
38	T	84	Confident	86.3	Confident	62 Å²	62	56.5 Å²	56.5	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-73.6	-46.8	175.6	-58	0	0	0	0	110.9	I34 I35 Q36 K41 E42	I34-T38 VanDerWaalsContact O-CB 3.32Å; I34-T38 WeakPolarHBondContact O-CB 3.27Å; I34-T38 PolarHBondContact O-N 2.92Å; I34-T38 PolarHBondContact O-OG1 2.92Å; I35-T38 PolarHBondContact O-N 2.96Å; I35-T38 VanDerWaalsContact O-N 3.15Å; Q36-T38 VanDerWaalsContact C-N 3.27Å; Q36-T38 PolarHBondContact O-N 2.88Å; T38-K41 PolarHBondContact O-N 2.87Å; T38-E42 HydrophobicContact CG2-CG 4.42Å; T38-E42 WeakPolarHBondContact O-CG 3.48Å; T38-E42 PolarHBondContact O-N 3.31Å
39	V	85.8	Confident	86.6	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-46.5	177.3	173.9	0	0	0	0	110	I35 Q36 K41 E42 A43 P249 F250 T369 I431	I35-V39 HydrophobicContact CG2-CG2 4.29Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.42Å; I35-V39 PolarHBondContact O-N 3.5Å; Q36-V39 PolarHBondContact O-N 3.49Å; V39-K41 PolarHBondContact O-N 3.43Å; V39-E42 PolarHBondContact O-N 2.92Å; V39-A43 WeakPolarHBondContact O-CB 3.21Å; V39-A43 PolarHBondContact O-N 3.49Å; V39-P249 HydrophobicContact CG1-CB 3.77Å; V39-P249 HydrophobicContact CG1-CG 4.48Å; V39-F250 HydrophobicContact CB-CE1 4.37Å; V39-F250 HydrophobicContact CB-CZ 3.79Å; V39-F250 HydrophobicContact CG1-CE1 4.24Å; V39-F250 HydrophobicContact CG1-CE2 4.3Å; V39-F250 HydrophobicContact CG1-CZ 3.74Å; V39-F250 HydrophobicContact CG2-CZ 4.42Å; V39-T369 HydrophobicContact CG2-CG2 3.96Å; V39-I431 HydrophobicContact CG2-CD1 4.45Å
40	E	89.1	Confident	86.6	Confident	64 Å²	64	51.8 Å²	51.8	30%	0.299	30%	0.295	S	S	.	.	H	α-helix	trans	-58.1	-34.4	178	-72	178.8	177.7	0	0	112.2	Q36 V44 I213 F250	Q36-E40 HydrophobicContact CG-CG 4.23Å; Q36-E40 VanDerWaalsContact CG-OE1 3.25Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.48Å; Q36-E40 PolarHBondContact NE2-OE1 3.36Å; Q36-E40 WeakPolarHBondContact O-CB 3.47Å; Q36-E40 VanDerWaalsContact O-CG 3.23Å; Q36-E40 WeakPolarHBondContact O-CG 3.42Å; Q36-E40 PolarHBondContact O-N 2.96Å; E40-V44 VanDerWaalsContact O-CG2 3.24Å; E40-V44 WeakPolarHBondContact O-CG2 3.3Å; E40-I213 HydrophobicContact CB-CG1 4.4Å; E40-I213 HydrophobicContact CG-CB 4.44Å; E40-I213 HydrophobicContact CG-CG1 4.31Å; E40-I213 HydrophobicContact CG-CG2 4Å; E40-I213 WeakPolarHBondContact O-CD1 3.34Å; E40-F250 HydrophobicContact CG-CE2 4.03Å
41	K	87.3	Confident	86.8	Confident	138 Å²	138	49.6 Å²	49.6	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-76.1	-45.9	176.7	-172.2	-173.8	176.3	-167.3	0	113	G37 T38 V39 A43	G37-K41 WeakPolarHBondContact O-CB 3.37Å; G37-K41 PolarHBondContact O-N 3.29Å; T38-K41 PolarHBondContact O-N 2.87Å; V39-K41 PolarHBondContact O-N 3.43Å; K41-A43 VanDerWaalsContact C-N 3.31Å
42	E	86.8	Confident	87.3	Confident	51 Å²	51	51.3 Å²	51.3	24%	0.238	29%	0.288	C	S	.	.	H	α-helix	trans	-77.3	-17.5	-177.2	-67.2	-62.8	157.9	0	0	113.2	T38 V39 T50 A51	T38-E42 HydrophobicContact CG2-CG 4.42Å; T38-E42 WeakPolarHBondContact O-CG 3.48Å; T38-E42 PolarHBondContact O-N 3.31Å; V39-E42 PolarHBondContact O-N 2.92Å; E42-T50 PolarHBondContact OE2-N 3.41Å; E42-A51 VanDerWaalsContact O-CB 3.27Å; E42-A51 WeakPolarHBondContact O-CB 3.29Å; E42-A51 PolarHBondContact O-N 2.88Å; E42-A51 VanDerWaalsContact O-N 3.11Å
43	A	89.6	Confident	87.6	Confident	7 Å²	7	52.5 Å²	52.5	6%	0.058	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-16	177.5	0	0	0	0	0	113.6	V39 K41 I45 A51 I213 V216 P249	V39-A43 WeakPolarHBondContact O-CB 3.21Å; V39-A43 PolarHBondContact O-N 3.49Å; K41-A43 VanDerWaalsContact C-N 3.31Å; A43-I45 PolarHBondContact O-N 3.39Å; A43-A51 VanDerWaalsContact O-CB 3.25Å; A43-A51 WeakPolarHBondContact O-CB 3.45Å; A43-I213 HydrophobicContact CB-CD1 3.96Å; A43-V216 WeakPolarHBondContact O-CG2 3.46Å; A43-P249 HydrophobicContact CB-CG 4.4Å
44	V	94.6	Very high	87.5	Confident	12 Å²	12	49.3 Å²	49.3	7%	0.073	28%	0.277	C	S	.	.	S	Bend	trans	-62.1	134.6	177.1	-177.6	0	0	0	0	110	E40 E46 T49 T208 K210 I213	E40-V44 VanDerWaalsContact O-CG2 3.24Å; E40-V44 WeakPolarHBondContact O-CG2 3.3Å; V44-E46 VanDerWaalsContact C-N 3.3Å; V44-E46 HydrophobicContact CB-CG 4.18Å; V44-E46 HydrophobicContact CG1-CB 4.12Å; V44-E46 HydrophobicContact CG1-CG 3.78Å; V44-E46 PolarHBondContact O-N 2.93Å; V44-T49 WeakPolarHBondContact O-CB 3.31Å; V44-T49 PolarHBondContact O-OG1 2.88Å; V44-T208 WeakPolarHBondContact CA-O 3.18Å; V44-T208 WeakPolarHBondContact CG1-O 3.37Å; V44-K210 HydrophobicContact CG1-CB 3.99Å; V44-I213 HydrophobicContact CG2-CD1 4.19Å
45	I	95.1	Very high	87.9	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	26%	0.26	C	S	.	.			trans	-78.4	85.2	172.3	-55.7	169.9	0	0	0	108	A43 Y52 W55 F106 V112 V206 T208 V216	A43-I45 PolarHBondContact O-N 3.39Å; I45-Y52 HydrophobicContact CG2-CD2 4.08Å; I45-W55 HydrophobicContact CD1-CG 4.42Å; I45-W55 HydrophobicContact CG2-CD2 3.78Å; I45-W55 HydrophobicContact CG2-CE3 3.72Å; I45-W55 HydrophobicContact CG2-CG 4.28Å; I45-W55 HydrophobicContact CG2-CH2 4.34Å; I45-W55 HydrophobicContact CG2-CZ2 4.37Å; I45-W55 HydrophobicContact CG2-CZ3 4.02Å; I45-F106 WeakPolarHBondContact O-CE1 3.33Å; I45-V112 HydrophobicContact CG2-CG1 4.03Å; I45-V206 HydrophobicContact CD1-CG2 4.4Å; I45-T208 PolarHBondContact N-O 3.11Å; I45-T208 WeakPolarHBondContact O-CB 3.39Å; I45-V216 HydrophobicContact CD1-CG2 4.04Å; I45-V216 HydrophobicContact CG1-CG2 3.87Å
46	E	93.9	Very high	88.4	Confident	52 Å²	52	46.2 Å²	46.2	24%	0.243	26%	0.262	C	S	.	.	S	Bend	trans	-145.5	148.7	172.7	65.4	177.5	-164.1	0	0	111.7	V44 G48 T49 Y52 K210	V44-E46 VanDerWaalsContact C-N 3.3Å; V44-E46 HydrophobicContact CB-CG 4.18Å; V44-E46 HydrophobicContact CG1-CB 4.12Å; V44-E46 HydrophobicContact CG1-CG 3.78Å; V44-E46 PolarHBondContact O-N 2.93Å; E46-G48 PolarHBondContact O-N 3.25Å; E46-T49 HydrophobicContact CG-CG2 3.51Å; E46-T49 PolarHBondContact O-N 2.94Å; E46-T49 PolarHBondContact O-OG1 3.41Å; E46-Y52 WeakPolarHBondContact O-CB 3.38Å; E46-K210 IonicContact OE2-NZ 3.44Å; E46-K210 PolarHBondContact OE2-NZ 2.86Å
47	P	93.4	Very high	88.4	Confident	87 Å²	87	44.3 Å²	44.3	57%	0.565	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	129.4	-176.4	-26.3	36	0	0	0	112.7	Y52 F106	P47-Y52 HydrophobicContact CB-CD1 4.45Å; P47-Y52 HydrophobicContact CB-CE1 4.31Å; P47-Y52 HydrophobicContact CG-CE1 4.42Å; P47-Y52 HydrophobicContact CG-CE2 4.31Å; P47-F106 HydrophobicContact CG-CE2 3.87Å; P47-F106 HydrophobicContact CG-CZ 4.07Å
48	G	86.4	Confident	88	Confident	66 Å²	66	45.8 Å²	45.8	68%	0.68	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	-1.8	-179	0	0	0	0	0	115.7	E46	E46-G48 PolarHBondContact O-N 3.25Å
49	T	87.6	Confident	87.5	Confident	10 Å²	10	45.6 Å²	45.6	6%	0.061	28%	0.281	C	S	.	.	S	Bend	trans	-91.2	153.9	170.8	59	0	0	0	0	111.7	V44 E46 A51 Y52 E53	V44-T49 WeakPolarHBondContact O-CB 3.31Å; V44-T49 PolarHBondContact O-OG1 2.88Å; E46-T49 HydrophobicContact CG-CG2 3.51Å; E46-T49 PolarHBondContact O-N 2.94Å; E46-T49 PolarHBondContact O-OG1 3.41Å; T49-A51 VanDerWaalsContact C-N 3.25Å; T49-A51 PolarHBondContact O-N 2.85Å; T49-Y52 PolarHBondContact O-N 3.37Å; T49-Y52 VanDerWaalsContact OG1-CB 3.27Å; T49-Y52 WeakPolarHBondContact OG1-CB 3.31Å; T49-Y52 PolarHBondContact OG1-N 3.34Å; T49-Y52 VanDerWaalsContact OG1-N 3.12Å; T49-E53 PolarHBondContact O-N 3.39Å
50	T	82.3	Confident	87.4	Confident	32 Å²	32	46.7 Å²	46.7	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-36.4	172.6	-60.6	0	0	0	0	112.3	E42 N54	E42-T50 PolarHBondContact OE2-N 3.41Å; T50-N54 PolarHBondContact O-N 2.91Å; T50-N54 PolarHBondContact O-ND2 3.39Å
51	A	86.6	Confident	87.4	Confident	6 Å²	6	49.4 Å²	49.4	5%	0.05	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-45	177.4	0	0	0	0	0	112.7	E42 A43 T49 W55 F372	E42-A51 VanDerWaalsContact O-CB 3.27Å; E42-A51 WeakPolarHBondContact O-CB 3.29Å; E42-A51 PolarHBondContact O-N 2.88Å; E42-A51 VanDerWaalsContact O-N 3.11Å; A43-A51 VanDerWaalsContact O-CB 3.25Å; A43-A51 WeakPolarHBondContact O-CB 3.45Å; T49-A51 VanDerWaalsContact C-N 3.25Å; T49-A51 PolarHBondContact O-N 2.85Å; A51-W55 WeakPolarHBondContact O-CB 3.24Å; A51-W55 PolarHBondContact O-N 3.35Å; A51-F372 HydrophobicContact CB-CE1 4.35Å; A51-F372 HydrophobicContact CB-CZ 4Å
52	Y	91.4	Very high	87.7	Confident	40 Å²	40	43.3 Å²	43.3	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-44.8	-179.4	176.4	-94.4	0	0	0	112.8	I45 E46 P47 T49 N54 W55 A56 I104 F106	I45-Y52 HydrophobicContact CG2-CD2 4.08Å; E46-Y52 WeakPolarHBondContact O-CB 3.38Å; P47-Y52 HydrophobicContact CB-CD1 4.45Å; P47-Y52 HydrophobicContact CB-CE1 4.31Å; P47-Y52 HydrophobicContact CG-CE1 4.42Å; P47-Y52 HydrophobicContact CG-CE2 4.31Å; T49-Y52 PolarHBondContact O-N 3.37Å; T49-Y52 VanDerWaalsContact OG1-CB 3.27Å; T49-Y52 WeakPolarHBondContact OG1-CB 3.31Å; T49-Y52 PolarHBondContact OG1-N 3.34Å; T49-Y52 VanDerWaalsContact OG1-N 3.12Å; Y52-N54 PolarHBondContact O-N 2.95Å; Y52-W55 AromaticContact CD2-CE3 3.98Å; Y52-W55 HydrophobicContact CD2-CE3 3.98Å; Y52-W55 HydrophobicContact CD2-CZ3 4.09Å; Y52-W55 HydrophobicContact CE2-CE3 4.14Å; Y52-W55 AromaticContact CE2-CZ3 3.86Å; Y52-W55 HydrophobicContact CE2-CZ3 3.86Å; Y52-W55 PolarHBondContact O-N 2.87Å; Y52-A56 HydrophobicContact CE1-CB 4.33Å; Y52-A56 VanDerWaalsContact O-CB 3.27Å; Y52-A56 WeakPolarHBondContact O-CB 3.44Å; Y52-A56 PolarHBondContact O-N 2.86Å; Y52-I104 HydrophobicContact CE2-CG2 4.37Å; Y52-F106 AromaticContact CD2-CZ 3.9Å; Y52-F106 HydrophobicContact CD2-CZ 3.9Å; Y52-F106 AromaticContact CE2-CE2 3.93Å; Y52-F106 HydrophobicContact CE2-CE2 3.93Å; Y52-F106 AromaticContact CE2-CZ 3.57Å; Y52-F106 HydrophobicContact CE2-CZ 3.57Å
53	E	86.4	Confident	88.2	Confident	110 Å²	110	43 Å²	43	51%	0.514	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-46.3	-178.8	-62	-57	146.1	0	0	111.1	T49 A57	T49-E53 PolarHBondContact O-N 3.39Å; E53-A57 PolarHBondContact O-N 3.31Å
54	N	84.4	Confident	88.6	Confident	60 Å²	60	43 Å²	43	32%	0.321	27%	0.271	S	S	.	.	H	α-helix	trans	-69.5	-33.9	176.8	-72.5	-61.3	0	0	0	112.9	T50 Y52 A57 A58	T50-N54 PolarHBondContact O-N 2.91Å; T50-N54 PolarHBondContact O-ND2 3.39Å; Y52-N54 PolarHBondContact O-N 2.95Å; N54-A57 CarbonylContact O-C 3.59Å; N54-A58 WeakPolarHBondContact O-CA 3.19Å; N54-A58 PolarHBondContact O-N 2.86Å
55	W	89.8	Confident	88.7	Confident	20 Å²	20	44.1 Å²	44.1	8%	0.076	28%	0.275	C	S	.	.	H	α-helix	trans	-71.1	-45.3	178.7	170.7	91.4	0	0	0	111.5	I45 A51 Y52 K101 I104 V112 F114 V206	I45-W55 HydrophobicContact CD1-CG 4.42Å; I45-W55 HydrophobicContact CG2-CD2 3.78Å; I45-W55 HydrophobicContact CG2-CE3 3.72Å; I45-W55 HydrophobicContact CG2-CG 4.28Å; I45-W55 HydrophobicContact CG2-CH2 4.34Å; I45-W55 HydrophobicContact CG2-CZ2 4.37Å; I45-W55 HydrophobicContact CG2-CZ3 4.02Å; A51-W55 WeakPolarHBondContact O-CB 3.24Å; A51-W55 PolarHBondContact O-N 3.35Å; Y52-W55 AromaticContact CD2-CE3 3.98Å; Y52-W55 HydrophobicContact CD2-CE3 3.98Å; Y52-W55 HydrophobicContact CD2-CZ3 4.09Å; Y52-W55 HydrophobicContact CE2-CE3 4.14Å; Y52-W55 AromaticContact CE2-CZ3 3.86Å; Y52-W55 HydrophobicContact CE2-CZ3 3.86Å; Y52-W55 PolarHBondContact O-N 2.87Å; W55-K101 HydrophobicContact CD2-CD 3.88Å; W55-K101 HydrophobicContact CE3-CD 4.25Å; W55-K101 HydrophobicContact CG-CD 4.44Å; W55-K101 HydrophobicContact CH2-CD 4.14Å; W55-K101 HydrophobicContact CZ2-CD 3.77Å; W55-K101 HydrophobicContact CZ3-CD 4.37Å; W55-K101 VanDerWaalsContact O-CD 3.31Å; W55-K101 WeakPolarHBondContact O-CD 3.28Å; W55-K101 WeakPolarHBondContact O-CE 3.25Å; W55-K101 PolarHBondContact O-NZ 2.83Å; W55-I104 HydrophobicContact CH2-CD1 4.42Å; W55-I104 HydrophobicContact CH2-CG1 4.27Å; W55-I104 HydrophobicContact CH2-CG2 4.06Å; W55-I104 HydrophobicContact CZ3-CD1 3.89Å; W55-I104 HydrophobicContact CZ3-CG1 4.21Å; W55-I104 HydrophobicContact CZ3-CG2 3.98Å; W55-V112 HydrophobicContact CH2-CG1 3.96Å; W55-V112 HydrophobicContact CH2-CG2 3.81Å; W55-V112 HydrophobicContact CZ2-CG1 3.96Å; W55-V112 HydrophobicContact CZ3-CG2 4.48Å; W55-F114 HydrophobicContact CH2-CB 4.24Å; W55-F114 AromaticContact CH2-CD1 3.97Å; W55-F114 HydrophobicContact CH2-CD1 3.97Å; W55-F114 HydrophobicContact CH2-CG 4.2Å; W55-F114 HydrophobicContact CZ2-CB 4.41Å; W55-F114 AromaticContact CZ2-CD1 3.38Å; W55-F114 HydrophobicContact CZ2-CD1 3.38Å; W55-F114 AromaticContact CZ2-CE1 3.62Å; W55-F114 HydrophobicContact CZ2-CE1 3.62Å; W55-F114 AromaticContact CZ2-CG 3.88Å; W55-F114 HydrophobicContact CZ2-CG 3.88Å; W55-F114 HydrophobicContact CZ2-CZ 4.31Å; W55-V206 HydrophobicContact CZ2-CG2 4.32Å
56	A	90.2	Very high	88.9	Confident	13 Å²	13	44 Å²	44	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-42.6	-176.9	0	0	0	0	0	111.5	Y52 A100 K101 I104	Y52-A56 HydrophobicContact CE1-CB 4.33Å; Y52-A56 VanDerWaalsContact O-CB 3.27Å; Y52-A56 WeakPolarHBondContact O-CB 3.44Å; Y52-A56 PolarHBondContact O-N 2.86Å; A56-A100 WeakPolarHBondContact O-CA 3.29Å; A56-K101 PolarHBondContact O-N 3.49Å; A56-I104 HydrophobicContact CB-CD1 4.04Å
57	A	86.1	Confident	89.2	Confident	54 Å²	54	43 Å²	43	45%	0.446	27%	0.269	S	S	.	.	S	Bend	trans	-140.1	101.4	176.8	0	0	0	0	0	110.4	E53 N54 G59 A100	E53-A57 PolarHBondContact O-N 3.31Å; N54-A57 CarbonylContact O-C 3.59Å; A57-G59 PolarHBondContact O-N 2.9Å; A57-A100 HydrophobicContact CB-CB 3.91Å
58	A	77.3	Confident	89.4	Confident	66 Å²	66	38.9 Å²	38.9	55%	0.545	24%	0.242	S	C	.	.			trans	-64.6	125.8	178.6	0	0	0	0	0	110.8	N54 A60	N54-A58 WeakPolarHBondContact O-CA 3.19Å; N54-A58 PolarHBondContact O-N 2.86Å; A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 3.3Å
59	G	74.1	Confident	90	Very high	58 Å²	58	35.8 Å²	35.8	60%	0.598	21%	0.21	S	C	*	.			trans	-71.6	-23.6	175.3	0	0	0	0	0	113.7	A57	A57-G59 PolarHBondContact O-N 2.9Å
60	A	82.5	Confident	90.5	Very high	31 Å²	31	36.4 Å²	36.4	26%	0.256	21%	0.212	S	C	.	.	S	Bend	trans	-73.8	133.9	-178.3	0	0	0	0	0	111.9	A58 V62 A413	A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 3.3Å; A60-V62 PolarHBondContact O-N 2.85Å; A60-A413 HydrophobicContact CB-CB 4.37Å
61	K	89.9	Confident	91.3	Very high	122 Å²	122	35 Å²	35	53%	0.53	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-74.5	120.5	172.9	-59.8	-172.7	-177.4	178.1	0	109.8	Y63 M95	K61-Y63 HydrophobicContact CB-CE2 3.82Å; K61-Y63 WeakPolarHBondContact CD-OH 3.22Å; K61-M95 HydrophobicContact CB-CE 3.99Å; K61-M95 HydrophobicContact CD-CE 3.98Å; K61-M95 HydrophobicContact CG-CE 3.7Å
62	V	93.4	Very high	91.9	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.7	175.4	-174.6	0	0	0	0	108.9	A60 T96 R97 F376 E411 T412 A413	A60-V62 PolarHBondContact O-N 2.85Å; V62-T96 PolarHBondContact O-N 3.34Å; V62-T96 VanDerWaalsContact O-O 3.06Å; V62-T96 PolarHBondContact O-OG1 3.04Å; V62-R97 HydrophobicContact CB-CB 4.04Å; V62-R97 HydrophobicContact CB-CG 4.47Å; V62-R97 HydrophobicContact CG1-CG 4.41Å; V62-R97 HydrophobicContact CG2-CB 3.93Å; V62-R97 HydrophobicContact CG2-CG 4.5Å; V62-F376 HydrophobicContact CG1-CZ 4.17Å; V62-E411 HydrophobicContact CG1-CG 3.6Å; V62-T412 WeakPolarHBondContact CA-O 3.28Å; V62-A413 HydrophobicContact CB-CB 4.48Å; V62-A413 HydrophobicContact CG2-CB 3.94Å
63	Y	96.6	Very high	92.2	Very high	45 Å²	45	37.4 Å²	37.4	18%	0.176	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.5	173.9	-64.5	-78.2	0	0	0	110.2	K61 T93 Y94 M95 E123 M126 E411 T412	K61-Y63 HydrophobicContact CB-CE2 3.82Å; K61-Y63 WeakPolarHBondContact CD-OH 3.22Å; Y63-T93 HydrophobicContact CD1-CG2 4Å; Y63-T93 HydrophobicContact CG-CG2 4.47Å; Y63-Y94 CarbonylContact C-O 3.5Å; Y63-Y94 WeakPolarHBondContact CA-O 3.4Å; Y63-M95 HydrophobicContact CD1-CB 4.19Å; Y63-M95 HydrophobicContact CE1-CB 4.04Å; Y63-M95 HydrophobicContact CE1-CG 4.27Å; Y63-E123 HydrophobicContact CD1-CG 4.45Å; Y63-E123 HydrophobicContact CE1-CG 4.1Å; Y63-M126 HydrophobicContact CD1-SD 4.39Å; Y63-M126 HydrophobicContact CE1-SD 4.02Å; Y63-M126 HydrophobicContact CG-CE 4.48Å; Y63-E411 CarbonylContact O-C 3.54Å; Y63-E411 WeakPolarHBondContact O-CA 3.3Å; Y63-T412 PolarHBondContact N-O 3.28Å; Y63-T412 PolarHBondContact O-N 3.43Å
64	R	97.8	Very high	92.7	Very high	8 Å²	8	33.8 Å²	33.8	3%	0.03	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.9	170	-169.6	179.9	-68.8	177.1	-4.7	108.8	F66 Y94 T96 Y196 L409 N410 E411	R64-F66 HydrophobicContact CG-CE1 4.12Å; R64-F66 HydrophobicContact CG-CE2 4.12Å; R64-F66 HydrophobicContact CG-CZ 3.75Å; R64-Y94 PolarHBondContact N-O 2.93Å; R64-Y94 PolarHBondContact O-N 3.26Å; R64-T96 HydrophobicContact CB-CG2 3.75Å; R64-Y196 PolarHBondContact NH1-OH 3.34Å; R64-L409 HydrophobicContact CG-CB 4.33Å; R64-L409 HydrophobicContact CG-CD1 4.43Å; R64-N410 WeakPolarHBondContact CA-O 3.31Å; R64-E411 HydrophobicContact CG-CB 4.4Å; R64-E411 IonicContact CZ-OE2 2.93Å; R64-E411 IonicContact NE-OE2 3.03Å; R64-E411 PolarHBondContact NE-OE2 3.41Å; R64-E411 IonicContact NH2-OE2 2.84Å; R64-E411 PolarHBondContact NH2-OE2 3.2Å
65	Q	98.5	Very high	93.3	Very high	34 Å²	34	36.7 Å²	36.7	16%	0.159	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.3	-178.8	-55.8	179.9	-64.1	0	0	109.3	W67 P91 Y92 T93 L409 N410	Q65-W67 HydrophobicContact CB-CE3 4.25Å; Q65-W67 HydrophobicContact CB-CH2 3.55Å; Q65-W67 HydrophobicContact CB-CZ3 3.36Å; Q65-W67 HydrophobicContact CG-CH2 4.38Å; Q65-W67 WeakPolarHBondContact O-CZ3 3.34Å; Q65-P91 HydrophobicContact CB-CB 3.93Å; Q65-P91 HydrophobicContact CG-CB 4.44Å; Q65-Y92 WeakPolarHBondContact CA-O 3.33Å; Q65-T93 HydrophobicContact CG-CG2 4.01Å; Q65-T93 PolarHBondContact NE2-OG1 3.37Å; Q65-L409 CarbonylContact O-C 3.54Å; Q65-L409 WeakPolarHBondContact O-CA 3.31Å; Q65-N410 HydrophobicContact CB-CB 4.35Å; Q65-N410 PolarHBondContact N-O 3.39Å; Q65-N410 PolarHBondContact O-N 2.88Å; Q65-N410 PolarHBondContact OE1-ND2 3.35Å; Q65-N410 VanDerWaalsContact OE1-ND2 3.1Å
66	F	98.7	Very high	93.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.7	-179.4	-60.7	-78.9	0	0	0	112.1	R64 L68 P91 Y92 Y94 L178 W179 F193 V407 L409	R64-F66 HydrophobicContact CG-CE1 4.12Å; R64-F66 HydrophobicContact CG-CE2 4.12Å; R64-F66 HydrophobicContact CG-CZ 3.75Å; F66-L68 HydrophobicContact CB-CD1 4.38Å; F66-P91 CarbonylContact O-C 3.4Å; F66-P91 WeakPolarHBondContact O-CA 3.45Å; F66-Y92 PolarHBondContact N-O 3.45Å; F66-Y92 PolarHBondContact O-N 2.85Å; F66-Y94 AromaticContact CD2-CD2 3.66Å; F66-Y94 HydrophobicContact CD2-CD2 3.66Å; F66-Y94 AromaticContact CD2-CE2 3.83Å; F66-Y94 HydrophobicContact CD2-CE2 3.83Å; F66-Y94 AromaticContact CE2-CD2 3.58Å; F66-Y94 HydrophobicContact CE2-CD2 3.58Å; F66-Y94 AromaticContact CE2-CE2 3.99Å; F66-Y94 HydrophobicContact CE2-CE2 3.99Å; F66-Y94 HydrophobicContact CE2-CG 4.36Å; F66-L178 HydrophobicContact CB-CD1 4.47Å; F66-L178 HydrophobicContact CB-CD2 4.38Å; F66-L178 HydrophobicContact CD1-CD2 3.88Å; F66-L178 HydrophobicContact CD2-CD1 3.73Å; F66-L178 HydrophobicContact CD2-CD2 4.23Å; F66-L178 HydrophobicContact CE1-CD2 4.14Å; F66-L178 HydrophobicContact CE2-CD1 4.09Å; F66-L178 HydrophobicContact CE2-CD2 4.46Å; F66-L178 HydrophobicContact CG-CD1 4.11Å; F66-L178 HydrophobicContact CG-CD2 3.91Å; F66-L178 HydrophobicContact CZ-CD2 4.4Å; F66-W179 HydrophobicContact CE2-CH2 4.24Å; F66-W179 HydrophobicContact CE2-CZ2 4.25Å; F66-W179 HydrophobicContact CZ-CH2 4.27Å; F66-F193 HydrophobicContact CD1-CE2 4.07Å; F66-F193 HydrophobicContact CE1-CD2 4.05Å; F66-F193 AromaticContact CE1-CE2 3.38Å; F66-F193 HydrophobicContact CE1-CE2 3.38Å; F66-F193 AromaticContact CE1-CZ 3.79Å; F66-F193 HydrophobicContact CE1-CZ 3.79Å; F66-F193 HydrophobicContact CZ-CD2 4.31Å; F66-F193 HydrophobicContact CZ-CE2 4.08Å; F66-V407 HydrophobicContact CB-CG2 4.02Å; F66-V407 HydrophobicContact CD1-CG2 3.96Å; F66-V407 HydrophobicContact CG-CG2 4.46Å; F66-L409 HydrophobicContact CD1-CB 3.78Å; F66-L409 HydrophobicContact CE1-CB 3.9Å; F66-L409 HydrophobicContact CE1-CD2 4.14Å
67	W	98.8	Very high	94	Very high	31 Å²	31	40.3 Å²	40.3	12%	0.117	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.1	169.8	-72	-103.4	0	0	0	109.1	Q65 E88 R89 P91 V407 W408 N410	Q65-W67 HydrophobicContact CB-CE3 4.25Å; Q65-W67 HydrophobicContact CB-CH2 3.55Å; Q65-W67 HydrophobicContact CB-CZ3 3.36Å; Q65-W67 HydrophobicContact CG-CH2 4.38Å; Q65-W67 WeakPolarHBondContact O-CZ3 3.34Å; W67-E88 HydrophobicContact CB-CG 3.75Å; W67-E88 VanDerWaalsContact CD1-OE1 3.25Å; W67-E88 HydrophobicContact CG-CG 4.08Å; W67-R89 CarbonylContact C-O 3.53Å; W67-R89 WeakPolarHBondContact CA-O 3.49Å; W67-P91 HydrophobicContact CD2-CB 4.27Å; W67-P91 HydrophobicContact CH2-CB 3.92Å; W67-P91 HydrophobicContact CZ2-CB 3.57Å; W67-P91 HydrophobicContact CZ2-CG 4Å; W67-P91 HydrophobicContact CZ3-CB 4.41Å; W67-V407 CarbonylContact O-C 3.59Å; W67-V407 VanDerWaalsContact O-CA 3.3Å; W67-V407 WeakPolarHBondContact O-CA 3.46Å; W67-V407 WeakPolarHBondContact O-CG2 3.24Å; W67-W408 HydrophobicContact CB-CD2 4.15Å; W67-W408 HydrophobicContact CB-CG 4.22Å; W67-W408 HydrophobicContact CB-CZ2 3.99Å; W67-W408 HydrophobicContact CD2-CD2 4.33Å; W67-W408 AromaticContact CD2-CE2 3.66Å; W67-W408 AromaticContact CD2-CH2 3.58Å; W67-W408 HydrophobicContact CD2-CH2 3.58Å; W67-W408 AromaticContact CD2-CZ2 3.23Å; W67-W408 HydrophobicContact CD2-CZ2 3.23Å; W67-W408 HydrophobicContact CD2-CZ3 4.27Å; W67-W408 AromaticContact CE2-CH2 3.83Å; W67-W408 AromaticContact CE2-CZ2 3.64Å; W67-W408 AromaticContact CE3-CD2 3.92Å; W67-W408 HydrophobicContact CE3-CD2 3.92Å; W67-W408 AromaticContact CE3-CE2 3.71Å; W67-W408 AromaticContact CE3-CE3 3.83Å; W67-W408 HydrophobicContact CE3-CE3 3.83Å; W67-W408 AromaticContact CE3-CH2 3.3Å; W67-W408 HydrophobicContact CE3-CH2 3.3Å; W67-W408 AromaticContact CE3-CZ2 3.4Å; W67-W408 HydrophobicContact CE3-CZ2 3.4Å; W67-W408 VanDerWaalsContact CE3-CZ2 3.4Å; W67-W408 AromaticContact CE3-CZ3 3.55Å; W67-W408 HydrophobicContact CE3-CZ3 3.55Å; W67-W408 HydrophobicContact CG-CD2 4.48Å; W67-W408 AromaticContact CG-CE2 3.62Å; W67-W408 HydrophobicContact CG-CH2 4.35Å; W67-W408 AromaticContact CG-CZ2 3.54Å; W67-W408 HydrophobicContact CG-CZ2 3.54Å; W67-W408 AromaticContact CG-NE1 3.75Å; W67-W408 AromaticContact CH2-CH2 3.63Å; W67-W408 HydrophobicContact CH2-CH2 3.63Å; W67-W408 HydrophobicContact CH2-CZ2 4.28Å; W67-W408 HydrophobicContact CH2-CZ3 4.14Å; W67-W408 AromaticContact CZ2-CH2 3.87Å; W67-W408 HydrophobicContact CZ2-CH2 3.87Å; W67-W408 HydrophobicContact CZ2-CZ2 4.15Å; W67-W408 HydrophobicContact CZ3-CE3 4.14Å; W67-W408 AromaticContact CZ3-CH2 3.33Å; W67-W408 HydrophobicContact CZ3-CH2 3.33Å; W67-W408 AromaticContact CZ3-CZ2 3.93Å; W67-W408 HydrophobicContact CZ3-CZ2 3.93Å; W67-W408 AromaticContact CZ3-CZ3 3.47Å; W67-W408 HydrophobicContact CZ3-CZ3 3.47Å; W67-W408 VanDerWaalsContact CZ3-CZ3 3.47Å; W67-W408 PolarHBondContact N-O 2.86Å; W67-W408 PolarHBondContact O-N 2.86Å; W67-N410 HydrophobicContact CH2-CB 4.05Å; W67-N410 HydrophobicContact CZ3-CB 3.63Å
68	L	98.8	Very high	94.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	146.3	-177.9	-64.6	87.7	0	0	0	110.2	F66 R89 Y92 I135 V174 L177 F192 V407	F66-L68 HydrophobicContact CB-CD1 4.38Å; L68-R89 PolarHBondContact N-O 2.83Å; L68-R89 PolarHBondContact O-N 3.36Å; L68-Y92 HydrophobicContact CD1-CD2 3.7Å; L68-Y92 HydrophobicContact CD1-CE2 4.04Å; L68-I135 HydrophobicContact CB-CG1 4.42Å; L68-I135 HydrophobicContact CB-CG2 4.23Å; L68-I135 HydrophobicContact CD2-CG1 4.3Å; L68-V174 HydrophobicContact CD1-CG1 4.17Å; L68-V174 HydrophobicContact CD1-CG2 4.23Å; L68-V174 HydrophobicContact CD2-CG2 4.44Å; L68-L177 HydrophobicContact CD2-CB 4.17Å; L68-L177 HydrophobicContact CD2-CD1 3.65Å; L68-F192 HydrophobicContact CD2-CE2 4.1Å; L68-V407 HydrophobicContact CG-CB 4.41Å; L68-V407 HydrophobicContact CG-CG2 4.09Å
69	F	98.7	Very high	95.4	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	107	175.1	-68.4	-73.5	0	0	0	110.4	V86 E88 H338 L353 Q381 P405 L406 W408	F69-V86 HydrophobicContact CB-CB 4.07Å; F69-V86 HydrophobicContact CB-CG1 4.25Å; F69-V86 HydrophobicContact CB-CG2 4.27Å; F69-V86 HydrophobicContact CD1-CB 4.32Å; F69-V86 HydrophobicContact CD1-CG2 3.76Å; F69-V86 HydrophobicContact CG-CG2 4.33Å; F69-E88 HydrophobicContact CE1-CB 4.49Å; F69-H338 AromaticContact CE1-CE1 3.59Å; F69-H338 AromaticContact CE1-NE2 3.89Å; F69-H338 AromaticContact CZ-CE1 3.97Å; F69-H338 AromaticContact CZ-NE2 3.88Å; F69-L353 HydrophobicContact CD1-CD2 3.96Å; F69-L353 HydrophobicContact CE1-CD2 3.5Å; F69-L353 HydrophobicContact CZ-CD2 3.96Å; F69-Q381 HydrophobicContact CE2-CG 4.31Å; F69-P405 WeakPolarHBondContact CB-O 3.41Å; F69-P405 HydrophobicContact CD2-CB 3.61Å; F69-P405 HydrophobicContact CD2-CG 4.13Å; F69-P405 HydrophobicContact CE2-CB 3.78Å; F69-P405 HydrophobicContact CG-CB 4.21Å; F69-P405 HydrophobicContact CG-CG 4.22Å; F69-L406 PolarHBondContact N-O 3.23Å; F69-W408 AromaticContact CE2-CD1 3.77Å; F69-W408 AromaticContact CZ-CD1 3.62Å
70	E	98.6	Very high	96.5	Very high	24 Å²	24	45.8 Å²	45.8	11%	0.112	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124	176.4	-176.1	177.6	-160.4	0	0	110.7	V86 V87 R89 I135 T136	E70-V86 CarbonylContact O-C 3.52Å; E70-V86 WeakPolarHBondContact O-CA 3.14Å; E70-V87 HydrophobicContact CB-CG2 3.93Å; E70-V87 HydrophobicContact CG-CG2 4.48Å; E70-V87 PolarHBondContact N-O 3.1Å; E70-V87 PolarHBondContact O-N 2.94Å; E70-R89 HydrophobicContact CB-CG 3.99Å; E70-R89 IonicContact OE2-CZ 2.67Å; E70-R89 VanDerWaalsContact OE2-CZ 3.27Å; E70-R89 IonicContact OE2-NE 2.63Å; E70-R89 PolarHBondContact OE2-NE 3.5Å; E70-R89 IonicContact OE2-NH2 3.94Å; E70-R89 PolarHBondContact OE2-NH2 3.47Å; E70-I135 HydrophobicContact CB-CG2 3.94Å; E70-I135 HydrophobicContact CG-CG2 4.31Å; E70-T136 CarbonylContact C-O 3.42Å; E70-T136 WeakPolarHBondContact CA-O 3.29Å
71	V	98.7	Very high	97.1	Very high	3 Å²	3	45 Å²	45	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123.3	176	-176.9	0	0	0	0	110.3	P74 V85 V86 T136 F169 F404	V71-P74 HydrophobicContact CG1-CB 3.98Å; V71-V85 WeakPolarHBondContact CA-O 3.18Å; V71-V86 HydrophobicContact CG2-CG1 4.17Å; V71-T136 HydrophobicContact CB-CG2 4.43Å; V71-T136 PolarHBondContact N-O 2.89Å; V71-F169 HydrophobicContact CB-CD1 4.35Å; V71-F169 HydrophobicContact CG1-CD1 4.32Å; V71-F169 HydrophobicContact CG1-CE1 4.23Å; V71-F169 HydrophobicContact CG1-CZ 4.41Å; V71-F169 HydrophobicContact CG2-CD1 3.76Å; V71-F169 HydrophobicContact CG2-CE1 3.73Å; V71-F404 HydrophobicContact CG2-CE1 4.33Å; V71-F404 HydrophobicContact CG2-CE2 4.02Å; V71-F404 HydrophobicContact CG2-CZ 3.39Å
72	V	98.4	Very high	97.4	Very high	79 Å²	79	40.8 Å²	40.8	48%	0.479	21%	0.206	S	C	.	.	S	Bend	trans	-93	-23.2	-178.1	-57.9	0	0	0	0	113.8	P74 V85 V87	V72-P74 WeakPolarHBondContact O-CD 3.45Å; V72-V85 HydrophobicContact CG2-CB 3.55Å; V72-V85 HydrophobicContact CG2-CG1 3.55Å; V72-V85 WeakPolarHBondContact CG2-O 3.39Å; V72-V85 PolarHBondContact N-O 3.12Å; V72-V87 HydrophobicContact CG1-CB 4.41Å; V72-V87 HydrophobicContact CG1-CG1 3.86Å; V72-V87 HydrophobicContact CG1-CG2 3.77Å
73	N	98.2	Very high	97.6	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.091	22%	0.222	C	C	.	.			trans	-122.4	46.4	-177.9	68.9	-29.5	0	0	0	114.2	L75 E76 V77 T83 V85	N73-L75 VanDerWaalsContact C-N 3.31Å; N73-L75 PolarHBondContact O-N 3.47Å; N73-E76 HydrophobicContact CB-CB 4.27Å; N73-E76 HydrophobicContact CB-CG 4.36Å; N73-E76 PolarHBondContact O-N 3.4Å; N73-E76 VanDerWaalsContact O-N 3.15Å; N73-V77 WeakPolarHBondContact O-CG2 3.27Å; N73-V77 PolarHBondContact O-N 3.49Å; N73-T83 PolarHBondContact ND2-O 2.74Å; N73-V85 PolarHBondContact OD1-N 3.25Å
74	P	97.8	Very high	97.7	Very high	34 Å²	34	41.4 Å²	41.4	22%	0.221	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-36.1	-170.9	27.8	-36.7	0	0	0	113.5	V71 V72 V78 T136 F169	V71-P74 HydrophobicContact CG1-CB 3.98Å; V72-P74 WeakPolarHBondContact O-CD 3.45Å; P74-V78 WeakPolarHBondContact O-CG2 3.34Å; P74-V78 PolarHBondContact O-N 3.31Å; P74-T136 HydrophobicContact CB-CG2 4.27Å; P74-T136 HydrophobicContact CG-CG2 4.18Å; P74-F169 HydrophobicContact CB-CB 3.88Å; P74-F169 HydrophobicContact CB-CD2 3.69Å; P74-F169 HydrophobicContact CB-CG 3.9Å
75	L	97.3	Very high	97.7	Very high	121 Å²	121	43.2 Å²	43.2	63%	0.634	23%	0.227	S	C	*	.	H	α-helix	trans	-67.3	-41.4	178.6	-65.9	177.5	0	0	0	111.6	N73 V77 V78 E79	N73-L75 VanDerWaalsContact C-N 3.31Å; N73-L75 PolarHBondContact O-N 3.47Å; L75-V77 VanDerWaalsContact C-N 3.3Å; L75-V77 PolarHBondContact O-N 2.92Å; L75-V78 PolarHBondContact O-N 2.91Å; L75-E79 WeakPolarHBondContact O-CB 3.4Å; L75-E79 WeakPolarHBondContact O-CG 3.38Å; L75-E79 PolarHBondContact O-N 3.44Å
76	E	97.7	Very high	97.7	Very high	103 Å²	103	41.7 Å²	41.7	48%	0.481	22%	0.22	S	C	.	.	H	α-helix	trans	-65.8	-36.9	-178.5	-63.2	174.8	-168.5	0	0	112.2	N73 Y80 G81 A82	N73-E76 HydrophobicContact CB-CB 4.27Å; N73-E76 HydrophobicContact CB-CG 4.36Å; N73-E76 PolarHBondContact O-N 3.4Å; N73-E76 VanDerWaalsContact O-N 3.15Å; E76-Y80 HydrophobicContact CB-CD2 4.37Å; E76-Y80 WeakPolarHBondContact O-CA 3.15Å; E76-Y80 WeakPolarHBondContact O-CB 3.22Å; E76-Y80 PolarHBondContact O-N 2.97Å; E76-G81 PolarHBondContact O-N 3.32Å; E76-A82 HydrophobicContact CB-CB 3.85Å; E76-A82 PolarHBondContact O-N 3.33Å
77	V	96.9	Very high	97.7	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-47.4	175.5	178.2	0	0	0	0	110.4	N73 L75 G81 P84 L168 F169	N73-V77 WeakPolarHBondContact O-CG2 3.27Å; N73-V77 PolarHBondContact O-N 3.49Å; L75-V77 VanDerWaalsContact C-N 3.3Å; L75-V77 PolarHBondContact O-N 2.92Å; V77-G81 VanDerWaalsContact O-CA 3.23Å; V77-G81 WeakPolarHBondContact O-CA 3.34Å; V77-G81 PolarHBondContact O-N 2.75Å; V77-G81 VanDerWaalsContact O-N 3.09Å; V77-P84 HydrophobicContact CG1-CG 4.3Å; V77-P84 HydrophobicContact CG2-CB 4.03Å; V77-P84 HydrophobicContact CG2-CG 4.17Å; V77-L168 HydrophobicContact CG1-CD2 4.45Å; V77-F169 HydrophobicContact CB-CE2 3.71Å; V77-F169 HydrophobicContact CB-CZ 4.29Å; V77-F169 HydrophobicContact CG1-CE2 3.6Å; V77-F169 HydrophobicContact CG1-CZ 3.89Å; V77-F169 HydrophobicContact CG2-CE2 4.26Å; V77-F169 HydrophobicContact CG2-CZ 4.49Å
78	V	96.6	Very high	97.7	Very high	29 Å²	29	46.5 Å²	46.5	18%	0.176	25%	0.247	C	C	.	.	H	α-helix	trans	-73.5	-42.8	-176.4	176.7	0	0	0	0	112.3	P74 L75 L168 F169 K397	P74-V78 WeakPolarHBondContact O-CG2 3.34Å; P74-V78 PolarHBondContact O-N 3.31Å; L75-V78 PolarHBondContact O-N 2.91Å; V78-L168 HydrophobicContact CG2-CB 3.79Å; V78-L168 HydrophobicContact CG2-CD2 4.39Å; V78-F169 HydrophobicContact CG2-CD2 4.04Å; V78-F169 HydrophobicContact CG2-CE2 4.23Å; V78-K397 WeakPolarHBondContact O-CG 3.39Å
79	E	95.9	Very high	97.6	Very high	100 Å²	100	52 Å²	52	47%	0.467	27%	0.268	S	S	.	.	H	α-helix	trans	-83.6	-40.1	-173.6	-67.3	-174.6	177.9	0	0	113.3	L75 K397	L75-E79 WeakPolarHBondContact O-CB 3.4Å; L75-E79 WeakPolarHBondContact O-CG 3.38Å; L75-E79 PolarHBondContact O-N 3.44Å; E79-K397 WeakPolarHBondContact O-CE 3.22Å
80	Y	96.1	Very high	97.6	Very high	165 Å²	165	52.9 Å²	52.9	65%	0.647	28%	0.277	S	S	*	.	H	α-helix	trans	-113.3	-8.5	-171.9	-50.9	-67.8	0	0	0	113.5	E76 A82	E76-Y80 HydrophobicContact CB-CD2 4.37Å; E76-Y80 WeakPolarHBondContact O-CA 3.15Å; E76-Y80 WeakPolarHBondContact O-CB 3.22Å; E76-Y80 PolarHBondContact O-N 2.97Å; Y80-A82 VanDerWaalsContact C-N 3.3Å
81	G	95.1	Very high	97.6	Very high	15 Å²	15	53.3 Å²	53.3	16%	0.155	28%	0.282	C	S	.	.			trans	67.7	34	-175.2	0	0	0	0	0	112	E76 V77 K397	E76-G81 PolarHBondContact O-N 3.32Å; V77-G81 VanDerWaalsContact O-CA 3.23Å; V77-G81 WeakPolarHBondContact O-CA 3.34Å; V77-G81 PolarHBondContact O-N 2.75Å; V77-G81 VanDerWaalsContact O-N 3.09Å; G81-K397 WeakPolarHBondContact CA-O 3.49Å
82	A	96.9	Very high	97.6	Very high	33 Å²	33	53.4 Å²	53.4	27%	0.273	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-66.5	157.1	172.1	0	0	0	0	0	110.9	E76 Y80	E76-A82 HydrophobicContact CB-CB 3.85Å; E76-A82 PolarHBondContact O-N 3.33Å; Y80-A82 VanDerWaalsContact C-N 3.3Å
83	T	97.6	Very high	97.6	Very high	63 Å²	63	49.7 Å²	49.7	39%	0.387	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-68.8	132	171.9	-53.1	0	0	0	0	109.4	N73 V85 T348 D349 L351	N73-T83 PolarHBondContact ND2-O 2.74Å; T83-V85 PolarHBondContact O-N 3.18Å; T83-T348 WeakPolarHBondContact CG2-O 3.48Å; T83-D349 WeakPolarHBondContact CG2-O 3.47Å; T83-L351 HydrophobicContact CG2-CD1 4.29Å; T83-L351 HydrophobicContact CG2-CD2 4.48Å; T83-L351 HydrophobicContact CG2-CG 3.84Å
84	P	98	Very high	97.6	Very high	4 Å²	4	49 Å²	49	3%	0.026	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-61	135.8	174.8	-10.2	19.1	0	0	0	111	V77 D349 V350 L351 F404	V77-P84 HydrophobicContact CG1-CG 4.3Å; V77-P84 HydrophobicContact CG2-CB 4.03Å; V77-P84 HydrophobicContact CG2-CG 4.17Å; P84-D349 WeakPolarHBondContact CD-O 3.37Å; P84-V350 HydrophobicContact CB-CG1 4.48Å; P84-V350 HydrophobicContact CG-CG2 4.48Å; P84-L351 PolarHBondContact O-N 2.81Å; P84-F404 HydrophobicContact CB-CD2 4.47Å; P84-F404 HydrophobicContact CB-CE2 3.97Å; P84-F404 HydrophobicContact CG-CD2 4.46Å; P84-F404 HydrophobicContact CG-CE2 4.43Å
85	V	98.6	Very high	97.5	Very high	46 Å²	46	49.1 Å²	49.1	28%	0.279	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-112	128.1	171.3	-175.8	0	0	0	0	107.5	V71 V72 N73 T83 L351	V71-V85 WeakPolarHBondContact CA-O 3.18Å; V72-V85 HydrophobicContact CG2-CB 3.55Å; V72-V85 HydrophobicContact CG2-CG1 3.55Å; V72-V85 WeakPolarHBondContact CG2-O 3.39Å; V72-V85 PolarHBondContact N-O 3.12Å; N73-V85 PolarHBondContact OD1-N 3.25Å; T83-V85 PolarHBondContact O-N 3.18Å; V85-L351 WeakPolarHBondContact CA-O 3.36Å; V85-L351 HydrophobicContact CG1-CB 4.5Å; V85-L351 HydrophobicContact CG2-CB 4.12Å; V85-L351 HydrophobicContact CG2-CD1 4.2Å
86	V	98.7	Very high	97.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151	178.7	-59.6	0	0	0	0	112.1	F69 E70 V71 V350 L351 L353 F404	F69-V86 HydrophobicContact CB-CB 4.07Å; F69-V86 HydrophobicContact CB-CG1 4.25Å; F69-V86 HydrophobicContact CB-CG2 4.27Å; F69-V86 HydrophobicContact CD1-CB 4.32Å; F69-V86 HydrophobicContact CD1-CG2 3.76Å; F69-V86 HydrophobicContact CG-CG2 4.33Å; E70-V86 CarbonylContact O-C 3.52Å; E70-V86 WeakPolarHBondContact O-CA 3.14Å; V71-V86 HydrophobicContact CG2-CG1 4.17Å; V86-V350 HydrophobicContact CB-CG1 4.47Å; V86-V350 HydrophobicContact CG1-CG1 3.82Å; V86-V350 HydrophobicContact CG2-CG1 3.85Å; V86-L351 WeakPolarHBondContact CG2-O 3.25Å; V86-L351 PolarHBondContact N-O 3.39Å; V86-L353 HydrophobicContact CG2-CD2 3.82Å; V86-L353 HydrophobicContact CG2-CG 4.41Å; V86-F404 HydrophobicContact CG1-CE2 3.99Å; V86-F404 HydrophobicContact CG1-CZ 3.79Å
87	V	98.4	Very high	97	Very high	55 Å²	55	42.9 Å²	42.9	33%	0.333	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.7	166.9	-64.2	0	0	0	0	109.2	E70 V72	E70-V87 HydrophobicContact CB-CG2 3.93Å; E70-V87 HydrophobicContact CG-CG2 4.48Å; E70-V87 PolarHBondContact N-O 3.1Å; E70-V87 PolarHBondContact O-N 2.94Å; V72-V87 HydrophobicContact CG1-CB 4.41Å; V72-V87 HydrophobicContact CG1-CG1 3.86Å; V72-V87 HydrophobicContact CG1-CG2 3.77Å
88	E	97.8	Very high	96.7	Very high	76 Å²	76	47.3 Å²	47.3	36%	0.355	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.1	179.2	-171.9	-170.4	75	0	0	111.2	W67 F69 H338 W408	W67-E88 HydrophobicContact CB-CG 3.75Å; W67-E88 VanDerWaalsContact CD1-OE1 3.25Å; W67-E88 HydrophobicContact CG-CG 4.08Å; F69-E88 HydrophobicContact CE1-CB 4.49Å; E88-H338 IonicContact OE2-CE1 2.82Å; E88-H338 IonicContact OE2-NE2 3.32Å; E88-H338 PolarHBondContact OE2-NE2 2.86Å; E88-W408 PolarHBondContact OE2-NE1 2.86Å
89	R	98.3	Very high	96.4	Very high	118 Å²	118	49.6 Å²	49.6	45%	0.445	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	112.1	176.3	-64.1	-65.4	-165	174.9	3.3	110.7	W67 L68 E70 I135	W67-R89 CarbonylContact C-O 3.53Å; W67-R89 WeakPolarHBondContact CA-O 3.49Å; L68-R89 PolarHBondContact N-O 2.83Å; L68-R89 PolarHBondContact O-N 3.36Å; E70-R89 HydrophobicContact CB-CG 3.99Å; E70-R89 IonicContact OE2-CZ 2.67Å; E70-R89 VanDerWaalsContact OE2-CZ 3.27Å; E70-R89 IonicContact OE2-NE 2.63Å; E70-R89 PolarHBondContact OE2-NE 3.5Å; E70-R89 IonicContact OE2-NH2 3.94Å; E70-R89 PolarHBondContact OE2-NH2 3.47Å; R89-I135 HydrophobicContact CB-CD1 3.84Å; R89-I135 HydrophobicContact CG-CD1 3.78Å
90	G	97.4	Very high	96.3	Very high	19 Å²	19	47.3 Å²	47.3	20%	0.196	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-174.1	177.7	0	0	0	0	0	112.5
91	P	98.3	Very high	96.3	Very high	32 Å²	32	40.9 Å²	40.9	21%	0.208	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.8	147.5	-1.6	28	-32.2	0	0	0	113.3	Q65 F66 W67 S127 V128	Q65-P91 HydrophobicContact CB-CB 3.93Å; Q65-P91 HydrophobicContact CG-CB 4.44Å; F66-P91 CarbonylContact O-C 3.4Å; F66-P91 WeakPolarHBondContact O-CA 3.45Å; W67-P91 HydrophobicContact CD2-CB 4.27Å; W67-P91 HydrophobicContact CH2-CB 3.92Å; W67-P91 HydrophobicContact CZ2-CB 3.57Å; W67-P91 HydrophobicContact CZ2-CG 4Å; W67-P91 HydrophobicContact CZ3-CB 4.41Å; P91-S127 CarbonylContact O-C 3.5Å; P91-S127 VanDerWaalsContact O-CA 3.3Å; P91-S127 WeakPolarHBondContact O-CA 3.47Å; P91-V128 PolarHBondContact O-N 2.91Å
92	Y	98.7	Very high	96.3	Very high	6 Å²	6	43 Å²	43	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.1	156.3	-63.4	-87.7	0	0	0	107.7	Q65 F66 L68 F122 V128 A130 D133 V174	Q65-Y92 WeakPolarHBondContact CA-O 3.33Å; F66-Y92 PolarHBondContact N-O 3.45Å; F66-Y92 PolarHBondContact O-N 2.85Å; L68-Y92 HydrophobicContact CD1-CD2 3.7Å; L68-Y92 HydrophobicContact CD1-CE2 4.04Å; Y92-F122 HydrophobicContact CD1-CE2 4.41Å; Y92-V128 HydrophobicContact CE1-CG1 4.3Å; Y92-V128 HydrophobicContact CE2-CG1 4.15Å; Y92-A130 WeakPolarHBondContact CE1-O 3.47Å; Y92-D133 HydrophobicContact CE1-CB 4.21Å; Y92-D133 VanDerWaalsContact OH-CB 3.26Å; Y92-D133 WeakPolarHBondContact OH-CB 3.32Å; Y92-D133 PolarHBondContact OH-OD2 3.44Å; Y92-V174 HydrophobicContact CD1-CB 4.46Å; Y92-V174 HydrophobicContact CD1-CG1 4.01Å; Y92-V174 HydrophobicContact CD1-CG2 4.26Å; Y92-V174 HydrophobicContact CD2-CG1 4.08Å; Y92-V174 HydrophobicContact CD2-CG2 4.09Å; Y92-V174 HydrophobicContact CE1-CB 4.44Å; Y92-V174 HydrophobicContact CE1-CG1 4.45Å; Y92-V174 HydrophobicContact CE1-CG2 3.87Å; Y92-V174 HydrophobicContact CE2-CG2 3.68Å; Y92-V174 HydrophobicContact CG-CG1 3.82Å; Y92-V174 HydrophobicContact CG-CG2 4.37Å
93	T	98.6	Very high	96.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.8	-166.9	-60.1	0	0	0	0	111.1	Y63 Q65 F122 E123 M126 S127	Y63-T93 HydrophobicContact CD1-CG2 4Å; Y63-T93 HydrophobicContact CG-CG2 4.47Å; Q65-T93 HydrophobicContact CG-CG2 4.01Å; Q65-T93 PolarHBondContact NE2-OG1 3.37Å; T93-F122 VanDerWaalsContact O-CD2 3.29Å; T93-F122 WeakPolarHBondContact O-CD2 3.44Å; T93-E123 HydrophobicContact CG2-CB 4.13Å; T93-E123 PolarHBondContact O-N 3.34Å; T93-M126 WeakPolarHBondContact CB-O 3.12Å; T93-M126 HydrophobicContact CG2-CB 3.86Å; T93-M126 HydrophobicContact CG2-CE 4.32Å; T93-M126 HydrophobicContact CG2-SD 4.5Å; T93-M126 PolarHBondContact OG1-O 3.06Å; T93-S127 PolarHBondContact N-OG 3.32Å
94	Y	97.9	Very high	96.2	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.3	173.4	-65.4	-103	0	0	0	110.3	Y63 R64 F66 A120 I121 F122 E131 L178 W179	Y63-Y94 CarbonylContact C-O 3.5Å; Y63-Y94 WeakPolarHBondContact CA-O 3.4Å; R64-Y94 PolarHBondContact N-O 2.93Å; R64-Y94 PolarHBondContact O-N 3.26Å; F66-Y94 AromaticContact CD2-CD2 3.66Å; F66-Y94 HydrophobicContact CD2-CD2 3.66Å; F66-Y94 AromaticContact CD2-CE2 3.83Å; F66-Y94 HydrophobicContact CD2-CE2 3.83Å; F66-Y94 AromaticContact CE2-CD2 3.58Å; F66-Y94 HydrophobicContact CE2-CD2 3.58Å; F66-Y94 AromaticContact CE2-CE2 3.99Å; F66-Y94 HydrophobicContact CE2-CE2 3.99Å; F66-Y94 HydrophobicContact CE2-CG 4.36Å; Y94-A120 HydrophobicContact CD1-CB 3.98Å; Y94-A120 HydrophobicContact CG-CB 4.37Å; Y94-I121 CarbonylContact C-O 3.44Å; Y94-I121 WeakPolarHBondContact CA-O 3.46Å; Y94-F122 VanDerWaalsContact CD1-CA 3.48Å; Y94-F122 HydrophobicContact CD1-CB 3.86Å; Y94-F122 HydrophobicContact CD1-CD2 4.17Å; Y94-F122 HydrophobicContact CD2-CD2 4.2Å; Y94-F122 HydrophobicContact CE1-CB 3.57Å; Y94-F122 AromaticContact CE1-CD2 3.72Å; Y94-F122 HydrophobicContact CE1-CD2 3.72Å; Y94-F122 HydrophobicContact CE1-CG 4.06Å; Y94-F122 AromaticContact CE2-CD2 3.77Å; Y94-F122 HydrophobicContact CE2-CD2 3.77Å; Y94-F122 HydrophobicContact CE2-CE2 4.3Å; Y94-F122 HydrophobicContact CG-CD2 4.39Å; Y94-F122 AromaticContact CZ-CD2 3.5Å; Y94-F122 VanDerWaalsContact CZ-CD2 3.5Å; Y94-E131 WeakPolarHBondContact CE1-OE1 3.16Å; Y94-E131 VanDerWaalsContact CZ-OE1 3.3Å; Y94-E131 PolarHBondContact OH-OE1 2.9Å; Y94-L178 HydrophobicContact CE2-CD1 3.74Å; Y94-W179 AromaticContact CD1-CZ2 3.74Å; Y94-W179 HydrophobicContact CD1-CZ2 3.74Å; Y94-W179 HydrophobicContact CD2-CZ2 4.19Å; Y94-W179 AromaticContact CE1-CE2 3.81Å; Y94-W179 AromaticContact CE1-CZ2 3.55Å; Y94-W179 HydrophobicContact CE1-CZ2 3.55Å; Y94-W179 AromaticContact CE1-NE1 3.5Å; Y94-W179 HydrophobicContact CE2-CZ2 4.01Å; Y94-W179 HydrophobicContact CG-CZ2 4.07Å; Y94-W179 AromaticContact CZ-CE2 3.89Å; Y94-W179 AromaticContact CZ-CZ2 3.7Å; Y94-W179 AromaticContact CZ-NE1 3.46Å; Y94-W179 PolarHBondContact OH-NE1 3.4Å; Y94-W179 VanDerWaalsContact OH-NE1 3.16Å
95	M	96.3	Very high	96.2	Very high	37 Å²	37	49 Å²	49	18%	0.182	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.2	164.1	-171.9	173.8	-178.3	0	0	108.8	K61 Y63 A120 I121 E123	K61-M95 HydrophobicContact CB-CE 3.99Å; K61-M95 HydrophobicContact CD-CE 3.98Å; K61-M95 HydrophobicContact CG-CE 3.7Å; Y63-M95 HydrophobicContact CD1-CB 4.19Å; Y63-M95 HydrophobicContact CE1-CB 4.04Å; Y63-M95 HydrophobicContact CE1-CG 4.27Å; M95-A120 WeakPolarHBondContact O-CA 3.24Å; M95-I121 PolarHBondContact N-O 2.87Å; M95-I121 PolarHBondContact O-N 3.3Å; M95-E123 HydrophobicContact CB-CG 4.27Å
96	T	94.2	Very high	96.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	171.6	-177.1	58.1	0	0	0	0	110.1	V62 R64 Y98 G119 A120	V62-T96 PolarHBondContact O-N 3.34Å; V62-T96 VanDerWaalsContact O-O 3.06Å; V62-T96 PolarHBondContact O-OG1 3.04Å; R64-T96 HydrophobicContact CB-CG2 3.75Å; T96-Y98 PolarHBondContact O-N 2.98Å; T96-G119 WeakPolarHBondContact CA-O 3.25Å; T96-A120 HydrophobicContact CG2-CB 4.19Å
97	R	90.1	Very high	96.1	Very high	92 Å²	92	54.3 Å²	54.3	35%	0.347	27%	0.274	S	S	.	.	S	Bend	trans	50.3	29.1	178.2	-56.9	-172.2	177.3	-115.8	0.7	114.4	V62 L99 E411	V62-R97 HydrophobicContact CB-CB 4.04Å; V62-R97 HydrophobicContact CB-CG 4.47Å; V62-R97 HydrophobicContact CG1-CG 4.41Å; V62-R97 HydrophobicContact CG2-CB 3.93Å; V62-R97 HydrophobicContact CG2-CG 4.5Å; R97-L99 VanDerWaalsContact C-N 3.28Å; R97-E411 IonicContact CZ-OE1 2.88Å; R97-E411 IonicContact NE-OE1 2.77Å; R97-E411 PolarHBondContact NE-OE1 3.22Å; R97-E411 IonicContact NH2-OE1 3.27Å; R97-E411 PolarHBondContact NH2-OE1 3.29Å
98	Y	90.4	Very high	95.9	Very high	98 Å²	98	60.1 Å²	60.1	38%	0.384	30%	0.302	S	S	.	.			trans	-84.2	-6.5	176.8	65.1	-92.4	0	0	0	112.8	T96 I121	T96-Y98 PolarHBondContact O-N 2.98Å; Y98-I121 HydrophobicContact CD1-CD1 4.12Å; Y98-I121 HydrophobicContact CD1-CG1 4.49Å; Y98-I121 HydrophobicContact CD2-CD1 4.38Å; Y98-I121 HydrophobicContact CE1-CD1 3.65Å; Y98-I121 HydrophobicContact CE1-CG1 3.74Å; Y98-I121 HydrophobicContact CE2-CD1 3.93Å; Y98-I121 HydrophobicContact CG-CD1 4.48Å
99	L	91.6	Very high	95.7	Very high	76 Å²	76	60.3 Å²	60.3	40%	0.398	31%	0.305	S	S	.	.	S	Bend	trans	-93.5	135.9	178.2	-64.2	172.3	0	0	0	109.3	R97 P117	R97-L99 VanDerWaalsContact C-N 3.28Å; L99-P117 HydrophobicContact CB-CB 4.09Å; L99-P117 HydrophobicContact CB-CG 3.54Å; L99-P117 HydrophobicContact CD1-CB 3.83Å; L99-P117 HydrophobicContact CD1-CG 4.25Å
100	A	93.8	Very high	95.6	Very high	53 Å²	53	58.2 Å²	58.2	44%	0.438	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-65.8	155.6	174.4	0	0	0	0	0	111.3	A56 A57 D102 P117	A56-A100 WeakPolarHBondContact O-CA 3.29Å; A57-A100 HydrophobicContact CB-CB 3.91Å; A100-D102 PolarHBondContact O-N 3.38Å; A100-P117 WeakPolarHBondContact O-CD 3.17Å; A100-P117 WeakPolarHBondContact O-CG 3.41Å
101	K	95.2	Very high	95.6	Very high	29 Å²	29	57.3 Å²	57.3	13%	0.126	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-57.1	137.4	171.6	-74.2	177.7	174.1	124.6	0	109.9	W55 A56 I104 F114 L116	W55-K101 HydrophobicContact CD2-CD 3.88Å; W55-K101 HydrophobicContact CE3-CD 4.25Å; W55-K101 HydrophobicContact CG-CD 4.44Å; W55-K101 HydrophobicContact CH2-CD 4.14Å; W55-K101 HydrophobicContact CZ2-CD 3.77Å; W55-K101 HydrophobicContact CZ3-CD 4.37Å; W55-K101 VanDerWaalsContact O-CD 3.31Å; W55-K101 WeakPolarHBondContact O-CD 3.28Å; W55-K101 WeakPolarHBondContact O-CE 3.25Å; W55-K101 PolarHBondContact O-NZ 2.83Å; A56-K101 PolarHBondContact O-N 3.49Å; K101-I104 HydrophobicContact CB-CD1 4.08Å; K101-I104 HydrophobicContact CB-CG1 4.22Å; K101-F114 HydrophobicContact CB-CB 4.39Å; K101-F114 HydrophobicContact CB-CD2 4.15Å; K101-F114 HydrophobicContact CD-CD2 3.46Å; K101-F114 VanDerWaalsContact CD-CD2 3.46Å; K101-F114 HydrophobicContact CD-CE2 3.64Å; K101-F114 HydrophobicContact CD-CG 3.98Å; K101-F114 HydrophobicContact CD-CZ 4.27Å; K101-F114 HydrophobicContact CG-CD2 3.69Å; K101-F114 HydrophobicContact CG-CE2 4.1Å; K101-F114 HydrophobicContact CG-CG 4.44Å; K101-L116 HydrophobicContact CD-CD2 4.47Å; K101-L116 HydrophobicContact CG-CD2 3.87Å
102	D	95	Very high	95.6	Very high	61 Å²	61	55.8 Å²	55.8	33%	0.326	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	161.3	-176.4	-162.6	14.3	0	0	0	111.8	A100 I104 F114 L115 Y200	A100-D102 PolarHBondContact O-N 3.38Å; D102-I104 VanDerWaalsContact C-N 3.26Å; D102-I104 PolarHBondContact O-N 3.39Å; D102-F114 WeakPolarHBondContact O-CA 3.38Å; D102-L115 HydrophobicContact CB-CB 4.48Å; D102-L115 PolarHBondContact N-O 2.99Å; D102-L115 PolarHBondContact O-N 2.83Å; D102-Y200 HydrophobicContact CB-CE1 4.06Å; D102-Y200 PolarHBondContact OD2-OH 2.8Å
103	N	96.3	Very high	95.5	Very high	104 Å²	104	56.7 Å²	56.7	56%	0.556	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.4	39.1	178.9	-69.7	-16.2	0	0	0	114.7	T105 L115	N103-T105 PolarHBondContact O-N 3.48Å; N103-T105 PolarHBondContact O-OG1 2.8Å; N103-L115 HydrophobicContact CB-CD1 4.16Å; N103-L115 WeakPolarHBondContact ND2-CD1 3.42Å
104	I	97.4	Very high	95.5	Very high	49 Å²	49	56.9 Å²	56.9	25%	0.251	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	118.6	179.9	-59.7	169.9	0	0	0	110.3	Y52 W55 A56 K101 D102 F106 V112 S113 F114	Y52-I104 HydrophobicContact CE2-CG2 4.37Å; W55-I104 HydrophobicContact CH2-CD1 4.42Å; W55-I104 HydrophobicContact CH2-CG1 4.27Å; W55-I104 HydrophobicContact CH2-CG2 4.06Å; W55-I104 HydrophobicContact CZ3-CD1 3.89Å; W55-I104 HydrophobicContact CZ3-CG1 4.21Å; W55-I104 HydrophobicContact CZ3-CG2 3.98Å; A56-I104 HydrophobicContact CB-CD1 4.04Å; K101-I104 HydrophobicContact CB-CD1 4.08Å; K101-I104 HydrophobicContact CB-CG1 4.22Å; D102-I104 VanDerWaalsContact C-N 3.26Å; D102-I104 PolarHBondContact O-N 3.39Å; I104-F106 HydrophobicContact CG2-CD2 4.49Å; I104-F106 HydrophobicContact CG2-CE2 3.93Å; I104-F106 HydrophobicContact CG2-CZ 4.43Å; I104-V112 HydrophobicContact CG2-CG2 3.73Å; I104-S113 CarbonylContact C-O 3.46Å; I104-S113 VanDerWaalsContact CA-O 3.29Å; I104-S113 WeakPolarHBondContact CA-O 3.41Å; I104-F114 HydrophobicContact CG1-CB 4.19Å
105	T	97.4	Very high	95.4	Very high	73 Å²	73	58.1 Å²	58.1	45%	0.448	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.2	-178.4	-53.7	0	0	0	0	110.9	N103 V112 S113	N103-T105 PolarHBondContact O-N 3.48Å; N103-T105 PolarHBondContact O-OG1 2.8Å; T105-V112 CarbonylContact O-C 3.55Å; T105-V112 WeakPolarHBondContact O-CA 3.38Å; T105-S113 PolarHBondContact N-O 3.33Å; T105-S113 PolarHBondContact O-N 2.9Å
106	F	97.4	Very high	95.3	Very high	81 Å²	81	57.7 Å²	57.7	36%	0.355	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	141.7	177.4	-71	-86.4	0	0	0	112.3	I45 P47 Y52 I104 V112 T208	I45-F106 WeakPolarHBondContact O-CE1 3.33Å; P47-F106 HydrophobicContact CG-CE2 3.87Å; P47-F106 HydrophobicContact CG-CZ 4.07Å; Y52-F106 AromaticContact CD2-CZ 3.9Å; Y52-F106 HydrophobicContact CD2-CZ 3.9Å; Y52-F106 AromaticContact CE2-CE2 3.93Å; Y52-F106 HydrophobicContact CE2-CE2 3.93Å; Y52-F106 AromaticContact CE2-CZ 3.57Å; Y52-F106 HydrophobicContact CE2-CZ 3.57Å; I104-F106 HydrophobicContact CG2-CD2 4.49Å; I104-F106 HydrophobicContact CG2-CE2 3.93Å; I104-F106 HydrophobicContact CG2-CZ 4.43Å; F106-V112 HydrophobicContact CD1-CB 3.83Å; F106-V112 HydrophobicContact CD1-CG2 3.85Å; F106-V112 HydrophobicContact CD2-CG2 4.32Å; F106-V112 HydrophobicContact CE1-CB 3.82Å; F106-V112 HydrophobicContact CE1-CG1 4.47Å; F106-V112 HydrophobicContact CE1-CG2 3.71Å; F106-V112 HydrophobicContact CE2-CG2 4.21Å; F106-V112 HydrophobicContact CG-CB 4.49Å; F106-V112 HydrophobicContact CG-CG2 4.16Å; F106-V112 HydrophobicContact CZ-CB 4.49Å; F106-V112 HydrophobicContact CZ-CG2 3.9Å; F106-T208 HydrophobicContact CD1-CG2 4.15Å; F106-T208 HydrophobicContact CE1-CG2 4.13Å
107	H	96.6	Very high	95.4	Very high	77 Å²	77	58.6 Å²	58.6	36%	0.356	30%	0.301	S	S	.	.			trans	-118.2	160.8	-176.9	-58.2	-66.2	0	0	0	113	N109 H110 T111 S113 D205	H107-N109 VanDerWaalsContact C-N 3.27Å; H107-N109 WeakPolarHBondContact CB-OD1 3.43Å; H107-N109 PolarHBondContact O-N 3.1Å; H107-H110 PolarHBondContact O-N 2.95Å; H107-T111 PolarHBondContact CD2-OG1 3.08Å; H107-T111 PolarHBondContact N-O 2.93Å; H107-S113 PolarHBondContact NE2-OG 3.47Å; H107-D205 IonicContact CD2-OD1 3.47Å; H107-D205 IonicContact NE2-OD1 3.19Å
108	L	94.7	Very high	95.6	Very high	177 Å²	177	55.8 Å²	55.8	93%	0.927	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.2	-178.9	-66.8	175.3	0	0	0	113.6	H110	L108-H110 PolarHBondContact O-N 3.36Å
109	N	93.8	Very high	95.8	Very high	80 Å²	80	51.3 Å²	51.3	43%	0.428	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	21	176.3	64.9	-33.5	0	0	0	112.9	H107 T111	H107-N109 VanDerWaalsContact C-N 3.27Å; H107-N109 WeakPolarHBondContact CB-OD1 3.43Å; H107-N109 PolarHBondContact O-N 3.1Å; N109-T111 PolarHBondContact ND2-OG1 2.79Å; N109-T111 PolarHBondContact O-N 2.81Å; N109-T111 PolarHBondContact OD1-OG1 3.35Å
110	H	96.4	Very high	96	Very high	75 Å²	75	48.2 Å²	48.2	35%	0.347	26%	0.261	S	S	.	.	S	Bend	trans	60.1	29.4	179.8	-49.8	-65.4	0	0	0	114.1	H107 L108 T208 D211	H107-H110 PolarHBondContact O-N 2.95Å; L108-H110 PolarHBondContact O-N 3.36Å; H110-T208 PolarHBondContact O-N 3.25Å; H110-T208 PolarHBondContact O-OG1 3.37Å; H110-T208 VanDerWaalsContact O-OG1 3.05Å; H110-D211 HydrophobicContact CB-CB 4.37Å
111	T	97.5	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	160.6	168.6	67.2	0	0	0	0	111.7	H107 N109 D205 V206 F207 D220	H107-T111 PolarHBondContact CD2-OG1 3.08Å; H107-T111 PolarHBondContact N-O 2.93Å; N109-T111 PolarHBondContact ND2-OG1 2.79Å; N109-T111 PolarHBondContact O-N 2.81Å; N109-T111 PolarHBondContact OD1-OG1 3.35Å; T111-D205 WeakPolarHBondContact CB-OD1 3.44Å; T111-D205 WeakPolarHBondContact CB-OD2 3.5Å; T111-D205 PolarHBondContact OG1-OD1 2.67Å; T111-D205 VanDerWaalsContact OG1-OD1 3.09Å; T111-D205 PolarHBondContact OG1-OD2 2.83Å; T111-V206 CarbonylContact C-O 3.53Å; T111-V206 WeakPolarHBondContact CA-O 3.27Å; T111-V206 WeakPolarHBondContact CB-O 3.46Å; T111-F207 HydrophobicContact CG2-CD1 3.8Å; T111-F207 HydrophobicContact CG2-CE1 4Å; T111-F207 HydrophobicContact CG2-CG 4.39Å; T111-D220 HydrophobicContact CG2-CB 4.43Å
112	V	97.8	Very high	96.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.2	173.2	60.8	0	0	0	0	109.3	I45 W55 I104 T105 F106 V206 T208	I45-V112 HydrophobicContact CG2-CG1 4.03Å; W55-V112 HydrophobicContact CH2-CG1 3.96Å; W55-V112 HydrophobicContact CH2-CG2 3.81Å; W55-V112 HydrophobicContact CZ2-CG1 3.96Å; W55-V112 HydrophobicContact CZ3-CG2 4.48Å; I104-V112 HydrophobicContact CG2-CG2 3.73Å; T105-V112 CarbonylContact O-C 3.55Å; T105-V112 WeakPolarHBondContact O-CA 3.38Å; F106-V112 HydrophobicContact CD1-CB 3.83Å; F106-V112 HydrophobicContact CD1-CG2 3.85Å; F106-V112 HydrophobicContact CD2-CG2 4.32Å; F106-V112 HydrophobicContact CE1-CB 3.82Å; F106-V112 HydrophobicContact CE1-CG1 4.47Å; F106-V112 HydrophobicContact CE1-CG2 3.71Å; F106-V112 HydrophobicContact CE2-CG2 4.21Å; F106-V112 HydrophobicContact CG-CB 4.49Å; F106-V112 HydrophobicContact CG-CG2 4.16Å; F106-V112 HydrophobicContact CZ-CB 4.49Å; F106-V112 HydrophobicContact CZ-CG2 3.9Å; V112-V206 HydrophobicContact CG1-CG2 3.56Å; V112-V206 PolarHBondContact N-O 3.06Å; V112-V206 PolarHBondContact O-N 3.23Å; V112-T208 HydrophobicContact CB-CG2 3.93Å; V112-T208 HydrophobicContact CG1-CG2 3.88Å
113	S	97.9	Very high	96.4	Very high	25 Å²	25	49 Å²	49	18%	0.175	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	145.5	177.1	-60.9	0	0	0	0	112.1	I104 T105 H107 Y204 D205	I104-S113 CarbonylContact C-O 3.46Å; I104-S113 VanDerWaalsContact CA-O 3.29Å; I104-S113 WeakPolarHBondContact CA-O 3.41Å; T105-S113 PolarHBondContact N-O 3.33Å; T105-S113 PolarHBondContact O-N 2.9Å; H107-S113 PolarHBondContact NE2-OG 3.47Å; S113-Y204 CarbonylContact C-O 3.5Å; S113-Y204 WeakPolarHBondContact CA-O 3.31Å; S113-D205 PolarHBondContact N-OD1 2.78Å; S113-D205 VanDerWaalsContact OG-CG 3.29Å; S113-D205 PolarHBondContact OG-OD1 3.08Å
114	F	97.2	Very high	96.5	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.013	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	168.2	178.8	66.8	-80.4	0	0	0	112.7	W55 K101 D102 I104 L116 P203 Y204 V206	W55-F114 HydrophobicContact CH2-CB 4.24Å; W55-F114 AromaticContact CH2-CD1 3.97Å; W55-F114 HydrophobicContact CH2-CD1 3.97Å; W55-F114 HydrophobicContact CH2-CG 4.2Å; W55-F114 HydrophobicContact CZ2-CB 4.41Å; W55-F114 AromaticContact CZ2-CD1 3.38Å; W55-F114 HydrophobicContact CZ2-CD1 3.38Å; W55-F114 AromaticContact CZ2-CE1 3.62Å; W55-F114 HydrophobicContact CZ2-CE1 3.62Å; W55-F114 AromaticContact CZ2-CG 3.88Å; W55-F114 HydrophobicContact CZ2-CG 3.88Å; W55-F114 HydrophobicContact CZ2-CZ 4.31Å; K101-F114 HydrophobicContact CB-CB 4.39Å; K101-F114 HydrophobicContact CB-CD2 4.15Å; K101-F114 HydrophobicContact CD-CD2 3.46Å; K101-F114 VanDerWaalsContact CD-CD2 3.46Å; K101-F114 HydrophobicContact CD-CE2 3.64Å; K101-F114 HydrophobicContact CD-CG 3.98Å; K101-F114 HydrophobicContact CD-CZ 4.27Å; K101-F114 HydrophobicContact CG-CD2 3.69Å; K101-F114 HydrophobicContact CG-CE2 4.1Å; K101-F114 HydrophobicContact CG-CG 4.44Å; D102-F114 WeakPolarHBondContact O-CA 3.38Å; I104-F114 HydrophobicContact CG1-CB 4.19Å; F114-L116 HydrophobicContact CD2-CD2 4.23Å; F114-L116 HydrophobicContact CD2-CG 4.17Å; F114-L116 HydrophobicContact CE2-CD1 4.2Å; F114-L116 HydrophobicContact CE2-CD2 3.78Å; F114-L116 HydrophobicContact CE2-CG 3.68Å; F114-P203 WeakPolarHBondContact O-CA 2.93Å; F114-Y204 HydrophobicContact CE1-CG 4.38Å; F114-Y204 HydrophobicContact CE2-CD2 4.2Å; F114-Y204 HydrophobicContact CE2-CG 4.26Å; F114-Y204 HydrophobicContact CZ-CD2 4.35Å; F114-Y204 AromaticContact CZ-CG 3.94Å; F114-Y204 HydrophobicContact CZ-CG 3.94Å; F114-Y204 PolarHBondContact N-O 2.74Å; F114-Y204 PolarHBondContact O-N 3.41Å; F114-V206 HydrophobicContact CD1-CG2 4.5Å; F114-V206 HydrophobicContact CE1-CG1 3.82Å; F114-V206 HydrophobicContact CE1-CG2 3.91Å; F114-V206 HydrophobicContact CZ-CG1 4.44Å
115	L	96.8	Very high	96.5	Very high	29 Å²	29	51 Å²	51	15%	0.152	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.1	170.1	-69.5	167.3	0	0	0	110.6	D102 N103 P117 Y200 P203	D102-L115 HydrophobicContact CB-CB 4.48Å; D102-L115 PolarHBondContact N-O 2.99Å; D102-L115 PolarHBondContact O-N 2.83Å; N103-L115 HydrophobicContact CB-CD1 4.16Å; N103-L115 WeakPolarHBondContact ND2-CD1 3.42Å; L115-P117 VanDerWaalsContact O-CD 3.29Å; L115-P117 WeakPolarHBondContact O-CD 3.4Å; L115-Y200 HydrophobicContact CB-CD1 3.7Å; L115-Y200 HydrophobicContact CB-CE1 4.46Å; L115-Y200 HydrophobicContact CB-CG 4.21Å; L115-Y200 HydrophobicContact CD1-CD1 4.24Å; L115-Y200 HydrophobicContact CD1-CG 4.28Å; L115-Y200 HydrophobicContact CG-CD1 4.49Å; L115-P203 HydrophobicContact CD2-CB 4.01Å
116	L	94.8	Very high	96.5	Very high	28 Å²	28	51.2 Å²	51.2	15%	0.147	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	101.8	172.9	-72	172.8	0	0	0	109.6	K101 F114 Y200 D201 Y204	K101-L116 HydrophobicContact CD-CD2 4.47Å; K101-L116 HydrophobicContact CG-CD2 3.87Å; F114-L116 HydrophobicContact CD2-CD2 4.23Å; F114-L116 HydrophobicContact CD2-CG 4.17Å; F114-L116 HydrophobicContact CE2-CD1 4.2Å; F114-L116 HydrophobicContact CE2-CD2 3.78Å; F114-L116 HydrophobicContact CE2-CG 3.68Å; L116-Y200 CarbonylContact O-C 3.55Å; L116-Y200 VanDerWaalsContact O-CA 3.27Å; L116-Y200 WeakPolarHBondContact O-CA 3.2Å; L116-D201 HydrophobicContact CB-CB 4.21Å; L116-D201 PolarHBondContact N-O 2.97Å; L116-D201 PolarHBondContact O-N 3.31Å; L116-Y204 HydrophobicContact CD1-CD2 4.22Å; L116-Y204 HydrophobicContact CD1-CE2 3.75Å; L116-Y204 HydrophobicContact CG-CD2 4.48Å; L116-Y204 HydrophobicContact CG-CE2 4.37Å
117	P	95.1	Very high	96.6	Very high	21 Å²	21	48.4 Å²	48.4	14%	0.136	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	135.2	175.4	24.5	-31.9	0	0	0	111.8	L99 A100 L115 Y200	L99-P117 HydrophobicContact CB-CB 4.09Å; L99-P117 HydrophobicContact CB-CG 3.54Å; L99-P117 HydrophobicContact CD1-CB 3.83Å; L99-P117 HydrophobicContact CD1-CG 4.25Å; A100-P117 WeakPolarHBondContact O-CD 3.17Å; A100-P117 WeakPolarHBondContact O-CG 3.41Å; L115-P117 VanDerWaalsContact O-CD 3.29Å; L115-P117 WeakPolarHBondContact O-CD 3.4Å; P117-Y200 HydrophobicContact CB-CD1 3.86Å; P117-Y200 HydrophobicContact CB-CE1 3.68Å; P117-Y200 HydrophobicContact CG-CE1 4.46Å
118	N	94.3	Very high	96.6	Very high	33 Å²	33	49.2 Å²	49.2	18%	0.176	28%	0.277	C	S	.	.			trans	-95.9	130.8	177.2	-68.9	-43.6	0	0	0	111	Y196 N198 T199	N118-Y196 HydrophobicContact CB-CD1 4.3Å; N118-Y196 HydrophobicContact CB-CD2 4.06Å; N118-Y196 HydrophobicContact CB-CE1 4.09Å; N118-Y196 HydrophobicContact CB-CE2 3.8Å; N118-Y196 HydrophobicContact CB-CG 4.29Å; N118-Y196 WeakPolarHBondContact CB-O 3.17Å; N118-N198 PolarHBondContact O-N 2.88Å; N118-T199 PolarHBondContact N-O 2.95Å; N118-T199 PolarHBondContact ND2-OG1 3.18Å
119	G	94.5	Very high	96.8	Very high	3 Å²	3	42 Å²	42	3%	0.031	25%	0.245	C	C	.	.			trans	-157.7	137.8	176.7	0	0	0	0	0	110.8	T96 N197	T96-G119 WeakPolarHBondContact CA-O 3.25Å; G119-N197 WeakPolarHBondContact CA-OD1 3.42Å
120	A	96.1	Very high	97	Very high	12 Å²	12	40.1 Å²	40.1	10%	0.099	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.4	176	0	0	0	0	0	110.5	Y94 M95 T96 W179 Y196 N197	Y94-A120 HydrophobicContact CD1-CB 3.98Å; Y94-A120 HydrophobicContact CG-CB 4.37Å; M95-A120 WeakPolarHBondContact O-CA 3.24Å; T96-A120 HydrophobicContact CG2-CB 4.19Å; A120-W179 HydrophobicContact CB-CH2 3.59Å; A120-W179 HydrophobicContact CB-CZ2 3.87Å; A120-W179 HydrophobicContact CB-CZ3 4.33Å; A120-Y196 HydrophobicContact CB-CD1 3.96Å; A120-Y196 HydrophobicContact CB-CE1 3.96Å; A120-N197 PolarHBondContact N-OD1 2.79Å
121	I	96.8	Very high	97	Very high	77 Å²	77	37.9 Å²	37.9	40%	0.395	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.1	175.7	-60.8	170.7	0	0	0	107.9	Y94 M95 Y98	Y94-I121 CarbonylContact C-O 3.44Å; Y94-I121 WeakPolarHBondContact CA-O 3.46Å; M95-I121 PolarHBondContact N-O 2.87Å; M95-I121 PolarHBondContact O-N 3.3Å; Y98-I121 HydrophobicContact CD1-CD1 4.12Å; Y98-I121 HydrophobicContact CD1-CG1 4.49Å; Y98-I121 HydrophobicContact CD2-CD1 4.38Å; Y98-I121 HydrophobicContact CE1-CD1 3.65Å; Y98-I121 HydrophobicContact CE1-CG1 3.74Å; Y98-I121 HydrophobicContact CE2-CD1 3.93Å; Y98-I121 HydrophobicContact CG-CD1 4.48Å
122	F	98.1	Very high	97.1	Very high	36 Å²	36	43.7 Å²	43.7	16%	0.158	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	138.8	-179.7	-175.6	-120.6	0	0	0	111.7	Y92 T93 Y94 P124 S127 G129 E131	Y92-F122 HydrophobicContact CD1-CE2 4.41Å; T93-F122 VanDerWaalsContact O-CD2 3.29Å; T93-F122 WeakPolarHBondContact O-CD2 3.44Å; Y94-F122 VanDerWaalsContact CD1-CA 3.48Å; Y94-F122 HydrophobicContact CD1-CB 3.86Å; Y94-F122 HydrophobicContact CD1-CD2 4.17Å; Y94-F122 HydrophobicContact CD2-CD2 4.2Å; Y94-F122 HydrophobicContact CE1-CB 3.57Å; Y94-F122 AromaticContact CE1-CD2 3.72Å; Y94-F122 HydrophobicContact CE1-CD2 3.72Å; Y94-F122 HydrophobicContact CE1-CG 4.06Å; Y94-F122 AromaticContact CE2-CD2 3.77Å; Y94-F122 HydrophobicContact CE2-CD2 3.77Å; Y94-F122 HydrophobicContact CE2-CE2 4.3Å; Y94-F122 HydrophobicContact CG-CD2 4.39Å; Y94-F122 AromaticContact CZ-CD2 3.5Å; Y94-F122 VanDerWaalsContact CZ-CD2 3.5Å; F122-P124 HydrophobicContact CD1-CG 3.78Å; F122-P124 HydrophobicContact CE1-CB 4.07Å; F122-P124 HydrophobicContact CE1-CG 3.79Å; F122-P124 WeakPolarHBondContact O-CD 3.27Å; F122-S127 VanDerWaalsContact CE2-OG 3.24Å; F122-S127 WeakPolarHBondContact CE2-OG 3.47Å; F122-S127 WeakPolarHBondContact CZ-OG 3.14Å; F122-G129 WeakPolarHBondContact CZ-O 3.39Å; F122-E131 HydrophobicContact CB-CG 4.3Å; F122-E131 HydrophobicContact CD1-CG 3.59Å; F122-E131 HydrophobicContact CD2-CG 3.76Å; F122-E131 HydrophobicContact CE1-CG 3.74Å; F122-E131 HydrophobicContact CE2-CG 3.9Å; F122-E131 HydrophobicContact CG-CG 3.6Å; F122-E131 HydrophobicContact CZ-CG 3.89Å
123	E	98.1	Very high	97.1	Very high	46 Å²	46	46.5 Å²	46.5	22%	0.215	27%	0.273	C	S	.	.			trans	-117	89.6	-179.4	-69.9	-71	179.2	0	0	110.3	Y63 T93 M95 S125 M126 S127	Y63-E123 HydrophobicContact CD1-CG 4.45Å; Y63-E123 HydrophobicContact CE1-CG 4.1Å; T93-E123 HydrophobicContact CG2-CB 4.13Å; T93-E123 PolarHBondContact O-N 3.34Å; M95-E123 HydrophobicContact CB-CG 4.27Å; E123-S125 VanDerWaalsContact C-N 3.28Å; E123-S125 PolarHBondContact O-N 3.14Å; E123-M126 HydrophobicContact CB-CB 4.34Å; E123-M126 PolarHBondContact O-N 3.42Å; E123-S127 PolarHBondContact O-N 2.87Å; E123-S127 PolarHBondContact O-OG 2.94Å
124	P	97.6	Very high	97.1	Very high	88 Å²	88	51.7 Å²	51.7	57%	0.571	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-61.4	-34.6	-176.1	-22.3	31.2	0	0	0	113.4	F122 M126 S127	F122-P124 HydrophobicContact CD1-CG 3.78Å; F122-P124 HydrophobicContact CE1-CB 4.07Å; F122-P124 HydrophobicContact CE1-CG 3.79Å; F122-P124 WeakPolarHBondContact O-CD 3.27Å; P124-M126 PolarHBondContact O-N 3.26Å; P124-S127 PolarHBondContact O-N 2.97Å
125	S	97.8	Very high	97.2	Very high	106 Å²	106	51.7 Å²	51.7	74%	0.741	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-67.6	-20	-178.4	58.2	0	0	0	0	113.6	E123	E123-S125 VanDerWaalsContact C-N 3.28Å; E123-S125 PolarHBondContact O-N 3.14Å
126	M	97.4	Very high	97.3	Very high	79 Å²	79	51.2 Å²	51.2	39%	0.389	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-110.7	12	179.3	-61.8	-178.2	63.3	0	0	112.1	Y63 T93 E123 P124	Y63-M126 HydrophobicContact CD1-SD 4.39Å; Y63-M126 HydrophobicContact CE1-SD 4.02Å; Y63-M126 HydrophobicContact CG-CE 4.48Å; T93-M126 WeakPolarHBondContact CB-O 3.12Å; T93-M126 HydrophobicContact CG2-CB 3.86Å; T93-M126 HydrophobicContact CG2-CE 4.32Å; T93-M126 HydrophobicContact CG2-SD 4.5Å; T93-M126 PolarHBondContact OG1-O 3.06Å; E123-M126 HydrophobicContact CB-CB 4.34Å; E123-M126 PolarHBondContact O-N 3.42Å; P124-M126 PolarHBondContact O-N 3.26Å
127	S	98.4	Very high	97.4	Very high	21 Å²	21	50 Å²	50	15%	0.147	28%	0.284	C	S	.	.	S	Bend	trans	-115.3	150	-176.1	-61.4	0	0	0	0	111.4	P91 T93 F122 E123 P124 G129	P91-S127 CarbonylContact O-C 3.5Å; P91-S127 VanDerWaalsContact O-CA 3.3Å; P91-S127 WeakPolarHBondContact O-CA 3.47Å; T93-S127 PolarHBondContact N-OG 3.32Å; F122-S127 VanDerWaalsContact CE2-OG 3.24Å; F122-S127 WeakPolarHBondContact CE2-OG 3.47Å; F122-S127 WeakPolarHBondContact CZ-OG 3.14Å; E123-S127 PolarHBondContact O-N 2.87Å; E123-S127 PolarHBondContact O-OG 2.94Å; P124-S127 PolarHBondContact O-N 2.97Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 3.02Å
128	V	98.3	Very high	97.6	Very high	95 Å²	95	49 Å²	49	58%	0.576	28%	0.278	S	S	*	.	S	Bend	trans	-70.8	-24.8	178.3	70.4	0	0	0	0	112.8	P91 Y92	P91-V128 PolarHBondContact O-N 2.91Å; Y92-V128 HydrophobicContact CE1-CG1 4.3Å; Y92-V128 HydrophobicContact CE2-CG1 4.15Å
129	G	97.5	Very high	97.8	Very high	24 Å²	24	47.7 Å²	47.7	25%	0.247	27%	0.271	C	S	.	.	S	Bend	trans	-164.4	-169	-176.7	0	0	0	0	0	111.9	F122 S127 D133	F122-G129 WeakPolarHBondContact CZ-O 3.39Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 3.02Å; G129-D133 WeakPolarHBondContact CA-OD2 3.3Å
130	A	98.1	Very high	97.9	Very high	41 Å²	41	48.3 Å²	48.3	34%	0.339	27%	0.273	S	S	.	.			trans	-90.6	161.2	-176.1	0	0	0	0	0	111.7	Y92 E132 D133	Y92-A130 WeakPolarHBondContact CE1-O 3.47Å; A130-E132 VanDerWaalsContact CB-OE2 3.32Å; A130-E132 WeakPolarHBondContact CB-OE2 3.46Å; A130-E132 PolarHBondContact O-N 2.83Å; A130-E132 VanDerWaalsContact O-N 3.1Å; A130-D133 PolarHBondContact N-OD2 3.15Å; A130-D133 WeakPolarHBondContact O-CB 3.38Å; A130-D133 VanDerWaalsContact O-CG 3.28Å; A130-D133 PolarHBondContact O-N 3.07Å; A130-D133 VanDerWaalsContact O-N 3.08Å
131	E	97.5	Very high	97.9	Very high	28 Å²	28	47.8 Å²	47.8	13%	0.131	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.1	177.9	-51.2	-175	87.1	0	0	112.5	Y94 F122 D133 S173 V174 K175	Y94-E131 WeakPolarHBondContact CE1-OE1 3.16Å; Y94-E131 VanDerWaalsContact CZ-OE1 3.3Å; Y94-E131 PolarHBondContact OH-OE1 2.9Å; F122-E131 HydrophobicContact CB-CG 4.3Å; F122-E131 HydrophobicContact CD1-CG 3.59Å; F122-E131 HydrophobicContact CD2-CG 3.76Å; F122-E131 HydrophobicContact CE1-CG 3.74Å; F122-E131 HydrophobicContact CE2-CG 3.9Å; F122-E131 HydrophobicContact CG-CG 3.6Å; F122-E131 HydrophobicContact CZ-CG 3.89Å; E131-D133 VanDerWaalsContact C-N 3.31Å; E131-S173 WeakPolarHBondContact O-CB 3.41Å; E131-V174 PolarHBondContact O-N 2.78Å; E131-V174 VanDerWaalsContact O-N 3.17Å; E131-K175 HydrophobicContact CB-CB 3.86Å; E131-K175 HydrophobicContact CB-CG 4.43Å; E131-K175 PolarHBondContact O-N 3.05Å
132	E	98.4	Very high	97.9	Very high	123 Å²	123	44.1 Å²	44.1	58%	0.575	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.7	176.2	-65.1	71.4	-153.5	0	0	114	A130 K134	A130-E132 VanDerWaalsContact CB-OE2 3.32Å; A130-E132 WeakPolarHBondContact CB-OE2 3.46Å; A130-E132 PolarHBondContact O-N 2.83Å; A130-E132 VanDerWaalsContact O-N 3.1Å; E132-K134 PolarHBondContact O-N 2.72Å
133	D	98.5	Very high	97.8	Very high	59 Å²	59	42.4 Å²	42.4	32%	0.316	24%	0.243	S	C	.	.			trans	-56	133.1	177.1	-75.7	-11.9	0	0	0	110.8	Y92 G129 A130 E131 S173 V174	Y92-D133 HydrophobicContact CE1-CB 4.21Å; Y92-D133 VanDerWaalsContact OH-CB 3.26Å; Y92-D133 WeakPolarHBondContact OH-CB 3.32Å; Y92-D133 PolarHBondContact OH-OD2 3.44Å; G129-D133 WeakPolarHBondContact CA-OD2 3.3Å; A130-D133 PolarHBondContact N-OD2 3.15Å; A130-D133 WeakPolarHBondContact O-CB 3.38Å; A130-D133 VanDerWaalsContact O-CG 3.28Å; A130-D133 PolarHBondContact O-N 3.07Å; A130-D133 VanDerWaalsContact O-N 3.08Å; E131-D133 VanDerWaalsContact C-N 3.31Å; D133-S173 CarbonylContact O-C 3.43Å; D133-S173 WeakPolarHBondContact O-CA 3.08Å; D133-V174 HydrophobicContact CB-CG2 4.26Å; D133-V174 PolarHBondContact O-N 3.33Å
134	K	98.4	Very high	97.6	Very high	133 Å²	133	40.7 Å²	40.7	58%	0.578	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.3	-173.1	-66.1	-170.1	178.8	-174.3	0	112.3	E132 R171 R172	E132-K134 PolarHBondContact O-N 2.72Å; K134-R171 HydrophobicContact CB-CG 4.18Å; K134-R172 CarbonylContact C-O 3.52Å; K134-R172 WeakPolarHBondContact CA-O 3.29Å
135	I	98.4	Very high	97.4	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135	178.1	-55.1	-56.2	0	0	0	109.8	L68 E70 R89 R171 R172 V174 L177	L68-I135 HydrophobicContact CB-CG1 4.42Å; L68-I135 HydrophobicContact CB-CG2 4.23Å; L68-I135 HydrophobicContact CD2-CG1 4.3Å; E70-I135 HydrophobicContact CB-CG2 3.94Å; E70-I135 HydrophobicContact CG-CG2 4.31Å; R89-I135 HydrophobicContact CB-CD1 3.84Å; R89-I135 HydrophobicContact CG-CD1 3.78Å; I135-R171 WeakPolarHBondContact O-CA 3.38Å; I135-R172 PolarHBondContact N-O 2.91Å; I135-R172 PolarHBondContact O-N 3.38Å; I135-R172 VanDerWaalsContact O-N 3.07Å; I135-V174 HydrophobicContact CG1-CG2 3.95Å; I135-L177 HydrophobicContact CB-CD1 3.89Å; I135-L177 HydrophobicContact CG2-CD1 4.35Å
136	T	98.7	Very high	97.2	Very high	19 Å²	19	32.6 Å²	32.6	12%	0.117	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	118.6	169.2	-52.5	0	0	0	0	108.9	E70 V71 P74 F169 Q170	E70-T136 CarbonylContact C-O 3.42Å; E70-T136 WeakPolarHBondContact CA-O 3.29Å; V71-T136 HydrophobicContact CB-CG2 4.43Å; V71-T136 PolarHBondContact N-O 2.89Å; P74-T136 HydrophobicContact CB-CG2 4.27Å; P74-T136 HydrophobicContact CG-CG2 4.18Å; T136-F169 HydrophobicContact CG2-CB 4.33Å; T136-Q170 CarbonylContact C-O 3.56Å; T136-Q170 VanDerWaalsContact CA-O 3.28Å; T136-Q170 WeakPolarHBondContact CA-O 3.33Å
137	T	98.2	Very high	97	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	-179.6	-177.4	-165.5	0	0	0	0	111.3	F169 Q170 L177 F192	T137-F169 CarbonylContact O-C 3.6Å; T137-F169 VanDerWaalsContact O-CA 3.28Å; T137-F169 WeakPolarHBondContact O-CA 3.32Å; T137-Q170 PolarHBondContact N-O 3.48Å; T137-Q170 PolarHBondContact O-N 3.1Å; T137-L177 HydrophobicContact CG2-CD1 3.84Å; T137-L177 HydrophobicContact CG2-CD2 3.56Å; T137-L177 HydrophobicContact CG2-CG 4.37Å; T137-F192 HydrophobicContact CG2-CZ 4.36Å
138	L	98.3	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	138.9	179	-170.9	70.5	0	0	0	111.2	L140 A143 L168 F169 Q170 M384 Y386 F404 L406	L138-L140 PolarHBondContact O-N 3.19Å; L138-A143 HydrophobicContact CD2-CB 3.7Å; L138-A143 HydrophobicContact CG-CB 4.15Å; L138-L168 HydrophobicContact CD1-CD1 3.67Å; L138-L168 HydrophobicContact CD1-CG 4.1Å; L138-F169 HydrophobicContact CD1-CE1 4.29Å; L138-Q170 PolarHBondContact O-NE2 3.38Å; L138-M384 HydrophobicContact CD2-CB 3.92Å; L138-M384 HydrophobicContact CD2-CG 4.16Å; L138-M384 HydrophobicContact CD2-SD 4.23Å; L138-Y386 HydrophobicContact CD1-CD1 3.57Å; L138-Y386 HydrophobicContact CD1-CE1 3.81Å; L138-Y386 HydrophobicContact CD1-CG 4.36Å; L138-Y386 HydrophobicContact CD2-CD1 4.09Å; L138-F404 HydrophobicContact CB-CD1 3.77Å; L138-F404 HydrophobicContact CB-CE1 4.01Å; L138-F404 HydrophobicContact CD2-CB 4.3Å; L138-F404 HydrophobicContact CD2-CD1 4.28Å; L138-F404 HydrophobicContact CG-CD1 4.49Å; L138-L406 HydrophobicContact CB-CD2 3.71Å; L138-L406 HydrophobicContact CD2-CD2 4.25Å
139	N	98.1	Very high	96.3	Very high	5 Å²	5	31 Å²	31	3%	0.027	18%	0.181	C	C	.	.			trans	-76.4	107	170	-172.5	-30.4	0	0	0	109.8	A141 V142 A143 S167 L168 Q170	N139-A141 VanDerWaalsContact C-N 3.3Å; N139-A141 PolarHBondContact O-N 3.1Å; N139-A141 WeakPolarHBondContact OD1-CB 3.26Å; N139-A141 PolarHBondContact OD1-N 2.85Å; N139-A141 VanDerWaalsContact OD1-N 3.08Å; N139-V142 HydrophobicContact CB-CB 4.07Å; N139-V142 HydrophobicContact CB-CG2 3.96Å; N139-V142 PolarHBondContact O-N 2.99Å; N139-V142 PolarHBondContact OD1-N 3.27Å; N139-A143 PolarHBondContact O-N 3.26Å; N139-S167 VanDerWaalsContact CB-O 3.23Å; N139-S167 WeakPolarHBondContact CB-O 3.42Å; N139-S167 PolarHBondContact ND2-O 3.31Å; N139-L168 VanDerWaalsContact CB-O 3.31Å; N139-L168 WeakPolarHBondContact CB-O 3.21Å; N139-L168 PolarHBondContact N-O 2.88Å; N139-Q170 HydrophobicContact CB-CB 4.3Å; N139-Q170 HydrophobicContact CB-CG 4.16Å
140	L	97.1	Very high	96	Very high	16 Å²	16	33.3 Å²	33.3	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-36.3	-175.8	-55.1	-179.3	0	0	0	112.3	L138 G144 L190 F192 M384 L406	L138-L140 PolarHBondContact O-N 3.19Å; L140-G144 WeakPolarHBondContact O-CA 3.37Å; L140-G144 PolarHBondContact O-N 3.26Å; L140-L190 HydrophobicContact CB-CD1 4.18Å; L140-F192 HydrophobicContact CD1-CD1 3.73Å; L140-F192 HydrophobicContact CD1-CE1 3.74Å; L140-F192 HydrophobicContact CD2-CD1 4.4Å; L140-F192 HydrophobicContact CD2-CE1 3.93Å; L140-F192 HydrophobicContact CG-CE1 4.24Å; L140-M384 HydrophobicContact CB-SD 4.29Å; L140-M384 HydrophobicContact CD2-SD 3.57Å; L140-M384 VanDerWaalsContact CD2-SD 3.57Å; L140-M384 WeakPolarHBondContact O-CE 3.49Å; L140-L406 HydrophobicContact CD2-CD1 3.7Å; L140-L406 HydrophobicContact CD2-CD2 4.09Å
141	A	96.3	Very high	95.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-42.3	176.9	0	0	0	0	0	111.4	N139 A145 D183 I185 L186 L190	N139-A141 VanDerWaalsContact C-N 3.3Å; N139-A141 PolarHBondContact O-N 3.1Å; N139-A141 WeakPolarHBondContact OD1-CB 3.26Å; N139-A141 PolarHBondContact OD1-N 2.85Å; N139-A141 VanDerWaalsContact OD1-N 3.08Å; A141-A145 WeakPolarHBondContact O-CB 3.23Å; A141-A145 PolarHBondContact O-N 2.73Å; A141-D183 VanDerWaalsContact CB-OD1 3.23Å; A141-D183 WeakPolarHBondContact CB-OD1 3.45Å; A141-D183 VanDerWaalsContact CB-OD2 3.27Å; A141-D183 WeakPolarHBondContact CB-OD2 3.12Å; A141-I185 HydrophobicContact CB-CB 4.26Å; A141-I185 HydrophobicContact CB-CD1 4.06Å; A141-L186 HydrophobicContact CB-CD1 4.28Å; A141-L186 HydrophobicContact CB-CG 4.18Å; A141-L190 HydrophobicContact CB-CD1 3.64Å
142	V	96.5	Very high	95.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-50.4	179.4	174.3	0	0	0	0	111	N139 Y146 I161 L168 I185 V394	N139-V142 HydrophobicContact CB-CB 4.07Å; N139-V142 HydrophobicContact CB-CG2 3.96Å; N139-V142 PolarHBondContact O-N 2.99Å; N139-V142 PolarHBondContact OD1-N 3.27Å; V142-Y146 WeakPolarHBondContact O-CB 3.39Å; V142-Y146 PolarHBondContact O-N 3.13Å; V142-I161 HydrophobicContact CB-CD1 4.46Å; V142-I161 HydrophobicContact CG1-CD1 3.98Å; V142-I161 HydrophobicContact CG2-CD1 4.02Å; V142-I161 HydrophobicContact CG2-CG1 4.08Å; V142-L168 HydrophobicContact CG1-CD1 4.25Å; V142-I185 HydrophobicContact CG2-CD1 3.83Å; V142-V394 HydrophobicContact CG1-CG2 3.96Å
143	A	96.2	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-39	179.6	0	0	0	0	0	112.3	L138 N139 S147 M384	L138-A143 HydrophobicContact CD2-CB 3.7Å; L138-A143 HydrophobicContact CG-CB 4.15Å; N139-A143 PolarHBondContact O-N 3.26Å; A143-S147 PolarHBondContact O-N 3.2Å; A143-S147 PolarHBondContact O-OG 3.31Å; A143-M384 HydrophobicContact CB-CE 3.94Å; A143-M384 HydrophobicContact CB-CG 4.15Å; A143-M384 HydrophobicContact CB-SD 3.8Å
144	G	94.8	Very high	95.3	Very high	10 Å²	10	39 Å²	39	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-49.5	177.1	0	0	0	0	0	111.8	L140 Y146 S147 A148 M384	L140-G144 WeakPolarHBondContact O-CA 3.37Å; L140-G144 PolarHBondContact O-N 3.26Å; G144-Y146 VanDerWaalsContact C-N 3.33Å; G144-Y146 PolarHBondContact O-N 2.96Å; G144-S147 PolarHBondContact O-N 3.45Å; G144-A148 VanDerWaalsContact O-CB 3.23Å; G144-A148 WeakPolarHBondContact O-CB 3.45Å; G144-A148 PolarHBondContact O-N 2.84Å; G144-M384 VanDerWaalsContact CA-CE 3.42Å
145	A	93.8	Very high	95.2	Very high	7 Å²	7	36 Å²	36	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-39.5	177.4	0	0	0	0	0	112.1	A141 S147 I149 V157	A141-A145 WeakPolarHBondContact O-CB 3.23Å; A141-A145 PolarHBondContact O-N 2.73Å; A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.75Å; A145-I149 HydrophobicContact CB-CD1 4.04Å; A145-I149 VanDerWaalsContact O-CB 3.26Å; A145-I149 WeakPolarHBondContact O-CB 2.96Å; A145-I149 PolarHBondContact O-N 2.96Å; A145-I149 VanDerWaalsContact O-N 3.08Å; A145-V157 HydrophobicContact CB-CG1 3.86Å
146	Y	93.2	Very high	95.1	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-55.6	-41.9	175	168.3	-104	0	0	0	112.5	V142 G144 H154 M385 G387 P388 I392 L395	V142-Y146 WeakPolarHBondContact O-CB 3.39Å; V142-Y146 PolarHBondContact O-N 3.13Å; G144-Y146 VanDerWaalsContact C-N 3.33Å; G144-Y146 PolarHBondContact O-N 2.96Å; Y146-H154 AromaticContact CD2-CE1 3.72Å; Y146-H154 AromaticContact CE2-CE1 3.94Å; Y146-H154 PolarHBondContact O-CE1 3.26Å; Y146-H154 PolarHBondContact O-NE2 2.94Å; Y146-M385 HydrophobicContact CE1-SD 4.36Å; Y146-G387 VanDerWaalsContact CE1-N 3.26Å; Y146-G387 WeakPolarHBondContact OH-CA 3.17Å; Y146-P388 PolarHBondContact OH-O 3.34Å; Y146-I392 HydrophobicContact CD2-CD1 4.01Å; Y146-L395 HydrophobicContact CD2-CD1 3.48Å; Y146-L395 VanDerWaalsContact CD2-CD1 3.48Å; Y146-L395 HydrophobicContact CE2-CD1 4.07Å; Y146-L395 HydrophobicContact CG-CD1 3.76Å
147	S	91.8	Very high	94.9	Very high	42 Å²	42	39.1 Å²	39.1	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-89.5	-35	-175.1	-57.5	0	0	0	0	113.5	A143 G144 A145 P331	A143-S147 PolarHBondContact O-N 3.2Å; A143-S147 PolarHBondContact O-OG 3.31Å; G144-S147 PolarHBondContact O-N 3.45Å; A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.75Å; S147-P331 WeakPolarHBondContact OG-CB 3.37Å; S147-P331 WeakPolarHBondContact OG-CG 3.28Å
148	A	90.6	Very high	94.9	Very high	64 Å²	64	39.9 Å²	39.9	53%	0.529	23%	0.226	S	C	.	.	H	α-helix	trans	-84.7	-24.6	-174.9	0	0	0	0	0	113.3	G144	G144-A148 VanDerWaalsContact O-CB 3.23Å; G144-A148 WeakPolarHBondContact O-CB 3.45Å; G144-A148 PolarHBondContact O-N 2.84Å
149	I	91.8	Very high	94.8	Very high	57 Å²	57	42.5 Å²	42.5	29%	0.292	25%	0.248	S	C	.	.	S	Bend	trans	-97.2	132.4	-178.7	-61.2	175.6	0	0	0	109.5	A145 L153 H154 V157	A145-I149 HydrophobicContact CB-CD1 4.04Å; A145-I149 VanDerWaalsContact O-CB 3.26Å; A145-I149 WeakPolarHBondContact O-CB 2.96Å; A145-I149 PolarHBondContact O-N 2.96Å; A145-I149 VanDerWaalsContact O-N 3.08Å; I149-L153 HydrophobicContact CG2-CB 3.71Å; I149-L153 HydrophobicContact CG2-CD1 4.47Å; I149-H154 PolarHBondContact O-CD2 3.42Å; I149-H154 PolarHBondContact O-NE2 2.82Å; I149-V157 HydrophobicContact CB-CG2 4.08Å; I149-V157 HydrophobicContact CD1-CG2 3.54Å; I149-V157 HydrophobicContact CG1-CG2 4.39Å; I149-V157 HydrophobicContact CG2-CG2 3.88Å
150	P	92.6	Very high	94.7	Very high	72 Å²	72	46.4 Å²	46.4	47%	0.468	27%	0.267	S	S	.	.			trans	-53.6	143.8	177.2	-26	33.8	0	0	0	113.1	E152 L153 H154	P150-E152 WeakPolarHBondContact CB-OE2 3.37Å; P150-E152 PolarHBondContact O-N 2.76Å; P150-E152 VanDerWaalsContact O-N 3.12Å; P150-L153 PolarHBondContact O-N 2.79Å; P150-H154 PolarHBondContact O-CD2 2.92Å
151	E	91.9	Very high	94.7	Very high	124 Å²	124	45.7 Å²	45.7	58%	0.579	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-56.2	-31.7	-176.2	-70.7	-173.2	-171.7	0	0	112.6	L153 H154	E151-L153 PolarHBondContact O-N 2.9Å; E151-H154 WeakPolarHBondContact O-CB 3.38Å; E151-H154 PolarHBondContact O-N 2.85Å; E151-H154 VanDerWaalsContact O-N 3.16Å
152	E	93.9	Very high	94.7	Very high	155 Å²	155	51.3 Å²	51.3	72%	0.724	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-63.3	-25	178.5	-56.6	77.5	-168	0	0	112.8	P150	P150-E152 WeakPolarHBondContact CB-OE2 3.37Å; P150-E152 PolarHBondContact O-N 2.76Å; P150-E152 VanDerWaalsContact O-N 3.12Å
153	L	95.6	Very high	94.7	Very high	82 Å²	82	56 Å²	56	43%	0.429	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-101.2	4.1	-179.3	-59.7	-179.9	0	0	0	112.9	I149 P150 E151 S155 I156 V157	I149-L153 HydrophobicContact CG2-CB 3.71Å; I149-L153 HydrophobicContact CG2-CD1 4.47Å; P150-L153 PolarHBondContact O-N 2.79Å; E151-L153 PolarHBondContact O-N 2.9Å; L153-S155 PolarHBondContact O-N 3.1Å; L153-S155 VanDerWaalsContact O-N 3.1Å; L153-I156 HydrophobicContact CD2-CD1 3.99Å; L153-I156 WeakPolarHBondContact O-CB 3.31Å; L153-I156 PolarHBondContact O-N 2.74Å; L153-V157 PolarHBondContact O-N 3.33Å
154	H	95.6	Very high	94.7	Very high	8 Å²	8	58 Å²	58	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-21.3	-179.8	-78.8	-164.6	0	0	0	113.7	Y146 I149 P150 E151 I156 V157 D158 V391 I392	Y146-H154 AromaticContact CD2-CE1 3.72Å; Y146-H154 AromaticContact CE2-CE1 3.94Å; Y146-H154 PolarHBondContact O-CE1 3.26Å; Y146-H154 PolarHBondContact O-NE2 2.94Å; I149-H154 PolarHBondContact O-CD2 3.42Å; I149-H154 PolarHBondContact O-NE2 2.82Å; P150-H154 PolarHBondContact O-CD2 2.92Å; E151-H154 WeakPolarHBondContact O-CB 3.38Å; E151-H154 PolarHBondContact O-N 2.85Å; E151-H154 VanDerWaalsContact O-N 3.16Å; H154-I156 VanDerWaalsContact C-N 3.31Å; H154-V157 WeakPolarHBondContact O-CB 3.02Å; H154-V157 PolarHBondContact O-N 3.28Å; H154-D158 WeakPolarHBondContact O-CB 3.46Å; H154-D158 PolarHBondContact O-N 2.76Å; H154-V391 HydrophobicContact CB-CB 4.12Å; H154-V391 HydrophobicContact CB-CG1 4.04Å; H154-I392 HydrophobicContact CB-CD1 4.09Å; H154-I392 HydrophobicContact CB-CG1 4.15Å
155	S	96.5	Very high	94.7	Very high	70 Å²	70	65 Å²	65	49%	0.49	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-34	173	57.4	0	0	0	0	112.4	L153 A159	L153-S155 PolarHBondContact O-N 3.1Å; L153-S155 VanDerWaalsContact O-N 3.1Å; S155-A159 WeakPolarHBondContact O-CB 3.43Å; S155-A159 PolarHBondContact O-N 3.21Å; S155-A159 VanDerWaalsContact O-N 3.07Å
156	I	95.5	Very high	94.8	Very high	86 Å²	86	65.6 Å²	65.6	44%	0.441	37%	0.372	S	S	.	.	H	α-helix	trans	-70.1	-43	174	-58.3	176.9	0	0	0	109.5	L153 H154 D158 A159 M160	L153-I156 HydrophobicContact CD2-CD1 3.99Å; L153-I156 WeakPolarHBondContact O-CB 3.31Å; L153-I156 PolarHBondContact O-N 2.74Å; H154-I156 VanDerWaalsContact C-N 3.31Å; I156-D158 PolarHBondContact O-N 3.47Å; I156-A159 PolarHBondContact O-N 3.24Å; I156-M160 HydrophobicContact CG2-CE 3.73Å; I156-M160 HydrophobicContact CG2-SD 4.38Å; I156-M160 WeakPolarHBondContact O-CG 3.38Å; I156-M160 PolarHBondContact O-N 3.09Å
157	V	95.4	Very high	95	Very high	4 Å²	4	67 Å²	67	2%	0.024	38%	0.384	C	S	.	.	H	α-helix	trans	-58.6	-48.5	175.9	-178	0	0	0	0	110.6	A145 I149 L153 H154 A159 M160 I161 I392	A145-V157 HydrophobicContact CB-CG1 3.86Å; I149-V157 HydrophobicContact CB-CG2 4.08Å; I149-V157 HydrophobicContact CD1-CG2 3.54Å; I149-V157 HydrophobicContact CG1-CG2 4.39Å; I149-V157 HydrophobicContact CG2-CG2 3.88Å; L153-V157 PolarHBondContact O-N 3.33Å; H154-V157 WeakPolarHBondContact O-CB 3.02Å; H154-V157 PolarHBondContact O-N 3.28Å; V157-A159 VanDerWaalsContact C-N 3.33Å; V157-A159 PolarHBondContact O-N 2.74Å; V157-M160 PolarHBondContact O-N 2.8Å; V157-I161 HydrophobicContact CG1-CD1 3.8Å; V157-I161 HydrophobicContact CG1-CG1 4.41Å; V157-I161 VanDerWaalsContact O-CG1 3.26Å; V157-I161 WeakPolarHBondContact O-CG1 3.29Å; V157-I161 PolarHBondContact O-N 2.72Å; V157-I392 HydrophobicContact CB-CD1 4.28Å; V157-I392 HydrophobicContact CB-CG1 4.49Å; V157-I392 HydrophobicContact CG1-CD1 3.97Å; V157-I392 HydrophobicContact CG1-CG1 4.41Å
158	D	97.4	Very high	95.3	Very high	17 Å²	17	65 Å²	65	9%	0.091	37%	0.37	C	S	.	.	H	α-helix	trans	-59.4	-41.4	176.3	-176.9	68.1	0	0	0	112.4	H154 I156 I161 K162 I392 T393	H154-D158 WeakPolarHBondContact O-CB 3.46Å; H154-D158 PolarHBondContact O-N 2.76Å; I156-D158 PolarHBondContact O-N 3.47Å; D158-I161 PolarHBondContact O-N 3.47Å; D158-K162 WeakPolarHBondContact O-CB 3.39Å; D158-K162 WeakPolarHBondContact O-CG 3.27Å; D158-K162 PolarHBondContact O-N 2.58Å; D158-K162 IonicContact OD1-NZ 3.67Å; D158-K162 WeakPolarHBondContact OD2-CE 3.47Å; D158-K162 IonicContact OD2-NZ 2.65Å; D158-K162 PolarHBondContact OD2-NZ 3.31Å; D158-I392 HydrophobicContact CB-CG1 4.3Å; D158-T393 VanDerWaalsContact OD1-CB 3.25Å; D158-T393 WeakPolarHBondContact OD1-CB 3.42Å; D158-T393 PolarHBondContact OD1-N 3.29Å; D158-T393 PolarHBondContact OD1-OG1 3.5Å; D158-T393 PolarHBondContact OD2-OG1 3.44Å
159	A	97	Very high	95.7	Very high	56 Å²	56	62.6 Å²	62.6	46%	0.463	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-40	176.6	0	0	0	0	0	112.6	S155 I156 V157 S163	S155-A159 WeakPolarHBondContact O-CB 3.43Å; S155-A159 PolarHBondContact O-N 3.21Å; S155-A159 VanDerWaalsContact O-N 3.07Å; I156-A159 PolarHBondContact O-N 3.24Å; V157-A159 VanDerWaalsContact C-N 3.33Å; V157-A159 PolarHBondContact O-N 2.74Å; A159-S163 WeakPolarHBondContact O-CB 3.43Å; A159-S163 PolarHBondContact O-N 3.4Å; A159-S163 PolarHBondContact O-OG 3.28Å
160	M	96	Very high	95.9	Very high	86 Å²	86	60.9 Å²	60.9	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-68.8	-40.9	175.9	-69.3	178	177.7	0	0	112.5	I156 V157 K162 S163 T164 I185	I156-M160 HydrophobicContact CG2-CE 3.73Å; I156-M160 HydrophobicContact CG2-SD 4.38Å; I156-M160 WeakPolarHBondContact O-CG 3.38Å; I156-M160 PolarHBondContact O-N 3.09Å; V157-M160 PolarHBondContact O-N 2.8Å; M160-K162 VanDerWaalsContact C-N 3.32Å; M160-K162 PolarHBondContact O-N 2.74Å; M160-S163 PolarHBondContact O-N 3.07Å; M160-S163 PolarHBondContact O-OG 2.94Å; M160-S163 VanDerWaalsContact O-OG 3.08Å; M160-T164 WeakPolarHBondContact O-CG2 3.31Å; M160-T164 PolarHBondContact O-N 2.88Å; M160-T164 VanDerWaalsContact O-N 3.15Å; M160-T164 PolarHBondContact O-OG1 2.76Å; M160-I185 HydrophobicContact CB-CG2 4.21Å
161	I	96.8	Very high	96.2	Very high	2 Å²	2	65 Å²	65	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-46.1	175.1	-69.4	169.9	0	0	0	109.9	V142 V157 D158 T164 N165 S166 I185 I392 V394	V142-I161 HydrophobicContact CB-CD1 4.46Å; V142-I161 HydrophobicContact CG1-CD1 3.98Å; V142-I161 HydrophobicContact CG2-CD1 4.02Å; V142-I161 HydrophobicContact CG2-CG1 4.08Å; V157-I161 HydrophobicContact CG1-CD1 3.8Å; V157-I161 HydrophobicContact CG1-CG1 4.41Å; V157-I161 VanDerWaalsContact O-CG1 3.26Å; V157-I161 WeakPolarHBondContact O-CG1 3.29Å; V157-I161 PolarHBondContact O-N 2.72Å; D158-I161 PolarHBondContact O-N 3.47Å; I161-T164 PolarHBondContact O-OG1 2.91Å; I161-T164 VanDerWaalsContact O-OG1 3.13Å; I161-N165 PolarHBondContact O-N 2.87Å; I161-S166 VanDerWaalsContact CG2-O 3.29Å; I161-S166 WeakPolarHBondContact CG2-O 3.29Å; I161-S166 PolarHBondContact O-N 2.92Å; I161-I185 HydrophobicContact CG1-CD1 3.86Å; I161-I392 HydrophobicContact CD1-CG2 3.84Å; I161-V394 HydrophobicContact CD1-CG2 4.29Å; I161-V394 HydrophobicContact CG2-CG1 4.08Å; I161-V394 HydrophobicContact CG2-CG2 4.16Å
162	K	96.5	Very high	96.5	Very high	118 Å²	118	61.8 Å²	61.8	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-44.3	178.5	-75.2	171.8	176.7	165.4	0	112.9	D158 M160 T164 N165 T393	D158-K162 WeakPolarHBondContact O-CB 3.39Å; D158-K162 WeakPolarHBondContact O-CG 3.27Å; D158-K162 PolarHBondContact O-N 2.58Å; D158-K162 IonicContact OD1-NZ 3.67Å; D158-K162 WeakPolarHBondContact OD2-CE 3.47Å; D158-K162 IonicContact OD2-NZ 2.65Å; D158-K162 PolarHBondContact OD2-NZ 3.31Å; M160-K162 VanDerWaalsContact C-N 3.32Å; M160-K162 PolarHBondContact O-N 2.74Å; K162-T164 PolarHBondContact O-N 3.08Å; K162-N165 PolarHBondContact O-N 3.4Å; K162-N165 VanDerWaalsContact O-N 3.11Å; K162-T393 WeakPolarHBondContact CE-OG1 3.45Å; K162-T393 PolarHBondContact NZ-OG1 2.97Å
163	S	96.4	Very high	96.7	Very high	100 Å²	100	55.1 Å²	55.1	70%	0.699	30%	0.297	S	S	*	.	H	α-helix	trans	-66	-28.7	-177.8	69.9	0	0	0	0	112.9	A159 M160	A159-S163 WeakPolarHBondContact O-CB 3.43Å; A159-S163 PolarHBondContact O-N 3.4Å; A159-S163 PolarHBondContact O-OG 3.28Å; M160-S163 PolarHBondContact O-N 3.07Å; M160-S163 PolarHBondContact O-OG 2.94Å; M160-S163 VanDerWaalsContact O-OG 3.08Å
164	T	95.6	Very high	96.9	Very high	43 Å²	43	51.2 Å²	51.2	26%	0.264	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.2	176.4	58	0	0	0	0	113.5	M160 I161 K162 S166 P184 I185	M160-T164 WeakPolarHBondContact O-CG2 3.31Å; M160-T164 PolarHBondContact O-N 2.88Å; M160-T164 VanDerWaalsContact O-N 3.15Å; M160-T164 PolarHBondContact O-OG1 2.76Å; I161-T164 PolarHBondContact O-OG1 2.91Å; I161-T164 VanDerWaalsContact O-OG1 3.13Å; K162-T164 PolarHBondContact O-N 3.08Å; T164-S166 PolarHBondContact O-N 3.03Å; T164-S166 PolarHBondContact OG1-OG 2.99Å; T164-P184 HydrophobicContact CG2-CB 3.96Å; T164-P184 WeakPolarHBondContact CG2-O 3.01Å; T164-I185 HydrophobicContact CG2-CG1 4.33Å; T164-I185 WeakPolarHBondContact OG1-CG1 3.28Å
165	N	95.3	Very high	97	Very high	155 Å²	155	55.7 Å²	55.7	83%	0.829	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	36.1	-172.9	-163.2	36.8	0	0	0	113	I161 K162	I161-N165 PolarHBondContact O-N 2.87Å; K162-N165 PolarHBondContact O-N 3.4Å; K162-N165 VanDerWaalsContact O-N 3.11Å
166	S	96.6	Very high	97	Very high	20 Å²	20	55 Å²	55	14%	0.14	29%	0.286	C	S	.	.			trans	-81.7	151.7	178.7	-66	0	0	0	0	111.3	I161 T164	I161-S166 VanDerWaalsContact CG2-O 3.29Å; I161-S166 WeakPolarHBondContact CG2-O 3.29Å; I161-S166 PolarHBondContact O-N 2.92Å; T164-S166 PolarHBondContact O-N 3.03Å; T164-S166 PolarHBondContact OG1-OG 2.99Å
167	S	97.1	Very high	97.2	Very high	45 Å²	45	51 Å²	51	32%	0.315	27%	0.265	S	S	.	.			trans	-124.6	172.8	174.6	-170.5	0	0	0	0	111	N139 F169	N139-S167 VanDerWaalsContact CB-O 3.23Å; N139-S167 WeakPolarHBondContact CB-O 3.42Å; N139-S167 PolarHBondContact ND2-O 3.31Å; S167-F169 PolarHBondContact O-N 3.2Å
168	L	97.4	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-59.9	-32.5	175.1	-179.6	57.8	0	0	0	112.1	V77 V78 L138 N139 V142 Y386 V394 L395 V398	V77-L168 HydrophobicContact CG1-CD2 4.45Å; V78-L168 HydrophobicContact CG2-CB 3.79Å; V78-L168 HydrophobicContact CG2-CD2 4.39Å; L138-L168 HydrophobicContact CD1-CD1 3.67Å; L138-L168 HydrophobicContact CD1-CG 4.1Å; N139-L168 VanDerWaalsContact CB-O 3.31Å; N139-L168 WeakPolarHBondContact CB-O 3.21Å; N139-L168 PolarHBondContact N-O 2.88Å; V142-L168 HydrophobicContact CG1-CD1 4.25Å; L168-Y386 HydrophobicContact CD1-CD2 4.33Å; L168-Y386 HydrophobicContact CD1-CG 4.28Å; L168-Y386 HydrophobicContact CD2-CD2 4.33Å; L168-Y386 HydrophobicContact CD2-CE2 4.01Å; L168-V394 HydrophobicContact CB-CB 4.49Å; L168-L395 HydrophobicContact CD1-CD2 3.63Å; L168-L395 HydrophobicContact CD2-CD2 4.16Å; L168-L395 HydrophobicContact CG-CD2 4.46Å; L168-V398 HydrophobicContact CD2-CG2 4.38Å
169	F	98.3	Very high	97.2	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.066	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.7	174.4	-58.9	-74.7	0	0	0	110.4	V71 P74 V77 V78 T136 T137 L138 S167 F404	V71-F169 HydrophobicContact CB-CD1 4.35Å; V71-F169 HydrophobicContact CG1-CD1 4.32Å; V71-F169 HydrophobicContact CG1-CE1 4.23Å; V71-F169 HydrophobicContact CG1-CZ 4.41Å; V71-F169 HydrophobicContact CG2-CD1 3.76Å; V71-F169 HydrophobicContact CG2-CE1 3.73Å; P74-F169 HydrophobicContact CB-CB 3.88Å; P74-F169 HydrophobicContact CB-CD2 3.69Å; P74-F169 HydrophobicContact CB-CG 3.9Å; V77-F169 HydrophobicContact CB-CE2 3.71Å; V77-F169 HydrophobicContact CB-CZ 4.29Å; V77-F169 HydrophobicContact CG1-CE2 3.6Å; V77-F169 HydrophobicContact CG1-CZ 3.89Å; V77-F169 HydrophobicContact CG2-CE2 4.26Å; V77-F169 HydrophobicContact CG2-CZ 4.49Å; V78-F169 HydrophobicContact CG2-CD2 4.04Å; V78-F169 HydrophobicContact CG2-CE2 4.23Å; T136-F169 HydrophobicContact CG2-CB 4.33Å; T137-F169 CarbonylContact O-C 3.6Å; T137-F169 VanDerWaalsContact O-CA 3.28Å; T137-F169 WeakPolarHBondContact O-CA 3.32Å; L138-F169 HydrophobicContact CD1-CE1 4.29Å; S167-F169 PolarHBondContact O-N 3.2Å; F169-F404 HydrophobicContact CE1-CE2 4.1Å; F169-F404 HydrophobicContact CE1-CZ 4.2Å
170	Q	97.6	Very high	97.2	Very high	21 Å²	21	50.7 Å²	50.7	10%	0.098	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	160.1	178	62	175.9	-21.2	0	0	110.3	T136 T137 L138 N139 R172 Y181	T136-Q170 CarbonylContact C-O 3.56Å; T136-Q170 VanDerWaalsContact CA-O 3.28Å; T136-Q170 WeakPolarHBondContact CA-O 3.33Å; T137-Q170 PolarHBondContact N-O 3.48Å; T137-Q170 PolarHBondContact O-N 3.1Å; L138-Q170 PolarHBondContact O-NE2 3.38Å; N139-Q170 HydrophobicContact CB-CB 4.3Å; N139-Q170 HydrophobicContact CB-CG 4.16Å; Q170-R172 HydrophobicContact CG-CG 4.35Å; Q170-Y181 PolarHBondContact NE2-OH 3.04Å; Q170-Y181 PolarHBondContact OE1-OH 3.33Å
171	R	98	Very high	97.2	Very high	159 Å²	159	46.7 Å²	46.7	60%	0.6	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.4	176.7	-171	172.3	-171	158.7	6.9	110	K134 I135	K134-R171 HydrophobicContact CB-CG 4.18Å; I135-R171 WeakPolarHBondContact O-CA 3.38Å
172	R	98.2	Very high	97.2	Very high	55 Å²	55	50.9 Å²	50.9	21%	0.208	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159.6	-173.5	-68.2	-66	-175.5	165.3	2.8	110.4	K134 I135 Q170 E176 L177	K134-R172 CarbonylContact C-O 3.52Å; K134-R172 WeakPolarHBondContact CA-O 3.29Å; I135-R172 PolarHBondContact N-O 2.91Å; I135-R172 PolarHBondContact O-N 3.38Å; I135-R172 VanDerWaalsContact O-N 3.07Å; Q170-R172 HydrophobicContact CG-CG 4.35Å; R172-E176 WeakPolarHBondContact CA-OE2 3.47Å; R172-E176 HydrophobicContact CB-CB 4.1Å; R172-E176 WeakPolarHBondContact CD-OE2 3.1Å; R172-E176 IonicContact CZ-OE1 3.95Å; R172-E176 IonicContact NH1-OE1 2.93Å; R172-E176 PolarHBondContact NH1-OE1 3.26Å; R172-L177 HydrophobicContact CB-CD1 4.39Å; R172-L177 HydrophobicContact CB-CD2 3.78Å; R172-L177 HydrophobicContact CB-CG 3.78Å; R172-L177 HydrophobicContact CG-CD2 4.27Å
173	S	98.6	Very high	97.1	Very high	15 Å²	15	45.4 Å²	45.4	11%	0.105	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	159.6	172.5	73.4	0	0	0	0	111.5	E131 D133 K175 E176 L177	E131-S173 WeakPolarHBondContact O-CB 3.41Å; D133-S173 CarbonylContact O-C 3.43Å; D133-S173 WeakPolarHBondContact O-CA 3.08Å; S173-K175 PolarHBondContact O-N 3.22Å; S173-E176 PolarHBondContact N-OE2 3.26Å; S173-E176 PolarHBondContact O-N 2.98Å; S173-E176 WeakPolarHBondContact OG-CB 3.48Å; S173-E176 WeakPolarHBondContact OG-CG 3.02Å; S173-E176 PolarHBondContact OG-N 3.16Å; S173-E176 VanDerWaalsContact OG-N 3.12Å; S173-L177 WeakPolarHBondContact O-CG 3.3Å; S173-L177 PolarHBondContact O-N 2.95Å
174	V	98.5	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.9	-42	172.7	172.1	0	0	0	0	110.9	L68 Y92 E131 D133 I135 E176 L177 L178	L68-V174 HydrophobicContact CD1-CG1 4.17Å; L68-V174 HydrophobicContact CD1-CG2 4.23Å; L68-V174 HydrophobicContact CD2-CG2 4.44Å; Y92-V174 HydrophobicContact CD1-CB 4.46Å; Y92-V174 HydrophobicContact CD1-CG1 4.01Å; Y92-V174 HydrophobicContact CD1-CG2 4.26Å; Y92-V174 HydrophobicContact CD2-CG1 4.08Å; Y92-V174 HydrophobicContact CD2-CG2 4.09Å; Y92-V174 HydrophobicContact CE1-CB 4.44Å; Y92-V174 HydrophobicContact CE1-CG1 4.45Å; Y92-V174 HydrophobicContact CE1-CG2 3.87Å; Y92-V174 HydrophobicContact CE2-CG2 3.68Å; Y92-V174 HydrophobicContact CG-CG1 3.82Å; Y92-V174 HydrophobicContact CG-CG2 4.37Å; E131-V174 PolarHBondContact O-N 2.78Å; E131-V174 VanDerWaalsContact O-N 3.17Å; D133-V174 HydrophobicContact CB-CG2 4.26Å; D133-V174 PolarHBondContact O-N 3.33Å; I135-V174 HydrophobicContact CG1-CG2 3.95Å; V174-E176 PolarHBondContact O-N 2.85Å; V174-L177 PolarHBondContact O-N 3.22Å; V174-L178 HydrophobicContact CG1-CD1 3.66Å; V174-L178 HydrophobicContact CG1-CG 4.18Å; V174-L178 WeakPolarHBondContact O-CB 3.41Å; V174-L178 WeakPolarHBondContact O-CG 3.35Å; V174-L178 PolarHBondContact O-N 3.28Å
175	K	97.8	Very high	96.7	Very high	102 Å²	102	42.3 Å²	42.3	44%	0.443	22%	0.219	S	C	.	.	H	α-helix	trans	-56.9	-49	176	-163.9	173	-178	158.4	0	112.5	E131 S173 W179	E131-K175 HydrophobicContact CB-CB 3.86Å; E131-K175 HydrophobicContact CB-CG 4.43Å; E131-K175 PolarHBondContact O-N 3.05Å; S173-K175 PolarHBondContact O-N 3.22Å; K175-W179 WeakPolarHBondContact O-CB 3.2Å; K175-W179 PolarHBondContact O-N 3.04Å
176	E	97.8	Very high	96.3	Very high	57 Å²	57	39.4 Å²	39.4	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-60.6	-47.9	178.6	-79.1	179.7	123.1	0	0	110.5	R172 S173 V174 G180 Y181	R172-E176 WeakPolarHBondContact CA-OE2 3.47Å; R172-E176 HydrophobicContact CB-CB 4.1Å; R172-E176 WeakPolarHBondContact CD-OE2 3.1Å; R172-E176 IonicContact CZ-OE1 3.95Å; R172-E176 IonicContact NH1-OE1 2.93Å; R172-E176 PolarHBondContact NH1-OE1 3.26Å; S173-E176 PolarHBondContact N-OE2 3.26Å; S173-E176 PolarHBondContact O-N 2.98Å; S173-E176 WeakPolarHBondContact OG-CB 3.48Å; S173-E176 WeakPolarHBondContact OG-CG 3.02Å; S173-E176 PolarHBondContact OG-N 3.16Å; S173-E176 VanDerWaalsContact OG-N 3.12Å; V174-E176 PolarHBondContact O-N 2.85Å; E176-G180 CarbonylContact O-C 3.21Å; E176-G180 WeakPolarHBondContact O-CA 3.09Å; E176-G180 PolarHBondContact O-N 2Å; E176-Y181 HydrophobicContact CB-CD1 4.31Å; E176-Y181 HydrophobicContact CB-CG 4.44Å; E176-Y181 WeakPolarHBondContact O-CD1 3.21Å
177	L	98.1	Very high	95.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-42.6	-177.6	-69.7	173.7	0	0	0	112.9	L68 I135 T137 R172 S173 V174 G191 F192	L68-L177 HydrophobicContact CD2-CB 4.17Å; L68-L177 HydrophobicContact CD2-CD1 3.65Å; I135-L177 HydrophobicContact CB-CD1 3.89Å; I135-L177 HydrophobicContact CG2-CD1 4.35Å; T137-L177 HydrophobicContact CG2-CD1 3.84Å; T137-L177 HydrophobicContact CG2-CD2 3.56Å; T137-L177 HydrophobicContact CG2-CG 4.37Å; R172-L177 HydrophobicContact CB-CD1 4.39Å; R172-L177 HydrophobicContact CB-CD2 3.78Å; R172-L177 HydrophobicContact CB-CG 3.78Å; R172-L177 HydrophobicContact CG-CD2 4.27Å; S173-L177 WeakPolarHBondContact O-CG 3.3Å; S173-L177 PolarHBondContact O-N 2.95Å; V174-L177 PolarHBondContact O-N 3.22Å; L177-G191 WeakPolarHBondContact O-CA 3.46Å; L177-F192 HydrophobicContact CB-CD2 4.46Å; L177-F192 HydrophobicContact CB-CE2 3.98Å; L177-F192 HydrophobicContact CB-CZ 4.09Å; L177-F192 HydrophobicContact CD2-CE1 4.47Å; L177-F192 HydrophobicContact CD2-CZ 4.15Å; L177-F192 VanDerWaalsContact O-CG 3.3Å; L177-F192 WeakPolarHBondContact O-CG 3.2Å; L177-F192 PolarHBondContact O-N 2.79Å
178	L	97.8	Very high	95.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-74.4	-49.7	-178.9	-67.4	177.4	0	0	0	111.8	F66 Y94 V174 F192 F193	F66-L178 HydrophobicContact CB-CD1 4.47Å; F66-L178 HydrophobicContact CB-CD2 4.38Å; F66-L178 HydrophobicContact CD1-CD2 3.88Å; F66-L178 HydrophobicContact CD2-CD1 3.73Å; F66-L178 HydrophobicContact CD2-CD2 4.23Å; F66-L178 HydrophobicContact CE1-CD2 4.14Å; F66-L178 HydrophobicContact CE2-CD1 4.09Å; F66-L178 HydrophobicContact CE2-CD2 4.46Å; F66-L178 HydrophobicContact CG-CD1 4.11Å; F66-L178 HydrophobicContact CG-CD2 3.91Å; F66-L178 HydrophobicContact CZ-CD2 4.4Å; Y94-L178 HydrophobicContact CE2-CD1 3.74Å; V174-L178 HydrophobicContact CG1-CD1 3.66Å; V174-L178 HydrophobicContact CG1-CG 4.18Å; V174-L178 WeakPolarHBondContact O-CB 3.41Å; V174-L178 WeakPolarHBondContact O-CG 3.35Å; V174-L178 PolarHBondContact O-N 3.28Å; L178-F192 HydrophobicContact CD2-CD2 4.08Å; L178-F193 HydrophobicContact CD2-CD2 4.01Å; L178-F193 HydrophobicContact CD2-CE2 3.97Å; L178-F193 CarbonylContact O-C 3.57Å; L178-F193 WeakPolarHBondContact O-CA 3.15Å; L178-F193 PolarHBondContact O-N 3.35Å
179	W	96.6	Very high	95	Very high	47 Å²	47	51.7 Å²	51.7	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-108.4	-14.5	-162.3	-50.4	120.8	0	0	0	114.9	F66 Y94 A120 K175 F193 Y196	F66-W179 HydrophobicContact CE2-CH2 4.24Å; F66-W179 HydrophobicContact CE2-CZ2 4.25Å; F66-W179 HydrophobicContact CZ-CH2 4.27Å; Y94-W179 AromaticContact CD1-CZ2 3.74Å; Y94-W179 HydrophobicContact CD1-CZ2 3.74Å; Y94-W179 HydrophobicContact CD2-CZ2 4.19Å; Y94-W179 AromaticContact CE1-CE2 3.81Å; Y94-W179 AromaticContact CE1-CZ2 3.55Å; Y94-W179 HydrophobicContact CE1-CZ2 3.55Å; Y94-W179 AromaticContact CE1-NE1 3.5Å; Y94-W179 HydrophobicContact CE2-CZ2 4.01Å; Y94-W179 HydrophobicContact CG-CZ2 4.07Å; Y94-W179 AromaticContact CZ-CE2 3.89Å; Y94-W179 AromaticContact CZ-CZ2 3.7Å; Y94-W179 AromaticContact CZ-NE1 3.46Å; Y94-W179 PolarHBondContact OH-NE1 3.4Å; Y94-W179 VanDerWaalsContact OH-NE1 3.16Å; A120-W179 HydrophobicContact CB-CH2 3.59Å; A120-W179 HydrophobicContact CB-CZ2 3.87Å; A120-W179 HydrophobicContact CB-CZ3 4.33Å; K175-W179 WeakPolarHBondContact O-CB 3.2Å; K175-W179 PolarHBondContact O-N 3.04Å; W179-F193 HydrophobicContact CE3-CB 4.17Å; W179-F193 HydrophobicContact CZ3-CB 3.9Å; W179-Y196 HydrophobicContact CH2-CD1 4.23Å; W179-Y196 AromaticContact CZ3-CD1 3.75Å; W179-Y196 HydrophobicContact CZ3-CD1 3.75Å; W179-Y196 AromaticContact CZ3-CG 3.81Å; W179-Y196 HydrophobicContact CZ3-CG 3.81Å
180	G	96.3	Very high	94.9	Very high	24 Å²	24	52.3 Å²	52.3	25%	0.247	27%	0.265	C	S	.	.			trans	135.5	141.8	177.8	0	0	0	0	0	113.7	E176 L190	E176-G180 CarbonylContact O-C 3.21Å; E176-G180 WeakPolarHBondContact O-CA 3.09Å; E176-G180 PolarHBondContact O-N 2Å; G180-L190 CarbonylContact C-O 3.5Å; G180-L190 VanDerWaalsContact CA-O 3.23Å; G180-L190 WeakPolarHBondContact CA-O 3.4Å
181	Y	96.2	Very high	94.8	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.5	165.4	66.1	-89.2	0	0	0	110.2	Q170 E176 D183 D189 L190	Q170-Y181 PolarHBondContact NE2-OH 3.04Å; Q170-Y181 PolarHBondContact OE1-OH 3.33Å; E176-Y181 HydrophobicContact CB-CD1 4.31Å; E176-Y181 HydrophobicContact CB-CG 4.44Å; E176-Y181 WeakPolarHBondContact O-CD1 3.21Å; Y181-D183 HydrophobicContact CE2-CB 4.03Å; Y181-D183 PolarHBondContact O-N 3.29Å; Y181-D189 CarbonylContact O-C 3.58Å; Y181-D189 WeakPolarHBondContact O-CA 3.34Å; Y181-L190 WeakPolarHBondContact CD1-O 3.24Å; Y181-L190 HydrophobicContact CE1-CB 4.11Å; Y181-L190 WeakPolarHBondContact CE1-O 3.36Å; Y181-L190 HydrophobicContact CE2-CB 4.39Å; Y181-L190 PolarHBondContact N-O 2.99Å; Y181-L190 PolarHBondContact O-N 3.3Å
182	P	96.1	Very high	94.6	Very high	91 Å²	91	46 Å²	46	59%	0.591	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	121.1	174.3	27.5	-33.8	0	0	0	110.1	D189	P182-D189 VanDerWaalsContact CA-OD1 3.27Å; P182-D189 WeakPolarHBondContact CA-OD1 3.05Å
183	D	95.1	Very high	94.5	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	25%	0.245	C	C	.	.			trans	-91	129.1	-179.4	-175	-92	0	0	0	111.9	A141 Y181 I185 L186 K187 G188 L190	A141-D183 VanDerWaalsContact CB-OD1 3.23Å; A141-D183 WeakPolarHBondContact CB-OD1 3.45Å; A141-D183 VanDerWaalsContact CB-OD2 3.27Å; A141-D183 WeakPolarHBondContact CB-OD2 3.12Å; Y181-D183 HydrophobicContact CE2-CB 4.03Å; Y181-D183 PolarHBondContact O-N 3.29Å; D183-I185 VanDerWaalsContact C-N 3.31Å; D183-I185 PolarHBondContact O-N 3.07Å; D183-I185 WeakPolarHBondContact OD1-CA 3.24Å; D183-I185 VanDerWaalsContact OD1-CB 3.28Å; D183-I185 WeakPolarHBondContact OD1-CB 3.44Å; D183-I185 PolarHBondContact OD1-N 3.42Å; D183-L186 PolarHBondContact OD1-N 3.43Å; D183-K187 WeakPolarHBondContact O-CA 3.43Å; D183-K187 PolarHBondContact O-N 3.45Å; D183-G188 PolarHBondContact N-O 3.22Å; D183-L190 HydrophobicContact CB-CB 4.49Å; D183-L190 HydrophobicContact CB-CD1 3.7Å; D183-L190 HydrophobicContact CB-CG 3.96Å
184	P	92.2	Very high	94.2	Very high	61 Å²	61	47.5 Å²	47.5	40%	0.396	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.8	-176.2	28.9	-36.2	0	0	0	113.9	T164	T164-P184 HydrophobicContact CG2-CB 3.96Å; T164-P184 WeakPolarHBondContact CG2-O 3.01Å
185	I	91.3	Very high	93.6	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.087	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-50.6	179.4	-62.2	167.1	0	0	0	109.6	A141 V142 M160 I161 T164 D183	A141-I185 HydrophobicContact CB-CB 4.26Å; A141-I185 HydrophobicContact CB-CD1 4.06Å; V142-I185 HydrophobicContact CG2-CD1 3.83Å; M160-I185 HydrophobicContact CB-CG2 4.21Å; I161-I185 HydrophobicContact CG1-CD1 3.86Å; T164-I185 HydrophobicContact CG2-CG1 4.33Å; T164-I185 WeakPolarHBondContact OG1-CG1 3.28Å; D183-I185 VanDerWaalsContact C-N 3.31Å; D183-I185 PolarHBondContact O-N 3.07Å; D183-I185 WeakPolarHBondContact OD1-CA 3.24Å; D183-I185 VanDerWaalsContact OD1-CB 3.28Å; D183-I185 WeakPolarHBondContact OD1-CB 3.44Å; D183-I185 PolarHBondContact OD1-N 3.42Å
186	L	87.5	Confident	93.3	Very high	94 Å²	94	49.1 Å²	49.1	49%	0.492	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.5	-174.1	-60.7	-177	0	0	0	113.9	A141 D183 G188 L190	A141-L186 HydrophobicContact CB-CD1 4.28Å; A141-L186 HydrophobicContact CB-CG 4.18Å; D183-L186 PolarHBondContact OD1-N 3.43Å; L186-G188 PolarHBondContact O-N 3.07Å; L186-L190 HydrophobicContact CD1-CD1 3.86Å; L186-L190 HydrophobicContact CD1-CD2 3.91Å; L186-L190 HydrophobicContact CD1-CG 4.16Å
187	K	80.3	Confident	92.9	Very high	195 Å²	195	50.2 Å²	50.2	85%	0.848	28%	0.276	S	S	*	.	S	Bend	trans	54.3	32.2	-174	-56.2	-177.9	179.3	179.6	0	113	D183	D183-K187 WeakPolarHBondContact O-CA 3.43Å; D183-K187 PolarHBondContact O-N 3.45Å
188	G	90	Very high	92.4	Very high	32 Å²	32	57.5 Å²	57.5	33%	0.33	31%	0.314	S	S	.	.	S	Bend	trans	-144.2	175.8	174.8	0	0	0	0	0	109.6	D183 L186	D183-G188 PolarHBondContact N-O 3.22Å; L186-G188 PolarHBondContact O-N 3.07Å
189	D	93.8	Very high	92.2	Very high	95 Å²	95	60 Å²	60	51%	0.508	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	142	-176.5	-63	-36.1	0	0	0	111.8	Y181 P182 L194	Y181-D189 CarbonylContact O-C 3.58Å; Y181-D189 WeakPolarHBondContact O-CA 3.34Å; P182-D189 VanDerWaalsContact CA-OD1 3.27Å; P182-D189 WeakPolarHBondContact CA-OD1 3.05Å; D189-L194 HydrophobicContact CB-CD1 3.72Å; D189-L194 HydrophobicContact CB-CD2 4.43Å; D189-L194 WeakPolarHBondContact O-CD2 3.43Å
190	L	94.7	Very high	92.1	Very high	28 Å²	28	63 Å²	63	15%	0.147	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.7	174.8	-70.8	-177.4	0	0	0	110.4	L140 A141 G180 Y181 D183 L186	L140-L190 HydrophobicContact CB-CD1 4.18Å; A141-L190 HydrophobicContact CB-CD1 3.64Å; G180-L190 CarbonylContact C-O 3.5Å; G180-L190 VanDerWaalsContact CA-O 3.23Å; G180-L190 WeakPolarHBondContact CA-O 3.4Å; Y181-L190 WeakPolarHBondContact CD1-O 3.24Å; Y181-L190 HydrophobicContact CE1-CB 4.11Å; Y181-L190 WeakPolarHBondContact CE1-O 3.36Å; Y181-L190 HydrophobicContact CE2-CB 4.39Å; Y181-L190 PolarHBondContact N-O 2.99Å; Y181-L190 PolarHBondContact O-N 3.3Å; D183-L190 HydrophobicContact CB-CB 4.49Å; D183-L190 HydrophobicContact CB-CD1 3.7Å; D183-L190 HydrophobicContact CB-CG 3.96Å; L186-L190 HydrophobicContact CD1-CD1 3.86Å; L186-L190 HydrophobicContact CD1-CD2 3.91Å; L186-L190 HydrophobicContact CD1-CG 4.16Å
191	G	95.4	Very high	92.1	Very high	18 Å²	18	63 Å²	63	19%	0.186	34%	0.336	C	S	.	.			trans	-167.5	164.2	174.4	0	0	0	0	0	110.2	L177 F193	L177-G191 WeakPolarHBondContact O-CA 3.46Å; G191-F193 VanDerWaalsContact C-N 3.3Å
192	F	95.4	Very high	91.9	Very high	30 Å²	30	63.3 Å²	63.3	13%	0.132	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-36.7	176.7	-57.5	-19.9	0	0	0	111.3	L68 T137 L140 L177 L178 L406 V407	L68-F192 HydrophobicContact CD2-CE2 4.1Å; T137-F192 HydrophobicContact CG2-CZ 4.36Å; L140-F192 HydrophobicContact CD1-CD1 3.73Å; L140-F192 HydrophobicContact CD1-CE1 3.74Å; L140-F192 HydrophobicContact CD2-CD1 4.4Å; L140-F192 HydrophobicContact CD2-CE1 3.93Å; L140-F192 HydrophobicContact CG-CE1 4.24Å; L177-F192 HydrophobicContact CB-CD2 4.46Å; L177-F192 HydrophobicContact CB-CE2 3.98Å; L177-F192 HydrophobicContact CB-CZ 4.09Å; L177-F192 HydrophobicContact CD2-CE1 4.47Å; L177-F192 HydrophobicContact CD2-CZ 4.15Å; L177-F192 VanDerWaalsContact O-CG 3.3Å; L177-F192 WeakPolarHBondContact O-CG 3.2Å; L177-F192 PolarHBondContact O-N 2.79Å; L178-F192 HydrophobicContact CD2-CD2 4.08Å; F192-L406 HydrophobicContact CD1-CD1 4.16Å; F192-L406 HydrophobicContact CE1-CB 4.08Å; F192-L406 HydrophobicContact CE1-CD1 3.88Å; F192-L406 HydrophobicContact CE1-CD2 4.4Å; F192-L406 HydrophobicContact CE1-CG 4.36Å; F192-L406 HydrophobicContact CE2-CB 4.29Å; F192-L406 HydrophobicContact CZ-CB 3.87Å; F192-V407 HydrophobicContact CD2-CB 3.98Å; F192-V407 HydrophobicContact CD2-CG1 3.49Å; F192-V407 VanDerWaalsContact CD2-CG1 3.49Å; F192-V407 HydrophobicContact CE2-CB 3.92Å; F192-V407 HydrophobicContact CE2-CG1 3.89Å; F192-V407 HydrophobicContact CG-CG1 4.19Å
193	F	94.5	Very high	92	Very high	38 Å²	38	62.1 Å²	62.1	17%	0.167	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	53.4	179.7	-51.5	-80.7	0	0	0	109.6	F66 L178 W179 G191 Y196 V382 V407 L409	F66-F193 HydrophobicContact CD1-CE2 4.07Å; F66-F193 HydrophobicContact CE1-CD2 4.05Å; F66-F193 AromaticContact CE1-CE2 3.38Å; F66-F193 HydrophobicContact CE1-CE2 3.38Å; F66-F193 AromaticContact CE1-CZ 3.79Å; F66-F193 HydrophobicContact CE1-CZ 3.79Å; F66-F193 HydrophobicContact CZ-CD2 4.31Å; F66-F193 HydrophobicContact CZ-CE2 4.08Å; L178-F193 HydrophobicContact CD2-CD2 4.01Å; L178-F193 HydrophobicContact CD2-CE2 3.97Å; L178-F193 CarbonylContact O-C 3.57Å; L178-F193 WeakPolarHBondContact O-CA 3.15Å; L178-F193 PolarHBondContact O-N 3.35Å; W179-F193 HydrophobicContact CE3-CB 4.17Å; W179-F193 HydrophobicContact CZ3-CB 3.9Å; G191-F193 VanDerWaalsContact C-N 3.3Å; F193-Y196 WeakPolarHBondContact O-CB 3.47Å; F193-Y196 PolarHBondContact O-N 2.99Å; F193-V382 HydrophobicContact CZ-CG2 4.24Å; F193-V407 HydrophobicContact CE2-CG1 4.41Å; F193-L409 HydrophobicContact CE1-CD2 4.16Å; F193-L409 HydrophobicContact CZ-CD2 3.75Å
194	L	91.9	Very high	92.1	Very high	64 Å²	64	62.3 Å²	62.3	34%	0.335	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	143	178.5	-173	69.6	0	0	0	110.9	D189 Y196	D189-L194 HydrophobicContact CB-CD1 3.72Å; D189-L194 HydrophobicContact CB-CD2 4.43Å; D189-L194 WeakPolarHBondContact O-CD2 3.43Å; L194-Y196 PolarHBondContact O-N 2.88Å
195	D	86.6	Confident	92.4	Very high	111 Å²	111	59.8 Å²	59.8	59%	0.594	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	32.5	179	-57.4	-38.8	0	0	0	113.9	T199	D195-T199 HydrophobicContact CB-CG2 4.3Å; D195-T199 WeakPolarHBondContact O-CB 3.4Å; D195-T199 WeakPolarHBondContact O-CG2 3.25Å; D195-T199 PolarHBondContact O-OG1 3.39Å
196	Y	91.1	Very high	92.7	Very high	25 Å²	25	59.1 Å²	59.1	10%	0.098	31%	0.313	C	S	.	.			trans	-66.5	-51.3	-179.5	-168.7	-108.1	0	0	0	112.6	R64 N118 A120 W179 F193 L194 T199	R64-Y196 PolarHBondContact NH1-OH 3.34Å; N118-Y196 HydrophobicContact CB-CD1 4.3Å; N118-Y196 HydrophobicContact CB-CD2 4.06Å; N118-Y196 HydrophobicContact CB-CE1 4.09Å; N118-Y196 HydrophobicContact CB-CE2 3.8Å; N118-Y196 HydrophobicContact CB-CG 4.29Å; N118-Y196 WeakPolarHBondContact CB-O 3.17Å; A120-Y196 HydrophobicContact CB-CD1 3.96Å; A120-Y196 HydrophobicContact CB-CE1 3.96Å; W179-Y196 HydrophobicContact CH2-CD1 4.23Å; W179-Y196 AromaticContact CZ3-CD1 3.75Å; W179-Y196 HydrophobicContact CZ3-CD1 3.75Å; W179-Y196 AromaticContact CZ3-CG 3.81Å; W179-Y196 HydrophobicContact CZ3-CG 3.81Å; F193-Y196 WeakPolarHBondContact O-CB 3.47Å; F193-Y196 PolarHBondContact O-N 2.99Å; L194-Y196 PolarHBondContact O-N 2.88Å; Y196-T199 PolarHBondContact O-OG1 3.46Å
197	N	89.8	Confident	93.2	Very high	80 Å²	80	56.9 Å²	56.9	43%	0.428	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	137.1	-176.7	-75.9	-9.3	0	0	0	111.8	G119 A120 T199	G119-N197 WeakPolarHBondContact CA-OD1 3.42Å; A120-N197 PolarHBondContact N-OD1 2.79Å; N197-T199 VanDerWaalsContact C-N 3.26Å; N197-T199 PolarHBondContact O-N 3.41Å
198	N	88.9	Confident	94	Very high	152 Å²	152	47.9 Å²	47.9	81%	0.813	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	16.7	-179.5	-46.1	-63.4	0	0	0	115.1	N118	N118-N198 PolarHBondContact O-N 2.88Å
199	T	93.7	Very high	94.3	Very high	52 Å²	52	46.6 Å²	46.6	32%	0.319	25%	0.247	S	C	.	.			trans	-102.9	172.9	167.4	60.5	0	0	0	0	111	N118 D195 Y196 N197	N118-T199 PolarHBondContact N-O 2.95Å; N118-T199 PolarHBondContact ND2-OG1 3.18Å; D195-T199 HydrophobicContact CB-CG2 4.3Å; D195-T199 WeakPolarHBondContact O-CB 3.4Å; D195-T199 WeakPolarHBondContact O-CG2 3.25Å; D195-T199 PolarHBondContact O-OG1 3.39Å; Y196-T199 PolarHBondContact O-OG1 3.46Å; N197-T199 VanDerWaalsContact C-N 3.26Å; N197-T199 PolarHBondContact O-N 3.41Å
200	Y	94.3	Very high	94.3	Very high	112 Å²	112	47.9 Å²	47.9	44%	0.439	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.7	178.5	-59.7	-92.1	0	0	0	110	D102 L115 L116 P117	D102-Y200 HydrophobicContact CB-CE1 4.06Å; D102-Y200 PolarHBondContact OD2-OH 2.8Å; L115-Y200 HydrophobicContact CB-CD1 3.7Å; L115-Y200 HydrophobicContact CB-CE1 4.46Å; L115-Y200 HydrophobicContact CB-CG 4.21Å; L115-Y200 HydrophobicContact CD1-CD1 4.24Å; L115-Y200 HydrophobicContact CD1-CG 4.28Å; L115-Y200 HydrophobicContact CG-CD1 4.49Å; L116-Y200 CarbonylContact O-C 3.55Å; L116-Y200 VanDerWaalsContact O-CA 3.27Å; L116-Y200 WeakPolarHBondContact O-CA 3.2Å; P117-Y200 HydrophobicContact CB-CD1 3.86Å; P117-Y200 HydrophobicContact CB-CE1 3.68Å; P117-Y200 HydrophobicContact CG-CE1 4.46Å
201	D	94.8	Very high	94.3	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.118	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.2	157.9	-174.1	19.6	0	0	0	110	L116 Y204 W222 S262	L116-D201 HydrophobicContact CB-CB 4.21Å; L116-D201 PolarHBondContact N-O 2.97Å; L116-D201 PolarHBondContact O-N 3.31Å; D201-Y204 HydrophobicContact CB-CE2 4.26Å; D201-Y204 VanDerWaalsContact CG-OH 3.31Å; D201-Y204 WeakPolarHBondContact OD2-CE2 3.46Å; D201-Y204 PolarHBondContact OD2-OH 3.3Å; D201-W222 PolarHBondContact OD1-NE1 3.34Å; D201-S262 VanDerWaalsContact OD2-CB 3.25Å; D201-S262 WeakPolarHBondContact OD2-CB 3.46Å; D201-S262 PolarHBondContact OD2-OG 2.91Å
202	G	93.8	Very high	94.2	Very high	10 Å²	10	53 Å²	53	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.7	-161.5	-172.8	0	0	0	0	0	114.2	K223	G202-K223 VanDerWaalsContact O-CE 3.27Å; G202-K223 WeakPolarHBondContact O-CE 3.37Å; G202-K223 WeakPolarHBondContact O-CG 2.97Å
203	P	96.9	Very high	94.2	Very high	65 Å²	65	52.7 Å²	52.7	42%	0.422	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-66.3	143.8	8.6	27.2	-35.4	0	0	0	113.3	F114 L115 K223	F114-P203 WeakPolarHBondContact O-CA 2.93Å; L115-P203 HydrophobicContact CD2-CB 4.01Å; P203-K223 PolarHBondContact O-N 3.14Å
204	Y	98.1	Very high	94.2	Very high	8 Å²	8	56.8 Å²	56.8	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.6	168.1	-73.8	-95.9	0	0	0	108.8	S113 F114 L116 D201 I219 W222 F260 S262	S113-Y204 CarbonylContact C-O 3.5Å; S113-Y204 WeakPolarHBondContact CA-O 3.31Å; F114-Y204 HydrophobicContact CE1-CG 4.38Å; F114-Y204 HydrophobicContact CE2-CD2 4.2Å; F114-Y204 HydrophobicContact CE2-CG 4.26Å; F114-Y204 HydrophobicContact CZ-CD2 4.35Å; F114-Y204 AromaticContact CZ-CG 3.94Å; F114-Y204 HydrophobicContact CZ-CG 3.94Å; F114-Y204 PolarHBondContact N-O 2.74Å; F114-Y204 PolarHBondContact O-N 3.41Å; L116-Y204 HydrophobicContact CD1-CD2 4.22Å; L116-Y204 HydrophobicContact CD1-CE2 3.75Å; L116-Y204 HydrophobicContact CG-CD2 4.48Å; L116-Y204 HydrophobicContact CG-CE2 4.37Å; D201-Y204 HydrophobicContact CB-CE2 4.26Å; D201-Y204 VanDerWaalsContact CG-OH 3.31Å; D201-Y204 WeakPolarHBondContact OD2-CE2 3.46Å; D201-Y204 PolarHBondContact OD2-OH 3.3Å; Y204-I219 HydrophobicContact CD1-CD1 4.18Å; Y204-I219 HydrophobicContact CD1-CG1 4.4Å; Y204-I219 HydrophobicContact CD1-CG2 4.24Å; Y204-I219 HydrophobicContact CE1-CD1 4.13Å; Y204-W222 AromaticContact CD1-CD1 3.74Å; Y204-W222 AromaticContact CE1-CD1 3.41Å; Y204-W222 VanDerWaalsContact CE1-CD1 3.41Å; Y204-W222 HydrophobicContact CE1-CG 4.36Å; Y204-W222 AromaticContact CE1-NE1 3.93Å; Y204-W222 AromaticContact CE2-CD1 3.76Å; Y204-W222 AromaticContact CE2-NE1 3.73Å; Y204-W222 AromaticContact CZ-CD1 3.41Å; Y204-W222 VanDerWaalsContact CZ-CD1 3.41Å; Y204-W222 AromaticContact CZ-NE1 3.45Å; Y204-W222 PolarHBondContact OH-NE1 3.43Å; Y204-F260 HydrophobicContact CE1-CD1 4.07Å; Y204-F260 HydrophobicContact CE1-CE1 4.08Å; Y204-S262 PolarHBondContact OH-OG 2.97Å
205	D	97.9	Very high	94.4	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.8	164.9	-163.3	33	0	0	0	108.6	H107 T111 S113 D220 M221	H107-D205 IonicContact CD2-OD1 3.47Å; H107-D205 IonicContact NE2-OD1 3.19Å; T111-D205 WeakPolarHBondContact CB-OD1 3.44Å; T111-D205 WeakPolarHBondContact CB-OD2 3.5Å; T111-D205 PolarHBondContact OG1-OD1 2.67Å; T111-D205 VanDerWaalsContact OG1-OD1 3.09Å; T111-D205 PolarHBondContact OG1-OD2 2.83Å; S113-D205 PolarHBondContact N-OD1 2.78Å; S113-D205 VanDerWaalsContact OG-CG 3.29Å; S113-D205 PolarHBondContact OG-OD1 3.08Å; D205-D220 PolarHBondContact O-N 2.78Å; D205-M221 HydrophobicContact CB-CB 4.08Å; D205-M221 HydrophobicContact CB-CE 4.06Å; D205-M221 PolarHBondContact N-O 2.93Å; D205-M221 PolarHBondContact O-N 3.36Å; D205-M221 VanDerWaalsContact OD2-CE 3.23Å; D205-M221 WeakPolarHBondContact OD2-CE 3.49Å
206	V	97.9	Very high	94.9	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148	-174.3	-58.9	0	0	0	0	111	I45 W55 T111 V112 F114 K218 I219	I45-V206 HydrophobicContact CD1-CG2 4.4Å; W55-V206 HydrophobicContact CZ2-CG2 4.32Å; T111-V206 CarbonylContact C-O 3.53Å; T111-V206 WeakPolarHBondContact CA-O 3.27Å; T111-V206 WeakPolarHBondContact CB-O 3.46Å; V112-V206 HydrophobicContact CG1-CG2 3.56Å; V112-V206 PolarHBondContact N-O 3.06Å; V112-V206 PolarHBondContact O-N 3.23Å; F114-V206 HydrophobicContact CD1-CG2 4.5Å; F114-V206 HydrophobicContact CE1-CG1 3.82Å; F114-V206 HydrophobicContact CE1-CG2 3.91Å; F114-V206 HydrophobicContact CZ-CG1 4.44Å; V206-K218 CarbonylContact C-O 3.56Å; V206-K218 VanDerWaalsContact CA-O 3.23Å; V206-K218 WeakPolarHBondContact CA-O 3.44Å; V206-K218 WeakPolarHBondContact CB-O 3.21Å; V206-I219 HydrophobicContact CG1-CB 4.38Å; V206-I219 HydrophobicContact CG1-CG1 3.92Å
207	F	98.1	Very high	95.2	Very high	47 Å²	47	49.6 Å²	49.6	21%	0.206	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.6	173.9	-65.1	-79.5	0	0	0	110.6	T111 G209 N215 G217 K218 D220	T111-F207 HydrophobicContact CG2-CD1 3.8Å; T111-F207 HydrophobicContact CG2-CE1 4Å; T111-F207 HydrophobicContact CG2-CG 4.39Å; F207-G209 VanDerWaalsContact C-N 3.32Å; F207-N215 HydrophobicContact CB-CB 4.07Å; F207-N215 WeakPolarHBondContact CB-O 3.26Å; F207-N215 HydrophobicContact CD2-CB 4.44Å; F207-N215 HydrophobicContact CG-CB 4.2Å; F207-G217 PolarHBondContact O-N 3.46Å; F207-K218 HydrophobicContact CD2-CB 4.06Å; F207-K218 WeakPolarHBondContact CD2-O 3.47Å; F207-K218 PolarHBondContact N-O 3.14Å; F207-D220 HydrophobicContact CD2-CB 4.29Å; F207-D220 HydrophobicContact CE1-CB 4.45Å; F207-D220 HydrophobicContact CE2-CB 3.63Å; F207-D220 HydrophobicContact CZ-CB 3.72Å; F207-D220 WeakPolarHBondContact CZ-OD1 3.4Å
208	T	97.1	Very high	95.6	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.037	25%	0.248	C	C	.	.			trans	-78.5	-18.4	-179.6	62.2	0	0	0	0	113	V44 I45 F106 H110 V112 K210 V216	V44-T208 WeakPolarHBondContact CA-O 3.18Å; V44-T208 WeakPolarHBondContact CG1-O 3.37Å; I45-T208 PolarHBondContact N-O 3.11Å; I45-T208 WeakPolarHBondContact O-CB 3.39Å; F106-T208 HydrophobicContact CD1-CG2 4.15Å; F106-T208 HydrophobicContact CE1-CG2 4.13Å; H110-T208 PolarHBondContact O-N 3.25Å; H110-T208 PolarHBondContact O-OG1 3.37Å; H110-T208 VanDerWaalsContact O-OG1 3.05Å; V112-T208 HydrophobicContact CB-CG2 3.93Å; V112-T208 HydrophobicContact CG1-CG2 3.88Å; T208-K210 VanDerWaalsContact C-N 3.3Å; T208-K210 WeakPolarHBondContact OG1-CB 3.49Å; T208-K210 PolarHBondContact OG1-N 3.16Å; T208-V216 WeakPolarHBondContact O-CG2 3.09Å
209	G	96.3	Very high	96	Very high	4 Å²	4	42 Å²	42	4%	0.041	21%	0.212	C	C	.	.	S	Bend	trans	80.7	7.5	-174	0	0	0	0	0	114.4	F207 D212 I213	F207-G209 VanDerWaalsContact C-N 3.32Å; G209-D212 WeakPolarHBondContact CA-O 3.48Å; G209-D212 CarbonylContact O-C 3.49Å; G209-I213 PolarHBondContact O-N 3.35Å
210	K	93.7	Very high	96.2	Very high	123 Å²	123	40.4 Å²	40.4	54%	0.535	20%	0.201	S	C	.	.	S	Bend	trans	-70.4	-33.1	-177.9	-173.8	168.5	-168.5	135.9	0	113.2	V44 E46 T208	V44-K210 HydrophobicContact CG1-CB 3.99Å; E46-K210 IonicContact OE2-NZ 3.44Å; E46-K210 PolarHBondContact OE2-NZ 2.86Å; T208-K210 VanDerWaalsContact C-N 3.3Å; T208-K210 WeakPolarHBondContact OG1-CB 3.49Å; T208-K210 PolarHBondContact OG1-N 3.16Å
211	D	93.6	Very high	96.3	Very high	91 Å²	91	37.5 Å²	37.5	49%	0.487	19%	0.192	S	C	.	.	S	Bend	trans	-85.5	-50.2	175.1	60	-37	0	0	0	111.4	H110	H110-D211 HydrophobicContact CB-CB 4.37Å
212	D	94.9	Very high	96.4	Very high	62 Å²	62	37.4 Å²	37.4	33%	0.332	19%	0.19	S	C	.	.			trans	-141.3	113.1	179.1	177.3	8.7	0	0	0	110	G209 E214 N215	G209-D212 WeakPolarHBondContact CA-O 3.48Å; G209-D212 CarbonylContact O-C 3.49Å; D212-E214 PolarHBondContact O-N 3.01Å; D212-E214 WeakPolarHBondContact OD1-CB 3.29Å; D212-E214 PolarHBondContact OD1-N 2.78Å; D212-N215 PolarHBondContact O-N 2.74Å; D212-N215 PolarHBondContact OD2-ND2 3.35Å
213	I	94.8	Very high	96.6	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.118	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63.4	-23.7	-178.4	-161.2	62.8	0	0	0	112.4	E40 A43 V44 G209 N215 V216 P249	E40-I213 HydrophobicContact CB-CG1 4.4Å; E40-I213 HydrophobicContact CG-CB 4.44Å; E40-I213 HydrophobicContact CG-CG1 4.31Å; E40-I213 HydrophobicContact CG-CG2 4Å; E40-I213 WeakPolarHBondContact O-CD1 3.34Å; A43-I213 HydrophobicContact CB-CD1 3.96Å; V44-I213 HydrophobicContact CG2-CD1 4.19Å; G209-I213 PolarHBondContact O-N 3.35Å; I213-N215 PolarHBondContact O-N 3.48Å; I213-N215 VanDerWaalsContact O-N 3.13Å; I213-V216 HydrophobicContact CD1-CB 4.19Å; I213-V216 HydrophobicContact CD1-CG1 4.22Å; I213-V216 WeakPolarHBondContact O-CG1 3.4Å; I213-V216 PolarHBondContact O-N 2.9Å; I213-P249 HydrophobicContact CD1-CG 4.47Å; I213-P249 HydrophobicContact CG1-CG 3.57Å
214	E	95.1	Very high	96.5	Very high	124 Å²	124	42.6 Å²	42.6	58%	0.579	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-65	-16	174.8	-64.2	-165.7	168.5	0	0	112	D212 K218 P248	D212-E214 PolarHBondContact O-N 3.01Å; D212-E214 WeakPolarHBondContact OD1-CB 3.29Å; D212-E214 PolarHBondContact OD1-N 2.78Å; E214-K218 WeakPolarHBondContact O-CE 3.39Å; E214-K218 PolarHBondContact O-NZ 2.88Å; E214-P248 WeakPolarHBondContact O-CG 3.36Å
215	N	96.4	Very high	96.4	Very high	39 Å²	39	44.5 Å²	44.5	21%	0.209	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-99.4	-6.7	179	-63	-44.9	0	0	0	114.4	F207 D212 I213 G217 K218	F207-N215 HydrophobicContact CB-CB 4.07Å; F207-N215 WeakPolarHBondContact CB-O 3.26Å; F207-N215 HydrophobicContact CD2-CB 4.44Å; F207-N215 HydrophobicContact CG-CB 4.2Å; D212-N215 PolarHBondContact O-N 2.74Å; D212-N215 PolarHBondContact OD2-ND2 3.35Å; I213-N215 PolarHBondContact O-N 3.48Å; I213-N215 VanDerWaalsContact O-N 3.13Å; N215-G217 PolarHBondContact O-N 2.94Å; N215-K218 HydrophobicContact CB-CD 4.43Å; N215-K218 VanDerWaalsContact O-CB 3.28Å; N215-K218 WeakPolarHBondContact O-CB 3.48Å; N215-K218 WeakPolarHBondContact O-CG 3.33Å; N215-K218 PolarHBondContact O-N 3.4Å; N215-K218 PolarHBondContact OD1-NZ 3.02Å
216	V	97	Very high	96.2	Very high	6 Å²	6	51.8 Å²	51.8	4%	0.036	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	131.1	-176.2	69.3	0	0	0	0	112.6	A43 I45 T208 I213 K218 P248	A43-V216 WeakPolarHBondContact O-CG2 3.46Å; I45-V216 HydrophobicContact CD1-CG2 4.04Å; I45-V216 HydrophobicContact CG1-CG2 3.87Å; T208-V216 WeakPolarHBondContact O-CG2 3.09Å; I213-V216 HydrophobicContact CD1-CB 4.19Å; I213-V216 HydrophobicContact CD1-CG1 4.22Å; I213-V216 WeakPolarHBondContact O-CG1 3.4Å; I213-V216 PolarHBondContact O-N 2.9Å; V216-K218 PolarHBondContact O-N 2.96Å; V216-P248 HydrophobicContact CG1-CB 4.27Å; V216-P248 HydrophobicContact CG1-CG 4.44Å
217	G	96.4	Very high	96.1	Very high	5 Å²	5	54.1 Å²	54.1	5%	0.052	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	-7.4	179.2	0	0	0	0	0	115.2	F207 N215 T242	F207-G217 PolarHBondContact O-N 3.46Å; N215-G217 PolarHBondContact O-N 2.94Å; G217-T242 VanDerWaalsContact C-CG2 3.44Å; G217-T242 WeakPolarHBondContact O-CG2 3.29Å
218	K	97.8	Very high	95.9	Very high	63 Å²	63	52.4 Å²	52.4	27%	0.274	27%	0.273	S	S	.	.			trans	-64	140.4	172.7	-65.6	-177.7	-168.4	156.5	0	109.5	V206 F207 E214 N215 V216 G241 T242	V206-K218 CarbonylContact C-O 3.56Å; V206-K218 VanDerWaalsContact CA-O 3.23Å; V206-K218 WeakPolarHBondContact CA-O 3.44Å; V206-K218 WeakPolarHBondContact CB-O 3.21Å; F207-K218 HydrophobicContact CD2-CB 4.06Å; F207-K218 WeakPolarHBondContact CD2-O 3.47Å; F207-K218 PolarHBondContact N-O 3.14Å; E214-K218 WeakPolarHBondContact O-CE 3.39Å; E214-K218 PolarHBondContact O-NZ 2.88Å; N215-K218 HydrophobicContact CB-CD 4.43Å; N215-K218 VanDerWaalsContact O-CB 3.28Å; N215-K218 WeakPolarHBondContact O-CB 3.48Å; N215-K218 WeakPolarHBondContact O-CG 3.33Å; N215-K218 PolarHBondContact O-N 3.4Å; N215-K218 PolarHBondContact OD1-NZ 3.02Å; V216-K218 PolarHBondContact O-N 2.96Å; K218-G241 CarbonylContact C-O 3.59Å; K218-G241 VanDerWaalsContact CA-O 3.29Å; K218-G241 WeakPolarHBondContact CA-O 3.43Å; K218-T242 HydrophobicContact CG-CG2 4.45Å
219	I	98.1	Very high	95.7	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.7	-177.6	-53.1	162.4	0	0	0	108.7	Y204 V206 M221 L239 G241 F260	Y204-I219 HydrophobicContact CD1-CD1 4.18Å; Y204-I219 HydrophobicContact CD1-CG1 4.4Å; Y204-I219 HydrophobicContact CD1-CG2 4.24Å; Y204-I219 HydrophobicContact CE1-CD1 4.13Å; V206-I219 HydrophobicContact CG1-CB 4.38Å; V206-I219 HydrophobicContact CG1-CG1 3.92Å; I219-M221 WeakPolarHBondContact CG2-O 3.46Å; I219-L239 HydrophobicContact CB-CD2 4.15Å; I219-L239 HydrophobicContact CB-CG 4.27Å; I219-L239 HydrophobicContact CG2-CD1 4.48Å; I219-L239 HydrophobicContact CG2-CD2 3.48Å; I219-L239 VanDerWaalsContact CG2-CD2 3.48Å; I219-L239 HydrophobicContact CG2-CG 4.09Å; I219-G241 PolarHBondContact N-O 2.82Å; I219-F260 HydrophobicContact CD1-CB 3.82Å; I219-F260 HydrophobicContact CD1-CD1 3.94Å; I219-F260 HydrophobicContact CD1-CG 4.37Å
220	D	97	Very high	95.6	Very high	18 Å²	18	57.2 Å²	57.2	10%	0.096	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-46.7	170.7	-172.9	47.7	0	0	0	110	T111 D205 F207 R226	T111-D220 HydrophobicContact CG2-CB 4.43Å; D205-D220 PolarHBondContact O-N 2.78Å; F207-D220 HydrophobicContact CD2-CB 4.29Å; F207-D220 HydrophobicContact CE1-CB 4.45Å; F207-D220 HydrophobicContact CE2-CB 3.63Å; F207-D220 HydrophobicContact CZ-CB 3.72Å; F207-D220 WeakPolarHBondContact CZ-OD1 3.4Å; D220-R226 VanDerWaalsContact CG-NH2 3.35Å; D220-R226 WeakPolarHBondContact O-CG 3.49Å; D220-R226 IonicContact OD1-CZ 3.3Å; D220-R226 VanDerWaalsContact OD1-CZ 3.26Å; D220-R226 IonicContact OD1-NE 2.77Å; D220-R226 PolarHBondContact OD1-NE 3.49Å; D220-R226 IonicContact OD1-NH2 3.26Å; D220-R226 PolarHBondContact OD1-NH2 3.44Å; D220-R226 IonicContact OD2-CZ 2.74Å; D220-R226 IonicContact OD2-NE 2.78Å; D220-R226 PolarHBondContact OD2-NE 2.81Å; D220-R226 IonicContact OD2-NH2 3.53Å; D220-R226 PolarHBondContact OD2-NH2 2.91Å
221	M	97.2	Very high	95.6	Very high	51 Å²	51	52.1 Å²	52.1	25%	0.251	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.4	-178.5	-65	179.5	-72.9	0	0	112.3	D205 I219 S225 R226	D205-M221 HydrophobicContact CB-CB 4.08Å; D205-M221 HydrophobicContact CB-CE 4.06Å; D205-M221 PolarHBondContact N-O 2.93Å; D205-M221 PolarHBondContact O-N 3.36Å; D205-M221 VanDerWaalsContact OD2-CE 3.23Å; D205-M221 WeakPolarHBondContact OD2-CE 3.49Å; I219-M221 WeakPolarHBondContact CG2-O 3.46Å; M221-S225 VanDerWaalsContact CA-O 3.3Å; M221-S225 WeakPolarHBondContact CA-O 3.49Å; M221-R226 HydrophobicContact CG-CG 3.69Å
222	W	97.4	Very high	95.5	Very high	20 Å²	20	56 Å²	56	8%	0.076	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.1	166.1	-179.9	73.6	0	0	0	108.7	D201 Y204 G224 S225 L228 F230 L239 F260	D201-W222 PolarHBondContact OD1-NE1 3.34Å; Y204-W222 AromaticContact CD1-CD1 3.74Å; Y204-W222 AromaticContact CE1-CD1 3.41Å; Y204-W222 VanDerWaalsContact CE1-CD1 3.41Å; Y204-W222 HydrophobicContact CE1-CG 4.36Å; Y204-W222 AromaticContact CE1-NE1 3.93Å; Y204-W222 AromaticContact CE2-CD1 3.76Å; Y204-W222 AromaticContact CE2-NE1 3.73Å; Y204-W222 AromaticContact CZ-CD1 3.41Å; Y204-W222 VanDerWaalsContact CZ-CD1 3.41Å; Y204-W222 AromaticContact CZ-NE1 3.45Å; Y204-W222 PolarHBondContact OH-NE1 3.43Å; W222-G224 PolarHBondContact O-N 2.91Å; W222-S225 PolarHBondContact N-O 3.21Å; W222-S225 PolarHBondContact O-N 3.35Å; W222-L228 HydrophobicContact CE3-CD2 4.26Å; W222-F230 HydrophobicContact CH2-CE2 4.16Å; W222-F230 HydrophobicContact CH2-CZ 4.04Å; W222-F230 AromaticContact CZ3-CE2 3.81Å; W222-F230 HydrophobicContact CZ3-CE2 3.81Å; W222-F230 AromaticContact CZ3-CZ 3.78Å; W222-F230 HydrophobicContact CZ3-CZ 3.78Å; W222-L239 HydrophobicContact CB-CD1 4.37Å; W222-L239 HydrophobicContact CB-CD2 3.9Å; W222-F260 HydrophobicContact CB-CE1 4.46Å; W222-F260 AromaticContact CD1-CE1 3.96Å; W222-F260 AromaticContact CD2-CE1 3.91Å; W222-F260 HydrophobicContact CD2-CE1 3.91Å; W222-F260 AromaticContact CD2-CZ 3.96Å; W222-F260 HydrophobicContact CD2-CZ 3.96Å; W222-F260 AromaticContact CE2-CE1 3.97Å; W222-F260 HydrophobicContact CE3-CZ 4.13Å; W222-F260 AromaticContact CG-CE1 3.89Å; W222-F260 HydrophobicContact CG-CE1 3.89Å; W222-F260 HydrophobicContact CG-CZ 4.38Å; W222-F260 HydrophobicContact CH2-CZ 4.45Å; W222-F260 HydrophobicContact CZ2-CZ 4.3Å; W222-F260 HydrophobicContact CZ3-CZ 4.38Å; W222-F260 AromaticContact NE1-CE1 3.99Å
223	K	96.3	Very high	95.5	Very high	118 Å²	118	56.4 Å²	56.4	51%	0.513	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	36.9	-176.1	-64.6	-178.7	175.8	177.4	0	113.6	G202 P203 S225	G202-K223 VanDerWaalsContact O-CE 3.27Å; G202-K223 WeakPolarHBondContact O-CE 3.37Å; G202-K223 WeakPolarHBondContact O-CG 2.97Å; P203-K223 PolarHBondContact O-N 3.14Å; K223-S225 VanDerWaalsContact C-N 3.27Å; K223-S225 PolarHBondContact O-N 3.16Å
224	G	95.6	Very high	95.4	Very high	65 Å²	65	62.2 Å²	62.2	67%	0.67	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	10.3	179	0	0	0	0	0	114.8	W222	W222-G224 PolarHBondContact O-N 2.91Å
225	S	95.7	Very high	95.3	Very high	48 Å²	48	61.2 Å²	61.2	34%	0.336	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-121.1	146	177.8	-173.9	0	0	0	0	111.7	M221 W222 K223 S227	M221-S225 VanDerWaalsContact CA-O 3.3Å; M221-S225 WeakPolarHBondContact CA-O 3.49Å; W222-S225 PolarHBondContact N-O 3.21Å; W222-S225 PolarHBondContact O-N 3.35Å; K223-S225 VanDerWaalsContact C-N 3.27Å; K223-S225 PolarHBondContact O-N 3.16Å; S225-S227 VanDerWaalsContact CB-O 3.28Å; S225-S227 WeakPolarHBondContact CB-O 3.37Å; S225-S227 PolarHBondContact OG-N 3.33Å; S225-S227 PolarHBondContact OG-O 2.8Å
226	R	94.8	Very high	95.2	Very high	160 Å²	160	59.4 Å²	59.4	60%	0.604	32%	0.319	S	S	*	.	S	Bend	trans	-89.3	-6.8	172.1	-64.2	-169.9	165.4	-172	-7.6	113.2	D220 M221	D220-R226 VanDerWaalsContact CG-NH2 3.35Å; D220-R226 WeakPolarHBondContact O-CG 3.49Å; D220-R226 IonicContact OD1-CZ 3.3Å; D220-R226 VanDerWaalsContact OD1-CZ 3.26Å; D220-R226 IonicContact OD1-NE 2.77Å; D220-R226 PolarHBondContact OD1-NE 3.49Å; D220-R226 IonicContact OD1-NH2 3.26Å; D220-R226 PolarHBondContact OD1-NH2 3.44Å; D220-R226 IonicContact OD2-CZ 2.74Å; D220-R226 IonicContact OD2-NE 2.78Å; D220-R226 PolarHBondContact OD2-NE 2.81Å; D220-R226 IonicContact OD2-NH2 3.53Å; D220-R226 PolarHBondContact OD2-NH2 2.91Å; M221-R226 HydrophobicContact CG-CG 3.69Å
227	S	94.5	Very high	95.1	Very high	53 Å²	53	59.8 Å²	59.8	37%	0.371	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-128.4	156	172.9	87.4	0	0	0	0	110.2	S225 D237	S225-S227 VanDerWaalsContact CB-O 3.28Å; S225-S227 WeakPolarHBondContact CB-O 3.37Å; S225-S227 PolarHBondContact OG-N 3.33Å; S225-S227 PolarHBondContact OG-O 2.8Å; S227-D237 WeakPolarHBondContact CA-O 3.25Å; S227-D237 WeakPolarHBondContact CB-OD2 3.43Å; S227-D237 PolarHBondContact OG-OD2 3.11Å
228	L	94.1	Very high	95.1	Very high	11 Å²	11	64.8 Å²	64.8	6%	0.058	34%	0.338	C	S	.	.			trans	-73.9	-30.2	-172.7	-63.5	172.2	0	0	0	113	W222 F230 D237 L239 F260	W222-L228 HydrophobicContact CE3-CD2 4.26Å; L228-F230 HydrophobicContact CB-CB 4.48Å; L228-F230 HydrophobicContact CB-CD2 3.73Å; L228-F230 HydrophobicContact CB-CE2 4.25Å; L228-F230 HydrophobicContact CB-CG 4.28Å; L228-F230 PolarHBondContact O-N 2.01Å; L228-D237 WeakPolarHBondContact CB-OD1 3.27Å; L228-D237 PolarHBondContact N-O 2.59Å; L228-D237 PolarHBondContact N-OD2 3.34Å; L228-L239 HydrophobicContact CD2-CD1 3.89Å; L228-F260 HydrophobicContact CD1-CE2 4.29Å; L228-F260 HydrophobicContact CD2-CD2 3.95Å; L228-F260 HydrophobicContact CD2-CE2 3.34Å; L228-F260 HydrophobicContact CD2-CZ 3.76Å; L228-F260 HydrophobicContact CG-CE2 4.47Å
229	G	93.7	Very high	95	Very high	64 Å²	64	62.6 Å²	62.6	66%	0.66	33%	0.33	S	S	*	.	S	Bend	trans	70.6	15	-174.6	0	0	0	0	0	113.9	D237	G229-D237 WeakPolarHBondContact CA-OD2 3.27Å; G229-D237 PolarHBondContact N-OD1 2.87Å; G229-D237 PolarHBondContact N-OD2 3.3Å
230	F	93.8	Very high	94.9	Very high	48 Å²	48	64.7 Å²	64.7	21%	0.211	34%	0.341	C	S	.	.	S	Bend	trans	-104.7	-23.9	-176	-60	-37	0	0	0	113	W222 L228 D237 C265 S325 C326	W222-F230 HydrophobicContact CH2-CE2 4.16Å; W222-F230 HydrophobicContact CH2-CZ 4.04Å; W222-F230 AromaticContact CZ3-CE2 3.81Å; W222-F230 HydrophobicContact CZ3-CE2 3.81Å; W222-F230 AromaticContact CZ3-CZ 3.78Å; W222-F230 HydrophobicContact CZ3-CZ 3.78Å; L228-F230 HydrophobicContact CB-CB 4.48Å; L228-F230 HydrophobicContact CB-CD2 3.73Å; L228-F230 HydrophobicContact CB-CE2 4.25Å; L228-F230 HydrophobicContact CB-CG 4.28Å; L228-F230 PolarHBondContact O-N 2.01Å; F230-D237 PolarHBondContact N-OD1 3.48Å; F230-C265 HydrophobicContact CD2-CB 3.74Å; F230-C265 HydrophobicContact CE2-CB 3.97Å; F230-S325 WeakPolarHBondContact O-CB 3.34Å; F230-S325 PolarHBondContact O-OG 3.31Å; F230-C326 HydrophobicContact CD1-CB 3.78Å; F230-C326 HydrophobicContact CD2-CB 3.96Å; F230-C326 HydrophobicContact CE1-CB 3.6Å; F230-C326 HydrophobicContact CE2-CB 3.78Å; F230-C326 HydrophobicContact CG-CB 3.98Å; F230-C326 HydrophobicContact CZ-CB 3.6Å
231	W	94.1	Very high	94.8	Very high	16 Å²	16	64.7 Å²	64.7	6%	0.061	35%	0.345	C	S	.	.	S	Bend	trans	-119	130.1	-173.9	-48.5	100.7	0	0	0	109.4	D233 C236 D237 C265 R266 F305 L321 D322	W231-D233 PolarHBondContact O-N 3.36Å; W231-C236 HydrophobicContact CB-CB 3.63Å; W231-C236 HydrophobicContact CG-CB 3.98Å; W231-D237 HydrophobicContact CB-CB 4.13Å; W231-D237 PolarHBondContact N-OD1 3.34Å; W231-C265 PolarHBondContact NE1-O 3.15Å; W231-R266 HydrophobicContact CZ2-CB 4.22Å; W231-F305 AromaticContact CD2-CD1 3.52Å; W231-F305 HydrophobicContact CD2-CD1 3.52Å; W231-F305 AromaticContact CD2-CE1 3.82Å; W231-F305 HydrophobicContact CD2-CE1 3.82Å; W231-F305 AromaticContact CE2-CD1 3.61Å; W231-F305 AromaticContact CE2-CE1 3.74Å; W231-F305 HydrophobicContact CE3-CB 4.45Å; W231-F305 AromaticContact CE3-CD1 3.61Å; W231-F305 HydrophobicContact CE3-CD1 3.61Å; W231-F305 HydrophobicContact CE3-CE1 4.37Å; W231-F305 HydrophobicContact CE3-CG 4.48Å; W231-F305 HydrophobicContact CG-CD1 4.17Å; W231-F305 HydrophobicContact CG-CE1 4.05Å; W231-F305 AromaticContact CH2-CD1 3.87Å; W231-F305 HydrophobicContact CH2-CD1 3.87Å; W231-F305 AromaticContact CZ2-CD1 3.79Å; W231-F305 HydrophobicContact CZ2-CD1 3.79Å; W231-F305 HydrophobicContact CZ2-CE1 4.21Å; W231-F305 HydrophobicContact CZ3-CB 4.17Å; W231-F305 AromaticContact CZ3-CD1 3.78Å; W231-F305 HydrophobicContact CZ3-CD1 3.78Å; W231-F305 HydrophobicContact CZ3-CG 4.49Å; W231-F305 AromaticContact NE1-CE1 3.9Å; W231-L321 HydrophobicContact CH2-CD1 3.66Å; W231-L321 HydrophobicContact CH2-CG 4.14Å; W231-L321 HydrophobicContact CZ2-CD1 4.28Å; W231-L321 HydrophobicContact CZ3-CD1 4.36Å; W231-D322 VanDerWaalsContact CH2-O 3.27Å; W231-D322 WeakPolarHBondContact CH2-O 3.23Å
232	N	90.6	Very high	94.8	Very high	173 Å²	173	62.3 Å²	62.3	93%	0.925	33%	0.333	S	S	*	.	S	Bend	trans	-82	51.7	-179.4	-170.5	30.9	0	0	0	111.5
233	D	94.4	Very high	94.7	Very high	69 Å²	69	62.8 Å²	62.8	37%	0.369	34%	0.337	S	S	.	.	S	Bend	trans	-162.9	135.4	-178.1	-179.7	-88.3	0	0	0	110.2	W231 Y235 C236 D237 C304	W231-D233 PolarHBondContact O-N 3.36Å; D233-Y235 VanDerWaalsContact C-N 3.31Å; D233-Y235 PolarHBondContact O-N 3.38Å; D233-Y235 WeakPolarHBondContact OD1-CA 3.26Å; D233-Y235 VanDerWaalsContact OD1-CB 3.28Å; D233-Y235 WeakPolarHBondContact OD1-CB 3.38Å; D233-Y235 PolarHBondContact OD1-N 3.23Å; D233-C236 HydrophobicContact CB-CB 4.2Å; D233-C236 PolarHBondContact O-N 2.87Å; D233-C236 PolarHBondContact OD1-N 3.48Å; D233-D237 WeakPolarHBondContact O-CB 3.43Å; D233-D237 PolarHBondContact O-N 2.62Å; D233-C304 HydrophobicContact CB-CB 3.29Å; D233-C304 VanDerWaalsContact CG-SG 3.53Å; D233-C304 PolarHBondContact OD1-SG 2.87Å
234	E	93.1	Very high	94.6	Very high	145 Å²	145	57.8 Å²	57.8	68%	0.678	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-35.1	-175.8	-164.9	-161.6	133.8	0	0	112.8	R238	E234-R238 WeakPolarHBondContact O-CD 3.19Å; E234-R238 WeakPolarHBondContact O-CG 3.15Å; E234-R238 PolarHBondContact O-NE 3.12Å; E234-R238 IonicContact OE1-CZ 2.75Å; E234-R238 IonicContact OE1-NE 3.7Å; E234-R238 IonicContact OE1-NH2 3.34Å; E234-R238 PolarHBondContact OE1-NH2 2.69Å
235	Y	93.5	Very high	94.4	Very high	103 Å²	103	57.1 Å²	57.1	40%	0.404	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-48	179.6	165.6	-97.5	0	0	0	111.2	D233 D237 R238 D301	D233-Y235 VanDerWaalsContact C-N 3.31Å; D233-Y235 PolarHBondContact O-N 3.38Å; D233-Y235 WeakPolarHBondContact OD1-CA 3.26Å; D233-Y235 VanDerWaalsContact OD1-CB 3.28Å; D233-Y235 WeakPolarHBondContact OD1-CB 3.38Å; D233-Y235 PolarHBondContact OD1-N 3.23Å; Y235-D237 VanDerWaalsContact C-N 3.3Å; Y235-D237 PolarHBondContact O-N 2.9Å; Y235-R238 PolarHBondContact O-N 3.36Å; Y235-D301 HydrophobicContact CE1-CB 4.06Å
236	C	94.8	Very high	94.3	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.3	-179.2	-82.3	0	0	0	0	113.3	W231 D233 R238 C304 F305	W231-C236 HydrophobicContact CB-CB 3.63Å; W231-C236 HydrophobicContact CG-CB 3.98Å; D233-C236 HydrophobicContact CB-CB 4.2Å; D233-C236 PolarHBondContact O-N 2.87Å; D233-C236 PolarHBondContact OD1-N 3.48Å; C236-R238 VanDerWaalsContact C-N 3.33Å; C236-C304 HydrophobicContact CB-CB 3.77Å; C236-C304 WeakPolarHBondContact CB-SG 3.23Å; C236-C304 WeakPolarHBondContact SG-CB 3.31Å; C236-C304 CovalentContact SG-SG 2Å; C236-C304 PolarHBondContact SG-SG 2.78Å; C236-F305 HydrophobicContact CB-CD1 4.03Å; C236-F305 HydrophobicContact CB-CE1 3.51Å; C236-F305 HydrophobicContact CB-CE2 4.07Å; C236-F305 HydrophobicContact CB-CZ 3.53Å; C236-F305 WeakPolarHBondContact SG-CD2 3.24Å; C236-F305 VanDerWaalsContact SG-CE1 3.54Å; C236-F305 WeakPolarHBondContact SG-CE2 3.44Å; C236-F305 VanDerWaalsContact SG-CG 3.59Å; C236-F305 WeakPolarHBondContact SG-CZ 3.34Å
237	D	95.4	Very high	94.4	Very high	14 Å²	14	48.3 Å²	48.3	8%	0.075	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.2	-177.2	-151.7	57.8	0	0	0	114	S227 L228 G229 F230 W231 D233 Y235	S227-D237 WeakPolarHBondContact CA-O 3.25Å; S227-D237 WeakPolarHBondContact CB-OD2 3.43Å; S227-D237 PolarHBondContact OG-OD2 3.11Å; L228-D237 WeakPolarHBondContact CB-OD1 3.27Å; L228-D237 PolarHBondContact N-O 2.59Å; L228-D237 PolarHBondContact N-OD2 3.34Å; G229-D237 WeakPolarHBondContact CA-OD2 3.27Å; G229-D237 PolarHBondContact N-OD1 2.87Å; G229-D237 PolarHBondContact N-OD2 3.3Å; F230-D237 PolarHBondContact N-OD1 3.48Å; W231-D237 HydrophobicContact CB-CB 4.13Å; W231-D237 PolarHBondContact N-OD1 3.34Å; D233-D237 WeakPolarHBondContact O-CB 3.43Å; D233-D237 PolarHBondContact O-N 2.62Å; Y235-D237 VanDerWaalsContact C-N 3.3Å; Y235-D237 PolarHBondContact O-N 2.9Å
238	R	95.4	Very high	94.5	Very high	109 Å²	109	47.1 Å²	47.1	41%	0.411	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-67.7	134.8	178.6	-84.9	160.4	-165.7	-161.2	2.9	112.6	E234 Y235 C236 S267	E234-R238 WeakPolarHBondContact O-CD 3.19Å; E234-R238 WeakPolarHBondContact O-CG 3.15Å; E234-R238 PolarHBondContact O-NE 3.12Å; E234-R238 IonicContact OE1-CZ 2.75Å; E234-R238 IonicContact OE1-NE 3.7Å; E234-R238 IonicContact OE1-NH2 3.34Å; E234-R238 PolarHBondContact OE1-NH2 2.69Å; Y235-R238 PolarHBondContact O-N 3.36Å; C236-R238 VanDerWaalsContact C-N 3.33Å; R238-S267 PolarHBondContact O-OG 3.2Å
239	L	95.1	Very high	94.5	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.094	26%	0.258	C	S	.	.			trans	-86.7	103	166.5	-170.1	66.7	0	0	0	108.6	I219 W222 L228 F260	I219-L239 HydrophobicContact CB-CD2 4.15Å; I219-L239 HydrophobicContact CB-CG 4.27Å; I219-L239 HydrophobicContact CG2-CD1 4.48Å; I219-L239 HydrophobicContact CG2-CD2 3.48Å; I219-L239 VanDerWaalsContact CG2-CD2 3.48Å; I219-L239 HydrophobicContact CG2-CG 4.09Å; W222-L239 HydrophobicContact CB-CD1 4.37Å; W222-L239 HydrophobicContact CB-CD2 3.9Å; L228-L239 HydrophobicContact CD2-CD1 3.89Å; L239-F260 HydrophobicContact CD1-CB 3.72Å; L239-F260 HydrophobicContact CD1-CD1 3.6Å; L239-F260 HydrophobicContact CD1-CD2 3.72Å; L239-F260 HydrophobicContact CD1-CE1 4.08Å; L239-F260 HydrophobicContact CD1-CE2 4.22Å; L239-F260 HydrophobicContact CD1-CG 3.37Å; L239-F260 HydrophobicContact CD1-CZ 4.37Å
240	N	95.7	Very high	94.5	Very high	53 Å²	53	47.6 Å²	47.6	28%	0.283	24%	0.241	S	C	.	.			trans	-115.9	132.9	-173.9	-72.8	-32.2	0	0	0	111.4	F258 F259 F260 S267	N240-F258 HydrophobicContact CB-CB 4.27Å; N240-F258 HydrophobicContact CB-CD1 4.31Å; N240-F259 CarbonylContact O-C 3.55Å; N240-F260 PolarHBondContact O-N 2.9Å; N240-S267 PolarHBondContact N-OG 3.48Å
241	G	96.4	Very high	94.6	Very high	18 Å²	18	46 Å²	46	19%	0.186	24%	0.236	C	C	.	.	S	Bend	trans	78.2	-146	168.5	0	0	0	0	0	113.6	K218 I219 F258	K218-G241 CarbonylContact C-O 3.59Å; K218-G241 VanDerWaalsContact CA-O 3.29Å; K218-G241 WeakPolarHBondContact CA-O 3.43Å; I219-G241 PolarHBondContact N-O 2.82Å; G241-F258 WeakPolarHBondContact CA-O 3.49Å
242	T	97.1	Very high	94.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-102.9	-179.1	-164.7	138.7	0	0	0	0	111.5	G217 K218 A244 S246 F247 F258 F259 F260	G217-T242 VanDerWaalsContact C-CG2 3.44Å; G217-T242 WeakPolarHBondContact O-CG2 3.29Å; K218-T242 HydrophobicContact CG-CG2 4.45Å; T242-A244 WeakPolarHBondContact OG1-CA 3.33Å; T242-A244 PolarHBondContact OG1-N 2.92Å; T242-S246 WeakPolarHBondContact CB-O 3.37Å; T242-S246 WeakPolarHBondContact CG2-O 3.44Å; T242-S246 PolarHBondContact OG1-O 2.88Å; T242-F247 HydrophobicContact CG2-CD1 4.41Å; T242-F258 PolarHBondContact N-O 2.8Å; T242-F258 VanDerWaalsContact N-O 3.16Å; T242-F259 CarbonylContact O-C 3.57Å; T242-F259 WeakPolarHBondContact O-CA 3.15Å; T242-F259 VanDerWaalsContact O-CB 3.26Å; T242-F259 WeakPolarHBondContact O-CB 3.44Å; T242-F260 PolarHBondContact O-N 3.19Å
243	D	93.9	Very high	95	Very high	30 Å²	30	47 Å²	47	16%	0.16	23%	0.233	C	C	.	.			trans	-85.4	6.9	166.5	73.7	-6.9	0	0	0	113.6	S245	D243-S245 PolarHBondContact O-N 2.84Å; D243-S245 VanDerWaalsContact OD1-CB 3.24Å; D243-S245 WeakPolarHBondContact OD1-CB 3.23Å; D243-S245 PolarHBondContact OD1-N 2.92Å; D243-S245 PolarHBondContact OD1-OG 2.86Å; D243-S245 PolarHBondContact OD2-OG 2.74Å
244	A	95.1	Very high	95.1	Very high	14 Å²	14	52.5 Å²	52.5	12%	0.116	25%	0.253	C	S	.	.	S	Bend	trans	67.7	2.6	-174.4	0	0	0	0	0	116.5	T242 F247 F259 L364 T373	T242-A244 WeakPolarHBondContact OG1-CA 3.33Å; T242-A244 PolarHBondContact OG1-N 2.92Å; A244-F247 HydrophobicContact CB-CZ 4Å; A244-F259 HydrophobicContact CB-CB 3.8Å; A244-F259 HydrophobicContact CB-CD1 4.25Å; A244-F259 HydrophobicContact CB-CD2 3.85Å; A244-F259 HydrophobicContact CB-CE2 4.47Å; A244-F259 HydrophobicContact CB-CG 3.72Å; A244-L364 HydrophobicContact CB-CD1 4.27Å; A244-L364 HydrophobicContact CB-CD2 4.29Å; A244-T373 PolarHBondContact O-OG1 2.86Å
245	S	91.3	Very high	95.1	Very high	51 Å²	51	49.2 Å²	49.2	36%	0.357	24%	0.24	S	C	.	.	S	Bend	trans	-72.3	-34.2	173	68.5	0	0	0	0	112.1	D243 T373	D243-S245 PolarHBondContact O-N 2.84Å; D243-S245 VanDerWaalsContact OD1-CB 3.24Å; D243-S245 WeakPolarHBondContact OD1-CB 3.23Å; D243-S245 PolarHBondContact OD1-N 2.92Å; D243-S245 PolarHBondContact OD1-OG 2.86Å; D243-S245 PolarHBondContact OD2-OG 2.74Å; S245-T373 WeakPolarHBondContact O-CB 3.38Å; S245-T373 PolarHBondContact O-N 2.84Å; S245-T373 PolarHBondContact O-OG1 2.83Å
246	S	93.3	Very high	95.3	Very high	17 Å²	17	47 Å²	47	12%	0.119	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-149.5	160.9	171.7	60.3	0	0	0	0	110.8	T242 G371	T242-S246 WeakPolarHBondContact CB-O 3.37Å; T242-S246 WeakPolarHBondContact CG2-O 3.44Å; T242-S246 PolarHBondContact OG1-O 2.88Å; S246-G371 CarbonylContact C-O 3.57Å
247	F	96.7	Very high	95.4	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.022	24%	0.242	C	C	.	.			trans	-126.3	164.5	176.1	-63.6	-81.6	0	0	0	109.6	T242 A244 V251 L257 F259 L364 V366 G371	T242-F247 HydrophobicContact CG2-CD1 4.41Å; A244-F247 HydrophobicContact CB-CZ 4Å; F247-V251 HydrophobicContact CB-CG2 4.4Å; F247-L257 HydrophobicContact CB-CD2 4.34Å; F247-L257 HydrophobicContact CD1-CB 4.04Å; F247-L257 HydrophobicContact CD1-CD1 4.29Å; F247-L257 HydrophobicContact CD1-CD2 3.95Å; F247-L257 HydrophobicContact CD1-CG 4.32Å; F247-L257 HydrophobicContact CD2-CD1 3.85Å; F247-L257 HydrophobicContact CE1-CB 3.69Å; F247-L257 HydrophobicContact CE1-CD1 4.3Å; F247-L257 HydrophobicContact CE1-CD2 4.47Å; F247-L257 HydrophobicContact CE1-CG 4.38Å; F247-L257 HydrophobicContact CE2-CD1 3.86Å; F247-L257 HydrophobicContact CG-CD1 4.06Å; F247-L257 HydrophobicContact CG-CD2 4.05Å; F247-L257 HydrophobicContact CG-CG 4.49Å; F247-L257 HydrophobicContact CZ-CB 3.98Å; F247-L257 HydrophobicContact CZ-CD1 4.08Å; F247-F259 HydrophobicContact CE1-CB 4.43Å; F247-F259 HydrophobicContact CZ-CD1 4.32Å; F247-L364 HydrophobicContact CE2-CD1 4.21Å; F247-L364 HydrophobicContact CZ-CD1 3.98Å; F247-V366 HydrophobicContact CD2-CG1 4.07Å; F247-V366 HydrophobicContact CD2-CG2 3.88Å; F247-V366 HydrophobicContact CE2-CG2 3.85Å; F247-G371 PolarHBondContact N-O 3.47Å; F247-G371 WeakPolarHBondContact O-CA 3.36Å
248	P	96.6	Very high	95.5	Very high	28 Å²	28	51.2 Å²	51.2	18%	0.182	26%	0.257	C	S	.	.			trans	-53.2	143.6	170.1	-26.3	35.2	0	0	0	112.2	E214 V216 V251	E214-P248 WeakPolarHBondContact O-CG 3.36Å; V216-P248 HydrophobicContact CG1-CB 4.27Å; V216-P248 HydrophobicContact CG1-CG 4.44Å; P248-V251 VanDerWaalsContact O-CG2 3.32Å; P248-V251 WeakPolarHBondContact O-CG2 3.48Å
249	P	94.5	Very high	95.6	Very high	13 Å²	13	47 Å²	47	8%	0.084	24%	0.241	C	C	.	.	S	Bend	trans	-64.6	167.3	-177.1	27.1	-34.7	0	0	0	112.3	V39 A43 I213 T369	V39-P249 HydrophobicContact CG1-CB 3.77Å; V39-P249 HydrophobicContact CG1-CG 4.48Å; A43-P249 HydrophobicContact CB-CG 4.4Å; I213-P249 HydrophobicContact CD1-CG 4.47Å; I213-P249 HydrophobicContact CG1-CG 3.57Å; P249-T369 WeakPolarHBondContact CA-O 3.39Å; P249-T369 WeakPolarHBondContact CB-O 3.5Å
250	F	94	Very high	95.7	Very high	72 Å²	72	46.3 Å²	46.3	32%	0.316	24%	0.238	S	C	.	.	S	Bend	trans	59.9	45.6	-178.9	-43	-68.8	0	0	0	114.1	Q36 V39 E40 K252 P368 T369	Q36-F250 HydrophobicContact CB-CZ 4.14Å; Q36-F250 HydrophobicContact CG-CE2 3.93Å; Q36-F250 HydrophobicContact CG-CZ 3.79Å; V39-F250 HydrophobicContact CB-CE1 4.37Å; V39-F250 HydrophobicContact CB-CZ 3.79Å; V39-F250 HydrophobicContact CG1-CE1 4.24Å; V39-F250 HydrophobicContact CG1-CE2 4.3Å; V39-F250 HydrophobicContact CG1-CZ 3.74Å; V39-F250 HydrophobicContact CG2-CZ 4.42Å; E40-F250 HydrophobicContact CG-CE2 4.03Å; F250-K252 PolarHBondContact O-N 2.87Å; F250-P368 CarbonylContact C-O 3.58Å; F250-P368 WeakPolarHBondContact CA-O 3.14Å; F250-P368 PolarHBondContact N-O 2.85Å; F250-T369 HydrophobicContact CD1-CG2 4.47Å; F250-T369 HydrophobicContact CE1-CG2 4.11Å; F250-T369 PolarHBondContact N-O 3.22Å
251	V	96.3	Very high	95.7	Very high	16 Å²	16	44.2 Å²	44.2	10%	0.097	23%	0.227	C	C	.	.			trans	-57.8	128.7	179.9	175.2	0	0	0	0	111.1	F247 P248 L257 Y284 Y286 V366 P368	F247-V251 HydrophobicContact CB-CG2 4.4Å; P248-V251 VanDerWaalsContact O-CG2 3.32Å; P248-V251 WeakPolarHBondContact O-CG2 3.48Å; V251-L257 HydrophobicContact CG1-CD1 4.49Å; V251-L257 HydrophobicContact CG1-CD2 4.06Å; V251-Y284 HydrophobicContact CG1-CD2 4.41Å; V251-Y284 WeakPolarHBondContact O-CE2 3.34Å; V251-Y286 HydrophobicContact CG1-CE2 3.97Å; V251-Y286 WeakPolarHBondContact CG1-OH 3.27Å; V251-V366 HydrophobicContact CG2-CG1 4.2Å; V251-P368 PolarHBondContact N-O 2.82Å
252	K	95.7	Very high	95.6	Very high	117 Å²	117	44.6 Å²	44.6	51%	0.509	23%	0.227	S	C	.	.			trans	-102.6	135.8	179.7	-56.3	176.1	-166.4	148.6	0	110.5	F250 K254 D255 Y286	F250-K252 PolarHBondContact O-N 2.87Å; K252-K254 PolarHBondContact O-N 2.9Å; K252-D255 HydrophobicContact CB-CB 4.5Å; K252-D255 WeakPolarHBondContact CB-OD2 3.33Å; K252-D255 WeakPolarHBondContact CD-OD2 3.44Å; K252-D255 PolarHBondContact O-N 2.97Å; K252-Y286 PolarHBondContact O-OH 3.06Å
253	K	96.9	Very high	95.4	Very high	93 Å²	93	47.6 Å²	47.6	40%	0.404	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.9	180	-61.2	-176.7	176.2	-168.7	0	115.2	Y272 T275 Y284	K253-Y272 HydrophobicContact CB-CD1 4.12Å; K253-Y272 HydrophobicContact CB-CD2 4.13Å; K253-Y272 HydrophobicContact CB-CE1 4.44Å; K253-Y272 HydrophobicContact CB-CE2 4.46Å; K253-Y272 HydrophobicContact CB-CG 3.94Å; K253-Y272 HydrophobicContact CD-CD1 4.44Å; K253-Y272 HydrophobicContact CD-CD2 4.37Å; K253-Y272 HydrophobicContact CD-CE1 3.93Å; K253-Y272 HydrophobicContact CD-CE2 3.86Å; K253-Y272 WeakPolarHBondContact CE-OH 3.09Å; K253-Y272 HydrophobicContact CG-CD1 4.44Å; K253-Y272 HydrophobicContact CG-CD2 3.91Å; K253-Y272 HydrophobicContact CG-CE1 4.37Å; K253-Y272 HydrophobicContact CG-CE2 3.83Å; K253-Y272 HydrophobicContact CG-CG 4.21Å; K253-Y272 PolarHBondContact NZ-OH 2.87Å; K253-Y272 VanDerWaalsContact NZ-OH 3.1Å; K253-Y272 WeakPolarHBondContact O-CB 3.42Å; K253-T275 PolarHBondContact NZ-OG1 2.95Å; K253-Y284 VanDerWaalsContact CE-CE1 3.43Å; K253-Y284 VanDerWaalsContact CE-CZ 3.41Å; K253-Y284 HydrophobicContact CG-CD2 4Å; K253-Y284 HydrophobicContact CG-CE1 4.46Å; K253-Y284 HydrophobicContact CG-CE2 3.62Å
254	K	96.1	Very high	95.4	Very high	184 Å²	184	47.1 Å²	47.1	80%	0.8	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-19.8	-176.7	-1.8	178.9	-178.5	177.1	0	112.3	K252	K252-K254 PolarHBondContact O-N 2.9Å
255	D	94.2	Very high	95.4	Very high	75 Å²	75	46.7 Å²	46.7	40%	0.401	24%	0.236	S	C	.	.	S	Bend	trans	-94.9	127.7	-170.9	-59.9	-15.8	0	0	0	108.5	K252	K252-D255 HydrophobicContact CB-CB 4.5Å; K252-D255 WeakPolarHBondContact CB-OD2 3.33Å; K252-D255 WeakPolarHBondContact CD-OD2 3.44Å; K252-D255 PolarHBondContact O-N 2.97Å
256	P	95.9	Very high	95.6	Very high	57 Å²	57	45 Å²	45	37%	0.37	22%	0.222	S	C	.	.			trans	-70.4	142.5	174.4	29	-33.5	0	0	0	110.5	F258 A270	P256-F258 HydrophobicContact CB-CE2 4.33Å; P256-F258 HydrophobicContact CG-CE2 3.75Å; P256-F258 HydrophobicContact CG-CZ 4.22Å; P256-A270 WeakPolarHBondContact CA-O 3.05Å
257	L	97.6	Very high	95.8	Very high	16 Å²	16	44.7 Å²	44.7	8%	0.084	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	109.7	176	-64.5	-176.2	0	0	0	109.6	F247 V251 S269 A270 Y286 V366	F247-L257 HydrophobicContact CB-CD2 4.34Å; F247-L257 HydrophobicContact CD1-CB 4.04Å; F247-L257 HydrophobicContact CD1-CD1 4.29Å; F247-L257 HydrophobicContact CD1-CD2 3.95Å; F247-L257 HydrophobicContact CD1-CG 4.32Å; F247-L257 HydrophobicContact CD2-CD1 3.85Å; F247-L257 HydrophobicContact CE1-CB 3.69Å; F247-L257 HydrophobicContact CE1-CD1 4.3Å; F247-L257 HydrophobicContact CE1-CD2 4.47Å; F247-L257 HydrophobicContact CE1-CG 4.38Å; F247-L257 HydrophobicContact CE2-CD1 3.86Å; F247-L257 HydrophobicContact CG-CD1 4.06Å; F247-L257 HydrophobicContact CG-CD2 4.05Å; F247-L257 HydrophobicContact CG-CG 4.49Å; F247-L257 HydrophobicContact CZ-CB 3.98Å; F247-L257 HydrophobicContact CZ-CD1 4.08Å; V251-L257 HydrophobicContact CG1-CD1 4.49Å; V251-L257 HydrophobicContact CG1-CD2 4.06Å; L257-S269 CarbonylContact O-C 3.56Å; L257-S269 WeakPolarHBondContact O-CA 2.94Å; L257-A270 PolarHBondContact N-O 3.03Å; L257-A270 PolarHBondContact O-N 3.03Å; L257-Y286 HydrophobicContact CB-CD1 4.43Å; L257-Y286 HydrophobicContact CD1-CD1 3.83Å; L257-Y286 HydrophobicContact CD1-CD2 3.55Å; L257-Y286 HydrophobicContact CD1-CE1 3.94Å; L257-Y286 HydrophobicContact CD1-CE2 3.63Å; L257-Y286 HydrophobicContact CD1-CG 3.67Å; L257-Y286 HydrophobicContact CG-CD1 3.86Å; L257-Y286 HydrophobicContact CG-CD2 4.43Å; L257-Y286 HydrophobicContact CG-CE1 3.76Å; L257-Y286 HydrophobicContact CG-CE2 4.3Å; L257-Y286 HydrophobicContact CG-CG 4.23Å; L257-V366 HydrophobicContact CD1-CG2 3.91Å
258	F	97.2	Very high	95.8	Very high	88 Å²	88	44.9 Å²	44.9	39%	0.386	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139.2	176	-70.3	-87.3	0	0	0	111.4	N240 G241 T242 P256 V268	N240-F258 HydrophobicContact CB-CB 4.27Å; N240-F258 HydrophobicContact CB-CD1 4.31Å; G241-F258 WeakPolarHBondContact CA-O 3.49Å; T242-F258 PolarHBondContact N-O 2.8Å; T242-F258 VanDerWaalsContact N-O 3.16Å; P256-F258 HydrophobicContact CB-CE2 4.33Å; P256-F258 HydrophobicContact CG-CE2 3.75Å; P256-F258 HydrophobicContact CG-CZ 4.22Å; F258-V268 WeakPolarHBondContact CA-O 3.44Å
259	F	97.3	Very high	95.7	Very high	20 Å²	20	44.9 Å²	44.9	9%	0.088	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151	173.7	57.4	-86.3	0	0	0	111.7	N240 T242 A244 F247 S267 V268 A270 L288 L364	N240-F259 CarbonylContact O-C 3.55Å; T242-F259 CarbonylContact O-C 3.57Å; T242-F259 WeakPolarHBondContact O-CA 3.15Å; T242-F259 VanDerWaalsContact O-CB 3.26Å; T242-F259 WeakPolarHBondContact O-CB 3.44Å; A244-F259 HydrophobicContact CB-CB 3.8Å; A244-F259 HydrophobicContact CB-CD1 4.25Å; A244-F259 HydrophobicContact CB-CD2 3.85Å; A244-F259 HydrophobicContact CB-CE2 4.47Å; A244-F259 HydrophobicContact CB-CG 3.72Å; F247-F259 HydrophobicContact CE1-CB 4.43Å; F247-F259 HydrophobicContact CZ-CD1 4.32Å; F259-S267 WeakPolarHBondContact O-CA 3.36Å; F259-V268 HydrophobicContact CD2-CG2 3.81Å; F259-V268 HydrophobicContact CE1-CG2 4.08Å; F259-V268 HydrophobicContact CE2-CG2 3.29Å; F259-V268 HydrophobicContact CG-CG2 4.4Å; F259-V268 HydrophobicContact CZ-CG2 3.45Å; F259-V268 VanDerWaalsContact CZ-CG2 3.45Å; F259-V268 PolarHBondContact N-O 2.82Å; F259-V268 PolarHBondContact O-N 3.32Å; F259-A270 HydrophobicContact CE1-CB 3.96Å; F259-L288 HydrophobicContact CZ-CD2 4.2Å; F259-L364 HydrophobicContact CD1-CD1 4.28Å; F259-L364 HydrophobicContact CE1-CD1 3.85Å; F259-L364 HydrophobicContact CZ-CD1 4.28Å
260	F	97.3	Very high	95.8	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.4	172.1	168.5	-114.8	0	0	0	110.2	Y204 I219 W222 L228 L239 N240 T242	Y204-F260 HydrophobicContact CE1-CD1 4.07Å; Y204-F260 HydrophobicContact CE1-CE1 4.08Å; I219-F260 HydrophobicContact CD1-CB 3.82Å; I219-F260 HydrophobicContact CD1-CD1 3.94Å; I219-F260 HydrophobicContact CD1-CG 4.37Å; W222-F260 HydrophobicContact CB-CE1 4.46Å; W222-F260 AromaticContact CD1-CE1 3.96Å; W222-F260 AromaticContact CD2-CE1 3.91Å; W222-F260 HydrophobicContact CD2-CE1 3.91Å; W222-F260 AromaticContact CD2-CZ 3.96Å; W222-F260 HydrophobicContact CD2-CZ 3.96Å; W222-F260 AromaticContact CE2-CE1 3.97Å; W222-F260 HydrophobicContact CE3-CZ 4.13Å; W222-F260 AromaticContact CG-CE1 3.89Å; W222-F260 HydrophobicContact CG-CE1 3.89Å; W222-F260 HydrophobicContact CG-CZ 4.38Å; W222-F260 HydrophobicContact CH2-CZ 4.45Å; W222-F260 HydrophobicContact CZ2-CZ 4.3Å; W222-F260 HydrophobicContact CZ3-CZ 4.38Å; W222-F260 AromaticContact NE1-CE1 3.99Å; L228-F260 HydrophobicContact CD1-CE2 4.29Å; L228-F260 HydrophobicContact CD2-CD2 3.95Å; L228-F260 HydrophobicContact CD2-CE2 3.34Å; L228-F260 HydrophobicContact CD2-CZ 3.76Å; L228-F260 HydrophobicContact CG-CE2 4.47Å; L239-F260 HydrophobicContact CD1-CB 3.72Å; L239-F260 HydrophobicContact CD1-CD1 3.6Å; L239-F260 HydrophobicContact CD1-CD2 3.72Å; L239-F260 HydrophobicContact CD1-CE1 4.08Å; L239-F260 HydrophobicContact CD1-CE2 4.22Å; L239-F260 HydrophobicContact CD1-CG 3.37Å; L239-F260 HydrophobicContact CD1-CZ 4.37Å; N240-F260 PolarHBondContact O-N 2.9Å; T242-F260 PolarHBondContact O-N 3.19Å
261	S	95.6	Very high	96	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.063	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	111	171.4	169	0	0	0	0	109.4	D263 I264 C265 R266 K378	S261-D263 PolarHBondContact O-N 2.87Å; S261-I264 WeakPolarHBondContact O-CG1 3.47Å; S261-I264 PolarHBondContact O-N 3.19Å; S261-I264 VanDerWaalsContact O-N 3.1Å; S261-C265 PolarHBondContact O-N 2.87Å; S261-C265 VanDerWaalsContact O-N 3.17Å; S261-R266 PolarHBondContact N-O 2.77Å; S261-K378 PolarHBondContact OG-NZ 2.85Å
262	S	94.5	Very high	96	Very high	26 Å²	26	44.9 Å²	44.9	18%	0.182	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-54.9	-36.2	175.6	53.6	0	0	0	0	112.5	D201 Y204 I264 C265	D201-S262 VanDerWaalsContact OD2-CB 3.25Å; D201-S262 WeakPolarHBondContact OD2-CB 3.46Å; D201-S262 PolarHBondContact OD2-OG 2.91Å; Y204-S262 PolarHBondContact OH-OG 2.97Å; S262-I264 PolarHBondContact O-N 2.83Å; S262-I264 VanDerWaalsContact O-N 3.1Å; S262-C265 PolarHBondContact O-N 2.83Å; S262-C265 VanDerWaalsContact O-N 3.17Å
263	D	92.9	Very high	96.1	Very high	64 Å²	64	42.9 Å²	42.9	34%	0.342	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-58	-24.7	177.8	-60.9	-29.4	0	0	0	114.7	S261 K378	S261-D263 PolarHBondContact O-N 2.87Å; D263-K378 IonicContact OD2-NZ 3.48Å; D263-K378 PolarHBondContact OD2-NZ 3.48Å
264	I	94.7	Very high	96.1	Very high	20 Å²	20	43.5 Å²	43.5	10%	0.103	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-119.5	4.8	-178.9	68.6	171.9	0	0	0	112.6	S261 S262 R266 V268 I334 I380	S261-I264 WeakPolarHBondContact O-CG1 3.47Å; S261-I264 PolarHBondContact O-N 3.19Å; S261-I264 VanDerWaalsContact O-N 3.1Å; S262-I264 PolarHBondContact O-N 2.83Å; S262-I264 VanDerWaalsContact O-N 3.1Å; I264-R266 HydrophobicContact CD1-CG 4.07Å; I264-R266 HydrophobicContact CG1-CG 4.09Å; I264-R266 PolarHBondContact O-N 3.05Å; I264-R266 VanDerWaalsContact O-N 3.14Å; I264-V268 HydrophobicContact CD1-CG1 3.81Å; I264-V268 HydrophobicContact CD1-CG2 4.44Å; I264-I334 HydrophobicContact CB-CG2 4.29Å; I264-I334 HydrophobicContact CG2-CG1 4.33Å; I264-I334 HydrophobicContact CG2-CG2 3.61Å; I264-I380 HydrophobicContact CG2-CD1 3.69Å
265	C	95.3	Very high	96.2	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.034	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	28.7	172.5	-50.6	0	0	0	0	115	F230 W231 S261 S262 C326	F230-C265 HydrophobicContact CD2-CB 3.74Å; F230-C265 HydrophobicContact CE2-CB 3.97Å; W231-C265 PolarHBondContact NE1-O 3.15Å; S261-C265 PolarHBondContact O-N 2.87Å; S261-C265 VanDerWaalsContact O-N 3.17Å; S262-C265 PolarHBondContact O-N 2.83Å; S262-C265 VanDerWaalsContact O-N 3.17Å; C265-C326 HydrophobicContact CB-CB 3.61Å; C265-C326 WeakPolarHBondContact CB-SG 3.16Å; C265-C326 WeakPolarHBondContact SG-CB 3.42Å; C265-C326 CovalentContact SG-SG 2Å; C265-C326 PolarHBondContact SG-SG 3.28Å
266	R	95.9	Very high	96.3	Very high	14 Å²	14	34.6 Å²	34.6	5%	0.053	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	163.8	174.8	65	171.5	-72.9	-176.9	-2.6	112.9	W231 S261 I264 V268 F305 L321	W231-R266 HydrophobicContact CZ2-CB 4.22Å; S261-R266 PolarHBondContact N-O 2.77Å; I264-R266 HydrophobicContact CD1-CG 4.07Å; I264-R266 HydrophobicContact CG1-CG 4.09Å; I264-R266 PolarHBondContact O-N 3.05Å; I264-R266 VanDerWaalsContact O-N 3.14Å; R266-V268 HydrophobicContact CG-CG1 4.21Å; R266-F305 HydrophobicContact CB-CE1 3.97Å; R266-F305 VanDerWaalsContact CZ-CD2 3.49Å; R266-F305 VanDerWaalsContact NH2-CZ 3.26Å; R266-L321 HydrophobicContact CG-CD2 3.94Å
267	S	96.6	Very high	96.3	Very high	11 Å²	11	37 Å²	37	8%	0.077	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	144	165.5	-49.6	0	0	0	0	110.7	R238 N240 F259	R238-S267 PolarHBondContact O-OG 3.2Å; N240-S267 PolarHBondContact N-OG 3.48Å; F259-S267 WeakPolarHBondContact O-CA 3.36Å
268	V	96	Very high	96	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	173.8	175.6	-66.4	0	0	0	0	109.8	F258 F259 I264 R266 L288 T292	F258-V268 WeakPolarHBondContact CA-O 3.44Å; F259-V268 HydrophobicContact CD2-CG2 3.81Å; F259-V268 HydrophobicContact CE1-CG2 4.08Å; F259-V268 HydrophobicContact CE2-CG2 3.29Å; F259-V268 HydrophobicContact CG-CG2 4.4Å; F259-V268 HydrophobicContact CZ-CG2 3.45Å; F259-V268 VanDerWaalsContact CZ-CG2 3.45Å; F259-V268 PolarHBondContact N-O 2.82Å; F259-V268 PolarHBondContact O-N 3.32Å; I264-V268 HydrophobicContact CD1-CG1 3.81Å; I264-V268 HydrophobicContact CD1-CG2 4.44Å; R266-V268 HydrophobicContact CG-CG1 4.21Å; V268-L288 HydrophobicContact CB-CD2 4.14Å; V268-L288 HydrophobicContact CG2-CD2 4.02Å; V268-T292 HydrophobicContact CB-CG2 4.21Å; V268-T292 HydrophobicContact CG1-CG2 3.86Å
269	S	95.6	Very high	95.8	Very high	28 Å²	28	37 Å²	37	20%	0.196	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150	172.5	59.7	0	0	0	0	111.8	L257	L257-S269 CarbonylContact O-C 3.56Å; L257-S269 WeakPolarHBondContact O-CA 2.94Å
270	A	96.7	Very high	95.4	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.017	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.6	171.2	0	0	0	0	0	110.6	P256 L257 F259 S287 L364	P256-A270 WeakPolarHBondContact CA-O 3.05Å; L257-A270 PolarHBondContact N-O 3.03Å; L257-A270 PolarHBondContact O-N 3.03Å; F259-A270 HydrophobicContact CE1-CB 3.96Å; A270-S287 CarbonylContact C-O 3.42Å; A270-S287 VanDerWaalsContact CA-O 3.29Å; A270-S287 WeakPolarHBondContact CA-O 3.26Å; A270-L364 HydrophobicContact CB-CD1 4.41Å
271	S	97.2	Very high	95.1	Very high	30 Å²	30	38.3 Å²	38.3	21%	0.21	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149	-178.6	-62	0	0	0	0	111.6	E273 Y286 S287 L289	S271-E273 PolarHBondContact O-N 3.42Å; S271-Y286 CarbonylContact O-C 3.36Å; S271-Y286 VanDerWaalsContact O-CA 3.27Å; S271-Y286 WeakPolarHBondContact O-CA 3.45Å; S271-S287 PolarHBondContact N-O 3.19Å; S271-S287 PolarHBondContact O-N 3.45Å; S271-L289 WeakPolarHBondContact OG-CD1 3.23Å
272	Y	98.1	Very high	95	Very high	69 Å²	69	43 Å²	43	27%	0.271	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	128.2	179.8	175.6	-97.5	0	0	0	110.9	K253 R274 T275 Y284 Y286	K253-Y272 HydrophobicContact CB-CD1 4.12Å; K253-Y272 HydrophobicContact CB-CD2 4.13Å; K253-Y272 HydrophobicContact CB-CE1 4.44Å; K253-Y272 HydrophobicContact CB-CE2 4.46Å; K253-Y272 HydrophobicContact CB-CG 3.94Å; K253-Y272 HydrophobicContact CD-CD1 4.44Å; K253-Y272 HydrophobicContact CD-CD2 4.37Å; K253-Y272 HydrophobicContact CD-CE1 3.93Å; K253-Y272 HydrophobicContact CD-CE2 3.86Å; K253-Y272 WeakPolarHBondContact CE-OH 3.09Å; K253-Y272 HydrophobicContact CG-CD1 4.44Å; K253-Y272 HydrophobicContact CG-CD2 3.91Å; K253-Y272 HydrophobicContact CG-CE1 4.37Å; K253-Y272 HydrophobicContact CG-CE2 3.83Å; K253-Y272 HydrophobicContact CG-CG 4.21Å; K253-Y272 PolarHBondContact NZ-OH 2.87Å; K253-Y272 VanDerWaalsContact NZ-OH 3.1Å; K253-Y272 WeakPolarHBondContact O-CB 3.42Å; Y272-R274 VanDerWaalsContact CE2-C 3.44Å; Y272-R274 WeakPolarHBondContact CE2-O 3.46Å; Y272-R274 VanDerWaalsContact CZ-C 3.43Å; Y272-R274 VanDerWaalsContact OH-C 3.3Å; Y272-T275 PolarHBondContact OH-N 2.91Å; Y272-T275 VanDerWaalsContact OH-N 3.08Å; Y272-T275 PolarHBondContact OH-OG1 3.26Å; Y272-Y284 HydrophobicContact CD2-CD2 4.49Å; Y272-Y284 HydrophobicContact CD2-CG 4.15Å; Y272-Y284 HydrophobicContact CE2-CD1 4.01Å; Y272-Y284 AromaticContact CE2-CG 3.93Å; Y272-Y284 HydrophobicContact CE2-CG 3.93Å; Y272-Y286 VanDerWaalsContact N-CD1 3.27Å
273	E	96.3	Very high	95.1	Very high	75 Å²	75	41.8 Å²	41.8	35%	0.35	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-56.5	174.5	-174.7	-171.5	152.4	0	0	109.9	S271 R285 K361	S271-E273 PolarHBondContact O-N 3.42Å; E273-R285 HydrophobicContact CB-CG 4.35Å; E273-R285 WeakPolarHBondContact CB-O 3.28Å; E273-R285 PolarHBondContact N-O 3.35Å; E273-K361 IonicContact OE1-NZ 3.42Å; E273-K361 PolarHBondContact OE1-NZ 3.44Å; E273-K361 IonicContact OE2-NZ 3.83Å; E273-K361 PolarHBondContact OE2-NZ 2.88Å
274	R	97.2	Very high	95.4	Very high	106 Å²	106	41 Å²	41	40%	0.4	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	168.9	-174.1	62.1	-173.1	-175.8	87.2	-2.9	112.2	Y272 V276 R285	Y272-R274 VanDerWaalsContact CE2-C 3.44Å; Y272-R274 WeakPolarHBondContact CE2-O 3.46Å; Y272-R274 VanDerWaalsContact CZ-C 3.43Å; Y272-R274 VanDerWaalsContact OH-C 3.3Å; R274-V276 HydrophobicContact CG-CG2 4.47Å; R274-R285 HydrophobicContact CG-CB 4.17Å; R274-R285 VanDerWaalsContact NH2-NH1 3.13Å; R274-R285 WeakPolarHBondContact O-CB 3.37Å; R274-R285 PolarHBondContact O-N 3.4Å
275	T	98.1	Very high	95.6	Very high	51 Å²	51	41.5 Å²	41.5	31%	0.313	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.2	168.7	-61.3	0	0	0	0	109.6	K253 Y272 D282 V283 Y284	K253-T275 PolarHBondContact NZ-OG1 2.95Å; Y272-T275 PolarHBondContact OH-N 2.91Å; Y272-T275 VanDerWaalsContact OH-N 3.08Å; Y272-T275 PolarHBondContact OH-OG1 3.26Å; T275-D282 HydrophobicContact CG2-CB 4.48Å; T275-V283 WeakPolarHBondContact CA-O 3.29Å; T275-Y284 HydrophobicContact CG2-CD1 4.46Å
276	V	96.7	Very high	95.7	Very high	22 Å²	22	41.3 Å²	41.3	13%	0.133	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.2	179.7	-178.2	0	0	0	0	107.8	R274 V283 R285	R274-V276 HydrophobicContact CG-CG2 4.47Å; V276-V283 HydrophobicContact CB-CG2 3.87Å; V276-V283 HydrophobicContact CG1-CG2 4.48Å; V276-V283 PolarHBondContact N-O 3.15Å; V276-V283 WeakPolarHBondContact O-CG2 3.3Å; V276-V283 PolarHBondContact O-N 3.24Å; V276-R285 HydrophobicContact CG2-CB 3.91Å
277	D	95.1	Very high	95.7	Very high	107 Å²	107	41.6 Å²	41.6	57%	0.572	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	108.8	165.7	177.2	15.4	0	0	0	109	G280 I281	D277-G280 WeakPolarHBondContact OD1-CA 3.47Å; D277-G280 PolarHBondContact OD1-N 3.15Å; D277-I281 PolarHBondContact OD1-N 3.35Å
278	L	92.9	Very high	95.6	Very high	24 Å²	24	43 Å²	43	13%	0.126	23%	0.226	C	C	.	.	S	Bend	trans	-102.1	92.8	176.8	-176.2	67.3	0	0	0	109.2	G280 I281 V283 L374 N375 L415	L278-G280 VanDerWaalsContact C-N 3.29Å; L278-G280 PolarHBondContact O-N 3.11Å; L278-I281 PolarHBondContact N-O 2.81Å; L278-I281 VanDerWaalsContact O-CB 3.31Å; L278-I281 WeakPolarHBondContact O-CB 3.38Å; L278-I281 PolarHBondContact O-N 3.01Å; L278-I281 VanDerWaalsContact O-N 3.1Å; L278-V283 HydrophobicContact CB-CG1 4.29Å; L278-V283 HydrophobicContact CB-CG2 3.86Å; L278-V283 HydrophobicContact CD2-CG1 4.47Å; L278-L374 HydrophobicContact CD2-CB 3.76Å; L278-N375 HydrophobicContact CD1-CB 4.31Å; L278-N375 HydrophobicContact CD2-CB 3.69Å; L278-L415 HydrophobicContact CD2-CB 4.11Å; L278-L415 HydrophobicContact CD2-CD2 4.1Å; L278-L415 HydrophobicContact CG-CD2 4.41Å
279	K	91.5	Very high	95.4	Very high	80 Å²	80	46 Å²	46	35%	0.348	24%	0.242	S	C	.	.	S	Bend	trans	58.8	35	178.3	-54.3	-175	170.4	-168	0	113.4	L415 D417 A420 K424	K279-L415 WeakPolarHBondContact CE-O 3.47Å; K279-L415 PolarHBondContact NZ-O 3.28Å; K279-D417 WeakPolarHBondContact CD-OD1 3.39Å; K279-D417 VanDerWaalsContact CE-OD1 3.28Å; K279-D417 WeakPolarHBondContact CE-OD1 3.3Å; K279-D417 VanDerWaalsContact NZ-N 3.16Å; K279-D417 IonicContact NZ-OD1 3.13Å; K279-D417 PolarHBondContact NZ-OD1 2.81Å; K279-A420 HydrophobicContact CB-CB 4.34Å; K279-A420 HydrophobicContact CD-CB 3.96Å; K279-K424 WeakPolarHBondContact O-CE 3.44Å; K279-K424 PolarHBondContact O-NZ 3.04Å
280	G	89.9	Confident	95.3	Very high	49 Å²	49	48.1 Å²	48.1	51%	0.505	25%	0.254	S	S	.	.	S	Bend	trans	87.3	15.4	-175.9	0	0	0	0	0	113.9	D277 L278	D277-G280 WeakPolarHBondContact OD1-CA 3.47Å; D277-G280 PolarHBondContact OD1-N 3.15Å; L278-G280 VanDerWaalsContact C-N 3.29Å; L278-G280 PolarHBondContact O-N 3.11Å
281	I	91.2	Very high	95.1	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	27%	0.271	C	S	.	.			trans	-119.4	118.5	177	-54.2	169.1	0	0	0	107.7	D277 L278 V283 E367 L374 L415 A420 F423 K424 I428	D277-I281 PolarHBondContact OD1-N 3.35Å; L278-I281 PolarHBondContact N-O 2.81Å; L278-I281 VanDerWaalsContact O-CB 3.31Å; L278-I281 WeakPolarHBondContact O-CB 3.38Å; L278-I281 PolarHBondContact O-N 3.01Å; L278-I281 VanDerWaalsContact O-N 3.1Å; I281-V283 HydrophobicContact CG2-CG1 4.04Å; I281-V283 PolarHBondContact O-N 3.18Å; I281-E367 HydrophobicContact CG2-CG 3.96Å; I281-L374 HydrophobicContact CD1-CD1 4.28Å; I281-L374 HydrophobicContact CG2-CD1 4Å; I281-L415 HydrophobicContact CD1-CD2 3.77Å; I281-A420 HydrophobicContact CD1-CB 4.45Å; I281-F423 HydrophobicContact CD1-CD1 3.76Å; I281-F423 HydrophobicContact CD1-CE1 4.47Å; I281-F423 HydrophobicContact CG2-CD1 4.5Å; I281-F423 HydrophobicContact CG2-CE1 4.17Å; I281-K424 HydrophobicContact CD1-CG 4.21Å; I281-K424 HydrophobicContact CG1-CG 4Å; I281-I428 HydrophobicContact CB-CD1 4.24Å; I281-I428 HydrophobicContact CD1-CD1 4.39Å; I281-I428 HydrophobicContact CG1-CD1 3.75Å; I281-I428 HydrophobicContact CG2-CD1 3.82Å
282	D	93.9	Very high	95	Very high	109 Å²	109	49.7 Å²	49.7	58%	0.583	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	115.9	175.5	-80	-24.2	0	0	0	110.3	T275 P368	T275-D282 HydrophobicContact CG2-CB 4.48Å; D282-P368 VanDerWaalsContact O-CD 3.31Å; D282-P368 WeakPolarHBondContact O-CD 3.39Å
283	V	96.4	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.5	178.4	-61.9	0	0	0	0	111.1	T275 V276 L278 I281 D365 E367 L374	T275-V283 WeakPolarHBondContact CA-O 3.29Å; V276-V283 HydrophobicContact CB-CG2 3.87Å; V276-V283 HydrophobicContact CG1-CG2 4.48Å; V276-V283 PolarHBondContact N-O 3.15Å; V276-V283 WeakPolarHBondContact O-CG2 3.3Å; V276-V283 PolarHBondContact O-N 3.24Å; L278-V283 HydrophobicContact CB-CG1 4.29Å; L278-V283 HydrophobicContact CB-CG2 3.86Å; L278-V283 HydrophobicContact CD2-CG1 4.47Å; I281-V283 HydrophobicContact CG2-CG1 4.04Å; I281-V283 PolarHBondContact O-N 3.18Å; V283-D365 HydrophobicContact CB-CB 4.25Å; V283-D365 HydrophobicContact CG2-CB 3.75Å; V283-E367 HydrophobicContact CG1-CB 4.22Å; V283-L374 HydrophobicContact CG1-CD1 4.06Å
284	Y	98.3	Very high	94.9	Very high	47 Å²	47	45.2 Å²	45.2	18%	0.184	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.3	174.9	-68.8	-4.8	0	0	0	109.6	V251 K253 Y272 T275 Y286 D365 V366 P368	V251-Y284 HydrophobicContact CG1-CD2 4.41Å; V251-Y284 WeakPolarHBondContact O-CE2 3.34Å; K253-Y284 VanDerWaalsContact CE-CE1 3.43Å; K253-Y284 VanDerWaalsContact CE-CZ 3.41Å; K253-Y284 HydrophobicContact CG-CD2 4Å; K253-Y284 HydrophobicContact CG-CE1 4.46Å; K253-Y284 HydrophobicContact CG-CE2 3.62Å; Y272-Y284 HydrophobicContact CD2-CD2 4.49Å; Y272-Y284 HydrophobicContact CD2-CG 4.15Å; Y272-Y284 HydrophobicContact CE2-CD1 4.01Å; Y272-Y284 AromaticContact CE2-CG 3.93Å; Y272-Y284 HydrophobicContact CE2-CG 3.93Å; T275-Y284 HydrophobicContact CG2-CD1 4.46Å; Y284-Y286 HydrophobicContact CD2-CE2 4.36Å; Y284-Y286 HydrophobicContact CG-CE2 4.48Å; Y284-Y286 WeakPolarHBondContact O-CD2 3.44Å; Y284-Y286 PolarHBondContact O-N 3Å; Y284-D365 WeakPolarHBondContact O-CA 3.19Å; Y284-V366 PolarHBondContact N-O 2.72Å; Y284-V366 PolarHBondContact O-N 2Å; Y284-P368 HydrophobicContact CD1-CG 4.47Å; Y284-P368 HydrophobicContact CD2-CB 3.84Å; Y284-P368 HydrophobicContact CE1-CB 4.26Å; Y284-P368 HydrophobicContact CE1-CG 4.09Å; Y284-P368 HydrophobicContact CE2-CB 3.46Å; Y284-P368 VanDerWaalsContact CE2-CB 3.46Å; Y284-P368 HydrophobicContact CE2-CG 4.19Å; Y284-P368 HydrophobicContact CG-CB 4.37Å
285	R	98	Very high	94.8	Very high	31 Å²	31	40.3 Å²	40.3	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.9	172.6	-178.4	157.1	-67.5	-174.6	3.3	109.7	E273 R274 V276 F363 L364 D365	E273-R285 HydrophobicContact CB-CG 4.35Å; E273-R285 WeakPolarHBondContact CB-O 3.28Å; E273-R285 PolarHBondContact N-O 3.35Å; R274-R285 HydrophobicContact CG-CB 4.17Å; R274-R285 VanDerWaalsContact NH2-NH1 3.13Å; R274-R285 WeakPolarHBondContact O-CB 3.37Å; R274-R285 PolarHBondContact O-N 3.4Å; V276-R285 HydrophobicContact CG2-CB 3.91Å; R285-F363 HydrophobicContact CG-CB 4.28Å; R285-L364 CarbonylContact C-O 3.56Å; R285-L364 WeakPolarHBondContact CA-O 3.28Å; R285-D365 WeakPolarHBondContact CA-OD1 3.37Å; R285-D365 VanDerWaalsContact CB-OD1 3.31Å; R285-D365 WeakPolarHBondContact CB-OD1 3.47Å; R285-D365 WeakPolarHBondContact CG-OD1 3.42Å; R285-D365 IonicContact CZ-OD1 2.79Å; R285-D365 IonicContact CZ-OD2 2.76Å; R285-D365 IonicContact NE-OD1 3.8Å; R285-D365 PolarHBondContact NE-OD1 2.67Å; R285-D365 IonicContact NE-OD2 2.82Å; R285-D365 IonicContact NH2-OD1 2.74Å; R285-D365 PolarHBondContact NH2-OD1 3.01Å; R285-D365 IonicContact NH2-OD2 3.72Å; R285-D365 PolarHBondContact NH2-OD2 3.47Å
286	Y	98	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.7	170.2	-73.6	-96.3	0	0	0	110	V251 K252 L257 S271 Y272 Y284 F363 L364 V366	V251-Y286 HydrophobicContact CG1-CE2 3.97Å; V251-Y286 WeakPolarHBondContact CG1-OH 3.27Å; K252-Y286 PolarHBondContact O-OH 3.06Å; L257-Y286 HydrophobicContact CB-CD1 4.43Å; L257-Y286 HydrophobicContact CD1-CD1 3.83Å; L257-Y286 HydrophobicContact CD1-CD2 3.55Å; L257-Y286 HydrophobicContact CD1-CE1 3.94Å; L257-Y286 HydrophobicContact CD1-CE2 3.63Å; L257-Y286 HydrophobicContact CD1-CG 3.67Å; L257-Y286 HydrophobicContact CG-CD1 3.86Å; L257-Y286 HydrophobicContact CG-CD2 4.43Å; L257-Y286 HydrophobicContact CG-CE1 3.76Å; L257-Y286 HydrophobicContact CG-CE2 4.3Å; L257-Y286 HydrophobicContact CG-CG 4.23Å; S271-Y286 CarbonylContact O-C 3.36Å; S271-Y286 VanDerWaalsContact O-CA 3.27Å; S271-Y286 WeakPolarHBondContact O-CA 3.45Å; Y272-Y286 VanDerWaalsContact N-CD1 3.27Å; Y284-Y286 HydrophobicContact CD2-CE2 4.36Å; Y284-Y286 HydrophobicContact CG-CE2 4.48Å; Y284-Y286 WeakPolarHBondContact O-CD2 3.44Å; Y284-Y286 PolarHBondContact O-N 3Å; Y286-F363 CarbonylContact O-C 3.57Å; Y286-F363 WeakPolarHBondContact O-CA 3.43Å; Y286-F363 WeakPolarHBondContact O-CB 3.29Å; Y286-L364 PolarHBondContact N-O 2.82Å; Y286-L364 PolarHBondContact O-N 3Å; Y286-V366 HydrophobicContact CD2-CB 4.43Å; Y286-V366 HydrophobicContact CD2-CG2 4.26Å
287	S	96.3	Very high	94.5	Very high	21 Å²	21	44.4 Å²	44.4	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.1	177.2	59.6	0	0	0	0	111.4	A270 S271	A270-S287 CarbonylContact C-O 3.42Å; A270-S287 VanDerWaalsContact CA-O 3.29Å; A270-S287 WeakPolarHBondContact CA-O 3.26Å; S271-S287 PolarHBondContact N-O 3.19Å; S271-S287 PolarHBondContact O-N 3.45Å
288	L	94.3	Very high	94.5	Very high	40 Å²	40	45.1 Å²	45.1	21%	0.209	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.1	171.2	-69.6	167	0	0	0	109	F259 V268 T292 T362	F259-L288 HydrophobicContact CZ-CD2 4.2Å; V268-L288 HydrophobicContact CB-CD2 4.14Å; V268-L288 HydrophobicContact CG2-CD2 4.02Å; L288-T292 HydrophobicContact CD2-CG2 4.29Å; L288-T362 HydrophobicContact CD1-CG2 3.82Å; L288-T362 HydrophobicContact CG-CG2 4.26Å
289	L	92.4	Very high	94.7	Very high	73 Å²	73	45.5 Å²	45.5	38%	0.382	26%	0.258	S	S	.	.			trans	-75.5	149.5	175.7	-67.4	178.6	0	0	0	110.7	S271 S291 T292	S271-L289 WeakPolarHBondContact OG-CD1 3.23Å; L289-S291 WeakPolarHBondContact CB-OG 3.36Å; L289-S291 PolarHBondContact O-N 3.49Å; L289-S291 VanDerWaalsContact O-N 3.09Å; L289-T292 VanDerWaalsContact O-CB 3.29Å; L289-T292 WeakPolarHBondContact O-CB 3.46Å; L289-T292 PolarHBondContact O-N 3.47Å; L289-T292 PolarHBondContact O-OG1 3.08Å; L289-T292 VanDerWaalsContact O-OG1 3.07Å
290	P	92.1	Very high	94.9	Very high	71 Å²	71	46 Å²	46	46%	0.461	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-55.6	-29.2	172.4	-24.7	33.2	0	0	0	112.9	T292 A294 H341	P290-T292 PolarHBondContact O-N 3.15Å; P290-A294 PolarHBondContact O-N 3.01Å; P290-H341 HydrophobicContact CB-CB 4.47Å
291	S	93.9	Very high	95.1	Very high	51 Å²	51	48.2 Å²	48.2	36%	0.357	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-65.1	-19.5	176.4	56.3	0	0	0	0	114	L289 L293 A294 N299 N302	L289-S291 WeakPolarHBondContact CB-OG 3.36Å; L289-S291 PolarHBondContact O-N 3.49Å; L289-S291 VanDerWaalsContact O-N 3.09Å; S291-L293 VanDerWaalsContact C-N 3.32Å; S291-L293 PolarHBondContact O-N 2.99Å; S291-A294 PolarHBondContact O-N 3.14Å; S291-N299 PolarHBondContact O-ND2 3.17Å; S291-N302 PolarHBondContact O-ND2 2.96Å
292	T	94.2	Very high	95.3	Very high	15 Å²	15	48.6 Å²	48.6	9%	0.092	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.6	-39.3	-178.6	-58	0	0	0	0	112.2	V268 L288 L289 P290 N302	V268-T292 HydrophobicContact CB-CG2 4.21Å; V268-T292 HydrophobicContact CG1-CG2 3.86Å; L288-T292 HydrophobicContact CD2-CG2 4.29Å; L289-T292 VanDerWaalsContact O-CB 3.29Å; L289-T292 WeakPolarHBondContact O-CB 3.46Å; L289-T292 PolarHBondContact O-N 3.47Å; L289-T292 PolarHBondContact O-OG1 3.08Å; L289-T292 VanDerWaalsContact O-OG1 3.07Å; P290-T292 PolarHBondContact O-N 3.15Å; T292-N302 PolarHBondContact O-ND2 2.8Å
293	L	95.2	Very high	95.4	Very high	34 Å²	34	50.9 Å²	50.9	18%	0.178	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-112	13.3	177.6	-61.7	179.7	0	0	0	112.5	S291 G319 L321 L336	S291-L293 VanDerWaalsContact C-N 3.32Å; S291-L293 PolarHBondContact O-N 2.99Å; L293-G319 WeakPolarHBondContact O-CA 3.3Å; L293-G319 PolarHBondContact O-N 3.1Å; L293-L321 HydrophobicContact CD2-CB 4.16Å; L293-L336 HydrophobicContact CD1-CG 4.28Å
294	A	96.5	Very high	95.3	Very high	15 Å²	15	52.5 Å²	52.5	12%	0.124	29%	0.287	C	S	.	.			trans	-67.9	157.7	179	0	0	0	0	0	111.8	P290 S291 D298 N299 N302	P290-A294 PolarHBondContact O-N 3.01Å; S291-A294 PolarHBondContact O-N 3.14Å; A294-D298 HydrophobicContact CB-CB 4.12Å; A294-N299 HydrophobicContact CB-CB 4.2Å; A294-N302 PolarHBondContact O-ND2 3.12Å
295	S	96.1	Very high	95.1	Very high	4 Å²	4	51 Å²	51	3%	0.028	28%	0.282	C	S	.	.			trans	-64.7	154.6	176.1	76.7	0	0	0	0	110.9	L297 D298 N299	S295-L297 PolarHBondContact O-N 3.19Å; S295-L297 WeakPolarHBondContact OG-CB 3.36Å; S295-L297 PolarHBondContact OG-N 2.72Å; S295-D298 PolarHBondContact O-N 3.48Å; S295-D298 PolarHBondContact OG-OD2 3.29Å; S295-N299 PolarHBondContact O-N 2.97Å
296	P	94.9	Very high	94.9	Very high	30 Å²	30	50.7 Å²	50.7	20%	0.195	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-16.5	168.8	-32.5	36.5	0	0	0	116.2	N299 P300 K303 C315	P296-N299 WeakPolarHBondContact CA-O 3.48Å; P296-P300 WeakPolarHBondContact O-CA 3.28Å; P296-K303 HydrophobicContact CB-CB 4.2Å; P296-K303 HydrophobicContact CG-CB 4.35Å; P296-C315 VanDerWaalsContact CD-O 3.29Å; P296-C315 WeakPolarHBondContact CD-O 3.05Å; P296-C315 HydrophobicContact CG-CB 3.99Å
297	L	93.7	Very high	94.3	Very high	128 Å²	128	54.1 Å²	54.1	67%	0.67	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-38.3	172.8	-64	177.3	0	0	0	111.9	S295 T316	S295-L297 PolarHBondContact O-N 3.19Å; S295-L297 WeakPolarHBondContact OG-CB 3.36Å; S295-L297 PolarHBondContact OG-N 2.72Å; L297-T316 HydrophobicContact CD1-CG2 3.76Å; L297-T316 HydrophobicContact CG-CG2 4.45Å
298	D	95	Very high	93.9	Very high	123 Å²	123	55.4 Å²	55.4	66%	0.658	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-35.1	-178.6	-53.1	-56.6	0	0	0	111.5	A294 S295	A294-D298 HydrophobicContact CB-CB 4.12Å; S295-D298 PolarHBondContact O-N 3.48Å; S295-D298 PolarHBondContact OG-OD2 3.29Å
299	N	96.1	Very high	93.7	Very high	31 Å²	31	58.3 Å²	58.3	17%	0.166	33%	0.327	C	S	.	.			trans	-131.9	93.1	176.7	-175.6	6.6	0	0	0	110.9	S291 A294 S295 P296 D301 N302	S291-N299 PolarHBondContact O-ND2 3.17Å; A294-N299 HydrophobicContact CB-CB 4.2Å; S295-N299 PolarHBondContact O-N 2.97Å; P296-N299 WeakPolarHBondContact CA-O 3.48Å; N299-D301 PolarHBondContact O-N 3.32Å; N299-D301 VanDerWaalsContact O-N 3.1Å; N299-D301 PolarHBondContact OD1-N 2.89Å; N299-N302 WeakPolarHBondContact O-CB 3.46Å; N299-N302 PolarHBondContact O-N 3.41Å
300	P	95.8	Very high	93.5	Very high	91 Å²	91	61.7 Å²	61.7	59%	0.591	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-55.8	-27.4	-177.7	-28.5	36.6	0	0	0	115.1	P296 N302 K303	P296-P300 WeakPolarHBondContact O-CA 3.28Å; P300-N302 PolarHBondContact O-N 3.47Å; P300-K303 VanDerWaalsContact O-CB 3.26Å; P300-K303 WeakPolarHBondContact O-CB 3.34Å; P300-K303 PolarHBondContact O-N 2.95Å; P300-K303 VanDerWaalsContact O-N 3.1Å
301	D	94.6	Very high	93.4	Very high	95 Å²	95	58.6 Å²	58.6	51%	0.508	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-63.3	-22.6	178	-63.2	-18.2	0	0	0	112	Y235 N299 K303	Y235-D301 HydrophobicContact CE1-CB 4.06Å; N299-D301 PolarHBondContact O-N 3.32Å; N299-D301 VanDerWaalsContact O-N 3.1Å; N299-D301 PolarHBondContact OD1-N 2.89Å; D301-K303 PolarHBondContact O-N 3.12Å
302	N	95.9	Very high	93.2	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.059	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-78.5	-2.5	177.9	-77	-18.8	0	0	0	114.1	S291 T292 A294 N299 P300 C304 F305	S291-N302 PolarHBondContact O-ND2 2.96Å; T292-N302 PolarHBondContact O-ND2 2.8Å; A294-N302 PolarHBondContact O-ND2 3.12Å; N299-N302 WeakPolarHBondContact O-CB 3.46Å; N299-N302 PolarHBondContact O-N 3.41Å; P300-N302 PolarHBondContact O-N 3.47Å; N302-C304 VanDerWaalsContact C-N 3.26Å; N302-C304 PolarHBondContact O-N 2.91Å; N302-F305 HydrophobicContact CB-CD2 4.47Å; N302-F305 PolarHBondContact O-N 3.27Å
303	K	94.9	Very high	93.1	Very high	158 Å²	158	60.1 Å²	60.1	69%	0.687	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-55.6	-39.5	-176.4	-174	176.7	179.2	-177.8	0	113	P296 P300 D301 F305 C306	P296-K303 HydrophobicContact CB-CB 4.2Å; P296-K303 HydrophobicContact CG-CB 4.35Å; P300-K303 VanDerWaalsContact O-CB 3.26Å; P300-K303 WeakPolarHBondContact O-CB 3.34Å; P300-K303 PolarHBondContact O-N 2.95Å; P300-K303 VanDerWaalsContact O-N 3.1Å; D301-K303 PolarHBondContact O-N 3.12Å; K303-F305 VanDerWaalsContact C-N 3.28Å; K303-F305 PolarHBondContact O-N 2.87Å; K303-C306 PolarHBondContact O-N 2.83Å
304	C	94.8	Very high	92.9	Very high	33 Å²	33	64.4 Å²	64.4	22%	0.223	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-75.2	-12.6	-178.8	45.5	0	0	0	0	114.6	D233 C236 N302 C306	D233-C304 HydrophobicContact CB-CB 3.29Å; D233-C304 VanDerWaalsContact CG-SG 3.53Å; D233-C304 PolarHBondContact OD1-SG 2.87Å; C236-C304 HydrophobicContact CB-CB 3.77Å; C236-C304 WeakPolarHBondContact CB-SG 3.23Å; C236-C304 WeakPolarHBondContact SG-CB 3.31Å; C236-C304 CovalentContact SG-SG 2Å; C236-C304 PolarHBondContact SG-SG 2.78Å; N302-C304 VanDerWaalsContact C-N 3.26Å; N302-C304 PolarHBondContact O-N 2.91Å; C304-C306 VanDerWaalsContact C-N 3.31Å
305	F	95.1	Very high	92.8	Very high	15 Å²	15	64.3 Å²	64.3	7%	0.066	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-84	-6.9	171.1	-63.2	-66.1	0	0	0	113	W231 C236 R266 N302 K303 S307 L321	W231-F305 AromaticContact CD2-CD1 3.52Å; W231-F305 HydrophobicContact CD2-CD1 3.52Å; W231-F305 AromaticContact CD2-CE1 3.82Å; W231-F305 HydrophobicContact CD2-CE1 3.82Å; W231-F305 AromaticContact CE2-CD1 3.61Å; W231-F305 AromaticContact CE2-CE1 3.74Å; W231-F305 HydrophobicContact CE3-CB 4.45Å; W231-F305 AromaticContact CE3-CD1 3.61Å; W231-F305 HydrophobicContact CE3-CD1 3.61Å; W231-F305 HydrophobicContact CE3-CE1 4.37Å; W231-F305 HydrophobicContact CE3-CG 4.48Å; W231-F305 HydrophobicContact CG-CD1 4.17Å; W231-F305 HydrophobicContact CG-CE1 4.05Å; W231-F305 AromaticContact CH2-CD1 3.87Å; W231-F305 HydrophobicContact CH2-CD1 3.87Å; W231-F305 AromaticContact CZ2-CD1 3.79Å; W231-F305 HydrophobicContact CZ2-CD1 3.79Å; W231-F305 HydrophobicContact CZ2-CE1 4.21Å; W231-F305 HydrophobicContact CZ3-CB 4.17Å; W231-F305 AromaticContact CZ3-CD1 3.78Å; W231-F305 HydrophobicContact CZ3-CD1 3.78Å; W231-F305 HydrophobicContact CZ3-CG 4.49Å; W231-F305 AromaticContact NE1-CE1 3.9Å; C236-F305 HydrophobicContact CB-CD1 4.03Å; C236-F305 HydrophobicContact CB-CE1 3.51Å; C236-F305 HydrophobicContact CB-CE2 4.07Å; C236-F305 HydrophobicContact CB-CZ 3.53Å; C236-F305 WeakPolarHBondContact SG-CD2 3.24Å; C236-F305 VanDerWaalsContact SG-CE1 3.54Å; C236-F305 WeakPolarHBondContact SG-CE2 3.44Å; C236-F305 VanDerWaalsContact SG-CG 3.59Å; C236-F305 WeakPolarHBondContact SG-CZ 3.34Å; R266-F305 HydrophobicContact CB-CE1 3.97Å; R266-F305 VanDerWaalsContact CZ-CD2 3.49Å; R266-F305 VanDerWaalsContact NH2-CZ 3.26Å; N302-F305 HydrophobicContact CB-CD2 4.47Å; N302-F305 PolarHBondContact O-N 3.27Å; K303-F305 VanDerWaalsContact C-N 3.28Å; K303-F305 PolarHBondContact O-N 2.87Å; F305-S307 PolarHBondContact O-N 2.79Å; F305-L321 HydrophobicContact CB-CD1 3.85Å; F305-L321 HydrophobicContact CD1-CD1 4.27Å; F305-L321 HydrophobicContact CG-CD1 4.25Å
306	C	93.1	Very high	92.7	Very high	26 Å²	26	67.1 Å²	67.1	18%	0.176	36%	0.357	C	S	.	.			trans	-87.8	100.1	177	-174.4	0	0	0	0	111.3	K303 C304 T312 C315	K303-C306 PolarHBondContact O-N 2.83Å; C304-C306 VanDerWaalsContact C-N 3.31Å; C306-T312 PolarHBondContact SG-OG1 3.11Å; C306-T312 VanDerWaalsContact SG-OG1 3.36Å; C306-C315 HydrophobicContact CB-CB 3.75Å; C306-C315 WeakPolarHBondContact CB-SG 3.27Å; C306-C315 VanDerWaalsContact SG-CA 3.59Å; C306-C315 WeakPolarHBondContact SG-CB 3.44Å; C306-C315 CovalentContact SG-SG 2.01Å; C306-C315 PolarHBondContact SG-SG 2.61Å
307	S	86.4	Confident	92.7	Very high	72 Å²	72	66.5 Å²	66.5	50%	0.503	35%	0.352	S	S	.	.			trans	-92.6	-30.3	179.8	56.3	0	0	0	0	113.9	F305 D322	F305-S307 PolarHBondContact O-N 2.79Å; S307-D322 WeakPolarHBondContact OG-CB 3.39Å; S307-D322 PolarHBondContact OG-OD2 2.58Å
308	N	87.1	Confident	92.9	Very high	47 Å²	47	60.9 Å²	60.9	25%	0.251	32%	0.324	S	S	.	.			trans	-119.1	96.2	-173.1	-168.7	-30.5	0	0	0	113	K310 T311 T312	N308-K310 VanDerWaalsContact C-N 3.3Å; N308-K310 PolarHBondContact O-N 3.41Å; N308-K310 PolarHBondContact OD1-N 2.63Å; N308-K310 VanDerWaalsContact OD1-N 3.11Å; N308-T311 PolarHBondContact ND2-OG1 3.46Å; N308-T311 VanDerWaalsContact ND2-OG1 3.16Å; N308-T311 PolarHBondContact OD1-N 3.4Å; N308-T311 VanDerWaalsContact OD1-N 3.08Å; N308-T311 PolarHBondContact OD1-OG1 3.35Å; N308-T312 WeakPolarHBondContact O-CB 3.14Å; N308-T312 WeakPolarHBondContact O-CG2 3.37Å; N308-T312 PolarHBondContact O-N 2.88Å; N308-T312 VanDerWaalsContact O-N 3.12Å; N308-T312 PolarHBondContact O-OG1 3.33Å
309	M	89.5	Confident	92.9	Very high	102 Å²	102	55 Å²	55	50%	0.502	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.3	-179.5	-65.4	-74.5	171.2	0	0	113.7	K313 N314 C315	M309-K313 PolarHBondContact O-N 3.12Å; M309-N314 PolarHBondContact O-N 2.66Å; M309-C315 WeakPolarHBondContact CE-SG 3.39Å; M309-C315 PolarHBondContact SD-SG 2.91Å
310	K	89.5	Confident	92.9	Very high	143 Å²	143	54.4 Å²	54.4	62%	0.622	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-55	-178.4	-69.7	-178	-179.8	177.5	0	110.8	N308 T312 K313	N308-K310 VanDerWaalsContact C-N 3.3Å; N308-K310 PolarHBondContact O-N 3.41Å; N308-K310 PolarHBondContact OD1-N 2.63Å; N308-K310 VanDerWaalsContact OD1-N 3.11Å; K310-T312 VanDerWaalsContact C-N 3.32Å; K310-T312 PolarHBondContact O-N 2.88Å; K310-K313 PolarHBondContact O-N 3.39Å
311	T	90	Very high	93	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.043	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-39.1	-178.9	-54.4	0	0	0	0	111.8	N308 K313 Y333 M385 I403	N308-T311 PolarHBondContact ND2-OG1 3.46Å; N308-T311 VanDerWaalsContact ND2-OG1 3.16Å; N308-T311 PolarHBondContact OD1-N 3.4Å; N308-T311 VanDerWaalsContact OD1-N 3.08Å; N308-T311 PolarHBondContact OD1-OG1 3.35Å; T311-K313 VanDerWaalsContact C-N 3.31Å; T311-K313 PolarHBondContact O-N 3.16Å; T311-Y333 HydrophobicContact CG2-CE1 4.38Å; T311-Y333 HydrophobicContact CG2-CE2 4.42Å; T311-M385 HydrophobicContact CG2-CG 3.76Å; T311-I403 HydrophobicContact CG2-CD1 4.13Å; T311-I403 HydrophobicContact CG2-CG1 4.08Å
312	T	88.4	Confident	93.1	Very high	11 Å²	11	46.3 Å²	46.3	7%	0.067	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	10.3	-175.8	65.1	0	0	0	0	114.1	C306 N308 K310 N314 C315 T316 L317	C306-T312 PolarHBondContact SG-OG1 3.11Å; C306-T312 VanDerWaalsContact SG-OG1 3.36Å; N308-T312 WeakPolarHBondContact O-CB 3.14Å; N308-T312 WeakPolarHBondContact O-CG2 3.37Å; N308-T312 PolarHBondContact O-N 2.88Å; N308-T312 VanDerWaalsContact O-N 3.12Å; N308-T312 PolarHBondContact O-OG1 3.33Å; K310-T312 VanDerWaalsContact C-N 3.32Å; K310-T312 PolarHBondContact O-N 2.88Å; T312-N314 PolarHBondContact O-N 3.08Å; T312-C315 PolarHBondContact O-N 3.41Å; T312-C315 VanDerWaalsContact O-N 3.16Å; T312-C315 WeakPolarHBondContact OG1-CA 3.27Å; T312-C315 PolarHBondContact OG1-N 3.14Å; T312-C315 VanDerWaalsContact OG1-N 3.15Å; T312-T316 PolarHBondContact O-N 3Å; T312-L317 WeakPolarHBondContact O-CB 3.03Å; T312-L317 PolarHBondContact O-N 3.17Å; T312-L317 VanDerWaalsContact O-N 3.14Å
313	K	91.5	Very high	93.1	Very high	87 Å²	87	46 Å²	46	38%	0.378	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	52.8	178.9	-59.9	178.9	178.9	175.8	0	112.3	M309 K310 T311 T316 D400	M309-K313 PolarHBondContact O-N 3.12Å; K310-K313 PolarHBondContact O-N 3.39Å; T311-K313 VanDerWaalsContact C-N 3.31Å; T311-K313 PolarHBondContact O-N 3.16Å; K313-T316 WeakPolarHBondContact O-CG2 2.99Å; K313-T316 PolarHBondContact O-OG1 3.17Å; K313-D400 IonicContact NZ-OD2 2.63Å
314	N	92.8	Very high	93	Very high	124 Å²	124	39.7 Å²	39.7	66%	0.663	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	45.6	-171.8	-60.1	-34	0	0	0	112.8	M309 T312 T316	M309-N314 PolarHBondContact O-N 2.66Å; T312-N314 PolarHBondContact O-N 3.08Å; N314-T316 VanDerWaalsContact C-N 3.27Å; N314-T316 PolarHBondContact O-N 3.14Å
315	C	93.1	Very high	92.9	Very high	13 Å²	13	40.9 Å²	40.9	9%	0.088	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	32	-179.9	-46.3	0	0	0	0	114.4	P296 C306 M309 T312	P296-C315 VanDerWaalsContact CD-O 3.29Å; P296-C315 WeakPolarHBondContact CD-O 3.05Å; P296-C315 HydrophobicContact CG-CB 3.99Å; C306-C315 HydrophobicContact CB-CB 3.75Å; C306-C315 WeakPolarHBondContact CB-SG 3.27Å; C306-C315 VanDerWaalsContact SG-CA 3.59Å; C306-C315 WeakPolarHBondContact SG-CB 3.44Å; C306-C315 CovalentContact SG-SG 2.01Å; C306-C315 PolarHBondContact SG-SG 2.61Å; M309-C315 WeakPolarHBondContact CE-SG 3.39Å; M309-C315 PolarHBondContact SD-SG 2.91Å; T312-C315 PolarHBondContact O-N 3.41Å; T312-C315 VanDerWaalsContact O-N 3.16Å; T312-C315 WeakPolarHBondContact OG1-CA 3.27Å; T312-C315 PolarHBondContact OG1-N 3.14Å; T312-C315 VanDerWaalsContact OG1-N 3.15Å
316	T	94.7	Very high	92.8	Very high	62 Å²	62	41.5 Å²	41.5	38%	0.38	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-10	174	69.1	0	0	0	0	112.4	L297 T312 K313 N314	L297-T316 HydrophobicContact CD1-CG2 3.76Å; L297-T316 HydrophobicContact CG-CG2 4.45Å; T312-T316 PolarHBondContact O-N 3Å; K313-T316 WeakPolarHBondContact O-CG2 2.99Å; K313-T316 PolarHBondContact O-OG1 3.17Å; N314-T316 VanDerWaalsContact C-N 3.27Å; N314-T316 PolarHBondContact O-N 3.14Å
317	L	95.4	Very high	92.8	Very high	17 Å²	17	42.9 Å²	42.9	9%	0.089	24%	0.235	C	C	.	.			trans	-76.6	126.7	177.3	-163.5	69.7	0	0	0	110.4	T312 V320 S345 L346 I403	T312-L317 WeakPolarHBondContact O-CB 3.03Å; T312-L317 PolarHBondContact O-N 3.17Å; T312-L317 VanDerWaalsContact O-N 3.14Å; L317-V320 HydrophobicContact CD2-CG2 3.84Å; L317-V320 HydrophobicContact CG-CG2 4.11Å; L317-S345 WeakPolarHBondContact CD1-OG 3.33Å; L317-L346 HydrophobicContact CD1-CD2 4.33Å; L317-L346 HydrophobicContact CD1-CG 4.2Å; L317-L346 HydrophobicContact CD2-CD2 4.08Å; L317-L346 HydrophobicContact CG-CD2 4.46Å; L317-I403 HydrophobicContact CD2-CD1 3.67Å
318	A	96.7	Very high	92.8	Very high	10 Å²	10	47.2 Å²	47.2	8%	0.083	25%	0.247	C	C	.	.			trans	-107.8	157.6	179.7	0	0	0	0	0	111.6	G342 S343 L346	A318-G342 VanDerWaalsContact O-CA 3.26Å; A318-G342 WeakPolarHBondContact O-CA 3.45Å; A318-S343 PolarHBondContact N-OG 2.61Å; A318-S343 PolarHBondContact O-N 2.84Å; A318-L346 WeakPolarHBondContact O-CD1 3.28Å
319	G	95.9	Very high	92.9	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	81.6	12.4	173.7	0	0	0	0	0	115.4	L293 S335	L293-G319 WeakPolarHBondContact O-CA 3.3Å; L293-G319 PolarHBondContact O-N 3.1Å; G319-S335 WeakPolarHBondContact O-CB 3.12Å
320	V	96.6	Very high	93	Very high	19 Å²	19	46.4 Å²	46.4	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.1	176.5	-66.4	0	0	0	0	110.6	L317 Y333 I334 F339 L346 I403	L317-V320 HydrophobicContact CD2-CG2 3.84Å; L317-V320 HydrophobicContact CG-CG2 4.11Å; V320-Y333 HydrophobicContact CB-CD1 4.32Å; V320-Y333 HydrophobicContact CG2-CD1 4.46Å; V320-I334 CarbonylContact C-O 3.54Å; V320-I334 VanDerWaalsContact CA-O 3.31Å; V320-I334 WeakPolarHBondContact CA-O 3.32Å; V320-F339 HydrophobicContact CG1-CD1 4.05Å; V320-F339 HydrophobicContact CG1-CE1 4.01Å; V320-L346 HydrophobicContact CG1-CD1 3.74Å; V320-L346 HydrophobicContact CG1-CD2 4.03Å; V320-I403 HydrophobicContact CB-CD1 4.32Å; V320-I403 HydrophobicContact CG1-CD1 4.2Å; V320-I403 HydrophobicContact CG1-CG2 4.43Å; V320-I403 HydrophobicContact CG2-CD1 3.92Å
321	L	96.9	Very high	93.3	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.6	175.8	179.2	69.7	0	0	0	109	W231 R266 L293 F305 I323 Y333 I334	W231-L321 HydrophobicContact CH2-CD1 3.66Å; W231-L321 HydrophobicContact CH2-CG 4.14Å; W231-L321 HydrophobicContact CZ2-CD1 4.28Å; W231-L321 HydrophobicContact CZ3-CD1 4.36Å; R266-L321 HydrophobicContact CG-CD2 3.94Å; L293-L321 HydrophobicContact CD2-CB 4.16Å; F305-L321 HydrophobicContact CB-CD1 3.85Å; F305-L321 HydrophobicContact CD1-CD1 4.27Å; F305-L321 HydrophobicContact CG-CD1 4.25Å; L321-I323 HydrophobicContact CD2-CG2 3.83Å; L321-I323 HydrophobicContact CG-CG2 3.89Å; L321-I323 PolarHBondContact O-N 3.1Å; L321-Y333 CarbonylContact O-C 3.58Å; L321-Y333 VanDerWaalsContact O-CA 3.23Å; L321-Y333 WeakPolarHBondContact O-CA 3.32Å; L321-I334 HydrophobicContact CB-CB 4.37Å; L321-I334 PolarHBondContact N-O 3.09Å; L321-I334 PolarHBondContact O-N 2.76Å
322	D	96.3	Very high	93.7	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	116.1	172.7	-170.1	-30.8	0	0	0	109.4	W231 S307 S324 Y333	W231-D322 VanDerWaalsContact CH2-O 3.27Å; W231-D322 WeakPolarHBondContact CH2-O 3.23Å; S307-D322 WeakPolarHBondContact OG-CB 3.39Å; S307-D322 PolarHBondContact OG-OD2 2.58Å; D322-S324 WeakPolarHBondContact OD1-CB 3.43Å; D322-S324 PolarHBondContact OD1-N 3.24Å; D322-S324 PolarHBondContact OD1-OG 3.33Å; D322-Y333 HydrophobicContact CB-CD1 3.94Å; D322-Y333 HydrophobicContact CB-CE1 3.44Å; D322-Y333 VanDerWaalsContact CB-CE1 3.44Å; D322-Y333 VanDerWaalsContact OD2-CZ 3.25Å; D322-Y333 PolarHBondContact OD2-OH 3.35Å
323	I	96.1	Very high	94.1	Very high	3 Å²	3	40 Å²	40	2%	0.015	22%	0.22	C	C	.	.			trans	-110.6	20.7	179.5	64.4	157.9	0	0	0	112.3	L321 S325 C326 Q327 V332 I334	L321-I323 HydrophobicContact CD2-CG2 3.83Å; L321-I323 HydrophobicContact CG-CG2 3.89Å; L321-I323 PolarHBondContact O-N 3.1Å; I323-S325 PolarHBondContact O-N 3.32Å; I323-S325 VanDerWaalsContact O-N 3.15Å; I323-C326 PolarHBondContact O-N 3.18Å; I323-C326 PolarHBondContact O-SG 3.24Å; I323-Q327 HydrophobicContact CD1-CG 3.74Å; I323-Q327 HydrophobicContact CG1-CG 3.98Å; I323-Q327 WeakPolarHBondContact O-CB 3.47Å; I323-Q327 WeakPolarHBondContact O-CG 3.37Å; I323-Q327 PolarHBondContact O-N 3.43Å; I323-V332 HydrophobicContact CD1-CB 4.35Å; I323-V332 HydrophobicContact CD1-CG1 3.81Å; I323-V332 HydrophobicContact CG1-CB 3.98Å; I323-V332 HydrophobicContact CG1-CG1 3.85Å; I323-V332 WeakPolarHBondContact CG1-O 3.35Å; I323-V332 PolarHBondContact N-O 2.69Å; I323-I334 HydrophobicContact CD1-CD1 3.77Å; I323-I334 HydrophobicContact CD1-CG1 3.54Å; I323-I334 HydrophobicContact CG1-CD1 4.48Å; I323-I334 HydrophobicContact CG1-CG1 3.92Å; I323-I334 HydrophobicContact CG2-CB 4.46Å; I323-I334 HydrophobicContact CG2-CG1 3.86Å
324	S	93.8	Very high	94.4	Very high	26 Å²	26	36.4 Å²	36.4	18%	0.182	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-56.3	-31	-179.9	55.1	0	0	0	0	113.6	D322 C326 Q327 Q328 G329 R330	D322-S324 WeakPolarHBondContact OD1-CB 3.43Å; D322-S324 PolarHBondContact OD1-N 3.24Å; D322-S324 PolarHBondContact OD1-OG 3.33Å; S324-C326 VanDerWaalsContact C-N 3.34Å; S324-C326 PolarHBondContact O-N 3.22Å; S324-Q327 CarbonylContact O-C 3.55Å; S324-Q327 PolarHBondContact O-N 2.67Å; S324-Q327 VanDerWaalsContact O-N 3.12Å; S324-Q328 PolarHBondContact O-N 2.84Å; S324-G329 WeakPolarHBondContact O-CA 3.48Å; S324-G329 PolarHBondContact O-N 2.8Å; S324-R330 VanDerWaalsContact CA-O 3.26Å; S324-R330 WeakPolarHBondContact CA-O 3.24Å; S324-R330 WeakPolarHBondContact CB-O 3.42Å
325	S	92.6	Very high	94.7	Very high	59 Å²	59	30.6 Å²	30.6	41%	0.413	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-61.6	-36.4	178.7	54.5	0	0	0	0	113.4	F230 I323	F230-S325 WeakPolarHBondContact O-CB 3.34Å; F230-S325 PolarHBondContact O-OG 3.31Å; I323-S325 PolarHBondContact O-N 3.32Å; I323-S325 VanDerWaalsContact O-N 3.15Å
326	C	93.1	Very high	94.9	Very high	27 Å²	27	30.7 Å²	30.7	18%	0.182	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-95.4	-2.7	174.9	69.4	0	0	0	0	113.4	F230 C265 I323 S324	F230-C326 HydrophobicContact CD1-CB 3.78Å; F230-C326 HydrophobicContact CD2-CB 3.96Å; F230-C326 HydrophobicContact CE1-CB 3.6Å; F230-C326 HydrophobicContact CE2-CB 3.78Å; F230-C326 HydrophobicContact CG-CB 3.98Å; F230-C326 HydrophobicContact CZ-CB 3.6Å; C265-C326 HydrophobicContact CB-CB 3.61Å; C265-C326 WeakPolarHBondContact CB-SG 3.16Å; C265-C326 WeakPolarHBondContact SG-CB 3.42Å; C265-C326 CovalentContact SG-SG 2Å; C265-C326 PolarHBondContact SG-SG 3.28Å; I323-C326 PolarHBondContact O-N 3.18Å; I323-C326 PolarHBondContact O-SG 3.24Å; S324-C326 VanDerWaalsContact C-N 3.34Å; S324-C326 PolarHBondContact O-N 3.22Å
327	Q	92.3	Very high	95.1	Very high	56 Å²	56	27.8 Å²	27.8	26%	0.262	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	29.7	180	-66.4	-61.1	-33.4	0	0	112.6	I323 S324 G329 R330 V332	I323-Q327 HydrophobicContact CD1-CG 3.74Å; I323-Q327 HydrophobicContact CG1-CG 3.98Å; I323-Q327 WeakPolarHBondContact O-CB 3.47Å; I323-Q327 WeakPolarHBondContact O-CG 3.37Å; I323-Q327 PolarHBondContact O-N 3.43Å; S324-Q327 CarbonylContact O-C 3.55Å; S324-Q327 PolarHBondContact O-N 2.67Å; S324-Q327 VanDerWaalsContact O-N 3.12Å; Q327-G329 PolarHBondContact O-N 3.21Å; Q327-R330 HydrophobicContact CB-CB 4.31Å; Q327-R330 WeakPolarHBondContact O-CB 3.42Å; Q327-R330 WeakPolarHBondContact O-CG 3.39Å; Q327-R330 PolarHBondContact O-N 3.06Å; Q327-R330 PolarHBondContact O-NE 2.86Å; Q327-R330 PolarHBondContact O-NH2 3.01Å; Q327-V332 HydrophobicContact CB-CB 4.5Å; Q327-V332 HydrophobicContact CB-CG2 4.32Å; Q327-V332 HydrophobicContact CG-CB 4.2Å; Q327-V332 HydrophobicContact CG-CG2 4.31Å
328	Q	87.5	Confident	95.2	Very high	163 Å²	163	27.5 Å²	27.5	76%	0.762	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	37	177.6	-58.6	167.9	-26.6	0	0	112.8	S324 R330	S324-Q328 PolarHBondContact O-N 2.84Å; Q328-R330 VanDerWaalsContact C-N 3.29Å; Q328-R330 PolarHBondContact O-N 2.93Å
329	G	88.6	Confident	95.3	Very high	41 Å²	41	27 Å²	27	42%	0.423	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-0.2	-179.9	0	0	0	0	0	115.2	S324 Q327	S324-G329 WeakPolarHBondContact O-CA 3.48Å; S324-G329 PolarHBondContact O-N 2.8Å; Q327-G329 PolarHBondContact O-N 3.21Å
330	R	92.1	Very high	95.4	Very high	91 Å²	91	27.5 Å²	27.5	34%	0.343	15%	0.152	S	C	.	.			trans	-64.7	139.9	174.1	-66.8	-178	-68.4	-86.9	-0.5	110.1	S324 Q327 Q328 V332	S324-R330 VanDerWaalsContact CA-O 3.26Å; S324-R330 WeakPolarHBondContact CA-O 3.24Å; S324-R330 WeakPolarHBondContact CB-O 3.42Å; Q327-R330 HydrophobicContact CB-CB 4.31Å; Q327-R330 WeakPolarHBondContact O-CB 3.42Å; Q327-R330 WeakPolarHBondContact O-CG 3.39Å; Q327-R330 PolarHBondContact O-N 3.06Å; Q327-R330 PolarHBondContact O-NE 2.86Å; Q327-R330 PolarHBondContact O-NH2 3.01Å; Q328-R330 VanDerWaalsContact C-N 3.29Å; Q328-R330 PolarHBondContact O-N 2.93Å; R330-V332 HydrophobicContact CB-CG2 4.04Å; R330-V332 PolarHBondContact O-N 2.94Å
331	P	95.4	Very high	95.4	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.039	16%	0.162	C	C	.	.			trans	-79.1	55.4	-172.6	36.4	-41.2	0	0	0	112.4	S147 Y333 M384 M385	S147-P331 WeakPolarHBondContact OG-CB 3.37Å; S147-P331 WeakPolarHBondContact OG-CG 3.28Å; P331-Y333 WeakPolarHBondContact O-CD2 3.46Å; P331-M384 HydrophobicContact CG-CE 3.68Å; P331-M384 HydrophobicContact CG-CG 3.98Å; P331-M384 WeakPolarHBondContact O-CA 3.27Å; P331-M385 HydrophobicContact CB-CB 4.21Å; P331-M385 HydrophobicContact CB-CE 4.09Å; P331-M385 PolarHBondContact O-N 2.89Å
332	V	97.1	Very high	95.4	Very high	19 Å²	19	29.9 Å²	29.9	12%	0.115	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.4	-177.2	-176.9	0	0	0	0	109.9	I323 Q327 R330 V382 N383	I323-V332 HydrophobicContact CD1-CB 4.35Å; I323-V332 HydrophobicContact CD1-CG1 3.81Å; I323-V332 HydrophobicContact CG1-CB 3.98Å; I323-V332 HydrophobicContact CG1-CG1 3.85Å; I323-V332 WeakPolarHBondContact CG1-O 3.35Å; I323-V332 PolarHBondContact N-O 2.69Å; Q327-V332 HydrophobicContact CB-CB 4.5Å; Q327-V332 HydrophobicContact CB-CG2 4.32Å; Q327-V332 HydrophobicContact CG-CB 4.2Å; Q327-V332 HydrophobicContact CG-CG2 4.31Å; R330-V332 HydrophobicContact CB-CG2 4.04Å; R330-V332 PolarHBondContact O-N 2.94Å; V332-V382 HydrophobicContact CG1-CG1 4.02Å; V332-N383 WeakPolarHBondContact CA-O 3.15Å
333	Y	97.8	Very high	95.4	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.8	177.3	-71.8	-102.7	0	0	0	110.3	T311 V320 L321 D322 P331 N383 M385 I403	T311-Y333 HydrophobicContact CG2-CE1 4.38Å; T311-Y333 HydrophobicContact CG2-CE2 4.42Å; V320-Y333 HydrophobicContact CB-CD1 4.32Å; V320-Y333 HydrophobicContact CG2-CD1 4.46Å; L321-Y333 CarbonylContact O-C 3.58Å; L321-Y333 VanDerWaalsContact O-CA 3.23Å; L321-Y333 WeakPolarHBondContact O-CA 3.32Å; D322-Y333 HydrophobicContact CB-CD1 3.94Å; D322-Y333 HydrophobicContact CB-CE1 3.44Å; D322-Y333 VanDerWaalsContact CB-CE1 3.44Å; D322-Y333 VanDerWaalsContact OD2-CZ 3.25Å; D322-Y333 PolarHBondContact OD2-OH 3.35Å; P331-Y333 WeakPolarHBondContact O-CD2 3.46Å; Y333-N383 PolarHBondContact N-O 2.98Å; Y333-N383 WeakPolarHBondContact O-CA 3.26Å; Y333-N383 WeakPolarHBondContact O-CB 3.29Å; Y333-N383 PolarHBondContact O-N 3.44Å; Y333-N383 PolarHBondContact O-ND2 2.87Å; Y333-M385 HydrophobicContact CD2-CB 3.93Å; Y333-M385 HydrophobicContact CE2-CB 3.58Å; Y333-M385 HydrophobicContact CE2-CG 4.39Å; Y333-I403 HydrophobicContact CD1-CD1 3.91Å; Y333-I403 HydrophobicContact CE1-CD1 4.13Å; Y333-I403 HydrophobicContact CG-CD1 4.2Å; Y333-I403 HydrophobicContact CG-CG2 4.21Å
334	I	97.9	Very high	95.4	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.062	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.3	175	-63.9	-52.5	0	0	0	109.4	I264 V320 L321 I323 I380 Q381 V382	I264-I334 HydrophobicContact CB-CG2 4.29Å; I264-I334 HydrophobicContact CG2-CG1 4.33Å; I264-I334 HydrophobicContact CG2-CG2 3.61Å; V320-I334 CarbonylContact C-O 3.54Å; V320-I334 VanDerWaalsContact CA-O 3.31Å; V320-I334 WeakPolarHBondContact CA-O 3.32Å; L321-I334 HydrophobicContact CB-CB 4.37Å; L321-I334 PolarHBondContact N-O 3.09Å; L321-I334 PolarHBondContact O-N 2.76Å; I323-I334 HydrophobicContact CD1-CD1 3.77Å; I323-I334 HydrophobicContact CD1-CG1 3.54Å; I323-I334 HydrophobicContact CG1-CD1 4.48Å; I323-I334 HydrophobicContact CG1-CG1 3.92Å; I323-I334 HydrophobicContact CG2-CB 4.46Å; I323-I334 HydrophobicContact CG2-CG1 3.86Å; I334-I380 HydrophobicContact CD1-CG2 4.24Å; I334-I380 HydrophobicContact CG2-CG2 3.68Å; I334-Q381 WeakPolarHBondContact CA-O 3.17Å; I334-V382 HydrophobicContact CD1-CG2 4.28Å
335	S	98.1	Very high	95.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	177.6	171.4	60.5	0	0	0	0	111.1	G319 F339 Q381 N383	G319-S335 WeakPolarHBondContact O-CB 3.12Å; S335-F339 WeakPolarHBondContact OG-CD1 3.37Å; S335-F339 WeakPolarHBondContact OG-CE1 3.34Å; S335-Q381 PolarHBondContact N-O 2.84Å; S335-Q381 PolarHBondContact O-N 2.92Å; S335-Q381 WeakPolarHBondContact OG-CB 3.46Å; S335-Q381 PolarHBondContact OG-NE2 3.42Å; S335-N383 PolarHBondContact OG-ND2 2.82Å
336	L	98.1	Very high	95.7	Very high	16 Å²	16	32.1 Å²	32.1	8%	0.084	18%	0.178	C	C	.	.	S	Bend	trans	-77.7	155.4	160.3	-64.2	177.4	0	0	0	110.1	L293 H338 F339 L340	L293-L336 HydrophobicContact CD1-CG 4.28Å; L336-H338 PolarHBondContact O-N 2.84Å; L336-F339 WeakPolarHBondContact O-CA 3.18Å; L336-F339 PolarHBondContact O-N 2.98Å; L336-L340 HydrophobicContact CB-CB 3.85Å; L336-L340 HydrophobicContact CD1-CB 4.34Å; L336-L340 HydrophobicContact CD1-CD2 4.18Å; L336-L340 HydrophobicContact CD1-CG 4.36Å
337	P	98.6	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-53.8	138.9	-179.5	-22.4	29.6	0	0	0	113.6	F339 L340 H360 R379 W408	P337-F339 PolarHBondContact O-N 2.67Å; P337-F339 VanDerWaalsContact O-N 3.15Å; P337-L340 PolarHBondContact O-N 3.1Å; P337-L340 VanDerWaalsContact O-N 3.08Å; P337-H360 HydrophobicContact CB-CB 3.78Å; P337-H360 WeakPolarHBondContact CD-O 2.98Å; P337-H360 HydrophobicContact CG-CB 4.02Å; P337-H360 PolarHBondContact O-ND1 3.4Å; P337-R379 HydrophobicContact CG-CB 3.96Å; P337-W408 HydrophobicContact CB-CB 4Å; P337-W408 HydrophobicContact CB-CD2 3.73Å; P337-W408 HydrophobicContact CB-CE3 3.93Å; P337-W408 HydrophobicContact CB-CG 3.77Å; P337-W408 HydrophobicContact CG-CB 4.11Å; P337-W408 HydrophobicContact CG-CD2 3.91Å; P337-W408 HydrophobicContact CG-CE3 3.6Å; P337-W408 HydrophobicContact CG-CG 4.15Å; P337-W408 HydrophobicContact CG-CZ3 4.29Å
338	H	98.5	Very high	96.1	Very high	11 Å²	11	36.7 Å²	36.7	5%	0.051	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	53.9	25.6	-173.4	-65.5	-101.7	0	0	0	114.5	F69 E88 L336 L340 L353 S354 P355 H360 W408	F69-H338 AromaticContact CE1-CE1 3.59Å; F69-H338 AromaticContact CE1-NE2 3.89Å; F69-H338 AromaticContact CZ-CE1 3.97Å; F69-H338 AromaticContact CZ-NE2 3.88Å; E88-H338 IonicContact OE2-CE1 2.82Å; E88-H338 IonicContact OE2-NE2 3.32Å; E88-H338 PolarHBondContact OE2-NE2 2.86Å; L336-H338 PolarHBondContact O-N 2.84Å; H338-L340 VanDerWaalsContact C-N 3.32Å; H338-L340 PolarHBondContact O-N 2.98Å; H338-L353 HydrophobicContact CB-CB 4.34Å; H338-L353 WeakPolarHBondContact ND1-CA 3.46Å; H338-S354 PolarHBondContact ND1-N 3.49Å; H338-P355 HydrophobicContact CB-CB 4.1Å; H338-H360 AromaticContact CD2-CE1 3.15Å; H338-H360 PolarHBondContact CD2-CE1 3.15Å; H338-H360 AromaticContact CD2-ND1 3.84Å; H338-H360 AromaticContact CD2-NE2 3.52Å; H338-H360 AromaticContact CG-CE1 3.66Å; H338-H360 AromaticContact NE2-CE1 3.94Å; H338-W408 AromaticContact NE2-NE1 3.82Å
339	F	98.4	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	55.8	43.7	-172.9	-54.4	-67.7	0	0	0	112.6	V320 S335 L336 P337 H341 G342 L346 L353 N383 I403 P405	V320-F339 HydrophobicContact CG1-CD1 4.05Å; V320-F339 HydrophobicContact CG1-CE1 4.01Å; S335-F339 WeakPolarHBondContact OG-CD1 3.37Å; S335-F339 WeakPolarHBondContact OG-CE1 3.34Å; L336-F339 WeakPolarHBondContact O-CA 3.18Å; L336-F339 PolarHBondContact O-N 2.98Å; P337-F339 PolarHBondContact O-N 2.67Å; P337-F339 VanDerWaalsContact O-N 3.15Å; F339-H341 PolarHBondContact O-N 3.5Å; F339-G342 WeakPolarHBondContact O-CA 3.3Å; F339-G342 PolarHBondContact O-N 2.89Å; F339-L346 HydrophobicContact CB-CB 4.1Å; F339-L346 HydrophobicContact CB-CD1 4.1Å; F339-L346 HydrophobicContact CD1-CB 4.22Å; F339-L346 HydrophobicContact CD1-CD1 3.86Å; F339-L346 HydrophobicContact CD1-CD2 4.47Å; F339-L346 HydrophobicContact CD1-CG 4.42Å; F339-L346 HydrophobicContact CD2-CB 3.71Å; F339-L346 HydrophobicContact CE1-CD1 4.49Å; F339-L346 HydrophobicContact CE1-CD2 4.33Å; F339-L346 HydrophobicContact CE2-CB 4.15Å; F339-L346 HydrophobicContact CG-CB 3.77Å; F339-L346 HydrophobicContact CG-CD1 4.03Å; F339-L346 HydrophobicContact CG-CG 4.41Å; F339-L353 HydrophobicContact CD2-CD1 3.43Å; F339-L353 VanDerWaalsContact CD2-CD1 3.43Å; F339-L353 HydrophobicContact CE2-CD1 3.48Å; F339-L353 VanDerWaalsContact CE2-CD1 3.48Å; F339-N383 VanDerWaalsContact CE1-OD1 3.23Å; F339-N383 WeakPolarHBondContact CE1-OD1 3.22Å; F339-N383 WeakPolarHBondContact CZ-OD1 3.45Å; F339-I403 HydrophobicContact CE1-CG2 4.23Å; F339-I403 HydrophobicContact CZ-CG2 4.3Å; F339-P405 HydrophobicContact CE2-CB 4.3Å; F339-P405 HydrophobicContact CE2-CG 4.31Å; F339-P405 HydrophobicContact CZ-CB 4.21Å
340	L	98	Very high	97	Very high	11 Å²	11	29 Å²	29	6%	0.058	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	132.6	169	-179.6	68.8	0	0	0	109.7	L336 P337 H338 G342 P355 E357 H360 K361	L336-L340 HydrophobicContact CB-CB 3.85Å; L336-L340 HydrophobicContact CD1-CB 4.34Å; L336-L340 HydrophobicContact CD1-CD2 4.18Å; L336-L340 HydrophobicContact CD1-CG 4.36Å; P337-L340 PolarHBondContact O-N 3.1Å; P337-L340 VanDerWaalsContact O-N 3.08Å; H338-L340 VanDerWaalsContact C-N 3.32Å; H338-L340 PolarHBondContact O-N 2.98Å; L340-G342 PolarHBondContact O-N 2.88Å; L340-G342 VanDerWaalsContact O-N 3.16Å; L340-P355 HydrophobicContact CB-CB 4.15Å; L340-P355 HydrophobicContact CD1-CB 4.06Å; L340-E357 HydrophobicContact CD1-CG 4.42Å; L340-H360 HydrophobicContact CB-CB 4.24Å; L340-H360 HydrophobicContact CD2-CB 3.93Å; L340-K361 HydrophobicContact CD2-CB 4.45Å
341	H	96.3	Very high	97.3	Very high	68 Å²	68	28.5 Å²	28.5	32%	0.315	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	6.5	-170.9	-52.1	-53	0	0	0	116.6	P290 F339 E357	P290-H341 HydrophobicContact CB-CB 4.47Å; F339-H341 PolarHBondContact O-N 3.5Å; H341-E357 IonicContact CE1-OE1 2.98Å; H341-E357 PolarHBondContact CE1-OE1 2.62Å; H341-E357 IonicContact ND1-OE1 3.81Å; H341-E357 IonicContact NE2-OE1 3.56Å; H341-E357 PolarHBondContact NE2-OE1 3.24Å
342	G	96.7	Very high	97.4	Very high	8 Å²	8	30.7 Å²	30.7	8%	0.082	18%	0.181	C	C	.	.			trans	-80.2	157.6	177.4	0	0	0	0	0	114.4	A318 F339 L340	A318-G342 VanDerWaalsContact O-CA 3.26Å; A318-G342 WeakPolarHBondContact O-CA 3.45Å; F339-G342 WeakPolarHBondContact O-CA 3.3Å; F339-G342 PolarHBondContact O-N 2.89Å; L340-G342 PolarHBondContact O-N 2.88Å; L340-G342 VanDerWaalsContact O-N 3.16Å
343	S	97.1	Very high	97.5	Very high	22 Å²	22	30.9 Å²	30.9	15%	0.154	18%	0.181	C	C	.	.			trans	-54.6	144.4	175.1	-65.8	0	0	0	0	111.5	A318 S345 L346	A318-S343 PolarHBondContact N-OG 2.61Å; A318-S343 PolarHBondContact O-N 2.84Å; S343-S345 PolarHBondContact O-N 3.36Å; S343-S345 VanDerWaalsContact O-N 3.08Å; S343-L346 WeakPolarHBondContact O-CB 3.19Å; S343-L346 PolarHBondContact O-N 2.86Å; S343-L346 VanDerWaalsContact O-N 3.11Å
344	P	96.5	Very high	97.4	Very high	93 Å²	93	33.7 Å²	33.7	60%	0.604	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.7	-179	-28.1	35.5	0	0	0	114.3	L346 R347 T348	P344-L346 PolarHBondContact O-N 3.28Å; P344-R347 PolarHBondContact O-N 2.87Å; P344-T348 PolarHBondContact O-N 2.9Å
345	S	95.6	Very high	97.4	Very high	26 Å²	26	34.7 Å²	34.7	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-36.7	-179.6	59.3	0	0	0	0	112.9	L317 S343 R347 T348 D349	L317-S345 WeakPolarHBondContact CD1-OG 3.33Å; S343-S345 PolarHBondContact O-N 3.36Å; S343-S345 VanDerWaalsContact O-N 3.08Å; S345-R347 PolarHBondContact O-N 2.78Å; S345-T348 VanDerWaalsContact CA-OG1 3.29Å; S345-T348 WeakPolarHBondContact CA-OG1 3.43Å; S345-T348 PolarHBondContact O-N 3.29Å; S345-T348 PolarHBondContact O-OG1 2.9Å; S345-D349 VanDerWaalsContact O-CB 3.3Å; S345-D349 WeakPolarHBondContact O-CB 3.43Å; S345-D349 PolarHBondContact O-N 2.81Å; S345-D349 VanDerWaalsContact O-OD2 3.06Å
346	L	97	Very high	97.3	Very high	3 Å²	3	39 Å²	39	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-57.3	-29.4	178.8	-64.7	168.3	0	0	0	113	L317 A318 V320 F339 S343 P344 I403	L317-L346 HydrophobicContact CD1-CD2 4.33Å; L317-L346 HydrophobicContact CD1-CG 4.2Å; L317-L346 HydrophobicContact CD2-CD2 4.08Å; L317-L346 HydrophobicContact CG-CD2 4.46Å; A318-L346 WeakPolarHBondContact O-CD1 3.28Å; V320-L346 HydrophobicContact CG1-CD1 3.74Å; V320-L346 HydrophobicContact CG1-CD2 4.03Å; F339-L346 HydrophobicContact CB-CB 4.1Å; F339-L346 HydrophobicContact CB-CD1 4.1Å; F339-L346 HydrophobicContact CD1-CB 4.22Å; F339-L346 HydrophobicContact CD1-CD1 3.86Å; F339-L346 HydrophobicContact CD1-CD2 4.47Å; F339-L346 HydrophobicContact CD1-CG 4.42Å; F339-L346 HydrophobicContact CD2-CB 3.71Å; F339-L346 HydrophobicContact CE1-CD1 4.49Å; F339-L346 HydrophobicContact CE1-CD2 4.33Å; F339-L346 HydrophobicContact CE2-CB 4.15Å; F339-L346 HydrophobicContact CG-CB 3.77Å; F339-L346 HydrophobicContact CG-CD1 4.03Å; F339-L346 HydrophobicContact CG-CG 4.41Å; S343-L346 WeakPolarHBondContact O-CB 3.19Å; S343-L346 PolarHBondContact O-N 2.86Å; S343-L346 VanDerWaalsContact O-N 3.11Å; P344-L346 PolarHBondContact O-N 3.28Å; L346-I403 HydrophobicContact CD2-CB 4.13Å; L346-I403 HydrophobicContact CD2-CD1 4.1Å
347	R	96.9	Very high	97.2	Very high	96 Å²	96	42.8 Å²	42.8	36%	0.362	25%	0.245	S	C	.	.	H	α-helix	trans	-96.3	-15.3	179.4	-67	177.6	-75.1	162.2	-6.9	113.5	P344 S345 V350 L353	P344-R347 PolarHBondContact O-N 2.87Å; S345-R347 PolarHBondContact O-N 2.78Å; R347-V350 CarbonylContact C-O 3.38Å; R347-L353 HydrophobicContact CG-CB 4.3Å; R347-L353 HydrophobicContact CG-CD1 4.45Å
348	T	96.8	Very high	96.9	Very high	83 Å²	83	50 Å²	50	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-88.6	-25.1	170.5	59.5	0	0	0	0	112.1	T83 P344 S345 V350	T83-T348 WeakPolarHBondContact CG2-O 3.48Å; P344-T348 PolarHBondContact O-N 2.9Å; S345-T348 VanDerWaalsContact CA-OG1 3.29Å; S345-T348 WeakPolarHBondContact CA-OG1 3.43Å; S345-T348 PolarHBondContact O-N 3.29Å; S345-T348 PolarHBondContact O-OG1 2.9Å; T348-V350 VanDerWaalsContact C-N 3.35Å
349	D	96.3	Very high	96.7	Very high	43 Å²	43	54.6 Å²	54.6	23%	0.23	30%	0.3	C	S	.	.	S	Bend	trans	-80.3	-20.8	179.3	-59.4	-16.9	0	0	0	111.4	T83 P84 S345 T402	T83-D349 WeakPolarHBondContact CG2-O 3.47Å; P84-D349 WeakPolarHBondContact CD-O 3.37Å; S345-D349 VanDerWaalsContact O-CB 3.3Å; S345-D349 WeakPolarHBondContact O-CB 3.43Å; S345-D349 PolarHBondContact O-N 2.81Å; S345-D349 VanDerWaalsContact O-OD2 3.06Å; D349-T402 HydrophobicContact CB-CG2 4.47Å
350	V	98.1	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-140.2	115.5	171.1	-176.3	0	0	0	0	109.5	P84 V86 R347 T348 L353 T402 F404 P405	P84-V350 HydrophobicContact CB-CG1 4.48Å; P84-V350 HydrophobicContact CG-CG2 4.48Å; V86-V350 HydrophobicContact CB-CG1 4.47Å; V86-V350 HydrophobicContact CG1-CG1 3.82Å; V86-V350 HydrophobicContact CG2-CG1 3.85Å; R347-V350 CarbonylContact C-O 3.38Å; T348-V350 VanDerWaalsContact C-N 3.35Å; V350-L353 HydrophobicContact CB-CD1 4.27Å; V350-L353 HydrophobicContact CG1-CD1 4.46Å; V350-T402 HydrophobicContact CG2-CG2 3.8Å; V350-F404 HydrophobicContact CG1-CE2 4.35Å; V350-F404 HydrophobicContact CG2-CD2 4.01Å; V350-P405 HydrophobicContact CG1-CG 4.09Å
351	L	98.3	Very high	96.5	Very high	79 Å²	79	56.3 Å²	56.3	41%	0.414	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-84.6	153.5	-177.7	-57.7	179.7	0	0	0	111.7	T83 P84 V85 V86	T83-L351 HydrophobicContact CG2-CD1 4.29Å; T83-L351 HydrophobicContact CG2-CD2 4.48Å; T83-L351 HydrophobicContact CG2-CG 3.84Å; P84-L351 PolarHBondContact O-N 2.81Å; V85-L351 WeakPolarHBondContact CA-O 3.36Å; V85-L351 HydrophobicContact CG1-CB 4.5Å; V85-L351 HydrophobicContact CG2-CB 4.12Å; V85-L351 HydrophobicContact CG2-CD1 4.2Å; V86-L351 WeakPolarHBondContact CG2-O 3.25Å; V86-L351 PolarHBondContact N-O 3.39Å
352	G	97.6	Very high	96.5	Very high	53 Å²	53	53.7 Å²	53.7	55%	0.546	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	2.8	-179.7	0	0	0	0	0	114.6
353	L	98.3	Very high	96.5	Very high	22 Å²	22	54.2 Å²	54.2	12%	0.115	30%	0.296	C	S	.	.			trans	-89.6	131.3	178.4	-55.8	177.7	0	0	0	112	F69 V86 H338 F339 R347 V350 P405	F69-L353 HydrophobicContact CD1-CD2 3.96Å; F69-L353 HydrophobicContact CE1-CD2 3.5Å; F69-L353 HydrophobicContact CZ-CD2 3.96Å; V86-L353 HydrophobicContact CG2-CD2 3.82Å; V86-L353 HydrophobicContact CG2-CG 4.41Å; H338-L353 HydrophobicContact CB-CB 4.34Å; H338-L353 WeakPolarHBondContact ND1-CA 3.46Å; F339-L353 HydrophobicContact CD2-CD1 3.43Å; F339-L353 VanDerWaalsContact CD2-CD1 3.43Å; F339-L353 HydrophobicContact CE2-CD1 3.48Å; F339-L353 VanDerWaalsContact CE2-CD1 3.48Å; R347-L353 HydrophobicContact CG-CB 4.3Å; R347-L353 HydrophobicContact CG-CD1 4.45Å; V350-L353 HydrophobicContact CB-CD1 4.27Å; V350-L353 HydrophobicContact CG1-CD1 4.46Å; L353-P405 HydrophobicContact CD1-CG 4.28Å; L353-P405 HydrophobicContact CD2-CG 4.14Å
354	S	97.2	Very high	96.5	Very high	61 Å²	61	53.8 Å²	53.8	43%	0.427	29%	0.292	S	S	.	.			trans	-131.6	91.6	179.4	-170.5	0	0	0	0	111.1	H338 H356 H360	H338-S354 PolarHBondContact ND1-N 3.49Å; S354-H356 PolarHBondContact O-CD2 3.19Å; S354-H356 PolarHBondContact OG-NE2 2.93Å; S354-H360 PolarHBondContact O-CE1 3.11Å; S354-H360 VanDerWaalsContact O-CE1 3.24Å
355	P	97.3	Very high	96.6	Very high	32 Å²	32	49.3 Å²	49.3	21%	0.208	26%	0.263	C	S	.	.			trans	-72	132.3	179.9	28.6	-34.3	0	0	0	112.4	H338 L340	H338-P355 HydrophobicContact CB-CB 4.1Å; L340-P355 HydrophobicContact CB-CB 4.15Å; L340-P355 HydrophobicContact CD1-CB 4.06Å
356	H	96.6	Very high	96.6	Very high	92 Å²	92	48.1 Å²	48.1	43%	0.426	25%	0.254	S	S	.	.			trans	-130.4	126.5	176.1	-66.3	-75.4	0	0	0	110.5	S354 E358 H359 H360	S354-H356 PolarHBondContact O-CD2 3.19Å; S354-H356 PolarHBondContact OG-NE2 2.93Å; H356-E358 PolarHBondContact O-N 2.88Å; H356-H359 HydrophobicContact CB-CB 4.18Å; H356-H359 PolarHBondContact O-N 2.82Å; H356-H360 PolarHBondContact N-ND1 3.17Å; H356-H360 VanDerWaalsContact N-ND1 3.11Å; H356-H360 VanDerWaalsContact O-CB 3.25Å; H356-H360 WeakPolarHBondContact O-CB 3.31Å; H356-H360 PolarHBondContact O-N 2.63Å
357	E	94.3	Very high	96.5	Very high	95 Å²	95	48.7 Å²	48.7	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-52.8	-53.2	179.7	-80.3	-68.1	171.2	0	0	112.8	L340 H341 H359 H360 K361	L340-E357 HydrophobicContact CD1-CG 4.42Å; H341-E357 IonicContact CE1-OE1 2.98Å; H341-E357 PolarHBondContact CE1-OE1 2.62Å; H341-E357 IonicContact ND1-OE1 3.81Å; H341-E357 IonicContact NE2-OE1 3.56Å; H341-E357 PolarHBondContact NE2-OE1 3.24Å; E357-H359 VanDerWaalsContact C-N 3.3Å; E357-H359 PolarHBondContact O-N 3.31Å; E357-H360 PolarHBondContact O-N 2.79Å; E357-K361 WeakPolarHBondContact O-CB 3.44Å; E357-K361 WeakPolarHBondContact O-CG 3.44Å; E357-K361 PolarHBondContact O-N 3.5Å
358	E	92.4	Very high	96.4	Very high	152 Å²	152	45 Å²	45	71%	0.71	25%	0.245	S	C	*	.	H	α-helix	trans	-62.9	-36.9	-174.7	-173.1	172.2	-175.8	0	0	112.7	H356 R379	H356-E358 PolarHBondContact O-N 2.88Å; E358-R379 PolarHBondContact O-NH1 2.87Å; E358-R379 PolarHBondContact O-NH2 3.12Å
359	H	94.3	Very high	96.1	Very high	107 Å²	107	43 Å²	43	50%	0.495	23%	0.233	S	C	.	.	H	α-helix	trans	-87.9	-25.5	-177.3	-61.2	-51.4	0	0	0	113.6	H356 E357 R379	H356-H359 HydrophobicContact CB-CB 4.18Å; H356-H359 PolarHBondContact O-N 2.82Å; E357-H359 VanDerWaalsContact C-N 3.3Å; E357-H359 PolarHBondContact O-N 3.31Å; H359-R379 WeakPolarHBondContact O-CD 3.48Å; H359-R379 PolarHBondContact O-NE 3.19Å; H359-R379 PolarHBondContact O-NH1 3.39Å
360	H	97.4	Very high	95.8	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.046	23%	0.225	C	C	.	.	H	α-helix	trans	-117.9	-8.2	-168.9	-54.1	160.5	0	0	0	114.4	P337 H338 L340 S354 H356 E357	P337-H360 HydrophobicContact CB-CB 3.78Å; P337-H360 WeakPolarHBondContact CD-O 2.98Å; P337-H360 HydrophobicContact CG-CB 4.02Å; P337-H360 PolarHBondContact O-ND1 3.4Å; H338-H360 AromaticContact CD2-CE1 3.15Å; H338-H360 PolarHBondContact CD2-CE1 3.15Å; H338-H360 AromaticContact CD2-ND1 3.84Å; H338-H360 AromaticContact CD2-NE2 3.52Å; H338-H360 AromaticContact CG-CE1 3.66Å; H338-H360 AromaticContact NE2-CE1 3.94Å; L340-H360 HydrophobicContact CB-CB 4.24Å; L340-H360 HydrophobicContact CD2-CB 3.93Å; S354-H360 PolarHBondContact O-CE1 3.11Å; S354-H360 VanDerWaalsContact O-CE1 3.24Å; H356-H360 PolarHBondContact N-ND1 3.17Å; H356-H360 VanDerWaalsContact N-ND1 3.11Å; H356-H360 VanDerWaalsContact O-CB 3.25Å; H356-H360 WeakPolarHBondContact O-CB 3.31Å; H356-H360 PolarHBondContact O-N 2.63Å; E357-H360 PolarHBondContact O-N 2.79Å
361	K	95.9	Very high	95.6	Very high	37 Å²	37	41.3 Å²	41.3	16%	0.161	23%	0.225	C	C	.	.			trans	-70.7	146.8	173.2	76.6	-178.7	-178.2	167.5	0	112.3	E273 L340 E357 R379	E273-K361 IonicContact OE1-NZ 3.42Å; E273-K361 PolarHBondContact OE1-NZ 3.44Å; E273-K361 IonicContact OE2-NZ 3.83Å; E273-K361 PolarHBondContact OE2-NZ 2.88Å; L340-K361 HydrophobicContact CD2-CB 4.45Å; E357-K361 WeakPolarHBondContact O-CB 3.44Å; E357-K361 WeakPolarHBondContact O-CG 3.44Å; E357-K361 PolarHBondContact O-N 3.5Å; K361-R379 VanDerWaalsContact O-CD 3.27Å; K361-R379 WeakPolarHBondContact O-CD 3.49Å; K361-R379 PolarHBondContact O-NH1 2.93Å
362	T	96.4	Very high	95.3	Very high	13 Å²	13	39 Å²	39	8%	0.08	21%	0.211	C	C	.	.			trans	-91.2	135.6	167.8	-71.8	0	0	0	0	109.7	L288 A377 R379	L288-T362 HydrophobicContact CD1-CG2 3.82Å; L288-T362 HydrophobicContact CG-CG2 4.26Å; T362-A377 CarbonylContact C-O 3.52Å; T362-A377 WeakPolarHBondContact CA-O 3.27Å; T362-A377 WeakPolarHBondContact CG2-O 3.38Å; T362-R379 PolarHBondContact OG1-N 3.14Å; T362-R379 PolarHBondContact OG1-O 2.89Å; T362-R379 VanDerWaalsContact OG1-O 3.12Å
363	F	96.8	Very high	95.1	Very high	20 Å²	20	37.5 Å²	37.5	9%	0.088	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.4	176.2	74.2	-93.9	0	0	0	112.6	R285 Y286 N375 F376 A377	R285-F363 HydrophobicContact CG-CB 4.28Å; Y286-F363 CarbonylContact O-C 3.57Å; Y286-F363 WeakPolarHBondContact O-CA 3.43Å; Y286-F363 WeakPolarHBondContact O-CB 3.29Å; F363-N375 WeakPolarHBondContact CE2-ND2 3.5Å; F363-F376 WeakPolarHBondContact O-CA 3.47Å; F363-F376 WeakPolarHBondContact O-CB 3.46Å; F363-A377 HydrophobicContact CD1-CB 3.85Å; F363-A377 HydrophobicContact CE1-CB 3.36Å; F363-A377 HydrophobicContact CZ-CB 3.81Å; F363-A377 PolarHBondContact N-O 3.17Å; F363-A377 PolarHBondContact O-N 2.9Å
364	L	97.1	Very high	94.8	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.063	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.3	173.3	-57.4	163.7	0	0	0	107.4	A244 F247 F259 A270 R285 Y286 V366 T373 F376	A244-L364 HydrophobicContact CB-CD1 4.27Å; A244-L364 HydrophobicContact CB-CD2 4.29Å; F247-L364 HydrophobicContact CE2-CD1 4.21Å; F247-L364 HydrophobicContact CZ-CD1 3.98Å; F259-L364 HydrophobicContact CD1-CD1 4.28Å; F259-L364 HydrophobicContact CE1-CD1 3.85Å; F259-L364 HydrophobicContact CZ-CD1 4.28Å; A270-L364 HydrophobicContact CB-CD1 4.41Å; R285-L364 CarbonylContact C-O 3.56Å; R285-L364 WeakPolarHBondContact CA-O 3.28Å; Y286-L364 PolarHBondContact N-O 2.82Å; Y286-L364 PolarHBondContact O-N 3Å; L364-V366 HydrophobicContact CB-CG2 4.17Å; L364-T373 HydrophobicContact CB-CG2 4.4Å; L364-T373 HydrophobicContact CD2-CG2 4.04Å; L364-F376 HydrophobicContact CD2-CB 3.8Å
365	D	97.1	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.3	171.4	-68.7	-24.6	0	0	0	108.2	V283 Y284 R285 L374 N375	V283-D365 HydrophobicContact CB-CB 4.25Å; V283-D365 HydrophobicContact CG2-CB 3.75Å; Y284-D365 WeakPolarHBondContact O-CA 3.19Å; R285-D365 WeakPolarHBondContact CA-OD1 3.37Å; R285-D365 VanDerWaalsContact CB-OD1 3.31Å; R285-D365 WeakPolarHBondContact CB-OD1 3.47Å; R285-D365 WeakPolarHBondContact CG-OD1 3.42Å; R285-D365 IonicContact CZ-OD1 2.79Å; R285-D365 IonicContact CZ-OD2 2.76Å; R285-D365 IonicContact NE-OD1 3.8Å; R285-D365 PolarHBondContact NE-OD1 2.67Å; R285-D365 IonicContact NE-OD2 2.82Å; R285-D365 IonicContact NH2-OD1 2.74Å; R285-D365 PolarHBondContact NH2-OD1 3.01Å; R285-D365 IonicContact NH2-OD2 3.72Å; R285-D365 PolarHBondContact NH2-OD2 3.47Å; D365-L374 PolarHBondContact O-N 2.83Å; D365-N375 WeakPolarHBondContact CA-O 3.44Å; D365-N375 HydrophobicContact CB-CB 3.97Å; D365-N375 WeakPolarHBondContact CB-O 3.45Å; D365-N375 PolarHBondContact N-O 3.27Å; D365-N375 PolarHBondContact O-N 2.71Å; D365-N375 PolarHBondContact OD2-ND2 3.06Å
366	V	96.8	Very high	94.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.7	-171.4	-177.1	0	0	0	0	109.7	F247 V251 L257 Y284 Y286 L364 G371 F372	F247-V366 HydrophobicContact CD2-CG1 4.07Å; F247-V366 HydrophobicContact CD2-CG2 3.88Å; F247-V366 HydrophobicContact CE2-CG2 3.85Å; V251-V366 HydrophobicContact CG2-CG1 4.2Å; L257-V366 HydrophobicContact CD1-CG2 3.91Å; Y284-V366 PolarHBondContact N-O 2.72Å; Y284-V366 PolarHBondContact O-N 2Å; Y286-V366 HydrophobicContact CD2-CB 4.43Å; Y286-V366 HydrophobicContact CD2-CG2 4.26Å; L364-V366 HydrophobicContact CB-CG2 4.17Å; V366-G371 WeakPolarHBondContact CG1-O 3.49Å; V366-F372 WeakPolarHBondContact CA-O 3.23Å
367	E	94.3	Very high	94.6	Very high	15 Å²	15	31.2 Å²	31.2	7%	0.07	15%	0.153	C	C	.	.			trans	-74	123.1	172.8	-167.3	-77.7	129.7	0	0	109.3	I281 V283 T369 S370 G371 F372 L374 F423	I281-E367 HydrophobicContact CG2-CG 3.96Å; V283-E367 HydrophobicContact CG1-CB 4.22Å; E367-T369 VanDerWaalsContact C-N 3.35Å; E367-T369 VanDerWaalsContact CD-N 3.33Å; E367-T369 PolarHBondContact O-N 2.91Å; E367-T369 WeakPolarHBondContact OE1-CB 3.47Å; E367-T369 PolarHBondContact OE1-N 2.89Å; E367-T369 PolarHBondContact OE1-OG1 3.04Å; E367-T369 PolarHBondContact OE2-N 3.24Å; E367-S370 WeakPolarHBondContact OE2-CB 3.3Å; E367-S370 PolarHBondContact OE2-N 2.56Å; E367-S370 PolarHBondContact OE2-OG 2.9Å; E367-G371 VanDerWaalsContact O-CA 3.27Å; E367-G371 WeakPolarHBondContact O-CA 3.4Å; E367-G371 PolarHBondContact O-N 3.18Å; E367-F372 PolarHBondContact N-O 3.47Å; E367-L374 HydrophobicContact CB-CD1 3.83Å; E367-L374 HydrophobicContact CB-CG 4.21Å; E367-L374 HydrophobicContact CG-CD1 4.38Å; E367-F423 HydrophobicContact CB-CZ 4.16Å; E367-F423 HydrophobicContact CG-CE1 3.86Å; E367-F423 HydrophobicContact CG-CZ 3.81Å
368	P	94.4	Very high	94.7	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.123	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.4	-164.7	26.5	-35.9	0	0	0	114.8	F250 V251 D282 Y284	F250-P368 CarbonylContact C-O 3.58Å; F250-P368 WeakPolarHBondContact CA-O 3.14Å; F250-P368 PolarHBondContact N-O 2.85Å; V251-P368 PolarHBondContact N-O 2.82Å; D282-P368 VanDerWaalsContact O-CD 3.31Å; D282-P368 WeakPolarHBondContact O-CD 3.39Å; Y284-P368 HydrophobicContact CD1-CG 4.47Å; Y284-P368 HydrophobicContact CD2-CB 3.84Å; Y284-P368 HydrophobicContact CE1-CB 4.26Å; Y284-P368 HydrophobicContact CE1-CG 4.09Å; Y284-P368 HydrophobicContact CE2-CB 3.46Å; Y284-P368 VanDerWaalsContact CE2-CB 3.46Å; Y284-P368 HydrophobicContact CE2-CG 4.19Å; Y284-P368 HydrophobicContact CG-CB 4.37Å
369	T	91	Very high	95	Very high	41 Å²	41	22.7 Å²	22.7	25%	0.252	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-52	-175.3	-43.5	0	0	0	0	110.9	V39 P249 F250 E367 I431	V39-T369 HydrophobicContact CG2-CG2 3.96Å; P249-T369 WeakPolarHBondContact CA-O 3.39Å; P249-T369 WeakPolarHBondContact CB-O 3.5Å; F250-T369 HydrophobicContact CD1-CG2 4.47Å; F250-T369 HydrophobicContact CE1-CG2 4.11Å; F250-T369 PolarHBondContact N-O 3.22Å; E367-T369 VanDerWaalsContact C-N 3.35Å; E367-T369 VanDerWaalsContact CD-N 3.33Å; E367-T369 PolarHBondContact O-N 2.91Å; E367-T369 WeakPolarHBondContact OE1-CB 3.47Å; E367-T369 PolarHBondContact OE1-N 2.89Å; E367-T369 PolarHBondContact OE1-OG1 3.04Å; E367-T369 PolarHBondContact OE2-N 3.24Å; T369-I431 HydrophobicContact CG2-CD1 4.04Å
370	S	89.8	Confident	95.1	Very high	7 Å²	7	18.4 Å²	18.4	5%	0.049	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-28.4	179.9	62.2	0	0	0	0	113.6	E367 F372	E367-S370 WeakPolarHBondContact OE2-CB 3.3Å; E367-S370 PolarHBondContact OE2-N 2.56Å; E367-S370 PolarHBondContact OE2-OG 2.9Å; S370-F372 VanDerWaalsContact C-N 3.3Å; S370-F372 PolarHBondContact OG-N 2.97Å
371	G	93.3	Very high	95.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.			trans	79.3	7.2	-171.7	0	0	0	0	0	114.1	S246 F247 V366 E367	S246-G371 CarbonylContact C-O 3.57Å; F247-G371 PolarHBondContact N-O 3.47Å; F247-G371 WeakPolarHBondContact O-CA 3.36Å; V366-G371 WeakPolarHBondContact CG1-O 3.49Å; E367-G371 VanDerWaalsContact O-CA 3.27Å; E367-G371 WeakPolarHBondContact O-CA 3.4Å; E367-G371 PolarHBondContact O-N 3.18Å
372	F	92	Very high	95.3	Very high	31 Å²	31	17.1 Å²	17.1	14%	0.136	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-76	137.2	-179.5	-63.9	-11.8	0	0	0	112.3	A51 V366 E367 S370 L374 F423	A51-F372 HydrophobicContact CB-CE1 4.35Å; A51-F372 HydrophobicContact CB-CZ 4Å; V366-F372 WeakPolarHBondContact CA-O 3.23Å; E367-F372 PolarHBondContact N-O 3.47Å; S370-F372 VanDerWaalsContact C-N 3.3Å; S370-F372 PolarHBondContact OG-N 2.97Å; F372-L374 HydrophobicContact CB-CD2 4.03Å; F372-L374 PolarHBondContact O-N 3.49Å; F372-F423 AromaticContact CD2-CE2 3.91Å; F372-F423 HydrophobicContact CD2-CE2 3.91Å
373	T	94.1	Very high	95.4	Very high	22 Å²	22	16.5 Å²	16.5	14%	0.135	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	107.4	171.7	-58.8	0	0	0	0	109	A244 S245 L364 F376	A244-T373 PolarHBondContact O-OG1 2.86Å; S245-T373 WeakPolarHBondContact O-CB 3.38Å; S245-T373 PolarHBondContact O-N 2.84Å; S245-T373 PolarHBondContact O-OG1 2.83Å; L364-T373 HydrophobicContact CB-CG2 4.4Å; L364-T373 HydrophobicContact CD2-CG2 4.04Å; T373-F376 HydrophobicContact CG2-CB 3.97Å; T373-F376 HydrophobicContact CG2-CD1 4.18Å; T373-F376 HydrophobicContact CG2-CG 4.44Å
374	L	92.6	Very high	95.5	Very high	21 Å²	21	16 Å²	16	11%	0.11	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-23.1	-175.2	-59.3	-172.8	0	0	0	113.1	L278 I281 V283 D365 E367 F372 L415 F423	L278-L374 HydrophobicContact CD2-CB 3.76Å; I281-L374 HydrophobicContact CD1-CD1 4.28Å; I281-L374 HydrophobicContact CG2-CD1 4Å; V283-L374 HydrophobicContact CG1-CD1 4.06Å; D365-L374 PolarHBondContact O-N 2.83Å; E367-L374 HydrophobicContact CB-CD1 3.83Å; E367-L374 HydrophobicContact CB-CG 4.21Å; E367-L374 HydrophobicContact CG-CD1 4.38Å; F372-L374 HydrophobicContact CB-CD2 4.03Å; F372-L374 PolarHBondContact O-N 3.49Å; L374-L415 HydrophobicContact CB-CD2 4.42Å; L374-L415 HydrophobicContact CD1-CD2 4.33Å; L374-L415 WeakPolarHBondContact O-CB 3.16Å; L374-L415 PolarHBondContact O-N 2.87Å; L374-F423 HydrophobicContact CD1-CD1 4.34Å; L374-F423 HydrophobicContact CD1-CE1 4.11Å; L374-F423 HydrophobicContact CD1-CZ 4.25Å; L374-F423 HydrophobicContact CD2-CD2 4.34Å; L374-F423 HydrophobicContact CD2-CE2 4.22Å
375	N	94.8	Very high	95.5	Very high	16 Å²	16	15.8 Å²	15.8	9%	0.086	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	139.4	176.1	174.2	49.5	0	0	0	109.4	L278 F363 D365 A413 T414	L278-N375 HydrophobicContact CD1-CB 4.31Å; L278-N375 HydrophobicContact CD2-CB 3.69Å; F363-N375 WeakPolarHBondContact CE2-ND2 3.5Å; D365-N375 WeakPolarHBondContact CA-O 3.44Å; D365-N375 HydrophobicContact CB-CB 3.97Å; D365-N375 WeakPolarHBondContact CB-O 3.45Å; D365-N375 PolarHBondContact N-O 3.27Å; D365-N375 PolarHBondContact O-N 2.71Å; D365-N375 PolarHBondContact OD2-ND2 3.06Å; N375-A413 WeakPolarHBondContact CA-O 3.4Å; N375-A413 PolarHBondContact OD1-O 3.09Å; N375-T414 WeakPolarHBondContact OD1-CG2 3.48Å
376	F	95.6	Very high	95.4	Very high	35 Å²	35	16 Å²	16	15%	0.154	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.1	177	72.2	-86.8	0	0	0	112.7	V62 F363 L364 T373 K378 E411 T412 A413	V62-F376 HydrophobicContact CG1-CZ 4.17Å; F363-F376 WeakPolarHBondContact O-CA 3.47Å; F363-F376 WeakPolarHBondContact O-CB 3.46Å; L364-F376 HydrophobicContact CD2-CB 3.8Å; T373-F376 HydrophobicContact CG2-CB 3.97Å; T373-F376 HydrophobicContact CG2-CD1 4.18Å; T373-F376 HydrophobicContact CG2-CG 4.44Å; F376-K378 HydrophobicContact CD2-CB 4.3Å; F376-K378 HydrophobicContact CE2-CB 4.37Å; F376-E411 HydrophobicContact CE2-CG 4Å; F376-E411 WeakPolarHBondContact CE2-O 3.35Å; F376-E411 HydrophobicContact CZ-CG 4.33Å; F376-T412 VanDerWaalsContact O-CA 3.28Å; F376-T412 WeakPolarHBondContact O-CA 3.46Å; F376-T412 WeakPolarHBondContact O-CB 3.39Å; F376-T412 PolarHBondContact O-OG1 3.25Å; F376-A413 HydrophobicContact CD1-CB 3.99Å; F376-A413 HydrophobicContact CE1-CB 3.37Å; F376-A413 HydrophobicContact CZ-CB 4.02Å; F376-A413 PolarHBondContact N-O 2.99Å; F376-A413 VanDerWaalsContact N-O 3.14Å; F376-A413 PolarHBondContact O-N 2.87Å
377	A	96.6	Very high	95.4	Very high	2 Å²	2	16 Å²	16	2%	0.017	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	108.4	165.1	0	0	0	0	0	108.6	T362 F363 R379 E411	T362-A377 CarbonylContact C-O 3.52Å; T362-A377 WeakPolarHBondContact CA-O 3.27Å; T362-A377 WeakPolarHBondContact CG2-O 3.38Å; F363-A377 HydrophobicContact CD1-CB 3.85Å; F363-A377 HydrophobicContact CE1-CB 3.36Å; F363-A377 HydrophobicContact CZ-CB 3.81Å; F363-A377 PolarHBondContact N-O 3.17Å; F363-A377 PolarHBondContact O-N 2.9Å; A377-R379 HydrophobicContact CB-CG 4.35Å; A377-E411 CarbonylContact C-O 3.56Å; A377-E411 WeakPolarHBondContact CA-O 3.41Å
378	K	96.8	Very high	95.4	Very high	36 Å²	36	17.3 Å²	17.3	16%	0.157	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	110	171.3	176.4	-178.2	-174.2	175.1	0	108.1	S261 D263 F376 I380 E411	S261-K378 PolarHBondContact OG-NZ 2.85Å; D263-K378 IonicContact OD2-NZ 3.48Å; D263-K378 PolarHBondContact OD2-NZ 3.48Å; F376-K378 HydrophobicContact CD2-CB 4.3Å; F376-K378 HydrophobicContact CE2-CB 4.37Å; K378-I380 HydrophobicContact CD-CD1 4.21Å; K378-I380 HydrophobicContact CG-CD1 3.95Å; K378-I380 HydrophobicContact CG-CG1 4.32Å; K378-E411 HydrophobicContact CB-CB 4.24Å; K378-E411 PolarHBondContact N-O 2.86Å; K378-E411 PolarHBondContact O-N 2.86Å
379	R	97.6	Very high	95.5	Very high	32 Å²	32	17 Å²	17	12%	0.121	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.4	-174.6	-57.9	-171.5	-172.2	147.8	-20.3	110.8	P337 E358 H359 K361 T362 A377 L409 N410	P337-R379 HydrophobicContact CG-CB 3.96Å; E358-R379 PolarHBondContact O-NH1 2.87Å; E358-R379 PolarHBondContact O-NH2 3.12Å; H359-R379 WeakPolarHBondContact O-CD 3.48Å; H359-R379 PolarHBondContact O-NE 3.19Å; H359-R379 PolarHBondContact O-NH1 3.39Å; K361-R379 VanDerWaalsContact O-CD 3.27Å; K361-R379 WeakPolarHBondContact O-CD 3.49Å; K361-R379 PolarHBondContact O-NH1 2.93Å; T362-R379 PolarHBondContact OG1-N 3.14Å; T362-R379 PolarHBondContact OG1-O 2.89Å; T362-R379 VanDerWaalsContact OG1-O 3.12Å; A377-R379 HydrophobicContact CB-CG 4.35Å; R379-L409 VanDerWaalsContact CA-O 3.28Å; R379-L409 WeakPolarHBondContact CA-O 3.43Å; R379-N410 HydrophobicContact CG-CB 4.46Å
380	I	97.7	Very high	95.6	Very high	18 Å²	18	24.6 Å²	24.6	9%	0.092	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.3	-173.6	-64.1	171.7	0	0	0	109.1	I264 I334 K378 W408 L409	I264-I380 HydrophobicContact CG2-CD1 3.69Å; I334-I380 HydrophobicContact CD1-CG2 4.24Å; I334-I380 HydrophobicContact CG2-CG2 3.68Å; K378-I380 HydrophobicContact CD-CD1 4.21Å; K378-I380 HydrophobicContact CG-CD1 3.95Å; K378-I380 HydrophobicContact CG-CG1 4.32Å; I380-W408 CarbonylContact O-C 3.55Å; I380-W408 VanDerWaalsContact O-CA 3.24Å; I380-W408 WeakPolarHBondContact O-CA 3.29Å; I380-W408 WeakPolarHBondContact O-CB 3.41Å; I380-L409 HydrophobicContact CB-CD1 4.49Å; I380-L409 HydrophobicContact CB-CG 4.43Å; I380-L409 PolarHBondContact N-O 2.8Å; I380-L409 VanDerWaalsContact N-O 3.12Å; I380-L409 PolarHBondContact O-N 2.74Å
381	Q	98.7	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.5	171.1	-178.8	173.6	-71.3	0	0	110.6	F69 I334 S335 N383 P405 W408	F69-Q381 HydrophobicContact CE2-CG 4.31Å; I334-Q381 WeakPolarHBondContact CA-O 3.17Å; S335-Q381 PolarHBondContact N-O 2.84Å; S335-Q381 PolarHBondContact O-N 2.92Å; S335-Q381 WeakPolarHBondContact OG-CB 3.46Å; S335-Q381 PolarHBondContact OG-NE2 3.42Å; Q381-N383 WeakPolarHBondContact CG-OD1 3.39Å; Q381-N383 PolarHBondContact NE2-OD1 3.49Å; Q381-N383 PolarHBondContact O-ND2 2.92Å; Q381-P405 HydrophobicContact CG-CB 4.49Å; Q381-W408 HydrophobicContact CB-CB 3.74Å; Q381-W408 HydrophobicContact CG-CB 4Å
382	V	98.6	Very high	96.2	Very high	19 Å²	19	27.7 Å²	27.7	12%	0.115	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.6	172.7	-175.1	0	0	0	0	108.1	F193 V332 I334 L406 V407	F193-V382 HydrophobicContact CZ-CG2 4.24Å; V332-V382 HydrophobicContact CG1-CG1 4.02Å; I334-V382 HydrophobicContact CD1-CG2 4.28Å; V382-L406 HydrophobicContact CG1-CD1 4.45Å; V382-L406 WeakPolarHBondContact O-CB 3.42Å; V382-L406 PolarHBondContact O-N 3.15Å; V382-V407 HydrophobicContact CB-CG1 3.99Å; V382-V407 HydrophobicContact CG2-CG1 4.29Å; V382-V407 PolarHBondContact N-O 2.84Å; V382-V407 PolarHBondContact O-N 3.27Å
383	N	98.7	Very high	96.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.3	179.8	-42.5	-88.3	0	0	0	109.3	V332 Y333 S335 F339 Q381 I403 F404 P405	V332-N383 WeakPolarHBondContact CA-O 3.15Å; Y333-N383 PolarHBondContact N-O 2.98Å; Y333-N383 WeakPolarHBondContact O-CA 3.26Å; Y333-N383 WeakPolarHBondContact O-CB 3.29Å; Y333-N383 PolarHBondContact O-N 3.44Å; Y333-N383 PolarHBondContact O-ND2 2.87Å; S335-N383 PolarHBondContact OG-ND2 2.82Å; F339-N383 VanDerWaalsContact CE1-OD1 3.23Å; F339-N383 WeakPolarHBondContact CE1-OD1 3.22Å; F339-N383 WeakPolarHBondContact CZ-OD1 3.45Å; Q381-N383 WeakPolarHBondContact CG-OD1 3.39Å; Q381-N383 PolarHBondContact NE2-OD1 3.49Å; Q381-N383 PolarHBondContact O-ND2 2.92Å; N383-I403 HydrophobicContact CB-CG2 3.57Å; N383-F404 CarbonylContact C-O 3.49Å; N383-F404 WeakPolarHBondContact CA-O 3.32Å; N383-F404 WeakPolarHBondContact CB-O 3.47Å; N383-P405 VanDerWaalsContact OD1-CA 3.3Å; N383-P405 WeakPolarHBondContact OD1-CA 3.45Å
384	M	97.9	Very high	96.5	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.044	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136	174	-171.1	175.4	-162.3	0	0	110.3	L138 L140 A143 G144 P331 F404 L406	L138-M384 HydrophobicContact CD2-CB 3.92Å; L138-M384 HydrophobicContact CD2-CG 4.16Å; L138-M384 HydrophobicContact CD2-SD 4.23Å; L140-M384 HydrophobicContact CB-SD 4.29Å; L140-M384 HydrophobicContact CD2-SD 3.57Å; L140-M384 VanDerWaalsContact CD2-SD 3.57Å; L140-M384 WeakPolarHBondContact O-CE 3.49Å; A143-M384 HydrophobicContact CB-CE 3.94Å; A143-M384 HydrophobicContact CB-CG 4.15Å; A143-M384 HydrophobicContact CB-SD 3.8Å; G144-M384 VanDerWaalsContact CA-CE 3.42Å; P331-M384 HydrophobicContact CG-CE 3.68Å; P331-M384 HydrophobicContact CG-CG 3.98Å; P331-M384 WeakPolarHBondContact O-CA 3.27Å; M384-F404 PolarHBondContact N-O 3.46Å; M384-F404 WeakPolarHBondContact O-CB 3.47Å; M384-F404 PolarHBondContact O-N 2.88Å; M384-L406 HydrophobicContact CB-CD1 3.76Å; M384-L406 HydrophobicContact CB-CG 4.26Å
385	M	96.9	Very high	96.7	Very high	9 Å²	9	28.3 Å²	28.3	4%	0.044	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.8	-179.4	179.2	-78.2	-71.4	0	0	111.5	Y146 T311 P331 Y333 Y401 T402	Y146-M385 HydrophobicContact CE1-SD 4.36Å; T311-M385 HydrophobicContact CG2-CG 3.76Å; P331-M385 HydrophobicContact CB-CB 4.21Å; P331-M385 HydrophobicContact CB-CE 4.09Å; P331-M385 PolarHBondContact O-N 2.89Å; Y333-M385 HydrophobicContact CD2-CB 3.93Å; Y333-M385 HydrophobicContact CE2-CB 3.58Å; Y333-M385 HydrophobicContact CE2-CG 4.39Å; M385-Y401 HydrophobicContact SD-CD1 3.8Å; M385-T402 WeakPolarHBondContact CA-O 3.24Å
386	Y	96.3	Very high	96.8	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	160.6	161	68.1	-91.5	0	0	0	109.8	L138 L168 L395 V398 T402 F404	L138-Y386 HydrophobicContact CD1-CD1 3.57Å; L138-Y386 HydrophobicContact CD1-CE1 3.81Å; L138-Y386 HydrophobicContact CD1-CG 4.36Å; L138-Y386 HydrophobicContact CD2-CD1 4.09Å; L168-Y386 HydrophobicContact CD1-CD2 4.33Å; L168-Y386 HydrophobicContact CD1-CG 4.28Å; L168-Y386 HydrophobicContact CD2-CD2 4.33Å; L168-Y386 HydrophobicContact CD2-CE2 4.01Å; Y386-L395 HydrophobicContact CD2-CD2 4Å; Y386-V398 HydrophobicContact CD2-CG1 4.12Å; Y386-V398 HydrophobicContact CD2-CG2 4.14Å; Y386-V398 HydrophobicContact CE2-CG1 3.92Å; Y386-V398 HydrophobicContact CE2-CG2 3.82Å; Y386-T402 HydrophobicContact CE1-CG2 4.04Å; Y386-T402 PolarHBondContact N-O 3.22Å; Y386-T402 VanDerWaalsContact N-O 3.11Å; Y386-T402 PolarHBondContact O-N 2.96Å; Y386-F404 HydrophobicContact CD1-CB 4.13Å; Y386-F404 HydrophobicContact CE1-CB 3.74Å; Y386-F404 HydrophobicContact CE1-CD2 4.13Å; Y386-F404 HydrophobicContact CE1-CG 4.13Å
387	G	95.1	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.			trans	-144.9	-179.5	-176	0	0	0	0	0	114.2	Y146	Y146-G387 VanDerWaalsContact CE1-N 3.26Å; Y146-G387 WeakPolarHBondContact OH-CA 3.17Å
388	P	95.3	Very high	96.7	Very high	44 Å²	44	38.9 Å²	38.9	29%	0.286	19%	0.191	S	C	.	.			trans	-67.3	142.4	-179.2	28.1	-34.7	0	0	0	111.4	Y146 V398	Y146-P388 PolarHBondContact OH-O 3.34Å; P388-V398 WeakPolarHBondContact CB-O 3.3Å
389	S	95.7	Very high	96.4	Very high	13 Å²	13	45.5 Å²	45.5	9%	0.091	22%	0.22	C	C	.	.			trans	-140.1	134.9	170	-174.8	0	0	0	0	111	V391 I392 K396	S389-V391 VanDerWaalsContact C-N 3.32Å; S389-V391 PolarHBondContact OG-N 3.33Å; S389-I392 PolarHBondContact OG-N 3.19Å; S389-K396 VanDerWaalsContact O-CA 3.3Å; S389-K396 WeakPolarHBondContact O-CA 3.44Å
390	K	94.7	Very high	96.2	Very high	200 Å²	200	47.6 Å²	47.6	87%	0.87	23%	0.234	S	C	*	.	S	Bend	trans	-81.8	-15.8	172.2	-64.8	-178.3	-176.6	174.4	0	112.6
391	V	96.6	Very high	96.1	Very high	70 Å²	70	49.5 Å²	49.5	42%	0.424	24%	0.24	S	C	.	.	S	Bend	trans	-101.8	-46.6	-173	-177.9	0	0	0	0	110.8	H154 S389 T393	H154-V391 HydrophobicContact CB-CB 4.12Å; H154-V391 HydrophobicContact CB-CG1 4.04Å; S389-V391 VanDerWaalsContact C-N 3.32Å; S389-V391 PolarHBondContact OG-N 3.33Å; V391-T393 PolarHBondContact O-N 3.31Å
392	I	97.1	Very high	96	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.244	C	C	.	.	S	Bend	trans	-78.6	114.1	179.4	-64.5	162.1	0	0	0	109.6	Y146 H154 V157 D158 I161 S389 V394 L395 K396	Y146-I392 HydrophobicContact CD2-CD1 4.01Å; H154-I392 HydrophobicContact CB-CD1 4.09Å; H154-I392 HydrophobicContact CB-CG1 4.15Å; V157-I392 HydrophobicContact CB-CD1 4.28Å; V157-I392 HydrophobicContact CB-CG1 4.49Å; V157-I392 HydrophobicContact CG1-CD1 3.97Å; V157-I392 HydrophobicContact CG1-CG1 4.41Å; D158-I392 HydrophobicContact CB-CG1 4.3Å; I161-I392 HydrophobicContact CD1-CG2 3.84Å; S389-I392 PolarHBondContact OG-N 3.19Å; I392-V394 VanDerWaalsContact C-N 3.34Å; I392-V394 HydrophobicContact CG2-CG2 3.68Å; I392-V394 PolarHBondContact O-N 3.33Å; I392-L395 HydrophobicContact CB-CB 4.33Å; I392-L395 HydrophobicContact CB-CD1 4.18Å; I392-L395 HydrophobicContact CB-CG 4.45Å; I392-L395 HydrophobicContact CD1-CD1 4.22Å; I392-L395 HydrophobicContact CG2-CB 4.17Å; I392-L395 HydrophobicContact CG2-CD1 3.9Å; I392-L395 HydrophobicContact CG2-CG 3.92Å; I392-L395 PolarHBondContact O-N 3.48Å; I392-K396 PolarHBondContact O-N 3.4Å
393	T	96.7	Very high	95.9	Very high	67 Å²	67	49.6 Å²	49.6	41%	0.411	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-60.6	-42.5	-169.1	-55.1	0	0	0	0	111.9	D158 K162 V391 L395 K396	D158-T393 VanDerWaalsContact OD1-CB 3.25Å; D158-T393 WeakPolarHBondContact OD1-CB 3.42Å; D158-T393 PolarHBondContact OD1-N 3.29Å; D158-T393 PolarHBondContact OD1-OG1 3.5Å; D158-T393 PolarHBondContact OD2-OG1 3.44Å; K162-T393 WeakPolarHBondContact CE-OG1 3.45Å; K162-T393 PolarHBondContact NZ-OG1 2.97Å; V391-T393 PolarHBondContact O-N 3.31Å; T393-L395 PolarHBondContact O-N 3.18Å; T393-K396 VanDerWaalsContact O-CB 3.29Å; T393-K396 WeakPolarHBondContact O-CB 3.45Å; T393-K396 PolarHBondContact O-N 3.01Å
394	V	96.7	Very high	95.9	Very high	20 Å²	20	49.6 Å²	49.6	12%	0.121	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-70.6	-12	-180	-60.2	0	0	0	0	113.7	V142 I161 L168 I392	V142-V394 HydrophobicContact CG1-CG2 3.96Å; I161-V394 HydrophobicContact CD1-CG2 4.29Å; I161-V394 HydrophobicContact CG2-CG1 4.08Å; I161-V394 HydrophobicContact CG2-CG2 4.16Å; L168-V394 HydrophobicContact CB-CB 4.49Å; I392-V394 VanDerWaalsContact C-N 3.34Å; I392-V394 HydrophobicContact CG2-CG2 3.68Å; I392-V394 PolarHBondContact O-N 3.33Å
395	L	97	Very high	95.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-108	-0	176.8	-65.6	176.2	0	0	0	112.8	Y146 L168 Y386 I392 T393 K397 V398	Y146-L395 HydrophobicContact CD2-CD1 3.48Å; Y146-L395 VanDerWaalsContact CD2-CD1 3.48Å; Y146-L395 HydrophobicContact CE2-CD1 4.07Å; Y146-L395 HydrophobicContact CG-CD1 3.76Å; L168-L395 HydrophobicContact CD1-CD2 3.63Å; L168-L395 HydrophobicContact CD2-CD2 4.16Å; L168-L395 HydrophobicContact CG-CD2 4.46Å; Y386-L395 HydrophobicContact CD2-CD2 4Å; I392-L395 HydrophobicContact CB-CB 4.33Å; I392-L395 HydrophobicContact CB-CD1 4.18Å; I392-L395 HydrophobicContact CB-CG 4.45Å; I392-L395 HydrophobicContact CD1-CD1 4.22Å; I392-L395 HydrophobicContact CG2-CB 4.17Å; I392-L395 HydrophobicContact CG2-CD1 3.9Å; I392-L395 HydrophobicContact CG2-CG 3.92Å; I392-L395 PolarHBondContact O-N 3.48Å; T393-L395 PolarHBondContact O-N 3.18Å; L395-K397 PolarHBondContact O-N 3.18Å; L395-V398 HydrophobicContact CD2-CG2 4.03Å; L395-V398 WeakPolarHBondContact O-CB 3.33Å; L395-V398 PolarHBondContact O-N 3.38Å; L395-V398 VanDerWaalsContact O-N 3.14Å
396	K	96.4	Very high	96	Very high	143 Å²	143	49 Å²	49	62%	0.622	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24	-172.3	-169.8	172.9	-178.5	175.6	0	114.3	S389 I392 T393	S389-K396 VanDerWaalsContact O-CA 3.3Å; S389-K396 WeakPolarHBondContact O-CA 3.44Å; I392-K396 PolarHBondContact O-N 3.4Å; T393-K396 VanDerWaalsContact O-CB 3.29Å; T393-K396 WeakPolarHBondContact O-CB 3.45Å; T393-K396 PolarHBondContact O-N 3.01Å
397	K	96.4	Very high	96.1	Very high	113 Å²	113	48.9 Å²	48.9	49%	0.491	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.9	179.8	-60.7	-63.3	-170.7	173.1	0	113.4	V78 E79 G81 L395 K399	V78-K397 WeakPolarHBondContact O-CG 3.39Å; E79-K397 WeakPolarHBondContact O-CE 3.22Å; G81-K397 WeakPolarHBondContact CA-O 3.49Å; L395-K397 PolarHBondContact O-N 3.18Å; K397-K399 PolarHBondContact O-N 2.87Å
398	V	94.5	Very high	96.3	Very high	19 Å²	19	49.5 Å²	49.5	12%	0.115	24%	0.24	C	C	.	.			trans	-66	131.3	174.4	178.4	0	0	0	0	108.2	L168 Y386 P388 L395 D400	L168-V398 HydrophobicContact CD2-CG2 4.38Å; Y386-V398 HydrophobicContact CD2-CG1 4.12Å; Y386-V398 HydrophobicContact CD2-CG2 4.14Å; Y386-V398 HydrophobicContact CE2-CG1 3.92Å; Y386-V398 HydrophobicContact CE2-CG2 3.82Å; P388-V398 WeakPolarHBondContact CB-O 3.3Å; L395-V398 HydrophobicContact CD2-CG2 4.03Å; L395-V398 WeakPolarHBondContact O-CB 3.33Å; L395-V398 PolarHBondContact O-N 3.38Å; L395-V398 VanDerWaalsContact O-N 3.14Å; V398-D400 WeakPolarHBondContact CG1-O 3.48Å
399	K	90.9	Very high	96.4	Very high	176 Å²	176	47.8 Å²	47.8	77%	0.765	23%	0.228	S	C	*	.			trans	-97.7	-34.5	-172.3	-65.9	177.6	-176.1	166.5	0	113.2	K397	K397-K399 PolarHBondContact O-N 2.87Å
400	D	92.8	Very high	96.6	Very high	75 Å²	75	48 Å²	48	40%	0.401	23%	0.228	S	C	.	.	S	Bend	trans	-144.3	171.3	-176.7	-159.2	1.5	0	0	0	109.7	K313 V398	K313-D400 IonicContact NZ-OD2 2.63Å; V398-D400 WeakPolarHBondContact CG1-O 3.48Å
401	Y	94.5	Very high	96.6	Very high	59 Å²	59	38.5 Å²	38.5	23%	0.231	19%	0.187	C	C	.	.			trans	-69.6	129.1	173.9	-63.6	-88.2	0	0	0	110.6	M385	M385-Y401 HydrophobicContact SD-CD1 3.8Å
402	T	96.3	Very high	96.6	Very high	13 Å²	13	36.4 Å²	36.4	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.9	-179.7	-58.2	0	0	0	0	109.5	D349 V350 M385 Y386 F404	D349-T402 HydrophobicContact CB-CG2 4.47Å; V350-T402 HydrophobicContact CG2-CG2 3.8Å; M385-T402 WeakPolarHBondContact CA-O 3.24Å; Y386-T402 HydrophobicContact CE1-CG2 4.04Å; Y386-T402 PolarHBondContact N-O 3.22Å; Y386-T402 VanDerWaalsContact N-O 3.11Å; Y386-T402 PolarHBondContact O-N 2.96Å; T402-F404 HydrophobicContact CG2-CB 4.37Å; T402-F404 PolarHBondContact O-N 2.77Å
403	I	97.9	Very high	96.3	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	97.6	167	-60	179.7	0	0	0	107.2	T311 L317 V320 Y333 F339 L346 N383	T311-I403 HydrophobicContact CG2-CD1 4.13Å; T311-I403 HydrophobicContact CG2-CG1 4.08Å; L317-I403 HydrophobicContact CD2-CD1 3.67Å; V320-I403 HydrophobicContact CB-CD1 4.32Å; V320-I403 HydrophobicContact CG1-CD1 4.2Å; V320-I403 HydrophobicContact CG1-CG2 4.43Å; V320-I403 HydrophobicContact CG2-CD1 3.92Å; Y333-I403 HydrophobicContact CD1-CD1 3.91Å; Y333-I403 HydrophobicContact CE1-CD1 4.13Å; Y333-I403 HydrophobicContact CG-CD1 4.2Å; Y333-I403 HydrophobicContact CG-CG2 4.21Å; F339-I403 HydrophobicContact CE1-CG2 4.23Å; F339-I403 HydrophobicContact CZ-CG2 4.3Å; L346-I403 HydrophobicContact CD2-CB 4.13Å; L346-I403 HydrophobicContact CD2-CD1 4.1Å; N383-I403 HydrophobicContact CB-CG2 3.57Å
404	F	98.6	Very high	95.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.6	-170.7	-175	-88.3	0	0	0	111.5	V71 P84 V86 L138 F169 V350 N383 M384 Y386 T402 L406	V71-F404 HydrophobicContact CG2-CE1 4.33Å; V71-F404 HydrophobicContact CG2-CE2 4.02Å; V71-F404 HydrophobicContact CG2-CZ 3.39Å; P84-F404 HydrophobicContact CB-CD2 4.47Å; P84-F404 HydrophobicContact CB-CE2 3.97Å; P84-F404 HydrophobicContact CG-CD2 4.46Å; P84-F404 HydrophobicContact CG-CE2 4.43Å; V86-F404 HydrophobicContact CG1-CE2 3.99Å; V86-F404 HydrophobicContact CG1-CZ 3.79Å; L138-F404 HydrophobicContact CB-CD1 3.77Å; L138-F404 HydrophobicContact CB-CE1 4.01Å; L138-F404 HydrophobicContact CD2-CB 4.3Å; L138-F404 HydrophobicContact CD2-CD1 4.28Å; L138-F404 HydrophobicContact CG-CD1 4.49Å; F169-F404 HydrophobicContact CE1-CE2 4.1Å; F169-F404 HydrophobicContact CE1-CZ 4.2Å; V350-F404 HydrophobicContact CG1-CE2 4.35Å; V350-F404 HydrophobicContact CG2-CD2 4.01Å; N383-F404 CarbonylContact C-O 3.49Å; N383-F404 WeakPolarHBondContact CA-O 3.32Å; N383-F404 WeakPolarHBondContact CB-O 3.47Å; M384-F404 PolarHBondContact N-O 3.46Å; M384-F404 WeakPolarHBondContact O-CB 3.47Å; M384-F404 PolarHBondContact O-N 2.88Å; Y386-F404 HydrophobicContact CD1-CB 4.13Å; Y386-F404 HydrophobicContact CE1-CB 3.74Å; Y386-F404 HydrophobicContact CE1-CD2 4.13Å; Y386-F404 HydrophobicContact CE1-CG 4.13Å; T402-F404 HydrophobicContact CG2-CB 4.37Å; T402-F404 PolarHBondContact O-N 2.77Å; F404-L406 HydrophobicContact CD1-CD2 3.93Å; F404-L406 HydrophobicContact CE1-CD2 4.28Å
405	P	98.6	Very high	95.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.4	-179	33.9	-36	0	0	0	110.8	F69 F339 V350 L353 Q381 N383	F69-P405 WeakPolarHBondContact CB-O 3.41Å; F69-P405 HydrophobicContact CD2-CB 3.61Å; F69-P405 HydrophobicContact CD2-CG 4.13Å; F69-P405 HydrophobicContact CE2-CB 3.78Å; F69-P405 HydrophobicContact CG-CB 4.21Å; F69-P405 HydrophobicContact CG-CG 4.22Å; F339-P405 HydrophobicContact CE2-CB 4.3Å; F339-P405 HydrophobicContact CE2-CG 4.31Å; F339-P405 HydrophobicContact CZ-CB 4.21Å; V350-P405 HydrophobicContact CG1-CG 4.09Å; L353-P405 HydrophobicContact CD1-CG 4.28Å; L353-P405 HydrophobicContact CD2-CG 4.14Å; Q381-P405 HydrophobicContact CG-CB 4.49Å; N383-P405 VanDerWaalsContact OD1-CA 3.3Å; N383-P405 WeakPolarHBondContact OD1-CA 3.45Å
406	L	98.6	Very high	94.6	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-55.3	-178	-62.1	176.5	0	0	0	111.2	F69 L138 L140 F192 V382 M384 F404	F69-L406 PolarHBondContact N-O 3.23Å; L138-L406 HydrophobicContact CB-CD2 3.71Å; L138-L406 HydrophobicContact CD2-CD2 4.25Å; L140-L406 HydrophobicContact CD2-CD1 3.7Å; L140-L406 HydrophobicContact CD2-CD2 4.09Å; F192-L406 HydrophobicContact CD1-CD1 4.16Å; F192-L406 HydrophobicContact CE1-CB 4.08Å; F192-L406 HydrophobicContact CE1-CD1 3.88Å; F192-L406 HydrophobicContact CE1-CD2 4.4Å; F192-L406 HydrophobicContact CE1-CG 4.36Å; F192-L406 HydrophobicContact CE2-CB 4.29Å; F192-L406 HydrophobicContact CZ-CB 3.87Å; V382-L406 HydrophobicContact CG1-CD1 4.45Å; V382-L406 WeakPolarHBondContact O-CB 3.42Å; V382-L406 PolarHBondContact O-N 3.15Å; M384-L406 HydrophobicContact CB-CD1 3.76Å; M384-L406 HydrophobicContact CB-CG 4.26Å; F404-L406 HydrophobicContact CD1-CD2 3.93Å; F404-L406 HydrophobicContact CE1-CD2 4.28Å
407	V	98.8	Very high	94.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	146.8	-174.8	61.2	0	0	0	0	108.6	F66 W67 L68 F192 F193 V382	F66-V407 HydrophobicContact CB-CG2 4.02Å; F66-V407 HydrophobicContact CD1-CG2 3.96Å; F66-V407 HydrophobicContact CG-CG2 4.46Å; W67-V407 CarbonylContact O-C 3.59Å; W67-V407 VanDerWaalsContact O-CA 3.3Å; W67-V407 WeakPolarHBondContact O-CA 3.46Å; W67-V407 WeakPolarHBondContact O-CG2 3.24Å; L68-V407 HydrophobicContact CG-CB 4.41Å; L68-V407 HydrophobicContact CG-CG2 4.09Å; F192-V407 HydrophobicContact CD2-CB 3.98Å; F192-V407 HydrophobicContact CD2-CG1 3.49Å; F192-V407 VanDerWaalsContact CD2-CG1 3.49Å; F192-V407 HydrophobicContact CE2-CB 3.92Å; F192-V407 HydrophobicContact CE2-CG1 3.89Å; F192-V407 HydrophobicContact CG-CG1 4.19Å; F193-V407 HydrophobicContact CE2-CG1 4.41Å; V382-V407 HydrophobicContact CB-CG1 3.99Å; V382-V407 HydrophobicContact CG2-CG1 4.29Å; V382-V407 PolarHBondContact N-O 2.84Å; V382-V407 PolarHBondContact O-N 3.27Å
408	W	98.7	Very high	93.6	Very high	13 Å²	13	40.7 Å²	40.7	5%	0.049	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.2	160.8	74.3	-91.3	0	0	0	110.8	W67 F69 E88 P337 H338 I380 Q381 N410	W67-W408 HydrophobicContact CB-CD2 4.15Å; W67-W408 HydrophobicContact CB-CG 4.22Å; W67-W408 HydrophobicContact CB-CZ2 3.99Å; W67-W408 HydrophobicContact CD2-CD2 4.33Å; W67-W408 AromaticContact CD2-CE2 3.66Å; W67-W408 AromaticContact CD2-CH2 3.58Å; W67-W408 HydrophobicContact CD2-CH2 3.58Å; W67-W408 AromaticContact CD2-CZ2 3.23Å; W67-W408 HydrophobicContact CD2-CZ2 3.23Å; W67-W408 HydrophobicContact CD2-CZ3 4.27Å; W67-W408 AromaticContact CE2-CH2 3.83Å; W67-W408 AromaticContact CE2-CZ2 3.64Å; W67-W408 AromaticContact CE3-CD2 3.92Å; W67-W408 HydrophobicContact CE3-CD2 3.92Å; W67-W408 AromaticContact CE3-CE2 3.71Å; W67-W408 AromaticContact CE3-CE3 3.83Å; W67-W408 HydrophobicContact CE3-CE3 3.83Å; W67-W408 AromaticContact CE3-CH2 3.3Å; W67-W408 HydrophobicContact CE3-CH2 3.3Å; W67-W408 AromaticContact CE3-CZ2 3.4Å; W67-W408 HydrophobicContact CE3-CZ2 3.4Å; W67-W408 VanDerWaalsContact CE3-CZ2 3.4Å; W67-W408 AromaticContact CE3-CZ3 3.55Å; W67-W408 HydrophobicContact CE3-CZ3 3.55Å; W67-W408 HydrophobicContact CG-CD2 4.48Å; W67-W408 AromaticContact CG-CE2 3.62Å; W67-W408 HydrophobicContact CG-CH2 4.35Å; W67-W408 AromaticContact CG-CZ2 3.54Å; W67-W408 HydrophobicContact CG-CZ2 3.54Å; W67-W408 AromaticContact CG-NE1 3.75Å; W67-W408 AromaticContact CH2-CH2 3.63Å; W67-W408 HydrophobicContact CH2-CH2 3.63Å; W67-W408 HydrophobicContact CH2-CZ2 4.28Å; W67-W408 HydrophobicContact CH2-CZ3 4.14Å; W67-W408 AromaticContact CZ2-CH2 3.87Å; W67-W408 HydrophobicContact CZ2-CH2 3.87Å; W67-W408 HydrophobicContact CZ2-CZ2 4.15Å; W67-W408 HydrophobicContact CZ3-CE3 4.14Å; W67-W408 AromaticContact CZ3-CH2 3.33Å; W67-W408 HydrophobicContact CZ3-CH2 3.33Å; W67-W408 AromaticContact CZ3-CZ2 3.93Å; W67-W408 HydrophobicContact CZ3-CZ2 3.93Å; W67-W408 AromaticContact CZ3-CZ3 3.47Å; W67-W408 HydrophobicContact CZ3-CZ3 3.47Å; W67-W408 VanDerWaalsContact CZ3-CZ3 3.47Å; W67-W408 PolarHBondContact N-O 2.86Å; W67-W408 PolarHBondContact O-N 2.86Å; F69-W408 AromaticContact CE2-CD1 3.77Å; F69-W408 AromaticContact CZ-CD1 3.62Å; E88-W408 PolarHBondContact OE2-NE1 2.86Å; P337-W408 HydrophobicContact CB-CB 4Å; P337-W408 HydrophobicContact CB-CD2 3.73Å; P337-W408 HydrophobicContact CB-CE3 3.93Å; P337-W408 HydrophobicContact CB-CG 3.77Å; P337-W408 HydrophobicContact CG-CB 4.11Å; P337-W408 HydrophobicContact CG-CD2 3.91Å; P337-W408 HydrophobicContact CG-CE3 3.6Å; P337-W408 HydrophobicContact CG-CG 4.15Å; P337-W408 HydrophobicContact CG-CZ3 4.29Å; H338-W408 AromaticContact NE2-NE1 3.82Å; I380-W408 CarbonylContact O-C 3.55Å; I380-W408 VanDerWaalsContact O-CA 3.24Å; I380-W408 WeakPolarHBondContact O-CA 3.29Å; I380-W408 WeakPolarHBondContact O-CB 3.41Å; Q381-W408 HydrophobicContact CB-CB 3.74Å; Q381-W408 HydrophobicContact CG-CB 4Å; W408-N410 HydrophobicContact CZ3-CB 3.97Å
409	L	98.1	Very high	93	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.7	-177	66.2	90.6	0	0	0	111.6	R64 Q65 F66 F193 R379 I380 E411	R64-L409 HydrophobicContact CG-CB 4.33Å; R64-L409 HydrophobicContact CG-CD1 4.43Å; Q65-L409 CarbonylContact O-C 3.54Å; Q65-L409 WeakPolarHBondContact O-CA 3.31Å; F66-L409 HydrophobicContact CD1-CB 3.78Å; F66-L409 HydrophobicContact CE1-CB 3.9Å; F66-L409 HydrophobicContact CE1-CD2 4.14Å; F193-L409 HydrophobicContact CE1-CD2 4.16Å; F193-L409 HydrophobicContact CZ-CD2 3.75Å; R379-L409 VanDerWaalsContact CA-O 3.28Å; R379-L409 WeakPolarHBondContact CA-O 3.43Å; I380-L409 HydrophobicContact CB-CD1 4.49Å; I380-L409 HydrophobicContact CB-CG 4.43Å; I380-L409 PolarHBondContact N-O 2.8Å; I380-L409 VanDerWaalsContact N-O 3.12Å; I380-L409 PolarHBondContact O-N 2.74Å; L409-E411 HydrophobicContact CD1-CB 4.29Å
410	N	98	Very high	92.8	Very high	16 Å²	16	32.9 Å²	32.9	9%	0.086	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	104.5	165.6	-178.6	35.9	0	0	0	107.8	R64 Q65 W67 R379 W408	R64-N410 WeakPolarHBondContact CA-O 3.31Å; Q65-N410 HydrophobicContact CB-CB 4.35Å; Q65-N410 PolarHBondContact N-O 3.39Å; Q65-N410 PolarHBondContact O-N 2.88Å; Q65-N410 PolarHBondContact OE1-ND2 3.35Å; Q65-N410 VanDerWaalsContact OE1-ND2 3.1Å; W67-N410 HydrophobicContact CH2-CB 4.05Å; W67-N410 HydrophobicContact CZ3-CB 3.63Å; R379-N410 HydrophobicContact CG-CB 4.46Å; W408-N410 HydrophobicContact CZ3-CB 3.97Å
411	E	96.4	Very high	92.5	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.9	166.2	-179.1	169.3	109.4	0	0	108.6	V62 Y63 R64 R97 F376 A377 K378 L409	V62-E411 HydrophobicContact CG1-CG 3.6Å; Y63-E411 CarbonylContact O-C 3.54Å; Y63-E411 WeakPolarHBondContact O-CA 3.3Å; R64-E411 HydrophobicContact CG-CB 4.4Å; R64-E411 IonicContact CZ-OE2 2.93Å; R64-E411 IonicContact NE-OE2 3.03Å; R64-E411 PolarHBondContact NE-OE2 3.41Å; R64-E411 IonicContact NH2-OE2 2.84Å; R64-E411 PolarHBondContact NH2-OE2 3.2Å; R97-E411 IonicContact CZ-OE1 2.88Å; R97-E411 IonicContact NE-OE1 2.77Å; R97-E411 PolarHBondContact NE-OE1 3.22Å; R97-E411 IonicContact NH2-OE1 3.27Å; R97-E411 PolarHBondContact NH2-OE1 3.29Å; F376-E411 HydrophobicContact CE2-CG 4Å; F376-E411 WeakPolarHBondContact CE2-O 3.35Å; F376-E411 HydrophobicContact CZ-CG 4.33Å; A377-E411 CarbonylContact C-O 3.56Å; A377-E411 WeakPolarHBondContact CA-O 3.41Å; K378-E411 HydrophobicContact CB-CB 4.24Å; K378-E411 PolarHBondContact N-O 2.86Å; K378-E411 PolarHBondContact O-N 2.86Å; L409-E411 HydrophobicContact CD1-CB 4.29Å
412	T	95.2	Very high	91.9	Very high	25 Å²	25	35.4 Å²	35.4	15%	0.153	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.8	-174.7	-171.8	0	0	0	0	111	V62 Y63 F376	V62-T412 WeakPolarHBondContact CA-O 3.28Å; Y63-T412 PolarHBondContact N-O 3.28Å; Y63-T412 PolarHBondContact O-N 3.43Å; F376-T412 VanDerWaalsContact O-CA 3.28Å; F376-T412 WeakPolarHBondContact O-CA 3.46Å; F376-T412 WeakPolarHBondContact O-CB 3.39Å; F376-T412 PolarHBondContact O-OG1 3.25Å
413	A	91.4	Very high	91.3	Very high	7 Å²	7	35.5 Å²	35.5	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132	161.7	0	0	0	0	0	107.8	A60 V62 N375 F376	A60-A413 HydrophobicContact CB-CB 4.37Å; V62-A413 HydrophobicContact CB-CB 4.48Å; V62-A413 HydrophobicContact CG2-CB 3.94Å; N375-A413 WeakPolarHBondContact CA-O 3.4Å; N375-A413 PolarHBondContact OD1-O 3.09Å; F376-A413 HydrophobicContact CD1-CB 3.99Å; F376-A413 HydrophobicContact CE1-CB 3.37Å; F376-A413 HydrophobicContact CZ-CB 4.02Å; F376-A413 PolarHBondContact N-O 2.99Å; F376-A413 VanDerWaalsContact N-O 3.14Å; F376-A413 PolarHBondContact O-N 2.87Å
414	T	84.8	Confident	90.6	Very high	88 Å²	88	37.4 Å²	37.4	54%	0.54	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.5	175.6	55.5	0	0	0	0	108.3	N375 D416	N375-T414 WeakPolarHBondContact OD1-CG2 3.48Å; T414-D416 PolarHBondContact O-N 3.26Å; T414-D416 VanDerWaalsContact O-N 3.17Å
415	L	83.5	Confident	89.7	Confident	8 Å²	8	45 Å²	45	4%	0.042	23%	0.225	C	C	.	.			trans	-53.3	118	172.3	-171.2	68.2	0	0	0	110.8	L278 K279 I281 L374 T419 A420	L278-L415 HydrophobicContact CD2-CB 4.11Å; L278-L415 HydrophobicContact CD2-CD2 4.1Å; L278-L415 HydrophobicContact CG-CD2 4.41Å; K279-L415 WeakPolarHBondContact CE-O 3.47Å; K279-L415 PolarHBondContact NZ-O 3.28Å; I281-L415 HydrophobicContact CD1-CD2 3.77Å; L374-L415 HydrophobicContact CB-CD2 4.42Å; L374-L415 HydrophobicContact CD1-CD2 4.33Å; L374-L415 WeakPolarHBondContact O-CB 3.16Å; L374-L415 PolarHBondContact O-N 2.87Å; L415-T419 HydrophobicContact CD1-CG2 3.52Å; L415-A420 HydrophobicContact CD2-CB 3.59Å; L415-A420 HydrophobicContact CG-CB 3.86Å
416	D	86.1	Confident	88.5	Confident	55 Å²	55	48.9 Å²	48.9	29%	0.294	24%	0.243	S	C	.	.			trans	-77.3	167.7	172.9	67.9	87.1	0	0	0	111.2	T414 E418 T419 A420	T414-D416 PolarHBondContact O-N 3.26Å; T414-D416 VanDerWaalsContact O-N 3.17Å; D416-E418 VanDerWaalsContact C-N 3.34Å; D416-E418 PolarHBondContact O-N 2.85Å; D416-E418 WeakPolarHBondContact OD1-CA 3.29Å; D416-E418 VanDerWaalsContact OD1-CB 3.32Å; D416-E418 WeakPolarHBondContact OD1-CB 3.3Å; D416-E418 PolarHBondContact OD1-N 3.18Å; D416-T419 VanDerWaalsContact CG-OG1 3.27Å; D416-T419 PolarHBondContact OD1-N 2.79Å; D416-T419 PolarHBondContact OD1-OG1 3.27Å; D416-T419 VanDerWaalsContact OD2-CB 3.26Å; D416-T419 WeakPolarHBondContact OD2-CB 3.4Å; D416-T419 PolarHBondContact OD2-OG1 3.25Å; D416-A420 VanDerWaalsContact O-CB 3.27Å; D416-A420 WeakPolarHBondContact O-CB 3.37Å; D416-A420 PolarHBondContact O-N 2.85Å
417	D	87.1	Confident	87.3	Confident	114 Å²	114	50 Å²	50	61%	0.61	25%	0.249	S	C	*	.	H	α-helix	trans	-67.9	-34.1	-174.4	-65.5	-33.6	0	0	0	112.4	K279 A420 E421	K279-D417 WeakPolarHBondContact CD-OD1 3.39Å; K279-D417 VanDerWaalsContact CE-OD1 3.28Å; K279-D417 WeakPolarHBondContact CE-OD1 3.3Å; K279-D417 VanDerWaalsContact NZ-N 3.16Å; K279-D417 IonicContact NZ-OD1 3.13Å; K279-D417 PolarHBondContact NZ-OD1 2.81Å; D417-A420 PolarHBondContact O-N 3.4Å; D417-E421 WeakPolarHBondContact O-CG 3.03Å; D417-E421 PolarHBondContact O-N 2.88Å
418	E	84.7	Confident	86.2	Confident	162 Å²	162	51.3 Å²	51.3	76%	0.757	26%	0.256	S	S	*	.	H	α-helix	trans	-68.8	-49	-180	-176.6	177.4	-178.1	0	0	110.2	D416 A420 E421 M422	D416-E418 VanDerWaalsContact C-N 3.34Å; D416-E418 PolarHBondContact O-N 2.85Å; D416-E418 WeakPolarHBondContact OD1-CA 3.29Å; D416-E418 VanDerWaalsContact OD1-CB 3.32Å; D416-E418 WeakPolarHBondContact OD1-CB 3.3Å; D416-E418 PolarHBondContact OD1-N 3.18Å; E418-A420 VanDerWaalsContact C-N 3.31Å; E418-A420 PolarHBondContact O-N 2.78Å; E418-E421 PolarHBondContact O-N 2.95Å; E418-M422 WeakPolarHBondContact O-CB 3.47Å; E418-M422 PolarHBondContact O-N 3.22Å
419	T	82.9	Confident	85	Confident	30 Å²	30	52.9 Å²	52.9	18%	0.184	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-37.4	175.8	-53.5	0	0	0	0	111.4	L415 D416 M422 F423	L415-T419 HydrophobicContact CD1-CG2 3.52Å; D416-T419 VanDerWaalsContact CG-OG1 3.27Å; D416-T419 PolarHBondContact OD1-N 2.79Å; D416-T419 PolarHBondContact OD1-OG1 3.27Å; D416-T419 VanDerWaalsContact OD2-CB 3.26Å; D416-T419 WeakPolarHBondContact OD2-CB 3.4Å; D416-T419 PolarHBondContact OD2-OG1 3.25Å; T419-M422 HydrophobicContact CG2-CE 4.22Å; T419-M422 PolarHBondContact O-N 3.22Å; T419-F423 WeakPolarHBondContact O-CB 3.41Å; T419-F423 PolarHBondContact O-N 3.25Å
420	A	86.6	Confident	83.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-46.7	175.7	0	0	0	0	0	112.6	K279 I281 L415 D416 D417 E418 F423 K424	K279-A420 HydrophobicContact CB-CB 4.34Å; K279-A420 HydrophobicContact CD-CB 3.96Å; I281-A420 HydrophobicContact CD1-CB 4.45Å; L415-A420 HydrophobicContact CD2-CB 3.59Å; L415-A420 HydrophobicContact CG-CB 3.86Å; D416-A420 VanDerWaalsContact O-CB 3.27Å; D416-A420 WeakPolarHBondContact O-CB 3.37Å; D416-A420 PolarHBondContact O-N 2.85Å; D417-A420 PolarHBondContact O-N 3.4Å; E418-A420 VanDerWaalsContact C-N 3.31Å; E418-A420 PolarHBondContact O-N 2.78Å; A420-F423 PolarHBondContact O-N 3.33Å; A420-K424 WeakPolarHBondContact O-CG 3.39Å; A420-K424 PolarHBondContact O-N 3.05Å
421	E	85.9	Confident	82.7	Confident	110 Å²	110	60.4 Å²	60.4	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-67.2	-37.2	178.5	-71.6	-56.2	128.3	0	0	111.9	D417 E418 K424 K425	D417-E421 WeakPolarHBondContact O-CG 3.03Å; D417-E421 PolarHBondContact O-N 2.88Å; E418-E421 PolarHBondContact O-N 2.95Å; E421-K424 IonicContact OE1-NZ 3.64Å; E421-K424 PolarHBondContact OE1-NZ 2.87Å; E421-K425 VanDerWaalsContact O-CB 3.29Å; E421-K425 WeakPolarHBondContact O-CB 2.89Å; E421-K425 PolarHBondContact O-N 2.82Å
422	M	81.9	Confident	81.6	Confident	77 Å²	77	65 Å²	65	38%	0.379	32%	0.319	S	S	.	.	H	α-helix	trans	-59.4	-51.3	171.2	-175.5	-176.7	71.8	0	0	111.1	E418 T419 K424 K425 E426	E418-M422 WeakPolarHBondContact O-CB 3.47Å; E418-M422 PolarHBondContact O-N 3.22Å; T419-M422 HydrophobicContact CG2-CE 4.22Å; T419-M422 PolarHBondContact O-N 3.22Å; M422-K424 PolarHBondContact O-N 3.38Å; M422-K425 PolarHBondContact O-N 3.4Å; M422-K425 VanDerWaalsContact O-N 3.14Å; M422-E426 HydrophobicContact CG-CG 4.43Å; M422-E426 WeakPolarHBondContact O-CG 3.23Å; M422-E426 PolarHBondContact O-N 3.03Å
423	F	82.6	Confident	80.9	Confident	15 Å²	15	69.1 Å²	69.1	7%	0.066	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-44.9	179.4	-174	-91	0	0	0	112.1	I281 E367 F372 L374 T419 A420 K425 L427 I428	I281-F423 HydrophobicContact CD1-CD1 3.76Å; I281-F423 HydrophobicContact CD1-CE1 4.47Å; I281-F423 HydrophobicContact CG2-CD1 4.5Å; I281-F423 HydrophobicContact CG2-CE1 4.17Å; E367-F423 HydrophobicContact CB-CZ 4.16Å; E367-F423 HydrophobicContact CG-CE1 3.86Å; E367-F423 HydrophobicContact CG-CZ 3.81Å; F372-F423 AromaticContact CD2-CE2 3.91Å; F372-F423 HydrophobicContact CD2-CE2 3.91Å; L374-F423 HydrophobicContact CD1-CD1 4.34Å; L374-F423 HydrophobicContact CD1-CE1 4.11Å; L374-F423 HydrophobicContact CD1-CZ 4.25Å; L374-F423 HydrophobicContact CD2-CD2 4.34Å; L374-F423 HydrophobicContact CD2-CE2 4.22Å; T419-F423 WeakPolarHBondContact O-CB 3.41Å; T419-F423 PolarHBondContact O-N 3.25Å; A420-F423 PolarHBondContact O-N 3.33Å; F423-K425 PolarHBondContact O-N 2.93Å; F423-L427 HydrophobicContact CD2-CD1 3.86Å; F423-L427 HydrophobicContact CE2-CD1 3.43Å; F423-L427 VanDerWaalsContact CE2-CD1 3.43Å; F423-L427 HydrophobicContact CZ-CD1 3.91Å; F423-L427 PolarHBondContact O-N 3.25Å; F423-L427 VanDerWaalsContact O-N 3.08Å; F423-I428 HydrophobicContact CD1-CD1 3.85Å; F423-I428 HydrophobicContact CD1-CG1 4.1Å; F423-I428 HydrophobicContact CE1-CD1 3.81Å; F423-I428 HydrophobicContact CE1-CG1 3.92Å
424	K	83.6	Confident	80.2	Confident	49 Å²	49	71.7 Å²	71.7	21%	0.213	35%	0.35	C	S	.	.	I	π-helix	trans	-60	-44.9	175.1	-74	173.8	-169.6	169.1	0	112	K279 I281 A420 E421 M422 I428 S429	K279-K424 WeakPolarHBondContact O-CE 3.44Å; K279-K424 PolarHBondContact O-NZ 3.04Å; I281-K424 HydrophobicContact CD1-CG 4.21Å; I281-K424 HydrophobicContact CG1-CG 4Å; A420-K424 WeakPolarHBondContact O-CG 3.39Å; A420-K424 PolarHBondContact O-N 3.05Å; E421-K424 IonicContact OE1-NZ 3.64Å; E421-K424 PolarHBondContact OE1-NZ 2.87Å; M422-K424 PolarHBondContact O-N 3.38Å; K424-I428 HydrophobicContact CG-CD1 4.07Å; K424-I428 CarbonylContact O-C 3.49Å; K424-I428 PolarHBondContact O-N 3.2Å; K424-S429 WeakPolarHBondContact O-CB 3.46Å; K424-S429 PolarHBondContact O-N 2.82Å
425	K	80.1	Confident	79.9	Confident	160 Å²	160	71.3 Å²	71.3	70%	0.696	34%	0.342	S	S	*	.	I	π-helix	trans	-68.5	-43.5	-176.8	-175.4	-179.4	176.3	-173.1	0	111.7	E421 M422 F423 S429	E421-K425 VanDerWaalsContact O-CB 3.29Å; E421-K425 WeakPolarHBondContact O-CB 2.89Å; E421-K425 PolarHBondContact O-N 2.82Å; M422-K425 PolarHBondContact O-N 3.4Å; M422-K425 VanDerWaalsContact O-N 3.14Å; F423-K425 PolarHBondContact O-N 2.93Å; K425-S429 PolarHBondContact O-OG 2.82Å
426	E	74.1	Confident	80	Confident	81 Å²	81	75.5 Å²	75.5	38%	0.379	36%	0.364	S	S	.	.	I	π-helix	trans	-77.7	-40.8	-173.2	-69.2	-172.1	166.8	0	0	113.2	M422 R430	M422-E426 HydrophobicContact CG-CG 4.43Å; M422-E426 WeakPolarHBondContact O-CG 3.23Å; M422-E426 PolarHBondContact O-N 3.03Å; E426-R430 WeakPolarHBondContact O-CD 3.26Å; E426-R430 PolarHBondContact O-NE 3.07Å
427	L	73.8	Confident	79.9	Confident	28 Å²	28	76.8 Å²	76.8	15%	0.147	37%	0.37	C	S	.	.	I	π-helix	trans	-108.8	-58.8	-173.5	-69.6	165.7	0	0	0	112	F423 S429 I431	F423-L427 HydrophobicContact CD2-CD1 3.86Å; F423-L427 HydrophobicContact CE2-CD1 3.43Å; F423-L427 VanDerWaalsContact CE2-CD1 3.43Å; F423-L427 HydrophobicContact CZ-CD1 3.91Å; F423-L427 PolarHBondContact O-N 3.25Å; F423-L427 VanDerWaalsContact O-N 3.08Å; L427-S429 PolarHBondContact O-N 2.84Å; L427-I431 WeakPolarHBondContact O-CG1 3.36Å; L427-I431 PolarHBondContact O-N 2.91Å
428	I	74.1	Confident	79.7	Confident	28 Å²	28	71.6 Å²	71.6	14%	0.144	34%	0.342	C	S	.	.	I	π-helix	trans	-67.8	-43.2	-169	-56.3	-177.4	0	0	0	112.1	I281 F423 K424 R430 I431 Q432	I281-I428 HydrophobicContact CB-CD1 4.24Å; I281-I428 HydrophobicContact CD1-CD1 4.39Å; I281-I428 HydrophobicContact CG1-CD1 3.75Å; I281-I428 HydrophobicContact CG2-CD1 3.82Å; F423-I428 HydrophobicContact CD1-CD1 3.85Å; F423-I428 HydrophobicContact CD1-CG1 4.1Å; F423-I428 HydrophobicContact CE1-CD1 3.81Å; F423-I428 HydrophobicContact CE1-CG1 3.92Å; K424-I428 HydrophobicContact CG-CD1 4.07Å; K424-I428 CarbonylContact O-C 3.49Å; K424-I428 PolarHBondContact O-N 3.2Å; I428-R430 VanDerWaalsContact C-N 3.28Å; I428-R430 PolarHBondContact O-N 3.43Å; I428-I431 PolarHBondContact O-N 3Å; I428-Q432 VanDerWaalsContact CG2-CD 3.47Å; I428-Q432 HydrophobicContact CG2-CG 3.88Å; I428-Q432 WeakPolarHBondContact O-CB 3.26Å; I428-Q432 WeakPolarHBondContact O-CG 3.35Å; I428-Q432 PolarHBondContact O-N 3.21Å
429	S	74.4	Confident	79.7	Confident	46 Å²	46	69.5 Å²	69.5	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-33.8	-174.1	80	0	0	0	0	112.4	K424 K425 L427 M433	K424-S429 WeakPolarHBondContact O-CB 3.46Å; K424-S429 PolarHBondContact O-N 2.82Å; K425-S429 PolarHBondContact O-OG 2.82Å; L427-S429 PolarHBondContact O-N 2.84Å; S429-M433 WeakPolarHBondContact O-CB 3.02Å; S429-M433 PolarHBondContact O-N 3.16Å
430	R	73.2	Confident	80.1	Confident	151 Å²	151	72 Å²	72	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-68.5	-43.7	177.1	-64.2	-175.4	-177.9	179.6	4	110.8	E426 I428 L434	E426-R430 WeakPolarHBondContact O-CD 3.26Å; E426-R430 PolarHBondContact O-NE 3.07Å; I428-R430 VanDerWaalsContact C-N 3.28Å; I428-R430 PolarHBondContact O-N 3.43Å; R430-L434 WeakPolarHBondContact O-CG 3.35Å; R430-L434 PolarHBondContact O-N 3.24Å
431	I	73.6	Confident	80.2	Confident	31 Å²	31	74.2 Å²	74.2	16%	0.159	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-52.2	177.8	-63.4	173.9	0	0	0	109.9	I35 V39 T369 L427 I428 M433 L434 E435	I35-I431 HydrophobicContact CD1-CG2 3.94Å; I35-I431 HydrophobicContact CG1-CG1 4.32Å; I35-I431 HydrophobicContact CG1-CG2 4.32Å; I35-I431 HydrophobicContact CG2-CD1 4.02Å; I35-I431 HydrophobicContact CG2-CG1 3.95Å; I35-I431 HydrophobicContact CG2-CG2 4.26Å; V39-I431 HydrophobicContact CG2-CD1 4.45Å; T369-I431 HydrophobicContact CG2-CD1 4.04Å; L427-I431 WeakPolarHBondContact O-CG1 3.36Å; L427-I431 PolarHBondContact O-N 2.91Å; I428-I431 PolarHBondContact O-N 3Å; I431-M433 VanDerWaalsContact C-N 3.31Å; I431-M433 PolarHBondContact O-N 3.22Å; I431-L434 WeakPolarHBondContact O-CB 3.37Å; I431-L434 PolarHBondContact O-N 2.91Å; I431-L434 VanDerWaalsContact O-N 3.14Å; I431-E435 PolarHBondContact O-N 3.2Å
432	Q	75	Confident	80.4	Confident	98 Å²	98	71.6 Å²	71.6	46%	0.458	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-37.3	178.4	-74.4	-178.6	-13.8	0	0	112.6	I428 L434 E435 I436	I428-Q432 VanDerWaalsContact CG2-CD 3.47Å; I428-Q432 HydrophobicContact CG2-CG 3.88Å; I428-Q432 WeakPolarHBondContact O-CB 3.26Å; I428-Q432 WeakPolarHBondContact O-CG 3.35Å; I428-Q432 PolarHBondContact O-N 3.21Å; Q432-L434 VanDerWaalsContact C-N 3.33Å; Q432-L434 PolarHBondContact O-N 2.84Å; Q432-E435 PolarHBondContact O-N 2.94Å; Q432-I436 WeakPolarHBondContact O-CB 3.46Å; Q432-I436 WeakPolarHBondContact O-CD1 3.36Å; Q432-I436 WeakPolarHBondContact O-CG1 3.46Å; Q432-I436 PolarHBondContact O-N 3.12Å
433	M	78.9	Confident	80.9	Confident	113 Å²	113	70 Å²	70	56%	0.557	35%	0.351	S	S	*	.	H	α-helix	trans	-61.9	-42.9	176.6	-173.7	-167.9	-58.5	0	0	111.3	S429 I431 I436 I437	S429-M433 WeakPolarHBondContact O-CB 3.02Å; S429-M433 PolarHBondContact O-N 3.16Å; I431-M433 VanDerWaalsContact C-N 3.31Å; I431-M433 PolarHBondContact O-N 3.22Å; M433-I436 PolarHBondContact O-N 3.08Å; M433-I437 HydrophobicContact CG-CD1 3.85Å; M433-I437 HydrophobicContact CG-CG1 4.49Å; M433-I437 WeakPolarHBondContact O-CB 3.41Å; M433-I437 WeakPolarHBondContact O-CD1 3.45Å; M433-I437 WeakPolarHBondContact O-CG1 3.21Å; M433-I437 PolarHBondContact O-N 2.71Å; M433-I437 HydrophobicContact SD-CD1 4.41Å
434	L	77.5	Confident	81.3	Confident	61 Å²	61	73.3 Å²	73.3	32%	0.319	37%	0.373	S	S	.	.	H	α-helix	trans	-63.1	-46.4	176.7	-71	170.9	0	0	0	111	I34 I35 R430 I431 Q432 I436 I437 Q438	I34-L434 HydrophobicContact CG2-CD1 4.32Å; I35-L434 HydrophobicContact CD1-CD1 4.44Å; I35-L434 HydrophobicContact CG1-CD1 3.9Å; R430-L434 WeakPolarHBondContact O-CG 3.35Å; R430-L434 PolarHBondContact O-N 3.24Å; I431-L434 WeakPolarHBondContact O-CB 3.37Å; I431-L434 PolarHBondContact O-N 2.91Å; I431-L434 VanDerWaalsContact O-N 3.14Å; Q432-L434 VanDerWaalsContact C-N 3.33Å; Q432-L434 PolarHBondContact O-N 2.84Å; L434-I436 PolarHBondContact O-N 3.48Å; L434-I437 PolarHBondContact O-N 3.43Å; L434-Q438 WeakPolarHBondContact O-CG 3.23Å; L434-Q438 PolarHBondContact O-N 3.1Å
435	E	78.9	Confident	81.8	Confident	80 Å²	80	71 Å²	71	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-44.6	176.7	-70.4	-179.3	170.7	0	0	112.4	I431 Q432 Q438 Q439	I431-E435 PolarHBondContact O-N 3.2Å; Q432-E435 PolarHBondContact O-N 2.94Å; E435-Q438 WeakPolarHBondContact O-CB 3.39Å; E435-Q438 PolarHBondContact O-N 3.08Å; E435-Q439 WeakPolarHBondContact O-CB 3.36Å; E435-Q439 VanDerWaalsContact O-CG 3.29Å; E435-Q439 WeakPolarHBondContact O-CG 3.47Å; E435-Q439 PolarHBondContact O-N 2.91Å
436	I	84.3	Confident	82.4	Confident	95 Å²	95	67.4 Å²	67.4	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-63.9	-44.3	178.2	-69.9	164.9	0	0	0	110.3	Q432 M433 L434 Q438 Q439 V440	Q432-I436 WeakPolarHBondContact O-CB 3.46Å; Q432-I436 WeakPolarHBondContact O-CD1 3.36Å; Q432-I436 WeakPolarHBondContact O-CG1 3.46Å; Q432-I436 PolarHBondContact O-N 3.12Å; M433-I436 PolarHBondContact O-N 3.08Å; L434-I436 PolarHBondContact O-N 3.48Å; I436-Q438 VanDerWaalsContact C-N 3.32Å; I436-Q438 PolarHBondContact O-N 2.85Å; I436-Q439 PolarHBondContact O-N 3.17Å; I436-V440 HydrophobicContact CG2-CG2 4.11Å; I436-V440 WeakPolarHBondContact O-CB 3.32Å; I436-V440 WeakPolarHBondContact O-CG2 3.25Å; I436-V440 PolarHBondContact O-N 2.91Å
437	I	84.8	Confident	83.3	Confident	82 Å²	82	65 Å²	65	42%	0.421	35%	0.347	S	S	.	.	H	α-helix	trans	-60	-44.5	177.4	-72.3	167.5	0	0	0	110.3	M433 L434 V440 L441	M433-I437 HydrophobicContact CG-CD1 3.85Å; M433-I437 HydrophobicContact CG-CG1 4.49Å; M433-I437 WeakPolarHBondContact O-CB 3.41Å; M433-I437 WeakPolarHBondContact O-CD1 3.45Å; M433-I437 WeakPolarHBondContact O-CG1 3.21Å; M433-I437 PolarHBondContact O-N 2.71Å; M433-I437 HydrophobicContact SD-CD1 4.41Å; L434-I437 PolarHBondContact O-N 3.43Å; I437-V440 PolarHBondContact O-N 3.34Å; I437-L441 HydrophobicContact CG2-CD1 3.73Å; I437-L441 HydrophobicContact CG2-CG 4.37Å; I437-L441 WeakPolarHBondContact O-CB 3.28Å; I437-L441 VanDerWaalsContact O-CG 3.27Å; I437-L441 WeakPolarHBondContact O-CG 3.36Å; I437-L441 PolarHBondContact O-N 3.3Å
438	Q	83.1	Confident	84.2	Confident	5 Å²	5	66.3 Å²	66.3	2%	0.023	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-50.3	175.9	-70.6	162.7	-5.5	0	0	111.7	L27 F28 L434 E435 I436 V440 L441 L442	L27-Q438 HydrophobicContact CB-CG 3.92Å; L27-Q438 PolarHBondContact O-NE2 3.07Å; F28-Q438 HydrophobicContact CD1-CB 4.47Å; F28-Q438 HydrophobicContact CD2-CB 4.3Å; F28-Q438 HydrophobicContact CE1-CB 4.17Å; F28-Q438 HydrophobicContact CE2-CB 3.97Å; F28-Q438 HydrophobicContact CZ-CB 3.91Å; L434-Q438 WeakPolarHBondContact O-CG 3.23Å; L434-Q438 PolarHBondContact O-N 3.1Å; E435-Q438 WeakPolarHBondContact O-CB 3.39Å; E435-Q438 PolarHBondContact O-N 3.08Å; I436-Q438 VanDerWaalsContact C-N 3.32Å; I436-Q438 PolarHBondContact O-N 2.85Å; Q438-V440 PolarHBondContact O-N 3.21Å; Q438-L441 PolarHBondContact O-N 2.98Å; Q438-L442 WeakPolarHBondContact O-CB 3.27Å; Q438-L442 PolarHBondContact O-N 3.46Å
439	Q	85.3	Confident	85.1	Confident	118 Å²	118	68.7 Å²	68.7	55%	0.551	37%	0.366	S	S	*	.	H	α-helix	trans	-62.4	-42.1	-179.6	-72.9	177.7	5.4	0	0	112.1	F28 E435 I436 G443	F28-Q439 HydrophobicContact CZ-CG 4.19Å; E435-Q439 WeakPolarHBondContact O-CB 3.36Å; E435-Q439 VanDerWaalsContact O-CG 3.29Å; E435-Q439 WeakPolarHBondContact O-CG 3.47Å; E435-Q439 PolarHBondContact O-N 2.91Å; I436-Q439 PolarHBondContact O-N 3.17Å; Q439-G443 PolarHBondContact O-N 3.12Å
440	V	89.8	Confident	86	Confident	82 Å²	82	69.7 Å²	69.7	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-66.6	-46.6	177.9	170.5	0	0	0	0	110.8	I436 I437 Q438 L442 G443 V444	I436-V440 HydrophobicContact CG2-CG2 4.11Å; I436-V440 WeakPolarHBondContact O-CB 3.32Å; I436-V440 WeakPolarHBondContact O-CG2 3.25Å; I436-V440 PolarHBondContact O-N 2.91Å; I437-V440 PolarHBondContact O-N 3.34Å; Q438-V440 PolarHBondContact O-N 3.21Å; V440-L442 VanDerWaalsContact C-N 3.34Å; V440-L442 PolarHBondContact O-N 2.93Å; V440-G443 PolarHBondContact O-N 2.98Å; V440-V444 HydrophobicContact CG1-CG2 4.09Å; V440-V444 VanDerWaalsContact O-CB 3.29Å; V440-V444 WeakPolarHBondContact O-CB 3.33Å; V440-V444 VanDerWaalsContact O-CG2 3.24Å; V440-V444 WeakPolarHBondContact O-CG2 3.05Å; V440-V444 PolarHBondContact O-N 3.38Å
441	L	88.8	Confident	87	Confident	49 Å²	49	68.3 Å²	68.3	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-60.1	-45	177.6	-76.5	169.3	0	0	0	111.3	V20 L27 I437 Q438 G445	V20-L441 HydrophobicContact CG1-CD2 4.22Å; V20-L441 WeakPolarHBondContact CG1-O 3.29Å; L27-L441 HydrophobicContact CD1-CD1 3.47Å; L27-L441 VanDerWaalsContact CD1-CD1 3.47Å; I437-L441 HydrophobicContact CG2-CD1 3.73Å; I437-L441 HydrophobicContact CG2-CG 4.37Å; I437-L441 WeakPolarHBondContact O-CB 3.28Å; I437-L441 VanDerWaalsContact O-CG 3.27Å; I437-L441 WeakPolarHBondContact O-CG 3.36Å; I437-L441 PolarHBondContact O-N 3.3Å; Q438-L441 PolarHBondContact O-N 2.98Å; L441-G445 PolarHBondContact O-N 3.16Å
442	L	90.3	Very high	87.8	Confident	54 Å²	54	68 Å²	68	28%	0.283	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-48.8	177.5	-175	65.3	0	0	0	111.4	A21 F28 Q438 V440 G445 I446	A21-L442 HydrophobicContact CB-CD1 4.4Å; A21-L442 WeakPolarHBondContact O-CD1 3.47Å; F28-L442 HydrophobicContact CE2-CB 4.33Å; F28-L442 HydrophobicContact CE2-CD2 3.77Å; F28-L442 HydrophobicContact CZ-CD2 4.41Å; Q438-L442 WeakPolarHBondContact O-CB 3.27Å; Q438-L442 PolarHBondContact O-N 3.46Å; V440-L442 VanDerWaalsContact C-N 3.34Å; V440-L442 PolarHBondContact O-N 2.93Å; L442-G445 PolarHBondContact O-N 3.24Å; L442-I446 HydrophobicContact CD1-CD1 3.9Å; L442-I446 HydrophobicContact CD1-CG1 4.38Å; L442-I446 HydrophobicContact CG-CD1 3.88Å; L442-I446 WeakPolarHBondContact O-CB 3.44Å; L442-I446 VanDerWaalsContact O-CG1 3.27Å; L442-I446 WeakPolarHBondContact O-CG1 3.49Å; L442-I446 PolarHBondContact O-N 2.51Å
443	G	91.9	Very high	88.6	Confident	44 Å²	44	66 Å²	66	45%	0.454	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-46.1	-178.9	0	0	0	0	0	113	Q439 V440 G447	Q439-G443 PolarHBondContact O-N 3.12Å; V440-G443 PolarHBondContact O-N 2.98Å; G443-G447 PolarHBondContact O-N 3.43Å
444	V	93	Very high	89.1	Confident	85 Å²	85	65.1 Å²	65.1	52%	0.515	36%	0.362	S	S	.	.	H	α-helix	trans	-66	-43.6	176.7	173.3	0	0	0	0	110.7	V440 I446 G447 V448	V440-V444 HydrophobicContact CG1-CG2 4.09Å; V440-V444 VanDerWaalsContact O-CB 3.29Å; V440-V444 WeakPolarHBondContact O-CB 3.33Å; V440-V444 VanDerWaalsContact O-CG2 3.24Å; V440-V444 WeakPolarHBondContact O-CG2 3.05Å; V440-V444 PolarHBondContact O-N 3.38Å; V444-I446 PolarHBondContact O-N 2.89Å; V444-G447 PolarHBondContact O-N 2.72Å; V444-V448 HydrophobicContact CG1-CG2 4.2Å; V444-V448 WeakPolarHBondContact O-CB 3.26Å; V444-V448 VanDerWaalsContact O-CG2 3.31Å; V444-V448 WeakPolarHBondContact O-CG2 3.09Å; V444-V448 PolarHBondContact O-N 2.75Å
445	G	92.2	Very high	89.6	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-58.1	-49.6	177.6	0	0	0	0	0	112.4	G17 L441 L442 V448 F449	G17-G445 CarbonylContact C-O 3.39Å; G17-G445 WeakPolarHBondContact CA-O 3.5Å; G17-G445 CarbonylContact O-C 3.57Å; G17-G445 VanDerWaalsContact O-CA 3.31Å; G17-G445 WeakPolarHBondContact O-CA 3.23Å; G17-G445 VanDerWaalsContact O-O 3.12Å; L441-G445 PolarHBondContact O-N 3.16Å; L442-G445 PolarHBondContact O-N 3.24Å; G445-V448 PolarHBondContact O-N 3.3Å; G445-F449 VanDerWaalsContact O-CB 3.3Å; G445-F449 WeakPolarHBondContact O-CB 3.23Å; G445-F449 PolarHBondContact O-N 2.84Å
446	I	93.1	Very high	90.1	Very high	83 Å²	83	61.7 Å²	61.7	43%	0.426	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-44.9	176.7	-66.9	170	0	0	0	110.6	A21 L442 V444 V448 F449 V450	A21-I446 HydrophobicContact CB-CG1 4.08Å; L442-I446 HydrophobicContact CD1-CD1 3.9Å; L442-I446 HydrophobicContact CD1-CG1 4.38Å; L442-I446 HydrophobicContact CG-CD1 3.88Å; L442-I446 WeakPolarHBondContact O-CB 3.44Å; L442-I446 VanDerWaalsContact O-CG1 3.27Å; L442-I446 WeakPolarHBondContact O-CG1 3.49Å; L442-I446 PolarHBondContact O-N 2.51Å; V444-I446 PolarHBondContact O-N 2.89Å; I446-V448 PolarHBondContact O-N 3.3Å; I446-F449 PolarHBondContact O-N 3.08Å; I446-V450 HydrophobicContact CG2-CG2 4.26Å; I446-V450 VanDerWaalsContact O-CG2 3.31Å; I446-V450 WeakPolarHBondContact O-CG2 3.47Å; I446-V450 PolarHBondContact O-N 2.83Å
447	G	93.1	Very high	90.2	Very high	31 Å²	31	62.8 Å²	62.8	32%	0.32	35%	0.35	S	S	.	.	H	α-helix	trans	-59	-49.1	179.1	0	0	0	0	0	112.7	G443 V444 V450 L451	G443-G447 PolarHBondContact O-N 3.43Å; V444-G447 PolarHBondContact O-N 2.72Å; G447-V450 PolarHBondContact O-N 3.33Å; G447-L451 WeakPolarHBondContact O-CB 3.5Å; G447-L451 VanDerWaalsContact O-CG 3.26Å; G447-L451 WeakPolarHBondContact O-CG 3.37Å; G447-L451 PolarHBondContact O-N 2.9Å
448	V	93	Very high	90.4	Very high	55 Å²	55	64.6 Å²	64.6	33%	0.333	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-44.2	177.2	172.8	0	0	0	0	110.8	V444 G445 I446 V450 L451 C452	V444-V448 HydrophobicContact CG1-CG2 4.2Å; V444-V448 WeakPolarHBondContact O-CB 3.26Å; V444-V448 VanDerWaalsContact O-CG2 3.31Å; V444-V448 WeakPolarHBondContact O-CG2 3.09Å; V444-V448 PolarHBondContact O-N 2.75Å; G445-V448 PolarHBondContact O-N 3.3Å; I446-V448 PolarHBondContact O-N 3.3Å; V448-V450 PolarHBondContact O-N 3.02Å; V448-L451 PolarHBondContact O-N 2.93Å; V448-C452 VanDerWaalsContact O-CB 3.27Å; V448-C452 WeakPolarHBondContact O-CB 3.33Å; V448-C452 PolarHBondContact O-N 3.22Å; V448-C452 PolarHBondContact O-SG 3.4Å; V448-C452 VanDerWaalsContact O-SG 3.36Å
449	F	93	Very high	90.4	Very high	78 Å²	78	66.1 Å²	66.1	34%	0.342	37%	0.368	S	S	.	.	H	α-helix	trans	-57.3	-50.7	177.7	177.6	-110.4	0	0	0	112.1	A14 A18 G445 I446 L453	A14-F449 HydrophobicContact CB-CD2 4.19Å; A14-F449 WeakPolarHBondContact O-CD2 3.32Å; A18-F449 HydrophobicContact CB-CD2 3.81Å; A18-F449 HydrophobicContact CB-CE2 3.98Å; G445-F449 VanDerWaalsContact O-CB 3.3Å; G445-F449 WeakPolarHBondContact O-CB 3.23Å; G445-F449 PolarHBondContact O-N 2.84Å; I446-F449 PolarHBondContact O-N 3.08Å; F449-L453 HydrophobicContact CD1-CD1 3.81Å; F449-L453 HydrophobicContact CD2-CD1 4.09Å; F449-L453 HydrophobicContact CE1-CD1 3.35Å; F449-L453 HydrophobicContact CE2-CD1 3.68Å; F449-L453 HydrophobicContact CE2-CG 4.37Å; F449-L453 HydrophobicContact CG-CD1 4.18Å; F449-L453 HydrophobicContact CZ-CD1 3.3Å; F449-L453 HydrophobicContact CZ-CG 4.41Å; F449-L453 WeakPolarHBondContact O-CB 3.43Å; F449-L453 WeakPolarHBondContact O-CG 3.34Å; F449-L453 PolarHBondContact O-N 2.89Å
450	V	93.2	Very high	90.3	Very high	67 Å²	67	65.9 Å²	65.9	41%	0.406	36%	0.362	S	S	.	.	H	α-helix	trans	-66.6	-45.2	-178	173.4	0	0	0	0	111.3	I446 G447 V448 C452 L453 L454	I446-V450 HydrophobicContact CG2-CG2 4.26Å; I446-V450 VanDerWaalsContact O-CG2 3.31Å; I446-V450 WeakPolarHBondContact O-CG2 3.47Å; I446-V450 PolarHBondContact O-N 2.83Å; G447-V450 PolarHBondContact O-N 3.33Å; V448-V450 PolarHBondContact O-N 3.02Å; V450-C452 PolarHBondContact O-N 2.65Å; V450-L453 PolarHBondContact O-N 3.49Å; V450-L454 HydrophobicContact CG1-CD1 3.82Å; V450-L454 HydrophobicContact CG1-CG 4.28Å; V450-L454 WeakPolarHBondContact O-CB 3.48Å; V450-L454 VanDerWaalsContact O-CG 3.32Å; V450-L454 WeakPolarHBondContact O-CG 3.2Å; V450-L454 PolarHBondContact O-N 2.96Å
451	L	93.5	Very high	89.8	Confident	123 Å²	123	71.3 Å²	71.3	64%	0.644	37%	0.374	S	S	*	.	H	α-helix	trans	-62.9	-43.1	179.5	-73.3	171.7	0	0	0	111.9	G447 V448 G455	G447-L451 WeakPolarHBondContact O-CB 3.5Å; G447-L451 VanDerWaalsContact O-CG 3.26Å; G447-L451 WeakPolarHBondContact O-CG 3.37Å; G447-L451 PolarHBondContact O-N 2.9Å; V448-L451 PolarHBondContact O-N 2.93Å; L451-G455 PolarHBondContact O-N 3.38Å
452	C	91.6	Very high	89.1	Confident	23 Å²	23	72 Å²	72	16%	0.155	38%	0.383	C	S	.	.	H	α-helix	trans	-67.5	-37.6	177.5	-73.8	0	0	0	0	112.3	L10 A14 V448 V450 Y456	L10-C452 WeakPolarHBondContact O-CB 3.32Å; A14-C452 HydrophobicContact CB-CB 3.92Å; V448-C452 VanDerWaalsContact O-CB 3.27Å; V448-C452 WeakPolarHBondContact O-CB 3.33Å; V448-C452 PolarHBondContact O-N 3.22Å; V448-C452 PolarHBondContact O-SG 3.4Å; V448-C452 VanDerWaalsContact O-SG 3.36Å; V450-C452 PolarHBondContact O-N 2.65Å; C452-Y456 WeakPolarHBondContact O-CB 3.39Å; C452-Y456 PolarHBondContact O-N 3.4Å
453	L	90.5	Very high	88.1	Confident	56 Å²	56	73.4 Å²	73.4	29%	0.293	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-48.6	173.5	-86	170.4	0	0	0	112.5	A14 F449 V450 G455 Y456 F457	A14-L453 HydrophobicContact CB-CG 4.36Å; F449-L453 HydrophobicContact CD1-CD1 3.81Å; F449-L453 HydrophobicContact CD2-CD1 4.09Å; F449-L453 HydrophobicContact CE1-CD1 3.35Å; F449-L453 HydrophobicContact CE2-CD1 3.68Å; F449-L453 HydrophobicContact CE2-CG 4.37Å; F449-L453 HydrophobicContact CG-CD1 4.18Å; F449-L453 HydrophobicContact CZ-CD1 3.3Å; F449-L453 HydrophobicContact CZ-CG 4.41Å; F449-L453 WeakPolarHBondContact O-CB 3.43Å; F449-L453 WeakPolarHBondContact O-CG 3.34Å; F449-L453 PolarHBondContact O-N 2.89Å; V450-L453 PolarHBondContact O-N 3.49Å; L453-G455 VanDerWaalsContact C-N 3.32Å; L453-G455 PolarHBondContact O-N 3.45Å; L453-Y456 WeakPolarHBondContact O-CB 3.39Å; L453-Y456 PolarHBondContact O-N 2.85Å; L453-Y456 VanDerWaalsContact O-N 3.13Å; L453-F457 HydrophobicContact CD2-CE2 4.26Å; L453-F457 WeakPolarHBondContact O-CD2 3.49Å; L453-F457 PolarHBondContact O-N 2.93Å
454	L	90.9	Very high	87	Confident	95 Å²	95	74.8 Å²	74.8	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-59.7	-45.4	176.7	-72.3	173	0	0	0	110.8	V450 Y456 F457 I458	V450-L454 HydrophobicContact CG1-CD1 3.82Å; V450-L454 HydrophobicContact CG1-CG 4.28Å; V450-L454 WeakPolarHBondContact O-CB 3.48Å; V450-L454 VanDerWaalsContact O-CG 3.32Å; V450-L454 WeakPolarHBondContact O-CG 3.2Å; V450-L454 PolarHBondContact O-N 2.96Å; L454-Y456 VanDerWaalsContact C-N 3.3Å; L454-Y456 PolarHBondContact O-N 3.1Å; L454-F457 PolarHBondContact O-N 3.31Å; L454-I458 VanDerWaalsContact O-CG1 3.27Å; L454-I458 WeakPolarHBondContact O-CG1 3.28Å; L454-I458 PolarHBondContact O-N 3.13Å
455	G	88.3	Confident	85.7	Confident	19 Å²	19	78.4 Å²	78.4	20%	0.196	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-42.6	173.7	0	0	0	0	0	112.3	L451 L453 I458 V459	L451-G455 PolarHBondContact O-N 3.38Å; L453-G455 VanDerWaalsContact C-N 3.32Å; L453-G455 PolarHBondContact O-N 3.45Å; G455-I458 PolarHBondContact O-N 2.94Å; G455-V459 WeakPolarHBondContact O-CB 3.34Å; G455-V459 VanDerWaalsContact O-CG2 3.3Å; G455-V459 WeakPolarHBondContact O-CG2 3.45Å; G455-V459 PolarHBondContact O-N 3.22Å
456	Y	89.3	Confident	84.1	Confident	50 Å²	50	86.2 Å²	86.2	20%	0.196	43%	0.427	C	S	.	.	H	α-helix	trans	-62	-46.2	176.3	174.3	-95.9	0	0	0	111.9	R7 I11 C452 L453 L454 I458 V459 R460	R7-Y456 HydrophobicContact CB-CE2 4.42Å; R7-Y456 HydrophobicContact CG-CD2 4.44Å; R7-Y456 HydrophobicContact CG-CE2 4.3Å; I11-Y456 HydrophobicContact CD1-CD2 4.24Å; I11-Y456 HydrophobicContact CD1-CE2 3.76Å; I11-Y456 HydrophobicContact CG1-CD2 3.86Å; I11-Y456 HydrophobicContact CG1-CE2 3.88Å; C452-Y456 WeakPolarHBondContact O-CB 3.39Å; C452-Y456 PolarHBondContact O-N 3.4Å; L453-Y456 WeakPolarHBondContact O-CB 3.39Å; L453-Y456 PolarHBondContact O-N 2.85Å; L453-Y456 VanDerWaalsContact O-N 3.13Å; L454-Y456 VanDerWaalsContact C-N 3.3Å; L454-Y456 PolarHBondContact O-N 3.1Å; Y456-I458 PolarHBondContact O-N 2.83Å; Y456-V459 PolarHBondContact O-N 3.47Å; Y456-R460 VanDerWaalsContact O-CB 3.26Å; Y456-R460 WeakPolarHBondContact O-CB 3.38Å; Y456-R460 PolarHBondContact O-N 2.98Å
457	F	86.5	Confident	82.4	Confident	119 Å²	119	89 Å²	89	52%	0.522	44%	0.439	S	S	.	.	H	α-helix	trans	-63.3	-41	177.7	-76.8	-66.4	0	0	0	112.5	L453 L454 R460 R461	L453-F457 HydrophobicContact CD2-CE2 4.26Å; L453-F457 WeakPolarHBondContact O-CD2 3.49Å; L453-F457 PolarHBondContact O-N 2.93Å; L454-F457 PolarHBondContact O-N 3.31Å; F457-R460 PolarHBondContact O-N 3.24Å; F457-R461 WeakPolarHBondContact O-CB 3.38Å; F457-R461 PolarHBondContact O-N 3.15Å
458	I	87.5	Confident	80.5	Confident	120 Å²	120	95.1 Å²	95.1	62%	0.615	46%	0.463	S	S	*	.	H	α-helix	trans	-64	-47.5	177.3	-67.8	165.3	0	0	0	110.8	L454 G455 Y456 R460 R461 S462	L454-I458 VanDerWaalsContact O-CG1 3.27Å; L454-I458 WeakPolarHBondContact O-CG1 3.28Å; L454-I458 PolarHBondContact O-N 3.13Å; G455-I458 PolarHBondContact O-N 2.94Å; Y456-I458 PolarHBondContact O-N 2.83Å; I458-R460 VanDerWaalsContact C-N 3.33Å; I458-R460 PolarHBondContact O-N 3.24Å; I458-R461 PolarHBondContact O-N 3.08Å; I458-S462 PolarHBondContact O-N 3.07Å
459	V	84.6	Confident	78.2	Confident	36 Å²	36	99 Å²	99	22%	0.218	50%	0.5	C	S	.	.	H	α-helix	trans	-66	-36.3	178.1	172.3	0	0	0	0	111.4	R7 L10 G455 Y456 S462 H463	R7-V459 HydrophobicContact CG-CG1 4.03Å; L10-V459 HydrophobicContact CD1-CB 4.33Å; L10-V459 HydrophobicContact CD1-CG2 3.91Å; G455-V459 WeakPolarHBondContact O-CB 3.34Å; G455-V459 VanDerWaalsContact O-CG2 3.3Å; G455-V459 WeakPolarHBondContact O-CG2 3.45Å; G455-V459 PolarHBondContact O-N 3.22Å; Y456-V459 PolarHBondContact O-N 3.47Å; V459-S462 PolarHBondContact O-OG 2.97Å; V459-H463 WeakPolarHBondContact O-CB 3.39Å; V459-H463 PolarHBondContact O-N 3.35Å; V459-H463 VanDerWaalsContact O-N 3.12Å
460	R	81.8	Confident	77.5	Confident	114 Å²	114	100 Å²	100	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-44.9	174.7	-174.2	175.8	177.3	179.1	-1.6	111.5	Y456 F457 I458 H463 N464	Y456-R460 VanDerWaalsContact O-CB 3.26Å; Y456-R460 WeakPolarHBondContact O-CB 3.38Å; Y456-R460 PolarHBondContact O-N 2.98Å; F457-R460 PolarHBondContact O-N 3.24Å; I458-R460 VanDerWaalsContact C-N 3.33Å; I458-R460 PolarHBondContact O-N 3.24Å; R460-H463 PolarHBondContact O-N 2.94Å; R460-N464 PolarHBondContact O-N 2.85Å; R460-N464 VanDerWaalsContact O-N 3.08Å; R460-N464 PolarHBondContact O-OD1 3.42Å
461	R	80.7	Confident	76.7	Confident	196 Å²	196	101.7 Å²	101.7	74%	0.74	51%	0.514	S	S	*	.	H	α-helix	trans	-67.3	-36.7	-179.9	-158	175.8	-172.8	-178.2	2.4	112.5	F457 I458 K465	F457-R461 WeakPolarHBondContact O-CB 3.38Å; F457-R461 PolarHBondContact O-N 3.15Å; I458-R461 PolarHBondContact O-N 3.08Å; R461-K465 PolarHBondContact O-N 3.44Å; R461-K465 VanDerWaalsContact O-N 3.16Å
462	S	73.9	Confident	75.7	Confident	63 Å²	63	100.6 Å²	100.6	44%	0.441	51%	0.506	S	S	.	.	H	α-helix	trans	-71.8	-35.1	176.7	85.8	0	0	0	0	112.9	I458 V459 K465 K466	I458-S462 PolarHBondContact O-N 3.07Å; V459-S462 PolarHBondContact O-OG 2.97Å; S462-K465 PolarHBondContact O-N 2.81Å; S462-K466 PolarHBondContact O-N 2.88Å; S462-K466 VanDerWaalsContact O-N 3.17Å
463	H	69.1	Low	74.8	Confident	83 Å²	83	105.1 Å²	105.1	38%	0.384	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-46.8	174.1	-165.9	-76.5	0	0	0	111.7	V459 R460 K465 K466 E467	V459-H463 WeakPolarHBondContact O-CB 3.39Å; V459-H463 PolarHBondContact O-N 3.35Å; V459-H463 VanDerWaalsContact O-N 3.12Å; R460-H463 PolarHBondContact O-N 2.94Å; H463-K465 VanDerWaalsContact C-N 3.25Å; H463-K465 PolarHBondContact O-N 2.93Å; H463-K466 WeakPolarHBondContact O-CA 3.32Å; H463-K466 WeakPolarHBondContact O-CB 3.27Å; H463-K466 PolarHBondContact O-N 3.29Å; H463-E467 IonicContact CE1-OE1 3.9Å; H463-E467 PolarHBondContact CE1-OE1 3.11Å; H463-E467 IonicContact ND1-OE1 3.86Å; H463-E467 IonicContact ND1-OE2 3.76Å; H463-E467 PolarHBondContact O-N 2.97Å
464	N	69.4	Low	73.8	Confident	73 Å²	73	108.2 Å²	108.2	39%	0.39	54%	0.542	S	S	.	.	H	α-helix	trans	-62.1	-34.3	177.5	-73.7	19.2	0	0	0	111.9	R460 K466 E467 L468	R460-N464 PolarHBondContact O-N 2.85Å; R460-N464 VanDerWaalsContact O-N 3.08Å; R460-N464 PolarHBondContact O-OD1 3.42Å; N464-K466 VanDerWaalsContact C-N 3.31Å; N464-K466 PolarHBondContact O-N 3.24Å; N464-E467 PolarHBondContact O-N 3.37Å; N464-L468 VanDerWaalsContact O-CD1 3.3Å; N464-L468 WeakPolarHBondContact O-CD1 3.41Å; N464-L468 PolarHBondContact O-N 3.34Å
465	K	63.7	Low	72.7	Confident	161 Å²	161	109.1 Å²	109.1	70%	0.7	55%	0.545	S	S	*	.	H	α-helix	trans	-66.8	-28.8	172.3	-93.6	-173	171.7	-172.3	0	113.7	R461 S462 H463	R461-K465 PolarHBondContact O-N 3.44Å; R461-K465 VanDerWaalsContact O-N 3.16Å; S462-K465 PolarHBondContact O-N 2.81Å; H463-K465 VanDerWaalsContact C-N 3.25Å; H463-K465 PolarHBondContact O-N 2.93Å
466	K	59.1	Low	71.6	Confident	166 Å²	166	115.5 Å²	115.5	72%	0.722	57%	0.57	S	S	*	*	H	α-helix	trans	-82.1	-21.7	176.7	-80.6	-173.8	173.9	-171	0	113.8	S462 H463 N464	S462-K466 PolarHBondContact O-N 2.88Å; S462-K466 VanDerWaalsContact O-N 3.17Å; H463-K466 WeakPolarHBondContact O-CA 3.32Å; H463-K466 WeakPolarHBondContact O-CB 3.27Å; H463-K466 PolarHBondContact O-N 3.29Å; N464-K466 VanDerWaalsContact C-N 3.31Å; N464-K466 PolarHBondContact O-N 3.24Å
467	E	57.4	Low	70.2	Confident	142 Å²	142	120.5 Å²	120.5	66%	0.664	60%	0.598	S	S	*	*	H	α-helix	trans	-85.8	-17.5	173.6	-76.9	-175.1	153.6	0	0	113	H463 N464	H463-E467 IonicContact CE1-OE1 3.9Å; H463-E467 PolarHBondContact CE1-OE1 3.11Å; H463-E467 IonicContact ND1-OE1 3.86Å; H463-E467 IonicContact ND1-OE2 3.76Å; H463-E467 PolarHBondContact O-N 2.97Å; N464-E467 PolarHBondContact O-N 3.37Å
468	L	53.4	Low	68.9	Low	158 Å²	158	120.7 Å²	120.7	83%	0.827	61%	0.605	S	S	*	*			trans	-94.8	-3.9	177	-95.7	126.2	0	0	0	114	N464	N464-L468 VanDerWaalsContact O-CD1 3.3Å; N464-L468 WeakPolarHBondContact O-CD1 3.41Å; N464-L468 PolarHBondContact O-N 3.34Å
469	A	45.9	Very low	67.2	Low	136 Å²	136	120.7 Å²	120.7	100%	1.124	60%	0.604	S	S	*	*			trans	-114.8	0	175.4	0	0	0	0	0	108.6

Retrieved 469 of 469 residues in 194.4 ms (Link to these results)

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