A0A087XYY4_POEFO Loading...

Polyadenylate-binding protein

Binds the poly(A) tail of mRNA.

AlphaFold DB , UniProt , Accession A0A087XYY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 647 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	47.7	Very low	246 Å²	246	107.7 Å²	107.7	100%	1.212	64%	0.644	S	S	*	*				0	130.7	0	-70.4	166.9	170	0	0	107.2
2	N	31.9	Very low	51.2	Low	140 Å²	140	99.4 Å²	99.4	75%	0.749	60%	0.595	S	S	*	*			trans	-128.5	115.1	-174.9	-138.9	9.7	0	0	0	108.9	S4	N2-S4 VanDerWaalsContact C-N 3.26Å; N2-S4 PolarHBondContact O-N 3.32Å
3	P	39.3	Very low	54.4	Low	132 Å²	132	91.8 Å²	91.8	86%	0.857	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	48.5	-165.6	37	-37.7	0	0	0	112.9
4	S	43.8	Very low	57.2	Low	93 Å²	93	88.9 Å²	88.9	65%	0.65	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.6	15.8	-170.5	51.8	0	0	0	0	115.2	N2	N2-S4 VanDerWaalsContact C-N 3.26Å; N2-S4 PolarHBondContact O-N 3.32Å
5	A	42.1	Very low	59.7	Low	85 Å²	85	83 Å²	83	70%	0.702	49%	0.489	S	S	*	.	S	Bend	trans	-74.5	134.6	164.8	0	0	0	0	0	109.9	S7	A5-S7 PolarHBondContact O-N 2.93Å
6	P	44.2	Very low	61.7	Low	71 Å²	71	77.8 Å²	77.8	46%	0.461	46%	0.459	S	S	.	.			trans	-62.4	127.6	171.2	26.3	-32.9	0	0	0	109.3	Y8	P6-Y8 HydrophobicContact CG-CE2 3.89Å; P6-Y8 WeakPolarHBondContact O-CD2 3.32Å; P6-Y8 PolarHBondContact O-N 3.14Å
7	S	38.8	Very low	63.4	Low	116 Å²	116	75.9 Å²	75.9	81%	0.811	45%	0.446	S	S	*	.			trans	-68.6	95.9	178.3	-173.9	0	0	0	0	109.8	A5 P9	A5-S7 PolarHBondContact O-N 2.93Å; S7-P9 WeakPolarHBondContact O-CD 3.21Å
8	Y	53.1	Low	65.1	Low	72 Å²	72	71.8 Å²	71.8	28%	0.282	42%	0.422	S	S	.	.			trans	-71.8	107.8	167.7	-69.6	-72.7	0	0	0	108.1	P6 M10 W86	P6-Y8 HydrophobicContact CG-CE2 3.89Å; P6-Y8 WeakPolarHBondContact O-CD2 3.32Å; P6-Y8 PolarHBondContact O-N 3.14Å; Y8-M10 PolarHBondContact O-N 3.1Å; Y8-W86 HydrophobicContact CD2-CD2 4.03Å; Y8-W86 HydrophobicContact CD2-CE3 4.15Å; Y8-W86 HydrophobicContact CD2-CG 4.23Å; Y8-W86 HydrophobicContact CE1-CB 4.13Å; Y8-W86 HydrophobicContact CE2-CB 3.98Å; Y8-W86 HydrophobicContact CE2-CD2 4.01Å; Y8-W86 AromaticContact CE2-CG 3.72Å; Y8-W86 HydrophobicContact CE2-CG 3.72Å; Y8-W86 HydrophobicContact CG-CE3 4.41Å
9	P	53.9	Low	66.5	Low	124 Å²	124	70.5 Å²	70.5	81%	0.805	41%	0.411	S	S	*	.	S	Bend	trans	-73.6	2.6	-172.6	33	-37.6	0	0	0	113.1	S7	S7-P9 WeakPolarHBondContact O-CD 3.21Å
10	M	60.6	Low	67.7	Low	97 Å²	97	69.2 Å²	69.2	48%	0.478	41%	0.405	S	S	.	.	S	Bend	trans	-140	135.1	174.2	-50.7	-167.6	85.7	0	0	108	Y8 S12 R89	Y8-M10 PolarHBondContact O-N 3.1Å; M10-S12 WeakPolarHBondContact CB-OG 3.36Å; M10-S12 PolarHBondContact O-N 3.44Å; M10-R89 PolarHBondContact SD-NH2 2.74Å
11	A	84.6	Confident	68.8	Low	9 Å²	9	70.3 Å²	70.3	7%	0.074	41%	0.409	C	S	.	.			trans	-74.9	57.2	176.3	0	0	0	0	0	111.5	N58 F59 Q61 P62 A65	A11-N58 WeakPolarHBondContact O-CA 3.49Å; A11-F59 HydrophobicContact CB-CB 3.99Å; A11-F59 PolarHBondContact O-N 3.42Å; A11-Q61 WeakPolarHBondContact CB-O 3.34Å; A11-P62 HydrophobicContact CB-CG 4.37Å; A11-A65 HydrophobicContact CB-CB 4.08Å
12	S	90.4	Very high	71.8	Confident	8 Å²	8	58.6 Å²	58.6	6%	0.056	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.8	-168.5	-65.5	0	0	0	0	111.2	M10 N58 S87	M10-S12 WeakPolarHBondContact CB-OG 3.36Å; M10-S12 PolarHBondContact O-N 3.44Å; S12-N58 VanDerWaalsContact CB-OD1 3.3Å; S12-N58 WeakPolarHBondContact CB-OD1 3.17Å; S12-N58 PolarHBondContact OG-OD1 3.17Å; S12-S87 WeakPolarHBondContact O-CB 3.42Å; S12-S87 PolarHBondContact O-N 3.03Å
13	L	93.2	Very high	74.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138	172.4	-57.1	-178.9	0	0	0	110.9	Y56 V57 F59 A65 A68 I84 M85 W86	L13-Y56 WeakPolarHBondContact O-CA 3.38Å; L13-V57 PolarHBondContact N-O 2.84Å; L13-V57 PolarHBondContact O-N 2.82Å; L13-F59 HydrophobicContact CD1-CD2 4.36Å; L13-F59 HydrophobicContact CD1-CE2 3.8Å; L13-F59 HydrophobicContact CG-CE2 4.45Å; L13-A65 HydrophobicContact CD1-CB 4.19Å; L13-A65 WeakPolarHBondContact CD1-O 3.31Å; L13-A65 HydrophobicContact CD2-CB 4.06Å; L13-A65 HydrophobicContact CG-CB 4Å; L13-A68 HydrophobicContact CD1-CB 3.84Å; L13-I84 HydrophobicContact CB-CG2 4.08Å; L13-I84 HydrophobicContact CD1-CG2 3.73Å; L13-I84 HydrophobicContact CD2-CG2 4.43Å; L13-I84 HydrophobicContact CG-CG2 4.3Å; L13-M85 CarbonylContact C-O 3.52Å; L13-M85 WeakPolarHBondContact CA-O 3.23Å; L13-W86 HydrophobicContact CD2-CD2 4.08Å; L13-W86 HydrophobicContact CD2-CE3 3.67Å; L13-W86 HydrophobicContact CD2-CH2 4.41Å; L13-W86 HydrophobicContact CD2-CZ3 3.86Å
14	Y	93.6	Very high	77.4	Confident	52 Å²	52	51.7 Å²	51.7	20%	0.204	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.3	161.5	169.5	-89.7	0	0	0	108.4	Y54 Y56 I84 M85	Y14-Y54 HydrophobicContact CD2-CD2 4.06Å; Y14-Y54 AromaticContact CE2-CD2 3.47Å; Y14-Y54 HydrophobicContact CE2-CD2 3.47Å; Y14-Y54 VanDerWaalsContact CE2-CD2 3.47Å; Y14-Y54 HydrophobicContact CE2-CE2 4.25Å; Y14-Y54 AromaticContact CE2-CG 3.65Å; Y14-Y54 HydrophobicContact CE2-CG 3.65Å; Y14-Y56 AromaticContact CD2-CE1 3.86Å; Y14-Y56 HydrophobicContact CD2-CE1 3.86Å; Y14-I84 CarbonylContact O-C 3.52Å; Y14-I84 WeakPolarHBondContact O-CA 3.44Å; Y14-M85 HydrophobicContact CD1-CB 4.26Å; Y14-M85 HydrophobicContact CD1-CG 4.26Å; Y14-M85 HydrophobicContact CD1-SD 4.12Å; Y14-M85 HydrophobicContact CE1-SD 4.35Å; Y14-M85 PolarHBondContact N-O 3.38Å; Y14-M85 PolarHBondContact O-N 2.89Å
15	V	94.4	Very high	79.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	99.3	177.7	-172.5	0	0	0	0	108.4	L18 F31 Y54 A55 V57 L82 I84	V15-L18 HydrophobicContact CG1-CD2 3.93Å; V15-F31 HydrophobicContact CG1-CE2 4.26Å; V15-F31 HydrophobicContact CG1-CZ 4.26Å; V15-F31 HydrophobicContact CG2-CE2 3.95Å; V15-F31 HydrophobicContact CG2-CZ 3.91Å; V15-Y54 CarbonylContact O-C 3.58Å; V15-Y54 WeakPolarHBondContact O-CA 3.43Å; V15-A55 PolarHBondContact N-O 3.37Å; V15-A55 PolarHBondContact O-N 3.03Å; V15-V57 HydrophobicContact CG2-CB 4.44Å; V15-V57 HydrophobicContact CG2-CG2 3.87Å; V15-L82 HydrophobicContact CG1-CB 4.42Å; V15-L82 HydrophobicContact CG1-CD1 4.41Å; V15-L82 HydrophobicContact CG1-CD2 3.9Å; V15-L82 HydrophobicContact CG1-CG 4.47Å; V15-I84 HydrophobicContact CG1-CG1 4.45Å
16	G	91.9	Very high	82.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	175.5	-177.3	0	0	0	0	0	114.7	L18 G53 R83	G16-L18 PolarHBondContact O-N 2.86Å; G16-G53 CarbonylContact C-O 3.55Å; G16-R83 PolarHBondContact N-O 3.38Å; G16-R83 PolarHBondContact O-N 2.78Å
17	D	90.3	Very high	84.7	Confident	45 Å²	45	45.7 Å²	45.7	24%	0.241	26%	0.261	C	S	.	.	S	Bend	trans	62.6	22	175.8	-71.7	-55.4	0	0	0	116.4	G53 R80 R83 K129	D17-G53 PolarHBondContact N-O 2.74Å; D17-R80 WeakPolarHBondContact O-CD 3.37Å; D17-R83 HydrophobicContact CB-CB 4.4Å; D17-R83 IonicContact OD2-CZ 2.76Å; D17-R83 IonicContact OD2-NE 3.77Å; D17-R83 PolarHBondContact OD2-NE 2.79Å; D17-R83 IonicContact OD2-NH2 3.97Å; D17-K129 IonicContact OD1-NZ 2.89Å; D17-K129 PolarHBondContact OD1-NZ 2.96Å; D17-K129 WeakPolarHBondContact OD2-CD 3.19Å; D17-K129 WeakPolarHBondContact OD2-CE 3.37Å; D17-K129 IonicContact OD2-NZ 2.68Å; D17-K129 PolarHBondContact OD2-NZ 3.42Å
18	L	93	Very high	87.4	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.247	C	C	.	.			trans	-56.2	149.7	176.7	-57.6	-177.2	0	0	0	112.9	V15 G16 V22 L27 G53 A55 R80 L82	V15-L18 HydrophobicContact CG1-CD2 3.93Å; G16-L18 PolarHBondContact O-N 2.86Å; L18-V22 HydrophobicContact CB-CB 4.27Å; L18-V22 HydrophobicContact CB-CG2 4.19Å; L18-V22 HydrophobicContact CD1-CB 4.5Å; L18-V22 HydrophobicContact CD1-CG1 4.23Å; L18-V22 HydrophobicContact CD2-CG1 4.38Å; L18-L27 HydrophobicContact CD1-CD1 4.16Å; L18-L27 HydrophobicContact CD2-CD2 4.09Å; L18-G53 PolarHBondContact N-O 2.95Å; L18-A55 HydrophobicContact CD1-CB 3.74Å; L18-R80 PolarHBondContact O-NH1 2.92Å; L18-L82 HydrophobicContact CD2-CD2 3.35Å
19	H	91.9	Very high	89.3	Confident	48 Å²	48	49.9 Å²	49.9	22%	0.222	27%	0.265	C	S	.	.			trans	-66.1	143.5	163.4	-161.9	-96.8	0	0	0	109.6	D21 V22 K78	H19-D21 IonicContact CE1-OD2 2.66Å; H19-D21 PolarHBondContact CE1-OD2 3.21Å; H19-D21 IonicContact ND1-OD2 2.74Å; H19-D21 PolarHBondContact ND1-OD2 3.49Å; H19-D21 VanDerWaalsContact ND1-OD2 3.1Å; H19-D21 PolarHBondContact O-N 2.64Å; H19-V22 HydrophobicContact CB-CG2 3.95Å; H19-V22 WeakPolarHBondContact O-CB 3.37Å; H19-V22 WeakPolarHBondContact O-CG2 3.3Å; H19-V22 PolarHBondContact O-N 3.15Å; H19-K78 HydrophobicContact CB-CB 3.74Å
20	P	91.3	Very high	91.2	Very high	43 Å²	43	46.9 Å²	46.9	28%	0.279	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.1	-178.4	-29.5	37.2	0	0	0	114.7	S51	P20-S51 VanDerWaalsContact O-CB 3.22Å; P20-S51 WeakPolarHBondContact O-CB 3.18Å
21	D	91.3	Very high	92.8	Very high	94 Å²	94	42.3 Å²	42.3	50%	0.503	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	12.1	-179.7	-39.1	-44.5	0	0	0	113.7	H19 K78	H19-D21 IonicContact CE1-OD2 2.66Å; H19-D21 PolarHBondContact CE1-OD2 3.21Å; H19-D21 IonicContact ND1-OD2 2.74Å; H19-D21 PolarHBondContact ND1-OD2 3.49Å; H19-D21 VanDerWaalsContact ND1-OD2 3.1Å; H19-D21 PolarHBondContact O-N 2.64Å; D21-K78 HydrophobicContact CB-CD 4.22Å; D21-K78 PolarHBondContact O-NZ 3.46Å
22	V	94.3	Very high	93.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.			trans	-68.7	132.1	168.8	174.8	0	0	0	0	108.8	L18 H19 L27 I77	L18-V22 HydrophobicContact CB-CB 4.27Å; L18-V22 HydrophobicContact CB-CG2 4.19Å; L18-V22 HydrophobicContact CD1-CB 4.5Å; L18-V22 HydrophobicContact CD1-CG1 4.23Å; L18-V22 HydrophobicContact CD2-CG1 4.38Å; H19-V22 HydrophobicContact CB-CG2 3.95Å; H19-V22 WeakPolarHBondContact O-CB 3.37Å; H19-V22 WeakPolarHBondContact O-CG2 3.3Å; H19-V22 PolarHBondContact O-N 3.15Å; V22-L27 HydrophobicContact CG1-CD1 4.11Å; V22-L27 HydrophobicContact CG1-CD2 3.81Å; V22-L27 HydrophobicContact CG1-CG 3.69Å; V22-I77 HydrophobicContact CG2-CG2 3.8Å
23	T	94.1	Very high	93.5	Very high	57 Å²	57	48.9 Å²	48.9	35%	0.35	26%	0.26	S	S	.	.			trans	-109.1	161	174.2	63	0	0	0	0	111	A25 M26 L27	T23-A25 PolarHBondContact O-N 2.68Å; T23-M26 PolarHBondContact O-N 3.13Å; T23-M26 VanDerWaalsContact O-N 3.09Å; T23-L27 PolarHBondContact O-N 2.89Å
24	E	94.3	Very high	93.5	Very high	69 Å²	69	49.2 Å²	49.2	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-52.3	-37.8	174.7	-64.4	75.2	-179.4	0	0	110.9	L27 Y28 I40 V42 R44	E24-L27 PolarHBondContact O-N 3.33Å; E24-Y28 PolarHBondContact O-N 2.69Å; E24-I40 HydrophobicContact CB-CG2 4.39Å; E24-V42 HydrophobicContact CG-CB 4.33Å; E24-V42 HydrophobicContact CG-CG2 3.89Å; E24-V42 WeakPolarHBondContact OE1-CB 3.17Å; E24-R44 IonicContact OE1-CZ 2.72Å; E24-R44 IonicContact OE1-NE 3.8Å; E24-R44 PolarHBondContact OE1-NE 3Å; E24-R44 IonicContact OE1-NH2 2.64Å; E24-R44 PolarHBondContact OE1-NH2 2.87Å; E24-R44 IonicContact OE2-CZ 2.76Å; E24-R44 IonicContact OE2-NE 2.7Å; E24-R44 IonicContact OE2-NH2 3.92Å; E24-R44 PolarHBondContact OE2-NH2 2.78Å
25	A	94.4	Very high	93.4	Very high	69 Å²	69	47.3 Å²	47.3	57%	0.57	26%	0.259	S	S	*	.	H	α-helix	trans	-68.3	-41.1	176.4	0	0	0	0	0	113.6	T23 L27 Y28 E29	T23-A25 PolarHBondContact O-N 2.68Å; A25-L27 VanDerWaalsContact C-N 3.28Å; A25-L27 PolarHBondContact O-N 3.36Å; A25-Y28 WeakPolarHBondContact O-CB 3.37Å; A25-Y28 PolarHBondContact O-N 3.42Å; A25-E29 PolarHBondContact O-N 2.97Å
26	M	94.5	Very high	93.4	Very high	55 Å²	55	50.8 Å²	50.8	27%	0.271	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-33.3	176.6	-65.8	-173.4	74.7	0	0	112.1	T23 K30 I77 K78	T23-M26 PolarHBondContact O-N 3.13Å; T23-M26 VanDerWaalsContact O-N 3.09Å; M26-K30 WeakPolarHBondContact O-CB 3.2Å; M26-K30 PolarHBondContact O-N 2.85Å; M26-K30 VanDerWaalsContact O-N 3.15Å; M26-I77 HydrophobicContact CE-CG2 3.93Å; M26-K78 HydrophobicContact CE-CD 4.34Å; M26-K78 HydrophobicContact CE-CG 4.15Å; M26-K78 HydrophobicContact SD-CD 4.27Å; M26-K78 VanDerWaalsContact SD-CE 3.51Å
27	L	94.9	Very high	93.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-71.2	-39.4	172.6	-64.1	175	0	0	0	111.1	L18 V22 T23 E24 A25 K30 F31 I40 V42 A55 I77	L18-L27 HydrophobicContact CD1-CD1 4.16Å; L18-L27 HydrophobicContact CD2-CD2 4.09Å; V22-L27 HydrophobicContact CG1-CD1 4.11Å; V22-L27 HydrophobicContact CG1-CD2 3.81Å; V22-L27 HydrophobicContact CG1-CG 3.69Å; T23-L27 PolarHBondContact O-N 2.89Å; E24-L27 PolarHBondContact O-N 3.33Å; A25-L27 VanDerWaalsContact C-N 3.28Å; A25-L27 PolarHBondContact O-N 3.36Å; L27-K30 PolarHBondContact O-N 3.41Å; L27-F31 HydrophobicContact CB-CD2 4.34Å; L27-F31 HydrophobicContact CD2-CE2 4.16Å; L27-F31 WeakPolarHBondContact O-CB 3.37Å; L27-F31 VanDerWaalsContact O-CD2 3.27Å; L27-F31 WeakPolarHBondContact O-CD2 3.18Å; L27-F31 PolarHBondContact O-N 2.64Å; L27-I40 HydrophobicContact CB-CD1 3.94Å; L27-I40 HydrophobicContact CB-CG2 4.03Å; L27-I40 HydrophobicContact CD1-CG2 3.93Å; L27-V42 HydrophobicContact CD1-CG2 3.77Å; L27-A55 HydrophobicContact CD1-CB 3.49Å; L27-A55 VanDerWaalsContact CD1-CB 3.49Å; L27-I77 HydrophobicContact CD2-CD1 4.26Å
28	Y	94.8	Very high	93.6	Very high	132 Å²	132	55.7 Å²	55.7	52%	0.518	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-48.6	175.7	-173.1	-89.1	0	0	0	111.6	E24 A25 K30 F31 S32 I37 I40	E24-Y28 PolarHBondContact O-N 2.69Å; A25-Y28 WeakPolarHBondContact O-CB 3.37Å; A25-Y28 PolarHBondContact O-N 3.42Å; Y28-K30 PolarHBondContact O-N 2.67Å; Y28-F31 PolarHBondContact O-N 3.18Å; Y28-S32 WeakPolarHBondContact O-CB 3.44Å; Y28-S32 PolarHBondContact O-N 3.28Å; Y28-S32 PolarHBondContact O-OG 2.86Å; Y28-I37 HydrophobicContact CD2-CB 4.39Å; Y28-I37 HydrophobicContact CD2-CD1 3.95Å; Y28-I37 HydrophobicContact CE2-CB 4.2Å; Y28-I37 HydrophobicContact CE2-CD1 4.3Å; Y28-I40 VanDerWaalsContact CA-CD1 3.45Å; Y28-I40 HydrophobicContact CD2-CD1 4.27Å; Y28-I40 VanDerWaalsContact N-CD1 3.31Å
29	E	93.9	Very high	93.6	Very high	143 Å²	143	58.2 Å²	58.2	67%	0.668	33%	0.325	S	S	*	.	H	α-helix	trans	-54.5	-50.7	174.9	-174.9	-179.3	-177.7	0	0	110.9	A25 F31 S32	A25-E29 PolarHBondContact O-N 2.97Å; E29-F31 PolarHBondContact O-N 3.13Å; E29-S32 PolarHBondContact O-OG 2.8Å; E29-S32 VanDerWaalsContact O-OG 3.09Å
30	K	93.9	Very high	93.7	Very high	62 Å²	62	57.5 Å²	57.5	27%	0.27	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-41.7	-179	-179	60.5	-173.8	176.6	0	113.8	M26 L27 Y28 P33 M72 D75 I77 L82	M26-K30 WeakPolarHBondContact O-CB 3.2Å; M26-K30 PolarHBondContact O-N 2.85Å; M26-K30 VanDerWaalsContact O-N 3.15Å; L27-K30 PolarHBondContact O-N 3.41Å; Y28-K30 PolarHBondContact O-N 2.67Å; K30-P33 WeakPolarHBondContact O-CD 3.47Å; K30-M72 VanDerWaalsContact O-CE 3.29Å; K30-M72 WeakPolarHBondContact O-CE 3.16Å; K30-D75 VanDerWaalsContact CE-CG 3.4Å; K30-D75 WeakPolarHBondContact CE-OD2 3.08Å; K30-D75 IonicContact NZ-OD1 3Å; K30-D75 PolarHBondContact NZ-OD1 3.45Å; K30-D75 VanDerWaalsContact NZ-OD1 3.07Å; K30-D75 IonicContact NZ-OD2 3.74Å; K30-D75 PolarHBondContact NZ-OD2 2.91Å; K30-I77 HydrophobicContact CB-CD1 4.08Å; K30-I77 HydrophobicContact CG-CD1 4.12Å; K30-L82 HydrophobicContact CG-CD1 4.45Å
31	F	95	Very high	93.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-90.1	-17.6	-173.7	-76.4	-64.4	0	0	0	114.5	V15 L27 Y28 E29 P33 A34 I37 V57 F59 A68 M72 L82 I84	V15-F31 HydrophobicContact CG1-CE2 4.26Å; V15-F31 HydrophobicContact CG1-CZ 4.26Å; V15-F31 HydrophobicContact CG2-CE2 3.95Å; V15-F31 HydrophobicContact CG2-CZ 3.91Å; L27-F31 HydrophobicContact CB-CD2 4.34Å; L27-F31 HydrophobicContact CD2-CE2 4.16Å; L27-F31 WeakPolarHBondContact O-CB 3.37Å; L27-F31 VanDerWaalsContact O-CD2 3.27Å; L27-F31 WeakPolarHBondContact O-CD2 3.18Å; L27-F31 PolarHBondContact O-N 2.64Å; Y28-F31 PolarHBondContact O-N 3.18Å; E29-F31 PolarHBondContact O-N 3.13Å; F31-P33 VanDerWaalsContact C-N 3.32Å; F31-A34 WeakPolarHBondContact O-CB 3.39Å; F31-A34 PolarHBondContact O-N 2.98Å; F31-I37 HydrophobicContact CB-CD1 3.55Å; F31-V57 HydrophobicContact CD2-CG1 4.42Å; F31-V57 HydrophobicContact CD2-CG2 3.94Å; F31-V57 HydrophobicContact CE2-CG2 4.05Å; F31-V57 HydrophobicContact CG-CG1 4.42Å; F31-F59 HydrophobicContact CB-CZ 4.02Å; F31-F59 HydrophobicContact CD1-CZ 4.06Å; F31-F59 HydrophobicContact CG-CZ 4.31Å; F31-A68 HydrophobicContact CD1-CB 3.98Å; F31-A68 HydrophobicContact CE1-CB 4.15Å; F31-M72 HydrophobicContact CD1-SD 3.5Å; F31-M72 WeakPolarHBondContact CD1-SD 3.12Å; F31-M72 HydrophobicContact CE1-CB 4.04Å; F31-M72 HydrophobicContact CE1-SD 3.89Å; F31-M72 HydrophobicContact CG-SD 4.38Å; F31-L82 HydrophobicContact CE2-CD1 4.34Å; F31-L82 HydrophobicContact CZ-CD1 4Å; F31-I84 HydrophobicContact CE1-CD1 3.59Å; F31-I84 HydrophobicContact CZ-CD1 3.63Å; F31-I84 HydrophobicContact CZ-CG1 4.26Å
32	S	93.9	Very high	94	Very high	53 Å²	53	59.8 Å²	59.8	37%	0.371	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.9	-179.5	63.2	0	0	0	0	115.4	Y28 E29 A34 G35	Y28-S32 WeakPolarHBondContact O-CB 3.44Å; Y28-S32 PolarHBondContact O-N 3.28Å; Y28-S32 PolarHBondContact O-OG 2.86Å; E29-S32 PolarHBondContact O-OG 2.8Å; E29-S32 VanDerWaalsContact O-OG 3.09Å; S32-A34 PolarHBondContact O-N 2.83Å; S32-G35 PolarHBondContact O-N 2.84Å
33	P	94.9	Very high	93.9	Very high	103 Å²	103	60.7 Å²	60.7	67%	0.669	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.4	173.2	-19.3	34	0	0	0	114	K30 F31 M72	K30-P33 WeakPolarHBondContact O-CD 3.47Å; F31-P33 VanDerWaalsContact C-N 3.32Å; P33-M72 HydrophobicContact CB-CE 4.09Å; P33-M72 HydrophobicContact CG-CE 4.39Å
34	A	92.7	Very high	93.9	Very high	6 Å²	6	62 Å²	62	5%	0.05	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-30.9	176.9	0	0	0	0	0	112.1	F31 S32 F59 R67 A68 M72	F31-A34 WeakPolarHBondContact O-CB 3.39Å; F31-A34 PolarHBondContact O-N 2.98Å; S32-A34 PolarHBondContact O-N 2.83Å; A34-F59 HydrophobicContact CB-CE1 3.98Å; A34-F59 HydrophobicContact CB-CZ 4.15Å; A34-R67 VanDerWaalsContact O-CZ 3.26Å; A34-R67 PolarHBondContact O-NE 2.92Å; A34-R67 PolarHBondContact O-NH2 2.86Å; A34-A68 HydrophobicContact CB-CB 3.68Å; A34-M72 HydrophobicContact CB-CE 3.76Å; A34-M72 HydrophobicContact CB-SD 4.13Å
35	G	92.6	Very high	93.7	Very high	13 Å²	13	61.3 Å²	61.3	13%	0.134	32%	0.322	C	S	.	.	S	Bend	trans	156.2	179.7	174.5	0	0	0	0	0	113.7	S32 I37	S32-G35 PolarHBondContact O-N 2.84Å; G35-I37 WeakPolarHBondContact O-CG1 3.41Å; G35-I37 PolarHBondContact O-N 2.84Å
36	P	93.4	Very high	93.3	Very high	73 Å²	73	66 Å²	66	47%	0.474	34%	0.335	S	S	.	.			trans	-57.3	120	178.8	-26.5	36	0	0	0	113.3	Q60 D64	P36-Q60 HydrophobicContact CB-CB 4.08Å; P36-Q60 PolarHBondContact O-N 2.88Å; P36-D64 WeakPolarHBondContact CD-OD2 3.3Å
37	I	94	Very high	93.1	Very high	27 Å²	27	70.6 Å²	70.6	14%	0.138	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.7	179.7	-49.5	-180	0	0	0	109.6	Y28 F31 G35 I40 V57 N58 F59	Y28-I37 HydrophobicContact CD2-CB 4.39Å; Y28-I37 HydrophobicContact CD2-CD1 3.95Å; Y28-I37 HydrophobicContact CE2-CB 4.2Å; Y28-I37 HydrophobicContact CE2-CD1 4.3Å; F31-I37 HydrophobicContact CB-CD1 3.55Å; G35-I37 WeakPolarHBondContact O-CG1 3.41Å; G35-I37 PolarHBondContact O-N 2.84Å; I37-I40 HydrophobicContact CD1-CD1 4.03Å; I37-I40 HydrophobicContact CG2-CD1 4.16Å; I37-I40 HydrophobicContact CG2-CG1 3.7Å; I37-V57 HydrophobicContact CG2-CG1 3.99Å; I37-N58 WeakPolarHBondContact CG2-O 3.2Å; I37-F59 HydrophobicContact CG1-CD1 4.22Å; I37-F59 HydrophobicContact CG1-CE1 3.92Å
38	L	92.8	Very high	92.8	Very high	121 Å²	121	74.5 Å²	74.5	63%	0.634	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	-40.9	176.5	179.8	66.1	0	0	0	112	N58	L38-N58 WeakPolarHBondContact CA-O 3.13Å; L38-N58 HydrophobicContact CB-CB 4.39Å; L38-N58 WeakPolarHBondContact CB-O 3.25Å; L38-N58 PolarHBondContact N-O 3.2Å
39	S	92	Very high	92.5	Very high	54 Å²	54	77.1 Å²	77.1	38%	0.378	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	153.9	174.2	48.5	0	0	0	0	113.5	N58	S39-N58 PolarHBondContact N-O 3.11Å; S39-N58 PolarHBondContact O-N 3.29Å; S39-N58 PolarHBondContact OG-ND2 3.19Å
40	I	94.9	Very high	92.2	Very high	34 Å²	34	78.6 Å²	78.6	17%	0.174	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.7	171.5	-57.6	-171.5	0	0	0	109.2	E24 L27 Y28 I37 Y56 V57	E24-I40 HydrophobicContact CB-CG2 4.39Å; L27-I40 HydrophobicContact CB-CD1 3.94Å; L27-I40 HydrophobicContact CB-CG2 4.03Å; L27-I40 HydrophobicContact CD1-CG2 3.93Å; Y28-I40 VanDerWaalsContact CA-CD1 3.45Å; Y28-I40 HydrophobicContact CD2-CD1 4.27Å; Y28-I40 VanDerWaalsContact N-CD1 3.31Å; I37-I40 HydrophobicContact CD1-CD1 4.03Å; I37-I40 HydrophobicContact CG2-CD1 4.16Å; I37-I40 HydrophobicContact CG2-CG1 3.7Å; I40-Y56 WeakPolarHBondContact CA-O 3.31Å; I40-V57 HydrophobicContact CD1-CG2 4.39Å; I40-V57 HydrophobicContact CG1-CG1 4.29Å; I40-V57 HydrophobicContact CG1-CG2 4.26Å; I40-V57 HydrophobicContact CG2-CG2 4.31Å
41	R	93.7	Very high	92	Very high	177 Å²	177	76.2 Å²	76.2	67%	0.668	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	106.2	175.8	-176.8	-175.4	-62.3	-91.9	0.9	110.1	C43 A55 Y56	R41-C43 PolarHBondContact O-N 2.89Å; R41-A55 CarbonylContact O-C 3.56Å; R41-A55 WeakPolarHBondContact O-CA 3.47Å; R41-A55 WeakPolarHBondContact O-CB 3.38Å; R41-Y56 PolarHBondContact N-O 2.85Å; R41-Y56 PolarHBondContact O-N 2.78Å
42	V	94.8	Very high	91.9	Very high	7 Å²	7	80.5 Å²	80.5	4%	0.042	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.1	165.4	-178.4	0	0	0	0	107.8	E24 L27 R44 A55	E24-V42 HydrophobicContact CG-CB 4.33Å; E24-V42 HydrophobicContact CG-CG2 3.89Å; E24-V42 WeakPolarHBondContact OE1-CB 3.17Å; L27-V42 HydrophobicContact CD1-CG2 3.77Å; V42-R44 HydrophobicContact CG1-CG 4.25Å; V42-R44 PolarHBondContact O-N 3.48Å; V42-A55 HydrophobicContact CB-CB 4.41Å; V42-A55 HydrophobicContact CG2-CB 4.12Å
43	C	92.4	Very high	91.8	Very high	19 Å²	19	78.8 Å²	78.8	13%	0.128	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	120.7	177.1	-76.8	0	0	0	0	109.3	R41 L52 Y54	R41-C43 PolarHBondContact O-N 2.89Å; C43-L52 HydrophobicContact CB-CD1 4.3Å; C43-L52 WeakPolarHBondContact O-CB 3.5Å; C43-L52 PolarHBondContact O-N 3.35Å; C43-Y54 HydrophobicContact CB-CD1 4.47Å; C43-Y54 HydrophobicContact CB-CD2 3.84Å; C43-Y54 HydrophobicContact CB-CE1 4.04Å; C43-Y54 HydrophobicContact CB-CE2 3.35Å; C43-Y54 HydrophobicContact CB-CG 4.37Å; C43-Y54 VanDerWaalsContact CB-CZ 3.44Å; C43-Y54 PolarHBondContact N-O 2.97Å; C43-Y54 WeakPolarHBondContact SG-CE2 3.45Å
44	R	94.1	Very high	91.7	Very high	86 Å²	86	76.8 Å²	76.8	33%	0.325	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.7	-176.2	-61.9	170.6	-173.7	-80.9	-1.6	108.9	E24 V42 M46 R50	E24-R44 IonicContact OE1-CZ 2.72Å; E24-R44 IonicContact OE1-NE 3.8Å; E24-R44 PolarHBondContact OE1-NE 3Å; E24-R44 IonicContact OE1-NH2 2.64Å; E24-R44 PolarHBondContact OE1-NH2 2.87Å; E24-R44 IonicContact OE2-CZ 2.76Å; E24-R44 IonicContact OE2-NE 2.7Å; E24-R44 IonicContact OE2-NH2 3.92Å; E24-R44 PolarHBondContact OE2-NH2 2.78Å; V42-R44 HydrophobicContact CG1-CG 4.25Å; V42-R44 PolarHBondContact O-N 3.48Å; R44-M46 PolarHBondContact O-N 2.96Å; R44-R50 CarbonylContact C-O 3.55Å; R44-R50 VanDerWaalsContact CA-O 3.26Å; R44-R50 WeakPolarHBondContact CA-O 3.42Å
45	D	90.9	Very high	91.9	Very high	53 Å²	53	76.5 Å²	76.5	28%	0.283	37%	0.372	S	S	.	.			trans	-54.8	132.1	172.3	-179.8	-44.9	0	0	0	110.1	I47 T48 R49 R50 L52	D45-I47 VanDerWaalsContact C-N 3.31Å; D45-I47 PolarHBondContact O-N 2.68Å; D45-I47 WeakPolarHBondContact OD1-CA 3.49Å; D45-I47 PolarHBondContact OD1-N 3.01Å; D45-T48 VanDerWaalsContact CB-OG1 3.27Å; D45-T48 WeakPolarHBondContact CB-OG1 3.26Å; D45-T48 PolarHBondContact OD1-N 2.7Å; D45-T48 PolarHBondContact OD1-OG1 3.35Å; D45-T48 PolarHBondContact OD2-OG1 3.27Å; D45-R49 WeakPolarHBondContact O-CA 3.42Å; D45-R49 PolarHBondContact O-N 3.07Å; D45-R50 PolarHBondContact N-O 3.2Å; D45-L52 HydrophobicContact CB-CD2 4Å
46	M	86.1	Confident	91.9	Very high	169 Å²	169	78.5 Å²	78.5	83%	0.833	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-33.3	-175.1	-173.3	168.2	70.1	0	0	112.9	R44	R44-M46 PolarHBondContact O-N 2.96Å
47	I	88.6	Confident	92	Very high	150 Å²	150	75 Å²	75	77%	0.769	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-52	-176.9	-56.8	174.4	0	0	0	109.7	D45	D45-I47 VanDerWaalsContact C-N 3.31Å; D45-I47 PolarHBondContact O-N 2.68Å; D45-I47 WeakPolarHBondContact OD1-CA 3.49Å; D45-I47 PolarHBondContact OD1-N 3.01Å
48	T	89.6	Confident	92	Very high	82 Å²	82	75.2 Å²	75.2	50%	0.503	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.5	-171.5	73.6	0	0	0	0	114.2	D45 R50	D45-T48 VanDerWaalsContact CB-OG1 3.27Å; D45-T48 WeakPolarHBondContact CB-OG1 3.26Å; D45-T48 PolarHBondContact OD1-N 2.7Å; D45-T48 PolarHBondContact OD1-OG1 3.35Å; D45-T48 PolarHBondContact OD2-OG1 3.27Å; T48-R50 PolarHBondContact O-N 2.83Å
49	R	87.8	Confident	92.1	Very high	188 Å²	188	69.7 Å²	69.7	71%	0.709	33%	0.326	S	S	*	.			trans	55.4	5.1	-176.3	-61	-62	-172.7	134.4	1.9	115.8	D45	D45-R49 WeakPolarHBondContact O-CA 3.42Å; D45-R49 PolarHBondContact O-N 3.07Å
50	R	88	Confident	92	Very high	174 Å²	174	73.1 Å²	73.1	66%	0.657	34%	0.336	S	S	*	.			trans	-67.2	140.2	174.9	-169.3	179.8	-62.1	-86.1	-0.4	109.9	R44 D45 T48 L52	R44-R50 CarbonylContact C-O 3.55Å; R44-R50 VanDerWaalsContact CA-O 3.26Å; R44-R50 WeakPolarHBondContact CA-O 3.42Å; D45-R50 PolarHBondContact N-O 3.2Å; T48-R50 PolarHBondContact O-N 2.83Å; R50-L52 PolarHBondContact O-N 3.18Å
51	S	90.9	Very high	91.8	Very high	12 Å²	12	76.6 Å²	76.6	8%	0.084	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	135.5	172.4	175.7	0	0	0	0	110.8	P20 G53	P20-S51 VanDerWaalsContact O-CB 3.22Å; P20-S51 WeakPolarHBondContact O-CB 3.18Å; S51-G53 PolarHBondContact O-N 2.91Å; S51-G53 PolarHBondContact OG-N 2.83Å; S51-G53 VanDerWaalsContact OG-N 3.13Å
52	L	91.3	Very high	91.7	Very high	89 Å²	89	71.4 Å²	71.4	47%	0.466	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	5.8	173.1	-59.8	177.5	0	0	0	112.3	C43 D45 R50 Y54	C43-L52 HydrophobicContact CB-CD1 4.3Å; C43-L52 WeakPolarHBondContact O-CB 3.5Å; C43-L52 PolarHBondContact O-N 3.35Å; D45-L52 HydrophobicContact CB-CD2 4Å; R50-L52 PolarHBondContact O-N 3.18Å; L52-Y54 HydrophobicContact CB-CD1 3.86Å; L52-Y54 HydrophobicContact CB-CE1 3.53Å; L52-Y54 HydrophobicContact CD1-CE1 4.02Å; L52-Y54 HydrophobicContact CG-CE1 4.43Å
53	G	91.6	Very high	91.5	Very high	17 Å²	17	73.3 Å²	73.3	18%	0.175	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.7	14.9	179.8	0	0	0	0	0	114.4	G16 D17 L18 S51	G16-G53 CarbonylContact C-O 3.55Å; D17-G53 PolarHBondContact N-O 2.74Å; L18-G53 PolarHBondContact N-O 2.95Å; S51-G53 PolarHBondContact O-N 2.91Å; S51-G53 PolarHBondContact OG-N 2.83Å; S51-G53 VanDerWaalsContact OG-N 3.13Å
54	Y	94.3	Very high	91.6	Very high	62 Å²	62	73 Å²	73	24%	0.243	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.2	175.2	70.7	-86.6	0	0	0	113	Y14 V15 C43 L52 Y56	Y14-Y54 HydrophobicContact CD2-CD2 4.06Å; Y14-Y54 AromaticContact CE2-CD2 3.47Å; Y14-Y54 HydrophobicContact CE2-CD2 3.47Å; Y14-Y54 VanDerWaalsContact CE2-CD2 3.47Å; Y14-Y54 HydrophobicContact CE2-CE2 4.25Å; Y14-Y54 AromaticContact CE2-CG 3.65Å; Y14-Y54 HydrophobicContact CE2-CG 3.65Å; V15-Y54 CarbonylContact O-C 3.58Å; V15-Y54 WeakPolarHBondContact O-CA 3.43Å; C43-Y54 HydrophobicContact CB-CD1 4.47Å; C43-Y54 HydrophobicContact CB-CD2 3.84Å; C43-Y54 HydrophobicContact CB-CE1 4.04Å; C43-Y54 HydrophobicContact CB-CE2 3.35Å; C43-Y54 HydrophobicContact CB-CG 4.37Å; C43-Y54 VanDerWaalsContact CB-CZ 3.44Å; C43-Y54 PolarHBondContact N-O 2.97Å; C43-Y54 WeakPolarHBondContact SG-CE2 3.45Å; L52-Y54 HydrophobicContact CB-CD1 3.86Å; L52-Y54 HydrophobicContact CB-CE1 3.53Å; L52-Y54 HydrophobicContact CD1-CE1 4.02Å; L52-Y54 HydrophobicContact CG-CE1 4.43Å; Y54-Y56 HydrophobicContact CD2-CE2 4.27Å; Y54-Y56 AromaticContact CE2-CE2 3.79Å; Y54-Y56 HydrophobicContact CE2-CE2 3.79Å
55	A	95.3	Very high	91.4	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	166.4	176	0	0	0	0	0	111.1	V15 L18 L27 R41 V42	V15-A55 PolarHBondContact N-O 3.37Å; V15-A55 PolarHBondContact O-N 3.03Å; L18-A55 HydrophobicContact CD1-CB 3.74Å; L27-A55 HydrophobicContact CD1-CB 3.49Å; L27-A55 VanDerWaalsContact CD1-CB 3.49Å; R41-A55 CarbonylContact O-C 3.56Å; R41-A55 WeakPolarHBondContact O-CA 3.47Å; R41-A55 WeakPolarHBondContact O-CB 3.38Å; V42-A55 HydrophobicContact CB-CB 4.41Å; V42-A55 HydrophobicContact CG2-CB 4.12Å
56	Y	94.6	Very high	91.4	Very high	55 Å²	55	71.6 Å²	71.6	22%	0.216	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137	162.9	-61.7	-79.2	0	0	0	109.7	L13 Y14 I40 R41 Y54 S87	L13-Y56 WeakPolarHBondContact O-CA 3.38Å; Y14-Y56 AromaticContact CD2-CE1 3.86Å; Y14-Y56 HydrophobicContact CD2-CE1 3.86Å; I40-Y56 WeakPolarHBondContact CA-O 3.31Å; R41-Y56 PolarHBondContact N-O 2.85Å; R41-Y56 PolarHBondContact O-N 2.78Å; Y54-Y56 HydrophobicContact CD2-CE2 4.27Å; Y54-Y56 AromaticContact CE2-CE2 3.79Å; Y54-Y56 HydrophobicContact CE2-CE2 3.79Å; Y56-S87 WeakPolarHBondContact CD1-OG 3.31Å; Y56-S87 WeakPolarHBondContact CE1-OG 3.34Å
57	V	95.1	Very high	91.7	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123	174.7	178.7	0	0	0	0	107.3	L13 V15 F31 I37 I40 F59	L13-V57 PolarHBondContact N-O 2.84Å; L13-V57 PolarHBondContact O-N 2.82Å; V15-V57 HydrophobicContact CG2-CB 4.44Å; V15-V57 HydrophobicContact CG2-CG2 3.87Å; F31-V57 HydrophobicContact CD2-CG1 4.42Å; F31-V57 HydrophobicContact CD2-CG2 3.94Å; F31-V57 HydrophobicContact CE2-CG2 4.05Å; F31-V57 HydrophobicContact CG-CG1 4.42Å; I37-V57 HydrophobicContact CG2-CG1 3.99Å; I40-V57 HydrophobicContact CD1-CG2 4.39Å; I40-V57 HydrophobicContact CG1-CG1 4.29Å; I40-V57 HydrophobicContact CG1-CG2 4.26Å; I40-V57 HydrophobicContact CG2-CG2 4.31Å; V57-F59 HydrophobicContact CG1-CD2 4.12Å; V57-F59 HydrophobicContact CG1-CE2 3.6Å; V57-F59 HydrophobicContact CG1-CZ 4.03Å
58	N	93.4	Very high	92	Very high	30 Å²	30	61.9 Å²	61.9	16%	0.16	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.4	178.2	-55.6	-57.5	0	0	0	108.4	A11 S12 I37 L38 S39	A11-N58 WeakPolarHBondContact O-CA 3.49Å; S12-N58 VanDerWaalsContact CB-OD1 3.3Å; S12-N58 WeakPolarHBondContact CB-OD1 3.17Å; S12-N58 PolarHBondContact OG-OD1 3.17Å; I37-N58 WeakPolarHBondContact CG2-O 3.2Å; L38-N58 WeakPolarHBondContact CA-O 3.13Å; L38-N58 HydrophobicContact CB-CB 4.39Å; L38-N58 WeakPolarHBondContact CB-O 3.25Å; L38-N58 PolarHBondContact N-O 3.2Å; S39-N58 PolarHBondContact N-O 3.11Å; S39-N58 PolarHBondContact O-N 3.29Å; S39-N58 PolarHBondContact OG-ND2 3.19Å
59	F	94	Very high	92	Very high	5 Å²	5	59.4 Å²	59.4	2%	0.022	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	166.6	172.6	-72	-91	0	0	0	111.4	A11 L13 F31 A34 I37 V57 D64 A65 A68	A11-F59 HydrophobicContact CB-CB 3.99Å; A11-F59 PolarHBondContact O-N 3.42Å; L13-F59 HydrophobicContact CD1-CD2 4.36Å; L13-F59 HydrophobicContact CD1-CE2 3.8Å; L13-F59 HydrophobicContact CG-CE2 4.45Å; F31-F59 HydrophobicContact CB-CZ 4.02Å; F31-F59 HydrophobicContact CD1-CZ 4.06Å; F31-F59 HydrophobicContact CG-CZ 4.31Å; A34-F59 HydrophobicContact CB-CE1 3.98Å; A34-F59 HydrophobicContact CB-CZ 4.15Å; I37-F59 HydrophobicContact CG1-CD1 4.22Å; I37-F59 HydrophobicContact CG1-CE1 3.92Å; V57-F59 HydrophobicContact CG1-CD2 4.12Å; V57-F59 HydrophobicContact CG1-CE2 3.6Å; V57-F59 HydrophobicContact CG1-CZ 4.03Å; F59-D64 HydrophobicContact CB-CB 4.07Å; F59-D64 HydrophobicContact CD1-CB 3.66Å; F59-D64 HydrophobicContact CE1-CB 4.41Å; F59-D64 HydrophobicContact CG-CB 4.04Å; F59-A65 HydrophobicContact CB-CB 4.25Å; F59-A65 HydrophobicContact CD2-CB 3.65Å; F59-A65 HydrophobicContact CE2-CB 4.38Å; F59-A65 HydrophobicContact CG-CB 4.18Å; F59-A68 HydrophobicContact CE1-CB 4.44Å; F59-A68 HydrophobicContact CE2-CB 3.76Å; F59-A68 HydrophobicContact CZ-CB 3.54Å
60	Q	91.3	Very high	92	Very high	126 Å²	126	56 Å²	56	59%	0.589	27%	0.273	S	S	*	.	S	Bend	trans	-79.1	-31	172.8	-167.2	172.4	9.3	0	0	112.3	P36	P36-Q60 HydrophobicContact CB-CB 4.08Å; P36-Q60 PolarHBondContact O-N 2.88Å
61	Q	90.9	Very high	92.1	Very high	107 Å²	107	52.6 Å²	52.6	50%	0.5	27%	0.272	S	S	.	.	S	Bend	trans	-123.8	142.4	177.2	-58.8	-63	-21.5	0	0	111.9	A11 A63 D64 A65	A11-Q61 WeakPolarHBondContact CB-O 3.34Å; Q61-A63 VanDerWaalsContact C-N 3.28Å; Q61-A63 PolarHBondContact O-N 2.75Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.29Å; Q61-D64 WeakPolarHBondContact O-CB 3.42Å; Q61-D64 PolarHBondContact O-N 3.31Å; Q61-D64 VanDerWaalsContact O-N 3.08Å; Q61-A65 PolarHBondContact O-N 3.19Å
62	P	90.4	Very high	92.1	Very high	69 Å²	69	52.7 Å²	52.7	45%	0.448	27%	0.271	S	S	.	.	H	α-helix	trans	-57	-38.5	174.9	-26.5	35.6	0	0	0	113.5	A11 D64 A65 E66	A11-P62 HydrophobicContact CB-CG 4.37Å; P62-D64 PolarHBondContact O-N 3.5Å; P62-A65 WeakPolarHBondContact O-CB 3.42Å; P62-A65 PolarHBondContact O-N 3.23Å; P62-A65 VanDerWaalsContact O-N 3.12Å; P62-E66 PolarHBondContact O-N 3.05Å
63	A	91.4	Very high	92.1	Very high	47 Å²	47	49.8 Å²	49.8	39%	0.388	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-22.2	177.9	0	0	0	0	0	113.5	Q61 R67	Q61-A63 VanDerWaalsContact C-N 3.28Å; Q61-A63 PolarHBondContact O-N 2.75Å; A63-R67 VanDerWaalsContact C-NH1 3.3Å; A63-R67 WeakPolarHBondContact O-CG 3.5Å; A63-R67 PolarHBondContact O-N 3.24Å; A63-R67 PolarHBondContact O-NH1 2.88Å
64	D	93.3	Very high	92	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-79.8	-36.8	175.1	-55.4	-20.8	0	0	0	110.7	P36 F59 Q61 P62 R67 A68	P36-D64 WeakPolarHBondContact CD-OD2 3.3Å; F59-D64 HydrophobicContact CB-CB 4.07Å; F59-D64 HydrophobicContact CD1-CB 3.66Å; F59-D64 HydrophobicContact CE1-CB 4.41Å; F59-D64 HydrophobicContact CG-CB 4.04Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.29Å; Q61-D64 WeakPolarHBondContact O-CB 3.42Å; Q61-D64 PolarHBondContact O-N 3.31Å; Q61-D64 VanDerWaalsContact O-N 3.08Å; P62-D64 PolarHBondContact O-N 3.5Å; D64-R67 IonicContact OD1-CZ 2.71Å; D64-R67 IonicContact OD1-NH1 2.74Å; D64-R67 PolarHBondContact OD1-NH1 3.24Å; D64-R67 IonicContact OD1-NH2 3.59Å; D64-R67 PolarHBondContact OD1-NH2 3.06Å; D64-A68 WeakPolarHBondContact O-CB 3.43Å; D64-A68 PolarHBondContact O-N 2.83Å
65	A	91.4	Very high	91.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-37.6	172.4	0	0	0	0	0	112	A11 L13 F59 Q61 P62 A68 L69 W86	A11-A65 HydrophobicContact CB-CB 4.08Å; L13-A65 HydrophobicContact CD1-CB 4.19Å; L13-A65 WeakPolarHBondContact CD1-O 3.31Å; L13-A65 HydrophobicContact CD2-CB 4.06Å; L13-A65 HydrophobicContact CG-CB 4Å; F59-A65 HydrophobicContact CB-CB 4.25Å; F59-A65 HydrophobicContact CD2-CB 3.65Å; F59-A65 HydrophobicContact CE2-CB 4.38Å; F59-A65 HydrophobicContact CG-CB 4.18Å; Q61-A65 PolarHBondContact O-N 3.19Å; P62-A65 WeakPolarHBondContact O-CB 3.42Å; P62-A65 PolarHBondContact O-N 3.23Å; P62-A65 VanDerWaalsContact O-N 3.12Å; A65-A68 PolarHBondContact O-N 2.93Å; A65-L69 WeakPolarHBondContact O-CB 3.42Å; A65-L69 PolarHBondContact O-N 2.89Å; A65-W86 HydrophobicContact CB-CH2 3.81Å; A65-W86 HydrophobicContact CB-CZ3 3.76Å
66	E	90.9	Very high	91.5	Very high	109 Å²	109	54.5 Å²	54.5	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-50.7	172.6	-170	172	-145.7	0	0	111	P62 A68 L69 D70 W86	P62-E66 PolarHBondContact O-N 3.05Å; E66-A68 VanDerWaalsContact C-N 3.28Å; E66-A68 PolarHBondContact O-N 2.8Å; E66-L69 WeakPolarHBondContact O-CB 3.46Å; E66-L69 PolarHBondContact O-N 2.9Å; E66-D70 PolarHBondContact O-N 2.9Å; E66-W86 HydrophobicContact CB-CH2 4.48Å; E66-W86 HydrophobicContact CB-CZ2 4.33Å
67	R	92.6	Very high	91.4	Very high	114 Å²	114	52.7 Å²	52.7	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-57.3	-38.2	173.6	-71.9	-168	-45.5	-82.4	14.9	113.1	A34 A63 D64 T71	A34-R67 VanDerWaalsContact O-CZ 3.26Å; A34-R67 PolarHBondContact O-NE 2.92Å; A34-R67 PolarHBondContact O-NH2 2.86Å; A63-R67 VanDerWaalsContact C-NH1 3.3Å; A63-R67 WeakPolarHBondContact O-CG 3.5Å; A63-R67 PolarHBondContact O-N 3.24Å; A63-R67 PolarHBondContact O-NH1 2.88Å; D64-R67 IonicContact OD1-CZ 2.71Å; D64-R67 IonicContact OD1-NH1 2.74Å; D64-R67 PolarHBondContact OD1-NH1 3.24Å; D64-R67 IonicContact OD1-NH2 3.59Å; D64-R67 PolarHBondContact OD1-NH2 3.06Å; R67-T71 WeakPolarHBondContact O-CB 3.17Å; R67-T71 PolarHBondContact O-N 3Å; R67-T71 PolarHBondContact O-OG1 3.15Å
68	A	93.3	Very high	91	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-39.3	175.6	0	0	0	0	0	112.7	L13 F31 A34 F59 D64 A65 E66 M72	L13-A68 HydrophobicContact CD1-CB 3.84Å; F31-A68 HydrophobicContact CD1-CB 3.98Å; F31-A68 HydrophobicContact CE1-CB 4.15Å; A34-A68 HydrophobicContact CB-CB 3.68Å; F59-A68 HydrophobicContact CE1-CB 4.44Å; F59-A68 HydrophobicContact CE2-CB 3.76Å; F59-A68 HydrophobicContact CZ-CB 3.54Å; D64-A68 WeakPolarHBondContact O-CB 3.43Å; D64-A68 PolarHBondContact O-N 2.83Å; A65-A68 PolarHBondContact O-N 2.93Å; E66-A68 VanDerWaalsContact C-N 3.28Å; E66-A68 PolarHBondContact O-N 2.8Å; A68-M72 WeakPolarHBondContact O-CB 3.3Å; A68-M72 PolarHBondContact O-N 3.16Å; A68-M72 VanDerWaalsContact O-N 3.07Å
69	L	90.9	Very high	90.7	Very high	30 Å²	30	59.4 Å²	59.4	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-40.2	176.8	-179.5	65.4	0	0	0	111.8	A65 E66 N73 I84 W86	A65-L69 WeakPolarHBondContact O-CB 3.42Å; A65-L69 PolarHBondContact O-N 2.89Å; E66-L69 WeakPolarHBondContact O-CB 3.46Å; E66-L69 PolarHBondContact O-N 2.9Å; L69-N73 WeakPolarHBondContact O-CB 3.49Å; L69-I84 HydrophobicContact CB-CG2 4.5Å; L69-I84 HydrophobicContact CD1-CB 3.94Å; L69-I84 HydrophobicContact CD1-CG2 3.64Å; L69-W86 HydrophobicContact CD2-CZ2 4.32Å
70	D	87.8	Confident	90.4	Very high	116 Å²	116	64.2 Å²	64.2	62%	0.62	34%	0.344	S	S	*	.	H	α-helix	trans	-80.3	-40.3	-178.9	-68.6	-16.7	0	0	0	112.8	E66	E66-D70 PolarHBondContact O-N 2.9Å
71	T	89.1	Confident	90.3	Very high	104 Å²	104	60.3 Å²	60.3	64%	0.638	33%	0.329	S	S	*	.	H	α-helix	trans	-89.9	-28.3	-170.3	-44.1	0	0	0	0	113.3	R67	R67-T71 WeakPolarHBondContact O-CB 3.17Å; R67-T71 PolarHBondContact O-N 3Å; R67-T71 PolarHBondContact O-OG1 3.15Å
72	M	91.5	Very high	90.4	Very high	14 Å²	14	55.3 Å²	55.3	7%	0.069	31%	0.306	C	S	.	.	S	Bend	trans	-118.1	6.8	-168.4	-54.3	179.4	173.7	0	0	114.5	K30 F31 P33 A34 A68 D75 I84	K30-M72 VanDerWaalsContact O-CE 3.29Å; K30-M72 WeakPolarHBondContact O-CE 3.16Å; F31-M72 HydrophobicContact CD1-SD 3.5Å; F31-M72 WeakPolarHBondContact CD1-SD 3.12Å; F31-M72 HydrophobicContact CE1-CB 4.04Å; F31-M72 HydrophobicContact CE1-SD 3.89Å; F31-M72 HydrophobicContact CG-SD 4.38Å; P33-M72 HydrophobicContact CB-CE 4.09Å; P33-M72 HydrophobicContact CG-CE 4.39Å; A34-M72 HydrophobicContact CB-CE 3.76Å; A34-M72 HydrophobicContact CB-SD 4.13Å; A68-M72 WeakPolarHBondContact O-CB 3.3Å; A68-M72 PolarHBondContact O-N 3.16Å; A68-M72 VanDerWaalsContact O-N 3.07Å; M72-D75 WeakPolarHBondContact CA-OD2 3.42Å; M72-D75 WeakPolarHBondContact O-CB 3.34Å; M72-I84 VanDerWaalsContact C-CD1 3.47Å; M72-I84 HydrophobicContact CB-CD1 4.03Å; M72-I84 VanDerWaalsContact O-CD1 3.29Å; M72-I84 WeakPolarHBondContact O-CD1 3.35Å
73	N	90.3	Very high	90.4	Very high	27 Å²	27	54.5 Å²	54.5	14%	0.144	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	147.1	174.2	-147.8	-10.2	0	0	0	110.3	L69 D75 L82 I84	L69-N73 WeakPolarHBondContact O-CB 3.49Å; N73-D75 PolarHBondContact O-N 3Å; N73-L82 PolarHBondContact OD1-O 2.92Å; N73-I84 HydrophobicContact CB-CB 4.39Å; N73-I84 HydrophobicContact CB-CD1 4.39Å; N73-I84 HydrophobicContact CB-CG1 4.43Å; N73-I84 PolarHBondContact ND2-O 2.66Å; N73-I84 VanDerWaalsContact ND2-O 3.14Å; N73-I84 PolarHBondContact OD1-N 2.94Å
74	F	89.5	Confident	90.5	Very high	24 Å²	24	52.3 Å²	52.3	11%	0.105	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	-4.1	-177	-37.2	-54.8	0	0	0	116.4	P81 L82 N112 K113 Y116 C128	F74-P81 WeakPolarHBondContact O-CB 3.36Å; F74-L82 WeakPolarHBondContact CA-O 3.47Å; F74-L82 PolarHBondContact N-O 3.03Å; F74-N112 HydrophobicContact CB-CB 4Å; F74-N112 HydrophobicContact CD1-CB 3.31Å; F74-N112 HydrophobicContact CD2-CB 4.34Å; F74-N112 HydrophobicContact CE1-CB 3.85Å; F74-N112 HydrophobicContact CG-CB 3.6Å; F74-K113 HydrophobicContact CD2-CB 4.07Å; F74-K113 HydrophobicContact CD2-CG 4.36Å; F74-Y116 HydrophobicContact CE2-CD2 4.27Å; F74-Y116 HydrophobicContact CE2-CG 4.02Å; F74-Y116 HydrophobicContact CZ-CD2 4.06Å; F74-Y116 HydrophobicContact CZ-CG 4.22Å; F74-C128 WeakPolarHBondContact CZ-SG 3.38Å
75	D	90.2	Very high	90.4	Very high	56 Å²	56	53.5 Å²	53.5	30%	0.299	28%	0.281	S	S	.	.			trans	-53.4	141	172.7	-103.5	-60.1	0	0	0	112.5	K30 M72 N73 P81 L82	K30-D75 VanDerWaalsContact CE-CG 3.4Å; K30-D75 WeakPolarHBondContact CE-OD2 3.08Å; K30-D75 IonicContact NZ-OD1 3Å; K30-D75 PolarHBondContact NZ-OD1 3.45Å; K30-D75 VanDerWaalsContact NZ-OD1 3.07Å; K30-D75 IonicContact NZ-OD2 3.74Å; K30-D75 PolarHBondContact NZ-OD2 2.91Å; M72-D75 WeakPolarHBondContact CA-OD2 3.42Å; M72-D75 WeakPolarHBondContact O-CB 3.34Å; N73-D75 PolarHBondContact O-N 3Å; D75-P81 CarbonylContact O-C 3.46Å; D75-P81 WeakPolarHBondContact O-CA 3.3Å; D75-L82 HydrophobicContact CB-CD1 4.42Å; D75-L82 WeakPolarHBondContact O-CG 3.14Å; D75-L82 PolarHBondContact O-N 3.17Å
76	V	90	Very high	90.3	Very high	99 Å²	99	56.2 Å²	56.2	60%	0.6	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.4	-171.3	-178	0	0	0	0	112.1	R80 P81	V76-R80 CarbonylContact C-O 3.6Å; V76-R80 WeakPolarHBondContact CA-O 3.47Å; V76-P81 HydrophobicContact CG2-CB 4.5Å
77	I	91.6	Very high	90.2	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.087	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.5	168.2	-57.6	-168.7	0	0	0	109.7	V22 M26 L27 K30 G79 R80 L82	V22-I77 HydrophobicContact CG2-CG2 3.8Å; M26-I77 HydrophobicContact CE-CG2 3.93Å; L27-I77 HydrophobicContact CD2-CD1 4.26Å; K30-I77 HydrophobicContact CB-CD1 4.08Å; K30-I77 HydrophobicContact CG-CD1 4.12Å; I77-G79 PolarHBondContact O-N 2.92Å; I77-R80 PolarHBondContact N-O 3.03Å; I77-R80 PolarHBondContact O-N 3.43Å; I77-L82 HydrophobicContact CB-CD2 4.44Å; I77-L82 HydrophobicContact CD1-CD1 4.04Å; I77-L82 HydrophobicContact CD1-CD2 4.02Å; I77-L82 HydrophobicContact CD1-CG 4.33Å; I77-L82 HydrophobicContact CG1-CD1 4.33Å; I77-L82 HydrophobicContact CG1-CD2 4.14Å; I77-L82 HydrophobicContact CG1-CG 4.24Å
78	K	88.1	Confident	89.6	Confident	100 Å²	100	49.2 Å²	49.2	44%	0.435	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	45.9	-180	-70.5	-174.4	170.5	178.3	0	112.8	H19 D21 M26 R80	H19-K78 HydrophobicContact CB-CB 3.74Å; D21-K78 HydrophobicContact CB-CD 4.22Å; D21-K78 PolarHBondContact O-NZ 3.46Å; M26-K78 HydrophobicContact CE-CD 4.34Å; M26-K78 HydrophobicContact CE-CG 4.15Å; M26-K78 HydrophobicContact SD-CD 4.27Å; M26-K78 VanDerWaalsContact SD-CE 3.51Å; K78-R80 VanDerWaalsContact C-N 3.29Å; K78-R80 PolarHBondContact O-N 2.87Å
79	G	86.4	Confident	88.9	Confident	70 Å²	70	57.7 Å²	57.7	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	9	178	0	0	0	0	0	115.6	I77	I77-G79 PolarHBondContact O-N 2.92Å
80	R	87.7	Confident	88.2	Confident	107 Å²	107	59 Å²	59	40%	0.404	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.8	173.4	-63.7	-170.4	-178.5	-177.2	-4	111.8	D17 L18 V76 I77 K78	D17-R80 WeakPolarHBondContact O-CD 3.37Å; L18-R80 PolarHBondContact O-NH1 2.92Å; V76-R80 CarbonylContact C-O 3.6Å; V76-R80 WeakPolarHBondContact CA-O 3.47Å; I77-R80 PolarHBondContact N-O 3.03Å; I77-R80 PolarHBondContact O-N 3.43Å; K78-R80 VanDerWaalsContact C-N 3.29Å; K78-R80 PolarHBondContact O-N 2.87Å
81	P	89.8	Confident	87.7	Confident	44 Å²	44	56.8 Å²	56.8	29%	0.286	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.2	171.9	29.5	-33.6	0	0	0	110.3	F74 D75 V76 N112	F74-P81 WeakPolarHBondContact O-CB 3.36Å; D75-P81 CarbonylContact O-C 3.46Å; D75-P81 WeakPolarHBondContact O-CA 3.3Å; V76-P81 HydrophobicContact CG2-CB 4.5Å; P81-N112 WeakPolarHBondContact CG-ND2 3.38Å
82	L	92.1	Very high	87	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.29	C	S	.	.			trans	-64.7	143.5	170.9	-64.3	-176.5	0	0	0	110.2	V15 L18 K30 F31 N73 F74 D75 I77 I84	V15-L82 HydrophobicContact CG1-CB 4.42Å; V15-L82 HydrophobicContact CG1-CD1 4.41Å; V15-L82 HydrophobicContact CG1-CD2 3.9Å; V15-L82 HydrophobicContact CG1-CG 4.47Å; L18-L82 HydrophobicContact CD2-CD2 3.35Å; K30-L82 HydrophobicContact CG-CD1 4.45Å; F31-L82 HydrophobicContact CE2-CD1 4.34Å; F31-L82 HydrophobicContact CZ-CD1 4Å; N73-L82 PolarHBondContact OD1-O 2.92Å; F74-L82 WeakPolarHBondContact CA-O 3.47Å; F74-L82 PolarHBondContact N-O 3.03Å; D75-L82 HydrophobicContact CB-CD1 4.42Å; D75-L82 WeakPolarHBondContact O-CG 3.14Å; D75-L82 PolarHBondContact O-N 3.17Å; I77-L82 HydrophobicContact CB-CD2 4.44Å; I77-L82 HydrophobicContact CD1-CD1 4.04Å; I77-L82 HydrophobicContact CD1-CD2 4.02Å; I77-L82 HydrophobicContact CD1-CG 4.33Å; I77-L82 HydrophobicContact CG1-CD1 4.33Å; I77-L82 HydrophobicContact CG1-CD2 4.14Å; I77-L82 HydrophobicContact CG1-CG 4.24Å; L82-I84 HydrophobicContact CB-CG1 4.33Å
83	R	91.7	Very high	86.2	Confident	52 Å²	52	59.2 Å²	59.2	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	92.9	169	-170.2	167.4	62.4	88.7	9	109.8	G16 D17 M85 S127 C128	G16-R83 PolarHBondContact N-O 3.38Å; G16-R83 PolarHBondContact O-N 2.78Å; D17-R83 HydrophobicContact CB-CB 4.4Å; D17-R83 IonicContact OD2-CZ 2.76Å; D17-R83 IonicContact OD2-NE 3.77Å; D17-R83 PolarHBondContact OD2-NE 2.79Å; D17-R83 IonicContact OD2-NH2 3.97Å; R83-M85 PolarHBondContact NH1-SD 2.91Å; R83-M85 VanDerWaalsContact NH1-SD 3.42Å; R83-S127 WeakPolarHBondContact CD-OG 3.26Å; R83-S127 PolarHBondContact NH1-OG 2.72Å; R83-C128 WeakPolarHBondContact CD-O 3.36Å
84	I	92.6	Very high	85.4	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	139.4	-179	-48.1	-179.5	0	0	0	109.4	L13 Y14 V15 F31 L69 M72 N73 L82	L13-I84 HydrophobicContact CB-CG2 4.08Å; L13-I84 HydrophobicContact CD1-CG2 3.73Å; L13-I84 HydrophobicContact CD2-CG2 4.43Å; L13-I84 HydrophobicContact CG-CG2 4.3Å; Y14-I84 CarbonylContact O-C 3.52Å; Y14-I84 WeakPolarHBondContact O-CA 3.44Å; V15-I84 HydrophobicContact CG1-CG1 4.45Å; F31-I84 HydrophobicContact CE1-CD1 3.59Å; F31-I84 HydrophobicContact CZ-CD1 3.63Å; F31-I84 HydrophobicContact CZ-CG1 4.26Å; L69-I84 HydrophobicContact CB-CG2 4.5Å; L69-I84 HydrophobicContact CD1-CB 3.94Å; L69-I84 HydrophobicContact CD1-CG2 3.64Å; M72-I84 VanDerWaalsContact C-CD1 3.47Å; M72-I84 HydrophobicContact CB-CD1 4.03Å; M72-I84 VanDerWaalsContact O-CD1 3.29Å; M72-I84 WeakPolarHBondContact O-CD1 3.35Å; N73-I84 HydrophobicContact CB-CB 4.39Å; N73-I84 HydrophobicContact CB-CD1 4.39Å; N73-I84 HydrophobicContact CB-CG1 4.43Å; N73-I84 PolarHBondContact ND2-O 2.66Å; N73-I84 VanDerWaalsContact ND2-O 3.14Å; N73-I84 PolarHBondContact OD1-N 2.94Å; L82-I84 HydrophobicContact CB-CG1 4.33Å
85	M	91.1	Very high	84.4	Confident	37 Å²	37	71.7 Å²	71.7	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159.1	175.9	-54.5	178.3	57.6	0	0	109.7	L13 Y14 R83 L126 S127	L13-M85 CarbonylContact C-O 3.52Å; L13-M85 WeakPolarHBondContact CA-O 3.23Å; Y14-M85 HydrophobicContact CD1-CB 4.26Å; Y14-M85 HydrophobicContact CD1-CG 4.26Å; Y14-M85 HydrophobicContact CD1-SD 4.12Å; Y14-M85 HydrophobicContact CE1-SD 4.35Å; Y14-M85 PolarHBondContact N-O 3.38Å; Y14-M85 PolarHBondContact O-N 2.89Å; R83-M85 PolarHBondContact NH1-SD 2.91Å; R83-M85 VanDerWaalsContact NH1-SD 3.42Å; M85-L126 WeakPolarHBondContact CG-O 3.34Å; M85-S127 PolarHBondContact SD-OG 2.8Å
86	W	90.1	Very high	83.5	Confident	57 Å²	57	72 Å²	72	22%	0.216	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	140.6	163.9	-70.4	110.1	0	0	0	111.1	Y8 L13 A65 E66 L69 Q88	Y8-W86 HydrophobicContact CD2-CD2 4.03Å; Y8-W86 HydrophobicContact CD2-CE3 4.15Å; Y8-W86 HydrophobicContact CD2-CG 4.23Å; Y8-W86 HydrophobicContact CE1-CB 4.13Å; Y8-W86 HydrophobicContact CE2-CB 3.98Å; Y8-W86 HydrophobicContact CE2-CD2 4.01Å; Y8-W86 AromaticContact CE2-CG 3.72Å; Y8-W86 HydrophobicContact CE2-CG 3.72Å; Y8-W86 HydrophobicContact CG-CE3 4.41Å; L13-W86 HydrophobicContact CD2-CD2 4.08Å; L13-W86 HydrophobicContact CD2-CE3 3.67Å; L13-W86 HydrophobicContact CD2-CH2 4.41Å; L13-W86 HydrophobicContact CD2-CZ3 3.86Å; A65-W86 HydrophobicContact CB-CH2 3.81Å; A65-W86 HydrophobicContact CB-CZ3 3.76Å; E66-W86 HydrophobicContact CB-CH2 4.48Å; E66-W86 HydrophobicContact CB-CZ2 4.33Å; L69-W86 HydrophobicContact CD2-CZ2 4.32Å; W86-Q88 PolarHBondContact O-N 2.77Å
87	S	87.1	Confident	82.6	Confident	17 Å²	17	69.1 Å²	69.1	12%	0.119	36%	0.357	C	S	.	.			trans	-78.3	77.6	-172.1	176	0	0	0	0	113.3	S12 Y56 R89	S12-S87 WeakPolarHBondContact O-CB 3.42Å; S12-S87 PolarHBondContact O-N 3.03Å; Y56-S87 WeakPolarHBondContact CD1-OG 3.31Å; Y56-S87 WeakPolarHBondContact CE1-OG 3.34Å; S87-R89 PolarHBondContact O-N 2.78Å
88	Q	81.5	Confident	82.1	Confident	60 Å²	60	72 Å²	72	28%	0.28	38%	0.375	S	S	.	.			trans	-65.2	118.2	175.8	-164.9	60.1	19.4	0	0	112.1	W86 L93 R94	W86-Q88 PolarHBondContact O-N 2.77Å; Q88-L93 HydrophobicContact CG-CB 4.05Å; Q88-R94 HydrophobicContact CB-CG 3.92Å; Q88-R94 HydrophobicContact CG-CG 4.03Å; Q88-R94 WeakPolarHBondContact O-CD 3.26Å; Q88-R94 PolarHBondContact O-NE 2.96Å
89	R	77.1	Confident	81.9	Confident	177 Å²	177	67.3 Å²	67.3	67%	0.668	36%	0.356	S	S	*	.			trans	-81.8	-40.2	177.4	-69.6	-179	180	-102.8	3.9	112.5	M10 S87 P91 R94	M10-R89 PolarHBondContact SD-NH2 2.74Å; S87-R89 PolarHBondContact O-N 2.78Å; R89-P91 WeakPolarHBondContact O-CD 3.47Å; R89-R94 PolarHBondContact O-NH2 3.05Å
90	D	77.8	Confident	82.1	Confident	57 Å²	57	65.8 Å²	65.8	31%	0.305	33%	0.331	S	S	.	.			trans	-56.2	125.6	-178.5	-176.4	-2	0	0	0	111.7	S92 L93 R94	D90-S92 VanDerWaalsContact C-N 3.32Å; D90-S92 VanDerWaalsContact CG-OG 3.23Å; D90-S92 VanDerWaalsContact OD1-CB 3.32Å; D90-S92 WeakPolarHBondContact OD1-CB 3.37Å; D90-S92 PolarHBondContact OD1-N 2.9Å; D90-S92 PolarHBondContact OD1-OG 3.16Å; D90-S92 VanDerWaalsContact OD1-OG 3.11Å; D90-S92 PolarHBondContact OD2-OG 3Å; D90-L93 HydrophobicContact CB-CB 4.42Å; D90-L93 HydrophobicContact CB-CD1 4.31Å; D90-L93 WeakPolarHBondContact OD2-CD1 3.46Å; D90-R94 WeakPolarHBondContact O-CG 3.27Å; D90-R94 PolarHBondContact O-NE 3.44Å
91	P	75.9	Confident	82.4	Confident	70 Å²	70	60.8 Å²	60.8	46%	0.455	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-29.5	171.1	-20.5	33.4	0	0	0	114.2	R89 K95	R89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-K95 VanDerWaalsContact O-CB 3.27Å; P91-K95 WeakPolarHBondContact O-CB 3.34Å; P91-K95 VanDerWaalsContact O-CG 3.26Å; P91-K95 WeakPolarHBondContact O-CG 3.2Å; P91-K95 PolarHBondContact O-N 3.33Å; P91-K95 VanDerWaalsContact O-N 3.09Å
92	S	75.8	Confident	82.6	Confident	73 Å²	73	60.1 Å²	60.1	51%	0.51	31%	0.305	S	S	.	.	H	α-helix	trans	-68.1	-56.3	-175.4	87	0	0	0	0	110.7	D90 R94 K95 S96	D90-S92 VanDerWaalsContact C-N 3.32Å; D90-S92 VanDerWaalsContact CG-OG 3.23Å; D90-S92 VanDerWaalsContact OD1-CB 3.32Å; D90-S92 WeakPolarHBondContact OD1-CB 3.37Å; D90-S92 PolarHBondContact OD1-N 2.9Å; D90-S92 PolarHBondContact OD1-OG 3.16Å; D90-S92 VanDerWaalsContact OD1-OG 3.11Å; D90-S92 PolarHBondContact OD2-OG 3Å; S92-R94 PolarHBondContact O-N 3.39Å; S92-K95 CarbonylContact O-C 3.5Å; S92-K95 PolarHBondContact O-N 3.02Å; S92-S96 WeakPolarHBondContact O-CB 3.42Å; S92-S96 PolarHBondContact O-N 3.4Å
93	L	73.3	Confident	82.6	Confident	97 Å²	97	60 Å²	60	51%	0.508	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-29.6	176.6	-71.4	165.9	0	0	0	112.6	Q88 D90	Q88-L93 HydrophobicContact CG-CB 4.05Å; D90-L93 HydrophobicContact CB-CB 4.42Å; D90-L93 HydrophobicContact CB-CD1 4.31Å; D90-L93 WeakPolarHBondContact OD2-CD1 3.46Å
94	R	73.3	Confident	82.6	Confident	138 Å²	138	63.2 Å²	63.2	52%	0.521	32%	0.32	S	S	.	.	H	α-helix	trans	-77	-19.5	173.2	-74.6	-172.9	-70.1	160.3	-2.4	115.1	Q88 R89 D90 S92	Q88-R94 HydrophobicContact CB-CG 3.92Å; Q88-R94 HydrophobicContact CG-CG 4.03Å; Q88-R94 WeakPolarHBondContact O-CD 3.26Å; Q88-R94 PolarHBondContact O-NE 2.96Å; R89-R94 PolarHBondContact O-NH2 3.05Å; D90-R94 WeakPolarHBondContact O-CG 3.27Å; D90-R94 PolarHBondContact O-NE 3.44Å; S92-R94 PolarHBondContact O-N 3.39Å
95	K	69.4	Low	82.6	Confident	174 Å²	174	67.1 Å²	67.1	76%	0.757	34%	0.34	S	S	*	.	H	α-helix	trans	-114.3	-12.3	-175.3	-71	177	179.2	176.8	0	114.1	P91 S92 G97	P91-K95 VanDerWaalsContact O-CB 3.27Å; P91-K95 WeakPolarHBondContact O-CB 3.34Å; P91-K95 VanDerWaalsContact O-CG 3.26Å; P91-K95 WeakPolarHBondContact O-CG 3.2Å; P91-K95 PolarHBondContact O-N 3.33Å; P91-K95 VanDerWaalsContact O-N 3.09Å; S92-K95 CarbonylContact O-C 3.5Å; S92-K95 PolarHBondContact O-N 3.02Å; K95-G97 PolarHBondContact O-N 3.16Å; K95-G97 VanDerWaalsContact O-N 3.11Å
96	S	72.3	Confident	82.6	Confident	64 Å²	64	65.3 Å²	65.3	45%	0.448	33%	0.332	S	S	.	.	S	Bend	trans	-55.8	-31.1	-174.3	70.3	0	0	0	0	113.6	S92 V98	S92-S96 WeakPolarHBondContact O-CB 3.42Å; S92-S96 PolarHBondContact O-N 3.4Å; S96-V98 PolarHBondContact O-N 3.13Å; S96-V98 VanDerWaalsContact O-N 3.13Å; S96-V98 PolarHBondContact OG-N 3.1Å
97	G	71.2	Confident	82.6	Confident	37 Å²	37	63.9 Å²	63.9	38%	0.381	33%	0.328	S	S	.	.			trans	73.1	-7.9	-175.8	0	0	0	0	0	114	K95 N100	K95-G97 PolarHBondContact O-N 3.16Å; K95-G97 VanDerWaalsContact O-N 3.11Å; G97-N100 WeakPolarHBondContact CA-ND2 3.06Å; G97-N100 WeakPolarHBondContact O-CB 3.29Å; G97-N100 PolarHBondContact O-N 2.54Å; G97-N100 VanDerWaalsContact O-N 3.13Å; G97-N100 PolarHBondContact O-ND2 2.88Å; G97-N100 VanDerWaalsContact O-ND2 3.11Å
98	V	79.6	Confident	82.7	Confident	77 Å²	77	69.3 Å²	69.3	47%	0.467	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	137.5	-179.9	-178.1	0	0	0	0	109.9	S96 N100 H144 H148	S96-V98 PolarHBondContact O-N 3.13Å; S96-V98 VanDerWaalsContact O-N 3.13Å; S96-V98 PolarHBondContact OG-N 3.1Å; V98-N100 PolarHBondContact O-N 2.79Å; V98-H144 PolarHBondContact O-CE1 2.72Å; V98-H148 HydrophobicContact CG1-CB 3.81Å
99	G	84.8	Confident	83.1	Confident	3 Å²	3	70.2 Å²	70.2	3%	0.031	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	-1.2	-177.3	0	0	0	0	0	115.6	F145	G99-F145 PolarHBondContact O-N 2.73Å
100	N	91.1	Very high	83.7	Confident	38 Å²	38	62.3 Å²	62.3	20%	0.203	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.8	175.8	-73	-82.8	0	0	0	112.3	G97 V98 H144 F173	G97-N100 WeakPolarHBondContact CA-ND2 3.06Å; G97-N100 WeakPolarHBondContact O-CB 3.29Å; G97-N100 PolarHBondContact O-N 2.54Å; G97-N100 VanDerWaalsContact O-N 3.13Å; G97-N100 PolarHBondContact O-ND2 2.88Å; G97-N100 VanDerWaalsContact O-ND2 3.11Å; V98-N100 PolarHBondContact O-N 2.79Å; N100-H144 WeakPolarHBondContact OD1-CB 3.24Å; N100-F173 HydrophobicContact CB-CB 3.56Å; N100-F173 HydrophobicContact CB-CD1 4.2Å; N100-F173 HydrophobicContact CB-CG 4.07Å; N100-F173 VanDerWaalsContact O-CB 3.3Å; N100-F173 WeakPolarHBondContact O-CB 3.35Å; N100-F173 PolarHBondContact O-N 2.68Å
101	I	93.1	Very high	84.3	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	151.4	169.9	66.2	162.9	0	0	0	111.4	I103 F119 F142 V143 F145 A151 A154 I155 V170 G171	I101-I103 HydrophobicContact CD1-CD1 3.94Å; I101-I103 HydrophobicContact CD1-CG1 4.03Å; I101-I103 HydrophobicContact CG1-CG1 4.46Å; I101-F119 HydrophobicContact CD1-CD1 3.81Å; I101-F119 HydrophobicContact CD1-CE1 3.76Å; I101-F142 WeakPolarHBondContact O-CA 3.26Å; I101-V143 HydrophobicContact CD1-CB 4.03Å; I101-V143 HydrophobicContact CG1-CB 3.7Å; I101-V143 WeakPolarHBondContact CG1-O 3.32Å; I101-V143 PolarHBondContact N-O 3.12Å; I101-V143 PolarHBondContact O-N 3.37Å; I101-V143 VanDerWaalsContact O-N 3.14Å; I101-F145 HydrophobicContact CD1-CE2 3.79Å; I101-F145 HydrophobicContact CG1-CE2 4.15Å; I101-A151 HydrophobicContact CG2-CB 3.54Å; I101-A154 HydrophobicContact CD1-CB 4.25Å; I101-I155 HydrophobicContact CG2-CD1 3.83Å; I101-I155 HydrophobicContact CG2-CG1 3.89Å; I101-V170 HydrophobicContact CB-CG1 4.45Å; I101-V170 HydrophobicContact CD1-CG1 3.73Å; I101-G171 CarbonylContact C-O 3.59Å; I101-G171 WeakPolarHBondContact CA-O 3.23Å
102	F	93.5	Very high	85	Confident	31 Å²	31	60.4 Å²	60.4	14%	0.136	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.2	172.8	168.6	-121.1	0	0	0	109.4	K104 Y140 G141 F142 G171	F102-K104 HydrophobicContact CE1-CB 3.86Å; F102-K104 HydrophobicContact CE1-CD 4.14Å; F102-K104 HydrophobicContact CE1-CG 4.35Å; F102-K104 HydrophobicContact CZ-CB 3.78Å; F102-K104 HydrophobicContact CZ-CD 4.19Å; F102-K104 HydrophobicContact CZ-CG 4.07Å; F102-Y140 AromaticContact CE2-CD2 3.81Å; F102-Y140 HydrophobicContact CE2-CD2 3.81Å; F102-Y140 HydrophobicContact CE2-CG 4.18Å; F102-G141 WeakPolarHBondContact CD2-O 3.28Å; F102-F142 HydrophobicContact CB-CD1 4.29Å; F102-F142 HydrophobicContact CB-CE1 4.39Å; F102-F142 AromaticContact CD2-CD1 3.81Å; F102-F142 HydrophobicContact CD2-CD1 3.81Å; F102-F142 AromaticContact CD2-CE1 3.38Å; F102-F142 HydrophobicContact CD2-CE1 3.38Å; F102-F142 HydrophobicContact CD2-CZ 4.19Å; F102-F142 HydrophobicContact CE2-CE1 4.03Å; F102-F142 HydrophobicContact CE2-CZ 4.42Å; F102-F142 HydrophobicContact CG-CE1 4.23Å; F102-G171 PolarHBondContact N-O 2.89Å; F102-G171 PolarHBondContact O-N 2.84Å; F102-G171 VanDerWaalsContact O-N 3.07Å
103	I	92.9	Very high	85.6	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.4	-177.2	-57.8	165.8	0	0	0	108.1	I101 L106 L115 F119 Y140 G141 V143 V168 F169 V170	I101-I103 HydrophobicContact CD1-CD1 3.94Å; I101-I103 HydrophobicContact CD1-CG1 4.03Å; I101-I103 HydrophobicContact CG1-CG1 4.46Å; I103-L106 HydrophobicContact CG2-CD1 4.11Å; I103-L115 HydrophobicContact CD1-CD1 3.81Å; I103-L115 HydrophobicContact CD1-CG 4.45Å; I103-F119 HydrophobicContact CD1-CD1 4.28Å; I103-F119 HydrophobicContact CD1-CD2 4.05Å; I103-F119 HydrophobicContact CD1-CE1 3.84Å; I103-F119 HydrophobicContact CD1-CE2 3.61Å; I103-F119 HydrophobicContact CD1-CG 4.38Å; I103-F119 HydrophobicContact CD1-CZ 3.49Å; I103-F119 VanDerWaalsContact CD1-CZ 3.49Å; I103-F119 HydrophobicContact CG1-CE1 4.48Å; I103-F119 HydrophobicContact CG1-CZ 4.16Å; I103-Y140 CarbonylContact O-C 3.56Å; I103-Y140 WeakPolarHBondContact O-CA 3.47Å; I103-Y140 VanDerWaalsContact O-CB 3.27Å; I103-Y140 WeakPolarHBondContact O-CB 3.38Å; I103-G141 PolarHBondContact N-O 2.83Å; I103-G141 PolarHBondContact O-N 2.85Å; I103-V143 HydrophobicContact CD1-CG2 3.64Å; I103-V168 HydrophobicContact CG2-CB 4.46Å; I103-F169 CarbonylContact C-O 3.58Å; I103-F169 WeakPolarHBondContact CA-O 3.47Å; I103-V170 HydrophobicContact CG1-CG1 4.21Å; I103-V170 HydrophobicContact CG1-CG2 4.27Å; I103-V170 HydrophobicContact CG2-CG2 4.4Å
104	K	92.1	Very high	86.4	Confident	119 Å²	119	58.9 Å²	58.9	52%	0.517	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.9	-174.9	-171.3	-173.3	175	-167.5	0	110.6	F102 L106 F169	F102-K104 HydrophobicContact CE1-CB 3.86Å; F102-K104 HydrophobicContact CE1-CD 4.14Å; F102-K104 HydrophobicContact CE1-CG 4.35Å; F102-K104 HydrophobicContact CZ-CB 3.78Å; F102-K104 HydrophobicContact CZ-CD 4.19Å; F102-K104 HydrophobicContact CZ-CG 4.07Å; K104-L106 PolarHBondContact O-N 2.91Å; K104-F169 HydrophobicContact CB-CB 4.33Å; K104-F169 HydrophobicContact CB-CD1 4.31Å; K104-F169 PolarHBondContact N-O 3.23Å; K104-F169 PolarHBondContact O-N 2.88Å
105	N	90.9	Very high	87.3	Confident	82 Å²	82	52.4 Å²	52.4	44%	0.439	28%	0.281	S	S	.	.	S	Bend	trans	63.6	30.3	-174.3	-161.3	48.8	0	0	0	113	G139 R166 K167	N105-G139 WeakPolarHBondContact CA-O 3.37Å; N105-G139 PolarHBondContact N-O 3.48Å; N105-R166 WeakPolarHBondContact O-CB 3.44Å; N105-K167 PolarHBondContact ND2-O 3.49Å
106	L	91.4	Very high	88.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.			trans	-63.5	146.3	170.4	-162.9	69.1	0	0	0	109.5	I103 K104 I110 L115 V130 G139 L163 V168	I103-L106 HydrophobicContact CG2-CD1 4.11Å; K104-L106 PolarHBondContact O-N 2.91Å; L106-I110 HydrophobicContact CD1-CB 4.29Å; L106-I110 HydrophobicContact CD1-CD1 3.66Å; L106-I110 HydrophobicContact CD1-CG2 4.07Å; L106-I110 HydrophobicContact CD2-CB 4.09Å; L106-I110 HydrophobicContact CD2-CG2 3.92Å; L106-I110 HydrophobicContact CG-CB 3.97Å; L106-I110 HydrophobicContact CG-CD1 3.97Å; L106-I110 HydrophobicContact CG-CG2 4.1Å; L106-L115 HydrophobicContact CD1-CD1 4.05Å; L106-L115 HydrophobicContact CD2-CD1 4.12Å; L106-V130 HydrophobicContact CD2-CG1 4.37Å; L106-V130 HydrophobicContact CD2-CG2 3.79Å; L106-G139 PolarHBondContact N-O 3.46Å; L106-G139 VanDerWaalsContact O-CA 3.3Å; L106-G139 WeakPolarHBondContact O-CA 3.3Å; L106-L163 HydrophobicContact CD1-CD2 4.19Å; L106-V168 HydrophobicContact CD1-CG1 4.07Å
107	D	90.5	Very high	89.2	Confident	26 Å²	26	47.7 Å²	47.7	14%	0.139	26%	0.255	C	S	.	.			trans	-64.5	151.5	170.6	-164.8	-76.4	0	0	0	111	S109 I110 N164 R166	D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 3.38Å; D107-S109 VanDerWaalsContact OD1-CB 3.3Å; D107-S109 WeakPolarHBondContact OD1-CB 3.35Å; D107-S109 PolarHBondContact OD1-N 3.1Å; D107-S109 PolarHBondContact OD1-OG 2.97Å; D107-I110 HydrophobicContact CB-CD1 3.91Å; D107-I110 HydrophobicContact CB-CG1 4.17Å; D107-I110 PolarHBondContact O-N 3.42Å; D107-N164 HydrophobicContact CB-CB 3.87Å; D107-R166 HydrophobicContact CB-CG 4.43Å; D107-R166 VanDerWaalsContact CG-NH2 3.31Å; D107-R166 IonicContact OD1-NH2 3.5Å; D107-R166 IonicContact OD2-CZ 3.51Å; D107-R166 IonicContact OD2-NE 3.58Å; D107-R166 PolarHBondContact OD2-NE 3.39Å; D107-R166 IonicContact OD2-NH2 2.84Å; D107-R166 PolarHBondContact OD2-NH2 2.86Å
108	K	90.3	Very high	90.2	Very high	132 Å²	132	48.6 Å²	48.6	57%	0.574	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.2	178.9	-69.5	-168	171.2	-170.5	0	113.3	I110 S137	K108-I110 VanDerWaalsContact C-N 3.32Å; K108-S137 WeakPolarHBondContact CE-O 3.19Å
109	S	89.4	Confident	90.8	Very high	78 Å²	78	44.9 Å²	44.9	55%	0.545	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.1	173.7	57.9	0	0	0	0	113.7	D107 D111 N164	D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 3.38Å; D107-S109 VanDerWaalsContact OD1-CB 3.3Å; D107-S109 WeakPolarHBondContact OD1-CB 3.35Å; D107-S109 PolarHBondContact OD1-N 3.1Å; D107-S109 PolarHBondContact OD1-OG 2.97Å; S109-D111 PolarHBondContact O-N 3.33Å; S109-N164 PolarHBondContact OG-ND2 2.87Å; S109-N164 VanDerWaalsContact OG-ND2 3.1Å
110	I	89.3	Confident	91.2	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.056	25%	0.247	C	C	.	.			trans	-83.5	119.1	-177.6	-60.2	167.9	0	0	0	108.8	L106 D107 K108 A114 L115 L163	L106-I110 HydrophobicContact CD1-CB 4.29Å; L106-I110 HydrophobicContact CD1-CD1 3.66Å; L106-I110 HydrophobicContact CD1-CG2 4.07Å; L106-I110 HydrophobicContact CD2-CB 4.09Å; L106-I110 HydrophobicContact CD2-CG2 3.92Å; L106-I110 HydrophobicContact CG-CB 3.97Å; L106-I110 HydrophobicContact CG-CD1 3.97Å; L106-I110 HydrophobicContact CG-CG2 4.1Å; D107-I110 HydrophobicContact CB-CD1 3.91Å; D107-I110 HydrophobicContact CB-CG1 4.17Å; D107-I110 PolarHBondContact O-N 3.42Å; K108-I110 VanDerWaalsContact C-N 3.32Å; I110-A114 HydrophobicContact CG2-CB 4.08Å; I110-L115 HydrophobicContact CG2-CB 4.36Å; I110-L163 HydrophobicContact CD1-CB 4.08Å; I110-L163 HydrophobicContact CD1-CD2 4.17Å; I110-L163 HydrophobicContact CD1-CG 4.48Å
111	D	89.6	Confident	91.2	Very high	74 Å²	74	49.6 Å²	49.6	40%	0.396	27%	0.271	S	S	.	.			trans	-95.4	-171.6	177.6	84	-52.5	0	0	0	111.3	S109 K113 A114 L115 V130	S109-D111 PolarHBondContact O-N 3.33Å; D111-K113 VanDerWaalsContact CG-N 3.35Å; D111-K113 PolarHBondContact OD1-N 2.95Å; D111-K113 WeakPolarHBondContact OD2-CB 3.39Å; D111-K113 PolarHBondContact OD2-N 3.43Å; D111-A114 VanDerWaalsContact OD1-CB 3.25Å; D111-A114 WeakPolarHBondContact OD1-CB 3.38Å; D111-A114 PolarHBondContact OD1-N 2.84Å; D111-L115 WeakPolarHBondContact O-CB 3.48Å; D111-L115 PolarHBondContact O-N 3.25Å; D111-V130 WeakPolarHBondContact O-CG2 3.41Å
112	N	90.5	Very high	91.2	Very high	14 Å²	14	51.1 Å²	51.1	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-36.1	178.7	-50.7	-79.9	0	0	0	112	F74 P81 L115 Y116 C128 K129 V130	F74-N112 HydrophobicContact CB-CB 4Å; F74-N112 HydrophobicContact CD1-CB 3.31Å; F74-N112 HydrophobicContact CD2-CB 4.34Å; F74-N112 HydrophobicContact CE1-CB 3.85Å; F74-N112 HydrophobicContact CG-CB 3.6Å; P81-N112 WeakPolarHBondContact CG-ND2 3.38Å; N112-L115 PolarHBondContact O-N 3.41Å; N112-Y116 PolarHBondContact O-N 3.42Å; N112-C128 PolarHBondContact O-SG 2.95Å; N112-C128 VanDerWaalsContact O-SG 3.41Å; N112-K129 WeakPolarHBondContact OD1-CA 2.87Å; N112-V130 PolarHBondContact OD1-N 3.32Å
113	K	88.8	Confident	91	Very high	105 Å²	105	50.7 Å²	50.7	46%	0.457	28%	0.282	S	S	.	.	H	α-helix	trans	-70.5	-48.9	-178.7	-164.2	-160.2	178.8	-56.9	0	111.3	F74 D111 L115 Y116 D117	F74-K113 HydrophobicContact CD2-CB 4.07Å; F74-K113 HydrophobicContact CD2-CG 4.36Å; D111-K113 VanDerWaalsContact CG-N 3.35Å; D111-K113 PolarHBondContact OD1-N 2.95Å; D111-K113 WeakPolarHBondContact OD2-CB 3.39Å; D111-K113 PolarHBondContact OD2-N 3.43Å; K113-L115 PolarHBondContact O-N 3.5Å; K113-Y116 WeakPolarHBondContact O-CB 3.13Å; K113-Y116 PolarHBondContact O-N 2.87Å; K113-D117 IonicContact NZ-OD1 3.37Å; K113-D117 PolarHBondContact NZ-OD1 2.81Å; K113-D117 IonicContact NZ-OD2 3.98Å; K113-D117 PolarHBondContact NZ-OD2 3.1Å; K113-D117 WeakPolarHBondContact O-CB 3.38Å; K113-D117 PolarHBondContact O-N 3.05Å
114	A	90.8	Very high	90.8	Very high	33 Å²	33	54.6 Å²	54.6	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-32.4	176	0	0	0	0	0	112.1	I110 D111 T118	I110-A114 HydrophobicContact CG2-CB 4.08Å; D111-A114 VanDerWaalsContact OD1-CB 3.25Å; D111-A114 WeakPolarHBondContact OD1-CB 3.38Å; D111-A114 PolarHBondContact OD1-N 2.84Å; A114-T118 VanDerWaalsContact O-CB 3.32Å; A114-T118 WeakPolarHBondContact O-CB 3.4Å; A114-T118 PolarHBondContact O-N 2.82Å; A114-T118 PolarHBondContact O-OG1 3.39Å
115	L	91.4	Very high	90.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-43.8	172.3	-166.5	71.1	0	0	0	112.2	I103 L106 I110 D111 N112 K113 F119 C128 V130 V143	I103-L115 HydrophobicContact CD1-CD1 3.81Å; I103-L115 HydrophobicContact CD1-CG 4.45Å; L106-L115 HydrophobicContact CD1-CD1 4.05Å; L106-L115 HydrophobicContact CD2-CD1 4.12Å; I110-L115 HydrophobicContact CG2-CB 4.36Å; D111-L115 WeakPolarHBondContact O-CB 3.48Å; D111-L115 PolarHBondContact O-N 3.25Å; N112-L115 PolarHBondContact O-N 3.41Å; K113-L115 PolarHBondContact O-N 3.5Å; L115-F119 HydrophobicContact CD1-CD2 3.96Å; L115-F119 HydrophobicContact CD1-CE2 3.92Å; L115-F119 HydrophobicContact CG-CD2 4.43Å; L115-F119 WeakPolarHBondContact O-CD2 3.42Å; L115-F119 PolarHBondContact O-N 3.22Å; L115-F119 VanDerWaalsContact O-N 3.12Å; L115-C128 HydrophobicContact CD2-CB 4.3Å; L115-V130 HydrophobicContact CB-CG2 4.28Å; L115-V130 HydrophobicContact CD2-CG2 3.86Å; L115-V143 HydrophobicContact CD2-CG2 3.96Å; L115-V143 HydrophobicContact CG-CG2 4.05Å
116	Y	91.4	Very high	90.7	Very high	66 Å²	66	48 Å²	48	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-55.1	174.2	-176.8	-92	0	0	0	111.1	F74 N112 K113 T118 F119 S120 I125	F74-Y116 HydrophobicContact CE2-CD2 4.27Å; F74-Y116 HydrophobicContact CE2-CG 4.02Å; F74-Y116 HydrophobicContact CZ-CD2 4.06Å; F74-Y116 HydrophobicContact CZ-CG 4.22Å; N112-Y116 PolarHBondContact O-N 3.42Å; K113-Y116 WeakPolarHBondContact O-CB 3.13Å; K113-Y116 PolarHBondContact O-N 2.87Å; Y116-T118 VanDerWaalsContact C-N 3.29Å; Y116-T118 PolarHBondContact O-N 2.86Å; Y116-F119 PolarHBondContact O-N 3.35Å; Y116-S120 WeakPolarHBondContact O-CB 3.33Å; Y116-S120 PolarHBondContact O-N 3.39Å; Y116-I125 HydrophobicContact CD2-CB 4Å; Y116-I125 HydrophobicContact CD2-CD1 4.15Å; Y116-I125 HydrophobicContact CD2-CG2 3.83Å; Y116-I125 HydrophobicContact CE2-CB 3.72Å; Y116-I125 HydrophobicContact CE2-CD1 4.5Å; Y116-I125 HydrophobicContact CE2-CG2 3.92Å
117	D	91.3	Very high	90.5	Very high	74 Å²	74	48.4 Å²	48.4	40%	0.396	28%	0.276	S	S	.	.	H	α-helix	trans	-52.6	-48.2	-179.1	-63.6	-17	0	0	0	110.4	K113 S120	K113-D117 IonicContact NZ-OD1 3.37Å; K113-D117 PolarHBondContact NZ-OD1 2.81Å; K113-D117 IonicContact NZ-OD2 3.98Å; K113-D117 PolarHBondContact NZ-OD2 3.1Å; K113-D117 WeakPolarHBondContact O-CB 3.38Å; K113-D117 PolarHBondContact O-N 3.05Å; D117-S120 PolarHBondContact O-OG 2.89Å
118	T	90.7	Very high	90.5	Very high	55 Å²	55	47.3 Å²	47.3	34%	0.337	27%	0.27	S	S	.	.	H	α-helix	trans	-66	-42.3	-179.2	-54.3	0	0	0	0	113.4	A114 Y116 M158 L163	A114-T118 VanDerWaalsContact O-CB 3.32Å; A114-T118 WeakPolarHBondContact O-CB 3.4Å; A114-T118 PolarHBondContact O-N 2.82Å; A114-T118 PolarHBondContact O-OG1 3.39Å; Y116-T118 VanDerWaalsContact C-N 3.29Å; Y116-T118 PolarHBondContact O-N 2.86Å; T118-M158 HydrophobicContact CG2-CE 3.72Å; T118-L163 HydrophobicContact CG2-CD2 4.27Å
119	F	92.3	Very high	90.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-88.9	-16.1	-174	-80.9	-95.7	0	0	0	113.8	I101 I103 L115 Y116 A121 F122 I125 V143 F145 A154 M158 V170	I101-F119 HydrophobicContact CD1-CD1 3.81Å; I101-F119 HydrophobicContact CD1-CE1 3.76Å; I103-F119 HydrophobicContact CD1-CD1 4.28Å; I103-F119 HydrophobicContact CD1-CD2 4.05Å; I103-F119 HydrophobicContact CD1-CE1 3.84Å; I103-F119 HydrophobicContact CD1-CE2 3.61Å; I103-F119 HydrophobicContact CD1-CG 4.38Å; I103-F119 HydrophobicContact CD1-CZ 3.49Å; I103-F119 VanDerWaalsContact CD1-CZ 3.49Å; I103-F119 HydrophobicContact CG1-CE1 4.48Å; I103-F119 HydrophobicContact CG1-CZ 4.16Å; L115-F119 HydrophobicContact CD1-CD2 3.96Å; L115-F119 HydrophobicContact CD1-CE2 3.92Å; L115-F119 HydrophobicContact CG-CD2 4.43Å; L115-F119 WeakPolarHBondContact O-CD2 3.42Å; L115-F119 PolarHBondContact O-N 3.22Å; L115-F119 VanDerWaalsContact O-N 3.12Å; Y116-F119 PolarHBondContact O-N 3.35Å; F119-A121 PolarHBondContact O-N 2.94Å; F119-A121 VanDerWaalsContact O-N 3.12Å; F119-F122 HydrophobicContact CD1-CD2 4.18Å; F119-F122 HydrophobicContact CD1-CE2 4.41Å; F119-F122 WeakPolarHBondContact O-CD2 3.26Å; F119-F122 PolarHBondContact O-N 2.88Å; F119-F122 VanDerWaalsContact O-N 3.13Å; F119-I125 HydrophobicContact CB-CD1 3.75Å; F119-V143 HydrophobicContact CB-CG1 4.41Å; F119-V143 HydrophobicContact CB-CG2 4.4Å; F119-V143 HydrophobicContact CG-CG2 4.35Å; F119-F145 HydrophobicContact CB-CZ 4.09Å; F119-F145 HydrophobicContact CD1-CZ 4.21Å; F119-F145 WeakPolarHBondContact O-CE1 3.45Å; F119-A154 HydrophobicContact CD1-CB 4.13Å; F119-A154 HydrophobicContact CE1-CB 4.32Å; F119-M158 HydrophobicContact CE1-CB 4.04Å; F119-M158 HydrophobicContact CE1-CG 3.85Å; F119-M158 HydrophobicContact CE2-CE 4.16Å; F119-M158 HydrophobicContact CZ-CB 4.08Å; F119-M158 HydrophobicContact CZ-CE 3.96Å; F119-M158 HydrophobicContact CZ-CG 4.07Å; F119-V170 HydrophobicContact CE1-CG1 4.39Å; F119-V170 HydrophobicContact CE1-CG2 4.47Å; F119-V170 HydrophobicContact CZ-CG2 4.21Å
120	S	93.1	Very high	90.6	Very high	55 Å²	55	40.7 Å²	40.7	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-55	-29.5	176.9	67.8	0	0	0	0	113.2	Y116 D117 F122 G123	Y116-S120 WeakPolarHBondContact O-CB 3.33Å; Y116-S120 PolarHBondContact O-N 3.39Å; D117-S120 PolarHBondContact O-OG 2.89Å; S120-F122 PolarHBondContact O-N 3.02Å; S120-F122 VanDerWaalsContact O-N 3.1Å; S120-G123 PolarHBondContact O-N 3.48Å
121	A	92.3	Very high	90.6	Very high	84 Å²	84	41.3 Å²	41.3	69%	0.694	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.7	178.5	0	0	0	0	0	115.2	F119	F119-A121 PolarHBondContact O-N 2.94Å; F119-A121 VanDerWaalsContact O-N 3.12Å
122	F	92.1	Very high	90.4	Very high	33 Å²	33	41.2 Å²	41.2	15%	0.145	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-16.6	179.9	-56.2	-73.4	0	0	0	113.7	F119 S120 F145 A150 R153 A154 K157 M158	F119-F122 HydrophobicContact CD1-CD2 4.18Å; F119-F122 HydrophobicContact CD1-CE2 4.41Å; F119-F122 WeakPolarHBondContact O-CD2 3.26Å; F119-F122 PolarHBondContact O-N 2.88Å; F119-F122 VanDerWaalsContact O-N 3.13Å; S120-F122 PolarHBondContact O-N 3.02Å; S120-F122 VanDerWaalsContact O-N 3.1Å; F122-F145 HydrophobicContact CB-CE1 4.15Å; F122-F145 HydrophobicContact CB-CZ 4.07Å; F122-A150 WeakPolarHBondContact O-CB 3.26Å; F122-R153 PolarHBondContact O-NH2 3.06Å; F122-R153 VanDerWaalsContact O-NH2 3.12Å; F122-A154 HydrophobicContact CB-CB 3.91Å; F122-A154 HydrophobicContact CD1-CB 4.49Å; F122-A154 HydrophobicContact CD2-CB 3.94Å; F122-A154 HydrophobicContact CG-CB 3.84Å; F122-K157 HydrophobicContact CD1-CD 4.33Å; F122-K157 HydrophobicContact CE1-CB 3.89Å; F122-K157 HydrophobicContact CE1-CD 3.85Å; F122-K157 HydrophobicContact CE1-CG 4.47Å; F122-K157 HydrophobicContact CZ-CB 4.46Å; F122-M158 HydrophobicContact CD2-CG 4.45Å; F122-M158 HydrophobicContact CE1-CG 4.38Å; F122-M158 HydrophobicContact CE2-CE 4.44Å; F122-M158 HydrophobicContact CE2-CG 3.53Å; F122-M158 HydrophobicContact CE2-SD 3.74Å; F122-M158 HydrophobicContact CZ-CG 3.5Å; F122-M158 VanDerWaalsContact CZ-CG 3.5Å; F122-M158 HydrophobicContact CZ-SD 3.47Å; F122-M158 WeakPolarHBondContact CZ-SD 3.32Å
123	G	90	Very high	90.1	Very high	22 Å²	22	45 Å²	45	23%	0.227	26%	0.261	C	S	.	.	S	Bend	trans	154.9	175.5	179.1	0	0	0	0	0	112.7	S120 I125 F145	S120-G123 PolarHBondContact O-N 3.48Å; G123-I125 PolarHBondContact O-N 2.85Å; G123-F145 WeakPolarHBondContact O-CE1 3.49Å
124	N	89.3	Confident	89.6	Confident	82 Å²	82	49.3 Å²	49.3	44%	0.439	28%	0.283	S	S	.	.			trans	-62.2	131.1	-179	-172.7	20	0	0	0	112.2	F145 E146	N124-F145 WeakPolarHBondContact O-CA 3.45Å; N124-E146 HydrophobicContact CB-CB 4.2Å; N124-E146 WeakPolarHBondContact CB-OE2 3.39Å; N124-E146 PolarHBondContact ND2-OE2 2.64Å; N124-E146 PolarHBondContact O-N 2.65Å
125	I	91.3	Very high	88.9	Confident	11 Å²	11	54.9 Å²	54.9	6%	0.056	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.2	-179.3	-66.9	174.5	0	0	0	109.2	Y116 F119 G123 S127 C128 V143 H144 F145	Y116-I125 HydrophobicContact CD2-CB 4Å; Y116-I125 HydrophobicContact CD2-CD1 4.15Å; Y116-I125 HydrophobicContact CD2-CG2 3.83Å; Y116-I125 HydrophobicContact CE2-CB 3.72Å; Y116-I125 HydrophobicContact CE2-CD1 4.5Å; Y116-I125 HydrophobicContact CE2-CG2 3.92Å; F119-I125 HydrophobicContact CB-CD1 3.75Å; G123-I125 PolarHBondContact O-N 2.85Å; I125-S127 VanDerWaalsContact C-N 3.33Å; I125-S127 VanDerWaalsContact CG2-C 3.45Å; I125-S127 WeakPolarHBondContact CG2-O 3.23Å; I125-C128 HydrophobicContact CG2-CB 4.24Å; I125-V143 HydrophobicContact CB-CG1 4.45Å; I125-V143 HydrophobicContact CD1-CG1 3.73Å; I125-V143 HydrophobicContact CG1-CG1 3.76Å; I125-V143 HydrophobicContact CG2-CG1 3.89Å; I125-H144 CarbonylContact C-O 3.55Å; I125-F145 HydrophobicContact CD1-CE1 4.21Å; I125-F145 HydrophobicContact CG1-CD1 3.86Å; I125-F145 HydrophobicContact CG1-CE1 3.64Å; I125-F145 HydrophobicContact CG1-CZ 4.35Å
126	L	88.2	Confident	88.4	Confident	51 Å²	51	56.5 Å²	56.5	27%	0.267	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-27.4	172.8	-61	-178.1	0	0	0	112.4	M85 H144 E146	M85-L126 WeakPolarHBondContact CG-O 3.34Å; L126-H144 PolarHBondContact N-O 3.38Å; L126-E146 HydrophobicContact CD1-CB 4.26Å; L126-E146 HydrophobicContact CD2-CB 4.11Å; L126-E146 HydrophobicContact CD2-CG 4.35Å; L126-E146 HydrophobicContact CG-CB 3.98Å
127	S	87.9	Confident	88.2	Confident	10 Å²	10	53.9 Å²	53.9	7%	0.07	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	145.2	177.2	-147.7	0	0	0	0	111.8	R83 M85 I125 V143 H144	R83-S127 WeakPolarHBondContact CD-OG 3.26Å; R83-S127 PolarHBondContact NH1-OG 2.72Å; M85-S127 PolarHBondContact SD-OG 2.8Å; I125-S127 VanDerWaalsContact C-N 3.33Å; I125-S127 VanDerWaalsContact CG2-C 3.45Å; I125-S127 WeakPolarHBondContact CG2-O 3.23Å; S127-V143 CarbonylContact O-C 3.57Å; S127-V143 WeakPolarHBondContact O-CA 3.5Å; S127-H144 PolarHBondContact N-O 3.24Å; S127-H144 PolarHBondContact O-N 2.99Å
128	C	91.1	Very high	88	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.5	159.6	69.2	0	0	0	0	111.7	F74 R83 N112 L115 I125 F142 V143	F74-C128 WeakPolarHBondContact CZ-SG 3.38Å; R83-C128 WeakPolarHBondContact CD-O 3.36Å; N112-C128 PolarHBondContact O-SG 2.95Å; N112-C128 VanDerWaalsContact O-SG 3.41Å; L115-C128 HydrophobicContact CD2-CB 4.3Å; I125-C128 HydrophobicContact CG2-CB 4.24Å; C128-F142 CarbonylContact C-O 3.39Å; C128-F142 VanDerWaalsContact CA-O 3.26Å; C128-F142 WeakPolarHBondContact CA-O 3.27Å; C128-V143 HydrophobicContact CB-CB 4.37Å; C128-V143 HydrophobicContact CB-CG1 4.43Å; C128-V143 HydrophobicContact CB-CG2 3.83Å
129	K	90.1	Very high	87.9	Confident	64 Å²	64	52.4 Å²	52.4	28%	0.278	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	120.3	-179.9	-175.3	173.7	-175.4	174.4	0	112.3	D17 N112 G141 F142	D17-K129 IonicContact OD1-NZ 2.89Å; D17-K129 PolarHBondContact OD1-NZ 2.96Å; D17-K129 WeakPolarHBondContact OD2-CD 3.19Å; D17-K129 WeakPolarHBondContact OD2-CE 3.37Å; D17-K129 IonicContact OD2-NZ 2.68Å; D17-K129 PolarHBondContact OD2-NZ 3.42Å; N112-K129 WeakPolarHBondContact OD1-CA 2.87Å; K129-G141 CarbonylContact O-C 3.58Å; K129-G141 WeakPolarHBondContact O-CA 3.41Å; K129-F142 PolarHBondContact N-O 3.35Å; K129-F142 PolarHBondContact O-N 2.82Å
130	V	91.4	Very high	88	Confident	6 Å²	6	56 Å²	56	4%	0.036	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.1	159.5	178.9	0	0	0	0	108.4	L106 D111 N112 L115 S137	L106-V130 HydrophobicContact CD2-CG1 4.37Å; L106-V130 HydrophobicContact CD2-CG2 3.79Å; D111-V130 WeakPolarHBondContact O-CG2 3.41Å; N112-V130 PolarHBondContact OD1-N 3.32Å; L115-V130 HydrophobicContact CB-CG2 4.28Å; L115-V130 HydrophobicContact CD2-CG2 3.86Å; V130-S137 WeakPolarHBondContact CG1-OG 3.45Å
131	V	89	Confident	87.9	Confident	25 Å²	25	53.4 Å²	53.4	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.9	175.9	-177.8	0	0	0	0	110	K138 Y140 F142	V131-K138 HydrophobicContact CG1-CD 3.98Å; V131-K138 HydrophobicContact CG1-CG 4.39Å; V131-K138 WeakPolarHBondContact O-CB 3.37Å; V131-K138 WeakPolarHBondContact O-CG 3.44Å; V131-K138 PolarHBondContact O-N 3.21Å; V131-Y140 HydrophobicContact CB-CD2 4.16Å; V131-Y140 HydrophobicContact CB-CE1 4.45Å; V131-Y140 HydrophobicContact CB-CE2 3.66Å; V131-Y140 HydrophobicContact CG1-CE2 4.17Å; V131-Y140 HydrophobicContact CG2-CD2 4Å; V131-Y140 HydrophobicContact CG2-CE2 3.47Å; V131-Y140 VanDerWaalsContact CG2-CE2 3.47Å; V131-Y140 PolarHBondContact N-O 3.24Å; V131-F142 HydrophobicContact CG2-CD2 4.2Å; V131-F142 HydrophobicContact CG2-CE2 3.7Å
132	C	85.4	Confident	88	Confident	72 Å²	72	51.7 Å²	51.7	49%	0.486	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	156.3	174	-61.2	0	0	0	0	112	G136 K138	C132-G136 CarbonylContact C-O 3.58Å; C132-G136 WeakPolarHBondContact CA-O 3.41Å; C132-K138 WeakPolarHBondContact O-CE 3.38Å
133	D	84	Confident	88	Confident	92 Å²	92	50.1 Å²	50.1	49%	0.492	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-178.5	161.2	-117.4	-10.4	0	0	0	109.9	N135 G136 K138	D133-N135 PolarHBondContact O-N 2.89Å; D133-N135 VanDerWaalsContact O-N 3.13Å; D133-G136 PolarHBondContact N-O 3.45Å; D133-G136 PolarHBondContact O-N 3.28Å; D133-K138 HydrophobicContact CB-CG 4.35Å; D133-K138 VanDerWaalsContact OD1-CE 3.28Å; D133-K138 WeakPolarHBondContact OD1-CE 3.35Å; D133-K138 IonicContact OD1-NZ 3.07Å; D133-K138 PolarHBondContact OD1-NZ 3.22Å; D133-K138 WeakPolarHBondContact OD2-CE 3.34Å; D133-K138 IonicContact OD2-NZ 2.79Å; D133-K138 PolarHBondContact OD2-NZ 2.92Å
134	E	79.7	Confident	88	Confident	197 Å²	197	50.6 Å²	50.6	92%	0.921	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.9	166.1	-59.8	-179.9	165.2	0	0	112.7
135	N	74.9	Confident	88.2	Confident	150 Å²	150	46.7 Å²	46.7	80%	0.802	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	18.3	174.3	-56.4	106.1	0	0	0	114.4	D133	D133-N135 PolarHBondContact O-N 2.89Å; D133-N135 VanDerWaalsContact O-N 3.13Å
136	G	80.8	Confident	88	Confident	34 Å²	34	50.6 Å²	50.6	35%	0.351	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	87.1	-161.8	179.4	0	0	0	0	0	114.5	C132 D133 K138	C132-G136 CarbonylContact C-O 3.58Å; C132-G136 WeakPolarHBondContact CA-O 3.41Å; D133-G136 PolarHBondContact N-O 3.45Å; D133-G136 PolarHBondContact O-N 3.28Å; G136-K138 PolarHBondContact O-N 2.88Å
137	S	87.1	Confident	88.1	Confident	12 Å²	12	51.1 Å²	51.1	8%	0.084	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	132.6	-172.6	173.8	0	0	0	0	113.5	K108 V130 G139	K108-S137 WeakPolarHBondContact CE-O 3.19Å; V130-S137 WeakPolarHBondContact CG1-OG 3.45Å; S137-G139 PolarHBondContact O-N 3.44Å; S137-G139 PolarHBondContact OG-N 2.8Å; S137-G139 VanDerWaalsContact OG-N 3.16Å
138	K	88.3	Confident	88.2	Confident	87 Å²	87	54.5 Å²	54.5	38%	0.378	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	4.4	174	-55.5	-166	-164.4	-142.4	0	113	V131 C132 D133 G136 Y140	V131-K138 HydrophobicContact CG1-CD 3.98Å; V131-K138 HydrophobicContact CG1-CG 4.39Å; V131-K138 WeakPolarHBondContact O-CB 3.37Å; V131-K138 WeakPolarHBondContact O-CG 3.44Å; V131-K138 PolarHBondContact O-N 3.21Å; C132-K138 WeakPolarHBondContact O-CE 3.38Å; D133-K138 HydrophobicContact CB-CG 4.35Å; D133-K138 VanDerWaalsContact OD1-CE 3.28Å; D133-K138 WeakPolarHBondContact OD1-CE 3.35Å; D133-K138 IonicContact OD1-NZ 3.07Å; D133-K138 PolarHBondContact OD1-NZ 3.22Å; D133-K138 WeakPolarHBondContact OD2-CE 3.34Å; D133-K138 IonicContact OD2-NZ 2.79Å; D133-K138 PolarHBondContact OD2-NZ 2.92Å; G136-K138 PolarHBondContact O-N 2.88Å; K138-Y140 HydrophobicContact CB-CD1 3.78Å; K138-Y140 HydrophobicContact CB-CE1 3.56Å; K138-Y140 HydrophobicContact CD-CE1 4.1Å; K138-Y140 HydrophobicContact CG-CE1 4.42Å
139	G	88.8	Confident	88.2	Confident	11 Å²	11	60.5 Å²	60.5	11%	0.113	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.3	27	179.5	0	0	0	0	0	114	N105 L106 S137	N105-G139 WeakPolarHBondContact CA-O 3.37Å; N105-G139 PolarHBondContact N-O 3.48Å; L106-G139 PolarHBondContact N-O 3.46Å; L106-G139 VanDerWaalsContact O-CA 3.3Å; L106-G139 WeakPolarHBondContact O-CA 3.3Å; S137-G139 PolarHBondContact O-N 3.44Å; S137-G139 PolarHBondContact OG-N 2.8Å; S137-G139 VanDerWaalsContact OG-N 3.16Å
140	Y	92.4	Very high	88.4	Confident	75 Å²	75	57.4 Å²	57.4	29%	0.294	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	157.2	171.8	72.3	-95.1	0	0	0	111.9	F102 I103 V131 K138 F142	F102-Y140 AromaticContact CE2-CD2 3.81Å; F102-Y140 HydrophobicContact CE2-CD2 3.81Å; F102-Y140 HydrophobicContact CE2-CG 4.18Å; I103-Y140 CarbonylContact O-C 3.56Å; I103-Y140 WeakPolarHBondContact O-CA 3.47Å; I103-Y140 VanDerWaalsContact O-CB 3.27Å; I103-Y140 WeakPolarHBondContact O-CB 3.38Å; V131-Y140 HydrophobicContact CB-CD2 4.16Å; V131-Y140 HydrophobicContact CB-CE1 4.45Å; V131-Y140 HydrophobicContact CB-CE2 3.66Å; V131-Y140 HydrophobicContact CG1-CE2 4.17Å; V131-Y140 HydrophobicContact CG2-CD2 4Å; V131-Y140 HydrophobicContact CG2-CE2 3.47Å; V131-Y140 VanDerWaalsContact CG2-CE2 3.47Å; V131-Y140 PolarHBondContact N-O 3.24Å; K138-Y140 HydrophobicContact CB-CD1 3.78Å; K138-Y140 HydrophobicContact CB-CE1 3.56Å; K138-Y140 HydrophobicContact CD-CE1 4.1Å; K138-Y140 HydrophobicContact CG-CE1 4.42Å; Y140-F142 HydrophobicContact CD2-CE2 4.33Å; Y140-F142 HydrophobicContact CD2-CZ 4.21Å; Y140-F142 HydrophobicContact CE2-CE2 4.06Å; Y140-F142 AromaticContact CE2-CZ 4Å; Y140-F142 HydrophobicContact CE2-CZ 4Å
141	G	92.4	Very high	88.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	-178.1	179.6	0	0	0	0	0	113.1	F102 I103 K129	F102-G141 WeakPolarHBondContact CD2-O 3.28Å; I103-G141 PolarHBondContact N-O 2.83Å; I103-G141 PolarHBondContact O-N 2.85Å; K129-G141 CarbonylContact O-C 3.58Å; K129-G141 WeakPolarHBondContact O-CA 3.41Å
142	F	93.1	Very high	88.7	Confident	49 Å²	49	58 Å²	58	22%	0.215	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.8	-179.5	-53	-74.9	0	0	0	109.3	I101 F102 C128 K129 V131 Y140 F173	I101-F142 WeakPolarHBondContact O-CA 3.26Å; F102-F142 HydrophobicContact CB-CD1 4.29Å; F102-F142 HydrophobicContact CB-CE1 4.39Å; F102-F142 AromaticContact CD2-CD1 3.81Å; F102-F142 HydrophobicContact CD2-CD1 3.81Å; F102-F142 AromaticContact CD2-CE1 3.38Å; F102-F142 HydrophobicContact CD2-CE1 3.38Å; F102-F142 HydrophobicContact CD2-CZ 4.19Å; F102-F142 HydrophobicContact CE2-CE1 4.03Å; F102-F142 HydrophobicContact CE2-CZ 4.42Å; F102-F142 HydrophobicContact CG-CE1 4.23Å; C128-F142 CarbonylContact C-O 3.39Å; C128-F142 VanDerWaalsContact CA-O 3.26Å; C128-F142 WeakPolarHBondContact CA-O 3.27Å; K129-F142 PolarHBondContact N-O 3.35Å; K129-F142 PolarHBondContact O-N 2.82Å; V131-F142 HydrophobicContact CG2-CD2 4.2Å; V131-F142 HydrophobicContact CG2-CE2 3.7Å; Y140-F142 HydrophobicContact CD2-CE2 4.33Å; Y140-F142 HydrophobicContact CD2-CZ 4.21Å; Y140-F142 HydrophobicContact CE2-CE2 4.06Å; Y140-F142 AromaticContact CE2-CZ 4Å; Y140-F142 HydrophobicContact CE2-CZ 4Å; F142-F173 AromaticContact CD1-CD2 3.56Å; F142-F173 HydrophobicContact CD1-CD2 3.56Å; F142-F173 AromaticContact CD1-CE2 3.74Å; F142-F173 HydrophobicContact CD1-CE2 3.74Å; F142-F173 AromaticContact CE1-CD2 3.62Å; F142-F173 HydrophobicContact CE1-CD2 3.62Å; F142-F173 AromaticContact CE1-CE2 3.5Å; F142-F173 HydrophobicContact CE1-CE2 3.5Å; F142-F173 HydrophobicContact CZ-CE2 4.25Å
143	V	92.9	Very high	89.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.2	170.8	179.3	0	0	0	0	107.4	I101 I103 L115 F119 I125 S127 C128 F145	I101-V143 HydrophobicContact CD1-CB 4.03Å; I101-V143 HydrophobicContact CG1-CB 3.7Å; I101-V143 WeakPolarHBondContact CG1-O 3.32Å; I101-V143 PolarHBondContact N-O 3.12Å; I101-V143 PolarHBondContact O-N 3.37Å; I101-V143 VanDerWaalsContact O-N 3.14Å; I103-V143 HydrophobicContact CD1-CG2 3.64Å; L115-V143 HydrophobicContact CD2-CG2 3.96Å; L115-V143 HydrophobicContact CG-CG2 4.05Å; F119-V143 HydrophobicContact CB-CG1 4.41Å; F119-V143 HydrophobicContact CB-CG2 4.4Å; F119-V143 HydrophobicContact CG-CG2 4.35Å; I125-V143 HydrophobicContact CB-CG1 4.45Å; I125-V143 HydrophobicContact CD1-CG1 3.73Å; I125-V143 HydrophobicContact CG1-CG1 3.76Å; I125-V143 HydrophobicContact CG2-CG1 3.89Å; S127-V143 CarbonylContact O-C 3.57Å; S127-V143 WeakPolarHBondContact O-CA 3.5Å; C128-V143 HydrophobicContact CB-CB 4.37Å; C128-V143 HydrophobicContact CB-CG1 4.43Å; C128-V143 HydrophobicContact CB-CG2 3.83Å; V143-F145 HydrophobicContact CG1-CD2 4.17Å; V143-F145 HydrophobicContact CG1-CE1 4.49Å; V143-F145 HydrophobicContact CG1-CE2 3.86Å; V143-F145 HydrophobicContact CG1-CZ 4.05Å
144	H	91	Very high	89.6	Confident	31 Å²	31	54.5 Å²	54.5	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	106.5	175.4	-173.7	-3.2	0	0	0	107.6	V98 N100 I125 L126 S127	V98-H144 PolarHBondContact O-CE1 2.72Å; N100-H144 WeakPolarHBondContact OD1-CB 3.24Å; I125-H144 CarbonylContact C-O 3.55Å; L126-H144 PolarHBondContact N-O 3.38Å; S127-H144 PolarHBondContact N-O 3.24Å; S127-H144 PolarHBondContact O-N 2.99Å
145	F	91.8	Very high	90.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	154	168.3	-69	-79.8	0	0	0	110.8	G99 I101 F119 F122 G123 N124 I125 V143 T147 A150 A151 A154	G99-F145 PolarHBondContact O-N 2.73Å; I101-F145 HydrophobicContact CD1-CE2 3.79Å; I101-F145 HydrophobicContact CG1-CE2 4.15Å; F119-F145 HydrophobicContact CB-CZ 4.09Å; F119-F145 HydrophobicContact CD1-CZ 4.21Å; F119-F145 WeakPolarHBondContact O-CE1 3.45Å; F122-F145 HydrophobicContact CB-CE1 4.15Å; F122-F145 HydrophobicContact CB-CZ 4.07Å; G123-F145 WeakPolarHBondContact O-CE1 3.49Å; N124-F145 WeakPolarHBondContact O-CA 3.45Å; I125-F145 HydrophobicContact CD1-CE1 4.21Å; I125-F145 HydrophobicContact CG1-CD1 3.86Å; I125-F145 HydrophobicContact CG1-CE1 3.64Å; I125-F145 HydrophobicContact CG1-CZ 4.35Å; V143-F145 HydrophobicContact CG1-CD2 4.17Å; V143-F145 HydrophobicContact CG1-CE1 4.49Å; V143-F145 HydrophobicContact CG1-CE2 3.86Å; V143-F145 HydrophobicContact CG1-CZ 4.05Å; F145-T147 VanDerWaalsContact C-N 3.32Å; F145-A150 HydrophobicContact CB-CB 3.84Å; F145-A150 HydrophobicContact CD1-CB 3.67Å; F145-A150 HydrophobicContact CE1-CB 4.36Å; F145-A150 HydrophobicContact CG-CB 3.78Å; F145-A151 HydrophobicContact CB-CB 4.49Å; F145-A151 HydrophobicContact CD2-CB 3.89Å; F145-A154 HydrophobicContact CE2-CB 3.67Å; F145-A154 HydrophobicContact CZ-CB 3.82Å
146	E	87.6	Confident	91.1	Very high	94 Å²	94	46.1 Å²	46.1	44%	0.439	23%	0.225	S	C	.	.	S	Bend	trans	-64.1	-36.5	172.8	-176.9	173.1	-156.2	0	0	112.4	N124 L126	N124-E146 HydrophobicContact CB-CB 4.2Å; N124-E146 WeakPolarHBondContact CB-OE2 3.39Å; N124-E146 PolarHBondContact ND2-OE2 2.64Å; N124-E146 PolarHBondContact O-N 2.65Å; L126-E146 HydrophobicContact CD1-CB 4.26Å; L126-E146 HydrophobicContact CD2-CB 4.11Å; L126-E146 HydrophobicContact CD2-CG 4.35Å; L126-E146 HydrophobicContact CG-CB 3.98Å
147	T	90	Very high	91.7	Very high	62 Å²	62	50.9 Å²	50.9	38%	0.38	24%	0.236	S	C	.	.	S	Bend	trans	-116	150.2	-178.3	67.7	0	0	0	0	112.5	F145 E149 A150	F145-T147 VanDerWaalsContact C-N 3.32Å; T147-E149 VanDerWaalsContact C-N 3.28Å; T147-E149 PolarHBondContact O-N 3.49Å; T147-A150 PolarHBondContact O-N 3.4Å; T147-A150 WeakPolarHBondContact OG1-CB 3.48Å; T147-A150 PolarHBondContact OG1-N 3.39Å
148	H	89.9	Confident	91.9	Very high	81 Å²	81	50.9 Å²	50.9	38%	0.375	24%	0.235	S	C	.	.	H	α-helix	trans	-60.4	-40.1	173.7	-171.5	8.1	0	0	0	111.6	V98 A150 A151 E152	V98-H148 HydrophobicContact CG1-CB 3.81Å; H148-A150 PolarHBondContact O-N 2.86Å; H148-A151 WeakPolarHBondContact O-CB 3.17Å; H148-A151 PolarHBondContact O-N 3.49Å; H148-E152 VanDerWaalsContact CE1-CD 3.49Å; H148-E152 VanDerWaalsContact CE1-CG 3.48Å; H148-E152 WeakPolarHBondContact CE1-CG 3.49Å; H148-E152 IonicContact CE1-OE1 2.64Å; H148-E152 PolarHBondContact CE1-OE1 3.2Å; H148-E152 VanDerWaalsContact CE1-OE1 3.23Å; H148-E152 IonicContact ND1-OE1 3.55Å; H148-E152 PolarHBondContact O-N 3.08Å
149	E	92.8	Very high	92	Very high	128 Å²	128	50.2 Å²	50.2	60%	0.598	24%	0.236	S	C	*	.	H	α-helix	trans	-63.7	-39	-177	-51.8	176.3	178.6	0	0	112.8	T147 A151 E152 R153	T147-E149 VanDerWaalsContact C-N 3.28Å; T147-E149 PolarHBondContact O-N 3.49Å; E149-A151 VanDerWaalsContact C-N 3.28Å; E149-A151 PolarHBondContact O-N 3.37Å; E149-E152 PolarHBondContact O-N 3.23Å; E149-R153 VanDerWaalsContact CB-NH1 3.27Å; E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 VanDerWaalsContact O-CG 3.28Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 2.88Å; E149-R153 IonicContact OE2-NH1 3.92Å; E149-R153 PolarHBondContact OE2-NH1 2.97Å
150	A	93.6	Very high	92	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-38.7	176.5	0	0	0	0	0	111.3	F122 F145 T147 H148 A154	F122-A150 WeakPolarHBondContact O-CB 3.26Å; F145-A150 HydrophobicContact CB-CB 3.84Å; F145-A150 HydrophobicContact CD1-CB 3.67Å; F145-A150 HydrophobicContact CE1-CB 4.36Å; F145-A150 HydrophobicContact CG-CB 3.78Å; T147-A150 PolarHBondContact O-N 3.4Å; T147-A150 WeakPolarHBondContact OG1-CB 3.48Å; T147-A150 PolarHBondContact OG1-N 3.39Å; H148-A150 PolarHBondContact O-N 2.86Å; A150-A154 VanDerWaalsContact O-CB 3.28Å; A150-A154 WeakPolarHBondContact O-CB 3.46Å; A150-A154 PolarHBondContact O-N 2.68Å
151	A	93.2	Very high	91.8	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-45	172.9	0	0	0	0	0	112.7	I101 F145 H148 E149 A154 I155	I101-A151 HydrophobicContact CG2-CB 3.54Å; F145-A151 HydrophobicContact CB-CB 4.49Å; F145-A151 HydrophobicContact CD2-CB 3.89Å; H148-A151 WeakPolarHBondContact O-CB 3.17Å; H148-A151 PolarHBondContact O-N 3.49Å; E149-A151 VanDerWaalsContact C-N 3.28Å; E149-A151 PolarHBondContact O-N 3.37Å; A151-A154 PolarHBondContact O-N 2.98Å; A151-I155 WeakPolarHBondContact O-CD1 3.17Å; A151-I155 VanDerWaalsContact O-CG1 3.26Å; A151-I155 WeakPolarHBondContact O-CG1 3.24Å; A151-I155 PolarHBondContact O-N 2.94Å
152	E	93.5	Very high	91.6	Very high	42 Å²	42	58 Å²	58	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-45.1	177.9	-62.2	-58.1	109.9	0	0	111.7	H148 E149 A154 I155 E156 R172	H148-E152 VanDerWaalsContact CE1-CD 3.49Å; H148-E152 VanDerWaalsContact CE1-CG 3.48Å; H148-E152 WeakPolarHBondContact CE1-CG 3.49Å; H148-E152 IonicContact CE1-OE1 2.64Å; H148-E152 PolarHBondContact CE1-OE1 3.2Å; H148-E152 VanDerWaalsContact CE1-OE1 3.23Å; H148-E152 IonicContact ND1-OE1 3.55Å; H148-E152 PolarHBondContact O-N 3.08Å; E149-E152 PolarHBondContact O-N 3.23Å; E152-A154 PolarHBondContact O-N 3.31Å; E152-I155 WeakPolarHBondContact O-CB 3.48Å; E152-I155 PolarHBondContact O-N 2.96Å; E152-I155 WeakPolarHBondContact OE1-CD1 3.38Å; E152-E156 WeakPolarHBondContact O-CG 3.38Å; E152-E156 PolarHBondContact O-N 2.91Å; E152-R172 VanDerWaalsContact CD-NE 3.3Å; E152-R172 WeakPolarHBondContact OE1-CG 3.45Å; E152-R172 IonicContact OE1-CZ 3.19Å; E152-R172 IonicContact OE1-NE 3.74Å; E152-R172 PolarHBondContact OE1-NE 3.4Å; E152-R172 IonicContact OE1-NH2 3.03Å; E152-R172 IonicContact OE2-CZ 3.68Å; E152-R172 VanDerWaalsContact OE2-CZ 3.28Å; E152-R172 IonicContact OE2-NE 2.65Å; E152-R172 PolarHBondContact OE2-NE 2.92Å; E152-R172 VanDerWaalsContact OE2-NE 3.07Å; E152-R172 IonicContact OE2-NH2 3.85Å; E152-R172 PolarHBondContact OE2-NH2 2.78Å
153	R	94.1	Very high	91.3	Very high	90 Å²	90	56.7 Å²	56.7	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-35.6	174.5	-70	-175.5	-56.7	-108.9	4.5	112.4	F122 E149 K157	F122-R153 PolarHBondContact O-NH2 3.06Å; F122-R153 VanDerWaalsContact O-NH2 3.12Å; E149-R153 VanDerWaalsContact CB-NH1 3.27Å; E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 VanDerWaalsContact O-CG 3.28Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 2.88Å; E149-R153 IonicContact OE2-NH1 3.92Å; E149-R153 PolarHBondContact OE2-NH1 2.97Å; R153-K157 WeakPolarHBondContact O-CB 3.41Å; R153-K157 WeakPolarHBondContact O-CG 3.46Å; R153-K157 PolarHBondContact O-N 3.37Å
154	A	93.9	Very high	90.9	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.7	-39.5	174	0	0	0	0	0	112.2	I101 F119 F122 F145 A150 A151 E152 M158	I101-A154 HydrophobicContact CD1-CB 4.25Å; F119-A154 HydrophobicContact CD1-CB 4.13Å; F119-A154 HydrophobicContact CE1-CB 4.32Å; F122-A154 HydrophobicContact CB-CB 3.91Å; F122-A154 HydrophobicContact CD1-CB 4.49Å; F122-A154 HydrophobicContact CD2-CB 3.94Å; F122-A154 HydrophobicContact CG-CB 3.84Å; F145-A154 HydrophobicContact CE2-CB 3.67Å; F145-A154 HydrophobicContact CZ-CB 3.82Å; A150-A154 VanDerWaalsContact O-CB 3.28Å; A150-A154 WeakPolarHBondContact O-CB 3.46Å; A150-A154 PolarHBondContact O-N 2.68Å; A151-A154 PolarHBondContact O-N 2.98Å; E152-A154 PolarHBondContact O-N 3.31Å; A154-M158 WeakPolarHBondContact O-CB 3.44Å; A154-M158 WeakPolarHBondContact O-CG 3.45Å; A154-M158 PolarHBondContact O-N 3.24Å
155	I	93.8	Very high	90.5	Very high	25 Å²	25	67 Å²	67	13%	0.128	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-54.3	174.4	-70.2	160.6	0	0	0	110.3	I101 A151 E152 K157 N159 V170 R172	I101-I155 HydrophobicContact CG2-CD1 3.83Å; I101-I155 HydrophobicContact CG2-CG1 3.89Å; A151-I155 WeakPolarHBondContact O-CD1 3.17Å; A151-I155 VanDerWaalsContact O-CG1 3.26Å; A151-I155 WeakPolarHBondContact O-CG1 3.24Å; A151-I155 PolarHBondContact O-N 2.94Å; E152-I155 WeakPolarHBondContact O-CB 3.48Å; E152-I155 PolarHBondContact O-N 2.96Å; E152-I155 WeakPolarHBondContact OE1-CD1 3.38Å; I155-K157 VanDerWaalsContact C-N 3.31Å; I155-K157 PolarHBondContact O-N 3.38Å; I155-N159 WeakPolarHBondContact O-CB 3.36Å; I155-N159 PolarHBondContact O-N 3.25Å; I155-V170 HydrophobicContact CG1-CG1 3.98Å; I155-R172 HydrophobicContact CD1-CB 4.48Å; I155-R172 HydrophobicContact CD1-CG 3.69Å
156	E	93	Very high	90.3	Very high	146 Å²	146	70.9 Å²	70.9	68%	0.682	35%	0.354	S	S	*	.	H	α-helix	trans	-57.5	-42	-177	-71.7	175.3	165.1	0	0	112.7	E152	E152-E156 WeakPolarHBondContact O-CG 3.38Å; E152-E156 PolarHBondContact O-N 2.91Å
157	K	91.8	Very high	90.4	Very high	134 Å²	134	73 Å²	73	58%	0.583	36%	0.361	S	S	*	.	H	α-helix	trans	-86.5	-38.1	-175.2	-67.1	-178.9	176.5	-175.3	0	113.6	F122 R153 I155 M161	F122-K157 HydrophobicContact CD1-CD 4.33Å; F122-K157 HydrophobicContact CE1-CB 3.89Å; F122-K157 HydrophobicContact CE1-CD 3.85Å; F122-K157 HydrophobicContact CE1-CG 4.47Å; F122-K157 HydrophobicContact CZ-CB 4.46Å; R153-K157 WeakPolarHBondContact O-CB 3.41Å; R153-K157 WeakPolarHBondContact O-CG 3.46Å; R153-K157 PolarHBondContact O-N 3.37Å; I155-K157 VanDerWaalsContact C-N 3.31Å; I155-K157 PolarHBondContact O-N 3.38Å; K157-M161 VanDerWaalsContact O-CG 3.27Å; K157-M161 WeakPolarHBondContact O-CG 3.44Å
158	M	91.3	Very high	90.6	Very high	12 Å²	12	70.1 Å²	70.1	6%	0.059	34%	0.344	C	S	.	.	H	α-helix	trans	-95.2	-18.3	-172.4	-59.3	-66.9	-76.9	0	0	114	T118 F119 F122 A154 G160 M161 L163 V170	T118-M158 HydrophobicContact CG2-CE 3.72Å; F119-M158 HydrophobicContact CE1-CB 4.04Å; F119-M158 HydrophobicContact CE1-CG 3.85Å; F119-M158 HydrophobicContact CE2-CE 4.16Å; F119-M158 HydrophobicContact CZ-CB 4.08Å; F119-M158 HydrophobicContact CZ-CE 3.96Å; F119-M158 HydrophobicContact CZ-CG 4.07Å; F122-M158 HydrophobicContact CD2-CG 4.45Å; F122-M158 HydrophobicContact CE1-CG 4.38Å; F122-M158 HydrophobicContact CE2-CE 4.44Å; F122-M158 HydrophobicContact CE2-CG 3.53Å; F122-M158 HydrophobicContact CE2-SD 3.74Å; F122-M158 HydrophobicContact CZ-CG 3.5Å; F122-M158 VanDerWaalsContact CZ-CG 3.5Å; F122-M158 HydrophobicContact CZ-SD 3.47Å; F122-M158 WeakPolarHBondContact CZ-SD 3.32Å; A154-M158 WeakPolarHBondContact O-CB 3.44Å; A154-M158 WeakPolarHBondContact O-CG 3.45Å; A154-M158 PolarHBondContact O-N 3.24Å; M158-G160 PolarHBondContact O-N 3.03Å; M158-G160 VanDerWaalsContact O-N 3.12Å; M158-M161 PolarHBondContact O-N 3.46Å; M158-M161 VanDerWaalsContact O-N 3.11Å; M158-M161 HydrophobicContact SD-SD 3.95Å; M158-L163 HydrophobicContact CE-CD1 3.67Å; M158-V170 HydrophobicContact CB-CG2 3.86Å
159	N	91.6	Very high	90.7	Very high	73 Å²	73	71.3 Å²	71.3	39%	0.39	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	112.2	-178.9	-174	32.6	0	0	0	111.5	I155 F169 V170	I155-N159 WeakPolarHBondContact O-CB 3.36Å; I155-N159 PolarHBondContact O-N 3.25Å; N159-F169 WeakPolarHBondContact OD1-CA 3.42Å; N159-F169 VanDerWaalsContact OD1-CD2 3.28Å; N159-F169 WeakPolarHBondContact OD1-CD2 3.39Å; N159-V170 HydrophobicContact CB-CB 4.1Å; N159-V170 WeakPolarHBondContact CB-O 3.47Å; N159-V170 PolarHBondContact OD1-N 3.14Å; N159-V170 PolarHBondContact OD1-O 3.4Å
160	G	87.6	Confident	90.7	Very high	43 Å²	43	65.2 Å²	65.2	44%	0.443	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-7.7	-176.2	0	0	0	0	0	114.9	M158 V168	M158-G160 PolarHBondContact O-N 3.03Å; M158-G160 VanDerWaalsContact O-N 3.12Å; G160-V168 WeakPolarHBondContact CA-O 3.43Å; G160-V168 PolarHBondContact N-O 3.28Å
161	M	89.6	Confident	90.6	Very high	99 Å²	99	65.8 Å²	65.8	49%	0.488	33%	0.325	S	S	.	.			trans	-68.3	156.4	174.5	-74.1	-159.8	77.2	0	0	112.4	K157 M158 K167 V168	K157-M161 VanDerWaalsContact O-CG 3.27Å; K157-M161 WeakPolarHBondContact O-CG 3.44Å; M158-M161 PolarHBondContact O-N 3.46Å; M158-M161 VanDerWaalsContact O-N 3.11Å; M158-M161 HydrophobicContact SD-SD 3.95Å; M161-K167 CarbonylContact O-C 3.53Å; M161-K167 VanDerWaalsContact O-CA 3.29Å; M161-K167 WeakPolarHBondContact O-CA 3.39Å; M161-V168 WeakPolarHBondContact O-CG2 3.34Å; M161-V168 PolarHBondContact O-N 2.83Å
162	L	87.8	Confident	90.5	Very high	106 Å²	106	72.9 Å²	72.9	56%	0.555	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.6	177.4	-71.3	151.5	0	0	0	110.4	D165 R166 K167	L162-D165 WeakPolarHBondContact CD2-O 3.34Å; L162-R166 WeakPolarHBondContact CA-O 3.4Å; L162-K167 HydrophobicContact CD2-CG 3.66Å; L162-K167 HydrophobicContact CG-CG 4.06Å
163	L	85.9	Confident	90.2	Very high	22 Å²	22	74.7 Å²	74.7	12%	0.115	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.3	167	-104.2	62.8	0	0	0	107.7	L106 I110 T118 M158 D165 R166 V168	L106-L163 HydrophobicContact CD1-CD2 4.19Å; I110-L163 HydrophobicContact CD1-CB 4.08Å; I110-L163 HydrophobicContact CD1-CD2 4.17Å; I110-L163 HydrophobicContact CD1-CG 4.48Å; T118-L163 HydrophobicContact CG2-CD2 4.27Å; M158-L163 HydrophobicContact CE-CD1 3.67Å; L163-D165 VanDerWaalsContact C-N 3.34Å; L163-D165 PolarHBondContact O-N 3.28Å; L163-R166 PolarHBondContact N-O 3.31Å; L163-R166 PolarHBondContact O-N 2.95Å; L163-V168 HydrophobicContact CB-CG1 3.95Å; L163-V168 HydrophobicContact CD1-CG2 4.35Å; L163-V168 HydrophobicContact CD2-CG1 4.35Å
164	N	84.6	Confident	89.6	Confident	92 Å²	92	74 Å²	74	49%	0.492	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.9	57.8	-174.5	-61.5	2.2	0	0	0	111.5	D107 S109 R166	D107-N164 HydrophobicContact CB-CB 3.87Å; S109-N164 PolarHBondContact OG-ND2 2.87Å; S109-N164 VanDerWaalsContact OG-ND2 3.1Å; N164-R166 PolarHBondContact O-N 3.17Å
165	D	83.8	Confident	88.8	Confident	156 Å²	156	76.1 Å²	76.1	83%	0.834	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	5.7	-177.7	-56.8	-45.5	0	0	0	117	L162 L163	L162-D165 WeakPolarHBondContact CD2-O 3.34Å; L163-D165 VanDerWaalsContact C-N 3.34Å; L163-D165 PolarHBondContact O-N 3.28Å
166	R	87	Confident	88	Confident	82 Å²	82	83.8 Å²	83.8	31%	0.309	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.2	173.7	-56.7	-164.6	-158.8	-169.5	9.3	112	N105 D107 L162 L163 N164 V168	N105-R166 WeakPolarHBondContact O-CB 3.44Å; D107-R166 HydrophobicContact CB-CG 4.43Å; D107-R166 VanDerWaalsContact CG-NH2 3.31Å; D107-R166 IonicContact OD1-NH2 3.5Å; D107-R166 IonicContact OD2-CZ 3.51Å; D107-R166 IonicContact OD2-NE 3.58Å; D107-R166 PolarHBondContact OD2-NE 3.39Å; D107-R166 IonicContact OD2-NH2 2.84Å; D107-R166 PolarHBondContact OD2-NH2 2.86Å; L162-R166 WeakPolarHBondContact CA-O 3.4Å; L163-R166 PolarHBondContact N-O 3.31Å; L163-R166 PolarHBondContact O-N 2.95Å; N164-R166 PolarHBondContact O-N 3.17Å; R166-V168 PolarHBondContact O-N 3.15Å; R166-V168 VanDerWaalsContact O-N 3.08Å
167	K	90.6	Very high	87.2	Confident	139 Å²	139	85.2 Å²	85.2	60%	0.604	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	105.7	168.3	-66.8	-171.9	177.2	-174.6	0	109.3	N105 M161 L162	N105-K167 PolarHBondContact ND2-O 3.49Å; M161-K167 CarbonylContact O-C 3.53Å; M161-K167 VanDerWaalsContact O-CA 3.29Å; M161-K167 WeakPolarHBondContact O-CA 3.39Å; L162-K167 HydrophobicContact CD2-CG 3.66Å; L162-K167 HydrophobicContact CG-CG 4.06Å
168	V	92.6	Very high	86.6	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.006	40%	0.396	C	S	.	.			trans	-78	140.7	175.6	-70.8	0	0	0	0	110.2	I103 L106 G160 M161 L163 R166 V170	I103-V168 HydrophobicContact CG2-CB 4.46Å; L106-V168 HydrophobicContact CD1-CG1 4.07Å; G160-V168 WeakPolarHBondContact CA-O 3.43Å; G160-V168 PolarHBondContact N-O 3.28Å; M161-V168 WeakPolarHBondContact O-CG2 3.34Å; M161-V168 PolarHBondContact O-N 2.83Å; L163-V168 HydrophobicContact CB-CG1 3.95Å; L163-V168 HydrophobicContact CD1-CG2 4.35Å; L163-V168 HydrophobicContact CD2-CG1 4.35Å; R166-V168 PolarHBondContact O-N 3.15Å; R166-V168 VanDerWaalsContact O-N 3.08Å; V168-V170 HydrophobicContact CG2-CG2 4.33Å
169	F	92.8	Very high	85.8	Confident	105 Å²	105	86.2 Å²	86.2	46%	0.461	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.6	169.5	173.6	-88.4	0	0	0	108.5	I103 K104 N159	I103-F169 CarbonylContact C-O 3.58Å; I103-F169 WeakPolarHBondContact CA-O 3.47Å; K104-F169 HydrophobicContact CB-CB 4.33Å; K104-F169 HydrophobicContact CB-CD1 4.31Å; K104-F169 PolarHBondContact N-O 3.23Å; K104-F169 PolarHBondContact O-N 2.88Å; N159-F169 WeakPolarHBondContact OD1-CA 3.42Å; N159-F169 VanDerWaalsContact OD1-CD2 3.28Å; N159-F169 WeakPolarHBondContact OD1-CD2 3.39Å
170	V	93.4	Very high	84.9	Confident	1 Å²	1	87.7 Å²	87.7	1%	0.006	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.3	-179.7	-171.4	0	0	0	0	108.6	I101 I103 F119 I155 M158 N159 V168	I101-V170 HydrophobicContact CB-CG1 4.45Å; I101-V170 HydrophobicContact CD1-CG1 3.73Å; I103-V170 HydrophobicContact CG1-CG1 4.21Å; I103-V170 HydrophobicContact CG1-CG2 4.27Å; I103-V170 HydrophobicContact CG2-CG2 4.4Å; F119-V170 HydrophobicContact CE1-CG1 4.39Å; F119-V170 HydrophobicContact CE1-CG2 4.47Å; F119-V170 HydrophobicContact CZ-CG2 4.21Å; I155-V170 HydrophobicContact CG1-CG1 3.98Å; M158-V170 HydrophobicContact CB-CG2 3.86Å; N159-V170 HydrophobicContact CB-CB 4.1Å; N159-V170 WeakPolarHBondContact CB-O 3.47Å; N159-V170 PolarHBondContact OD1-N 3.14Å; N159-V170 PolarHBondContact OD1-O 3.4Å; V168-V170 HydrophobicContact CG2-CG2 4.33Å
171	G	91.6	Very high	84.1	Confident	12 Å²	12	88.7 Å²	88.7	12%	0.124	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	170.4	-179.7	0	0	0	0	0	112.5	I101 F102	I101-G171 CarbonylContact C-O 3.59Å; I101-G171 WeakPolarHBondContact CA-O 3.23Å; F102-G171 PolarHBondContact N-O 2.89Å; F102-G171 PolarHBondContact O-N 2.84Å; F102-G171 VanDerWaalsContact O-N 3.07Å
172	R	90.4	Very high	83	Confident	150 Å²	150	88.2 Å²	88.2	57%	0.566	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	139.5	177.7	-63.1	-173.8	-179.5	-169.7	3.1	111.1	E152 I155 K174	E152-R172 VanDerWaalsContact CD-NE 3.3Å; E152-R172 WeakPolarHBondContact OE1-CG 3.45Å; E152-R172 IonicContact OE1-CZ 3.19Å; E152-R172 IonicContact OE1-NE 3.74Å; E152-R172 PolarHBondContact OE1-NE 3.4Å; E152-R172 IonicContact OE1-NH2 3.03Å; E152-R172 IonicContact OE2-CZ 3.68Å; E152-R172 VanDerWaalsContact OE2-CZ 3.28Å; E152-R172 IonicContact OE2-NE 2.65Å; E152-R172 PolarHBondContact OE2-NE 2.92Å; E152-R172 VanDerWaalsContact OE2-NE 3.07Å; E152-R172 IonicContact OE2-NH2 3.85Å; E152-R172 PolarHBondContact OE2-NH2 2.78Å; I155-R172 HydrophobicContact CD1-CB 4.48Å; I155-R172 HydrophobicContact CD1-CG 3.69Å; R172-K174 PolarHBondContact O-N 2.97Å; R172-K174 VanDerWaalsContact O-N 3.12Å
173	F	86.3	Confident	81.7	Confident	80 Å²	80	88.7 Å²	88.7	35%	0.351	42%	0.415	S	S	.	.			trans	-69.5	108	178.2	172.3	-99.1	0	0	0	111.4	N100 F142	N100-F173 HydrophobicContact CB-CB 3.56Å; N100-F173 HydrophobicContact CB-CD1 4.2Å; N100-F173 HydrophobicContact CB-CG 4.07Å; N100-F173 VanDerWaalsContact O-CB 3.3Å; N100-F173 WeakPolarHBondContact O-CB 3.35Å; N100-F173 PolarHBondContact O-N 2.68Å; F142-F173 AromaticContact CD1-CD2 3.56Å; F142-F173 HydrophobicContact CD1-CD2 3.56Å; F142-F173 AromaticContact CD1-CE2 3.74Å; F142-F173 HydrophobicContact CD1-CE2 3.74Å; F142-F173 AromaticContact CE1-CD2 3.62Å; F142-F173 HydrophobicContact CE1-CD2 3.62Å; F142-F173 AromaticContact CE1-CE2 3.5Å; F142-F173 HydrophobicContact CE1-CE2 3.5Å; F142-F173 HydrophobicContact CZ-CE2 4.25Å
174	K	81.9	Confident	80.5	Confident	75 Å²	75	89.1 Å²	89.1	33%	0.326	43%	0.426	S	S	.	.			trans	-85.8	132.1	166	-63.9	-160.3	169.3	-166.6	0	111.3	R172 E178 R179 E182	R172-K174 PolarHBondContact O-N 2.97Å; R172-K174 VanDerWaalsContact O-N 3.12Å; K174-E178 VanDerWaalsContact CA-OE2 3.29Å; K174-E178 WeakPolarHBondContact CA-OE2 3.45Å; K174-E178 HydrophobicContact CB-CG 4.47Å; K174-E178 HydrophobicContact CD-CG 4.5Å; K174-E178 VanDerWaalsContact CD-OE1 3.23Å; K174-E178 WeakPolarHBondContact CD-OE1 3.31Å; K174-E178 WeakPolarHBondContact CG-OE1 3.24Å; K174-R179 PolarHBondContact O-NH2 3.18Å; K174-E182 WeakPolarHBondContact CD-OE2 3.4Å; K174-E182 IonicContact NZ-OE1 2.68Å; K174-E182 PolarHBondContact NZ-OE1 2.97Å; K174-E182 IonicContact NZ-OE2 3.07Å; K174-E182 PolarHBondContact NZ-OE2 3.24Å
175	S	77.8	Confident	79.4	Confident	46 Å²	46	87.1 Å²	87.1	32%	0.322	42%	0.421	S	S	.	.			trans	-64	161.1	179.3	75.1	0	0	0	0	111.7	K177 E178 R179	S175-K177 PolarHBondContact O-N 3.35Å; S175-E178 PolarHBondContact N-OE2 3.44Å; S175-E178 PolarHBondContact O-N 3.04Å; S175-E178 WeakPolarHBondContact OG-CB 3.32Å; S175-E178 PolarHBondContact OG-N 3.4Å; S175-E178 PolarHBondContact OG-OE2 2.79Å; S175-R179 WeakPolarHBondContact O-CB 3.38Å; S175-R179 PolarHBondContact O-N 3.21Å
176	R	77.1	Confident	78.2	Confident	185 Å²	185	88.1 Å²	88.1	70%	0.698	41%	0.414	S	S	*	.	H	α-helix	trans	-59.5	-46.3	178.8	-178.9	177.7	173.5	175.8	0.3	111.9	R179 E180	R176-R179 PolarHBondContact O-N 2.86Å; R176-E180 HydrophobicContact CG-CG 4.39Å; R176-E180 IonicContact CZ-OE1 3.5Å; R176-E180 IonicContact NE-OE1 3.28Å; R176-E180 PolarHBondContact NE-OE1 3.19Å; R176-E180 IonicContact NE-OE2 3.7Å; R176-E180 IonicContact NH2-OE1 3.53Å; R176-E180 PolarHBondContact NH2-OE1 2.82Å; R176-E180 WeakPolarHBondContact O-CB 3.48Å; R176-E180 WeakPolarHBondContact O-CG 3.16Å; R176-E180 PolarHBondContact O-N 3.01Å
177	K	76.1	Confident	76.9	Confident	177 Å²	177	87 Å²	87	77%	0.77	42%	0.422	S	S	*	.	H	α-helix	trans	-63	-45.2	-178.7	-177.1	-177.8	177.7	-175	0	111.9	S175 E180 A181	S175-K177 PolarHBondContact O-N 3.35Å; K177-E180 PolarHBondContact O-N 2.86Å; K177-A181 WeakPolarHBondContact O-CB 3.47Å; K177-A181 PolarHBondContact O-N 3.49Å
178	E	78.8	Confident	75.5	Confident	83 Å²	83	89.2 Å²	89.2	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-47.4	175.1	178.4	-163.5	168.4	0	0	111.6	K174 S175 E180 A181 E182	K174-E178 VanDerWaalsContact CA-OE2 3.29Å; K174-E178 WeakPolarHBondContact CA-OE2 3.45Å; K174-E178 HydrophobicContact CB-CG 4.47Å; K174-E178 HydrophobicContact CD-CG 4.5Å; K174-E178 VanDerWaalsContact CD-OE1 3.23Å; K174-E178 WeakPolarHBondContact CD-OE1 3.31Å; K174-E178 WeakPolarHBondContact CG-OE1 3.24Å; S175-E178 PolarHBondContact N-OE2 3.44Å; S175-E178 PolarHBondContact O-N 3.04Å; S175-E178 WeakPolarHBondContact OG-CB 3.32Å; S175-E178 PolarHBondContact OG-N 3.4Å; S175-E178 PolarHBondContact OG-OE2 2.79Å; E178-E180 PolarHBondContact O-N 3.42Å; E178-A181 CarbonylContact O-C 3.52Å; E178-A181 WeakPolarHBondContact O-CB 3.09Å; E178-A181 PolarHBondContact O-N 3.38Å; E178-A181 VanDerWaalsContact O-N 3.14Å; E178-E182 WeakPolarHBondContact O-CB 3.34Å; E178-E182 PolarHBondContact O-N 3.23Å
179	R	75.4	Confident	74.5	Confident	84 Å²	84	94 Å²	94	32%	0.317	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-37.5	179.1	-167.3	-171.2	-48.8	168.5	5.8	112.6	K174 S175 R176 L183	K174-R179 PolarHBondContact O-NH2 3.18Å; S175-R179 WeakPolarHBondContact O-CB 3.38Å; S175-R179 PolarHBondContact O-N 3.21Å; R176-R179 PolarHBondContact O-N 2.86Å; R179-L183 HydrophobicContact CG-CD1 4.21Å; R179-L183 WeakPolarHBondContact O-CB 3.43Å; R179-L183 PolarHBondContact O-N 2.79Å
180	E	72.3	Confident	73.8	Confident	104 Å²	104	90.3 Å²	90.3	49%	0.486	43%	0.433	S	S	.	.	H	α-helix	trans	-70.4	-31.2	173.4	-74.9	173.3	163.8	0	0	111.9	R176 K177 E178 G184	R176-E180 HydrophobicContact CG-CG 4.39Å; R176-E180 IonicContact CZ-OE1 3.5Å; R176-E180 IonicContact NE-OE1 3.28Å; R176-E180 PolarHBondContact NE-OE1 3.19Å; R176-E180 IonicContact NE-OE2 3.7Å; R176-E180 IonicContact NH2-OE1 3.53Å; R176-E180 PolarHBondContact NH2-OE1 2.82Å; R176-E180 WeakPolarHBondContact O-CB 3.48Å; R176-E180 WeakPolarHBondContact O-CG 3.16Å; R176-E180 PolarHBondContact O-N 3.01Å; K177-E180 PolarHBondContact O-N 2.86Å; E178-E180 PolarHBondContact O-N 3.42Å; E180-G184 WeakPolarHBondContact O-CA 3.47Å; E180-G184 PolarHBondContact O-N 3.18Å
181	A	70.6	Confident	73.5	Confident	64 Å²	64	92.7 Å²	92.7	53%	0.529	45%	0.447	S	S	.	.	H	α-helix	trans	-71.7	-42.5	171.2	0	0	0	0	0	112.4	K177 E178 G184 A185	K177-A181 WeakPolarHBondContact O-CB 3.47Å; K177-A181 PolarHBondContact O-N 3.49Å; E178-A181 CarbonylContact O-C 3.52Å; E178-A181 WeakPolarHBondContact O-CB 3.09Å; E178-A181 PolarHBondContact O-N 3.38Å; E178-A181 VanDerWaalsContact O-N 3.14Å; A181-G184 CarbonylContact O-C 3.51Å; A181-G184 WeakPolarHBondContact O-CA 3.46Å; A181-G184 PolarHBondContact O-N 3.31Å; A181-A185 WeakPolarHBondContact O-CB 3.29Å; A181-A185 PolarHBondContact O-N 3.28Å
182	E	66.8	Low	73.4	Confident	89 Å²	89	95.6 Å²	95.6	42%	0.416	46%	0.46	S	S	.	.	H	α-helix	trans	-65.9	-47.3	177.3	-179.2	176.6	-151	0	0	111.8	K174 E178 G184 A185 R186	K174-E182 WeakPolarHBondContact CD-OE2 3.4Å; K174-E182 IonicContact NZ-OE1 2.68Å; K174-E182 PolarHBondContact NZ-OE1 2.97Å; K174-E182 IonicContact NZ-OE2 3.07Å; K174-E182 PolarHBondContact NZ-OE2 3.24Å; E178-E182 WeakPolarHBondContact O-CB 3.34Å; E178-E182 PolarHBondContact O-N 3.23Å; E182-G184 VanDerWaalsContact C-N 3.27Å; E182-G184 PolarHBondContact O-N 3.41Å; E182-A185 PolarHBondContact O-N 3.14Å; E182-R186 VanDerWaalsContact O-CB 3.3Å; E182-R186 WeakPolarHBondContact O-CB 3.46Å; E182-R186 PolarHBondContact O-N 3.11Å
183	L	60.1	Low	73.5	Confident	115 Å²	115	88.5 Å²	88.5	60%	0.602	43%	0.433	S	S	*	.	H	α-helix	trans	-65.7	-30.4	170.3	-89.1	149.3	0	0	0	112.1	R179 A187	R179-L183 HydrophobicContact CG-CD1 4.21Å; R179-L183 WeakPolarHBondContact O-CB 3.43Å; R179-L183 PolarHBondContact O-N 2.79Å; L183-A187 WeakPolarHBondContact O-CB 3.35Å; L183-A187 PolarHBondContact O-N 2.74Å
184	G	60.5	Low	73.7	Confident	32 Å²	32	86.1 Å²	86.1	33%	0.33	42%	0.422	S	S	.	.	H	α-helix	trans	-66.8	-40.1	173.6	0	0	0	0	0	113	E180 A181 E182 R188	E180-G184 WeakPolarHBondContact O-CA 3.47Å; E180-G184 PolarHBondContact O-N 3.18Å; A181-G184 CarbonylContact O-C 3.51Å; A181-G184 WeakPolarHBondContact O-CA 3.46Å; A181-G184 PolarHBondContact O-N 3.31Å; E182-G184 VanDerWaalsContact C-N 3.27Å; E182-G184 PolarHBondContact O-N 3.41Å; G184-R188 WeakPolarHBondContact O-CG 3.05Å; G184-R188 PolarHBondContact O-N 3.01Å
185	A	61.1	Low	74.2	Confident	49 Å²	49	82.6 Å²	82.6	41%	0.405	41%	0.406	S	S	.	.	H	α-helix	trans	-69.3	-47.5	172.8	0	0	0	0	0	111	A181 E182 A187 R188 E189	A181-A185 WeakPolarHBondContact O-CB 3.29Å; A181-A185 PolarHBondContact O-N 3.28Å; E182-A185 PolarHBondContact O-N 3.14Å; A185-A187 PolarHBondContact O-N 2.76Å; A185-R188 CarbonylContact O-C 3.52Å; A185-R188 WeakPolarHBondContact O-CA 3.3Å; A185-R188 VanDerWaalsContact O-CB 3.29Å; A185-R188 WeakPolarHBondContact O-CB 3.31Å; A185-R188 PolarHBondContact O-N 2.95Å; A185-E189 PolarHBondContact O-N 2.81Å
186	R	59.3	Low	74.8	Confident	178 Å²	178	85.1 Å²	85.1	67%	0.672	41%	0.412	S	S	*	.	H	α-helix	trans	-70.3	-12.5	178.2	-161.6	164.3	-171.9	176.9	2.2	114.6	E182 E189	E182-R186 VanDerWaalsContact O-CB 3.3Å; E182-R186 WeakPolarHBondContact O-CB 3.46Å; E182-R186 PolarHBondContact O-N 3.11Å; R186-E189 WeakPolarHBondContact CA-OE1 3.45Å
187	A	58.6	Low	75.3	Confident	58 Å²	58	79.4 Å²	79.4	48%	0.479	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-1.6	166.8	0	0	0	0	0	113.3	L183 A185 R265	L183-A187 WeakPolarHBondContact O-CB 3.35Å; L183-A187 PolarHBondContact O-N 2.74Å; A185-A187 PolarHBondContact O-N 2.76Å; A187-R265 PolarHBondContact O-NH1 2.86Å
188	R	62.2	Low	75.8	Confident	186 Å²	186	71.1 Å²	71.1	70%	0.702	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-28.9	161	-68	166.6	-177.5	-165.1	-0.5	111	G184 A185 F190 H241	G184-R188 WeakPolarHBondContact O-CG 3.05Å; G184-R188 PolarHBondContact O-N 3.01Å; A185-R188 CarbonylContact O-C 3.52Å; A185-R188 WeakPolarHBondContact O-CA 3.3Å; A185-R188 VanDerWaalsContact O-CB 3.29Å; A185-R188 WeakPolarHBondContact O-CB 3.31Å; A185-R188 PolarHBondContact O-N 2.95Å; R188-F190 WeakPolarHBondContact O-CD1 3.5Å; R188-F190 PolarHBondContact O-N 3.18Å; R188-H241 PolarHBondContact O-CE1 2.82Å
189	E	70.6	Confident	75.9	Confident	102 Å²	102	67.2 Å²	67.2	48%	0.477	34%	0.341	S	S	.	.			trans	-57.3	104.9	165	-70.1	163.4	-130.8	0	0	110.1	A185 R186 H241	A185-E189 PolarHBondContact O-N 2.81Å; R186-E189 WeakPolarHBondContact CA-OE1 3.45Å; E189-H241 HydrophobicContact CB-CB 4.45Å
190	F	79.5	Confident	76.2	Confident	27 Å²	27	67.9 Å²	67.9	12%	0.118	35%	0.348	C	S	.	.			trans	-124.9	133.2	172.4	67.2	-95.3	0	0	0	110.6	R188 V193 H241 A244 Q245 V248 R265	R188-F190 WeakPolarHBondContact O-CD1 3.5Å; R188-F190 PolarHBondContact O-N 3.18Å; F190-V193 HydrophobicContact CE2-CG2 4.17Å; F190-H241 AromaticContact CD1-CE1 4Å; F190-H241 AromaticContact CE1-CE1 3.99Å; F190-H241 PolarHBondContact N-ND1 2.81Å; F190-H241 VanDerWaalsContact N-ND1 3.12Å; F190-H241 WeakPolarHBondContact O-CA 3.49Å; F190-H241 PolarHBondContact O-ND1 3.49Å; F190-A244 HydrophobicContact CD2-CB 4.04Å; F190-A244 HydrophobicContact CE2-CB 3.96Å; F190-A244 VanDerWaalsContact O-CB 3.27Å; F190-A244 WeakPolarHBondContact O-CB 3.29Å; F190-Q245 VanDerWaalsContact CE1-OE1 3.25Å; F190-Q245 VanDerWaalsContact CZ-OE1 3.27Å; F190-V248 HydrophobicContact CE2-CG2 3.78Å; F190-V248 HydrophobicContact CZ-CB 4.43Å; F190-V248 HydrophobicContact CZ-CG2 3.84Å; F190-R265 HydrophobicContact CB-CG 3.75Å; F190-R265 HydrophobicContact CD1-CB 3.95Å; F190-R265 HydrophobicContact CD1-CG 3.9Å; F190-R265 HydrophobicContact CD2-CB 4.21Å; F190-R265 HydrophobicContact CD2-CG 4.16Å; F190-R265 HydrophobicContact CE1-CB 4.21Å; F190-R265 HydrophobicContact CE2-CB 4.46Å; F190-R265 HydrophobicContact CG-CB 4Å; F190-R265 HydrophobicContact CG-CG 3.66Å; F190-R265 HydrophobicContact CZ-CB 4.47Å
191	T	86.1	Confident	76.5	Confident	50 Å²	50	67.4 Å²	67.4	31%	0.307	35%	0.349	S	S	.	.			trans	-94.5	-21.8	168.1	43.9	0	0	0	0	112.4	F238	T191-F238 WeakPolarHBondContact CB-O 3.48Å; T191-F238 WeakPolarHBondContact CG2-O 3.38Å; T191-F238 PolarHBondContact O-N 2.82Å
192	N	89.6	Confident	77	Confident	74 Å²	74	65.7 Å²	65.7	40%	0.396	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.2	-173.5	-62.8	-20.7	0	0	0	111.4	V236 S237 A266	N192-V236 CarbonylContact C-O 3.52Å; N192-V236 WeakPolarHBondContact CA-O 3.46Å; N192-S237 VanDerWaalsContact OD1-CB 3.26Å; N192-S237 WeakPolarHBondContact OD1-CB 3.43Å; N192-S237 PolarHBondContact OD1-OG 3.45Å; N192-A266 HydrophobicContact CB-CB 3.83Å; N192-A266 WeakPolarHBondContact O-CB 3.45Å; N192-A266 PolarHBondContact O-N 2.92Å
193	V	92.1	Very high	78	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.9	178.2	-177.4	0	0	0	0	109.5	F190 I195 F235 V236 F238 A244 V248 V263 G264	F190-V193 HydrophobicContact CE2-CG2 4.17Å; V193-I195 HydrophobicContact CG1-CG1 4.01Å; V193-F235 VanDerWaalsContact O-CA 3.31Å; V193-F235 WeakPolarHBondContact O-CA 3.42Å; V193-V236 PolarHBondContact N-O 3.06Å; V193-V236 PolarHBondContact O-N 3.29Å; V193-F238 HydrophobicContact CG2-CD2 3.96Å; V193-F238 HydrophobicContact CG2-CE2 3.87Å; V193-A244 HydrophobicContact CG2-CB 3.72Å; V193-V248 HydrophobicContact CG1-CG2 4.01Å; V193-V248 HydrophobicContact CG2-CG2 4.17Å; V193-V263 HydrophobicContact CG1-CG1 3.34Å; V193-G264 CarbonylContact C-O 3.42Å; V193-G264 WeakPolarHBondContact CA-O 3.32Å
194	Y	91.9	Very high	79.3	Confident	30 Å²	30	63.5 Å²	63.5	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133	170.5	167.8	-106.4	0	0	0	108.9	K196 F233 F235 Y262 V263 G264	Y194-K196 HydrophobicContact CE1-CB 3.85Å; Y194-K196 HydrophobicContact CE1-CG 4.38Å; Y194-K196 WeakPolarHBondContact OH-CG 3.13Å; Y194-F233 HydrophobicContact CD2-CD2 4.42Å; Y194-F233 HydrophobicContact CE2-CB 3.95Å; Y194-F233 AromaticContact CE2-CD2 3.58Å; Y194-F233 HydrophobicContact CE2-CD2 3.58Å; Y194-F233 HydrophobicContact CE2-CE2 4.32Å; Y194-F233 HydrophobicContact CE2-CG 4.03Å; Y194-F235 HydrophobicContact CD2-CD1 4.03Å; Y194-F235 AromaticContact CD2-CE1 3.51Å; Y194-F235 HydrophobicContact CD2-CE1 3.51Å; Y194-F235 AromaticContact CD2-CZ 3.86Å; Y194-F235 HydrophobicContact CD2-CZ 3.86Å; Y194-F235 HydrophobicContact CE2-CE1 4.36Å; Y194-F235 HydrophobicContact CE2-CZ 4.29Å; Y194-F235 HydrophobicContact CG-CE1 4.26Å; Y194-Y262 HydrophobicContact CD1-CD1 4.19Å; Y194-Y262 HydrophobicContact CD1-CE1 4.03Å; Y194-Y262 HydrophobicContact CE1-CD1 4.14Å; Y194-Y262 HydrophobicContact CE1-CE1 4.24Å; Y194-V263 WeakPolarHBondContact O-CA 3.48Å; Y194-G264 PolarHBondContact N-O 2.73Å; Y194-G264 PolarHBondContact O-N 2.87Å
195	I	91.1	Very high	80.6	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131	-171.9	-46.3	170.1	0	0	0	107.1	V193 F198 L207 F211 F233 G234 V236 V261 Y262 V263	V193-I195 HydrophobicContact CG1-CG1 4.01Å; I195-F198 HydrophobicContact CB-CD1 4.3Å; I195-F198 HydrophobicContact CB-CE1 4.2Å; I195-F198 HydrophobicContact CG2-CD1 3.65Å; I195-F198 HydrophobicContact CG2-CE1 4.04Å; I195-L207 HydrophobicContact CD1-CD1 3.92Å; I195-L207 HydrophobicContact CD1-CD2 4.22Å; I195-L207 HydrophobicContact CD1-CG 4.28Å; I195-L207 HydrophobicContact CG2-CD1 4.44Å; I195-F211 HydrophobicContact CD1-CD1 4.22Å; I195-F211 HydrophobicContact CD1-CD2 3.92Å; I195-F211 HydrophobicContact CD1-CE1 3.86Å; I195-F211 HydrophobicContact CD1-CE2 3.54Å; I195-F211 HydrophobicContact CD1-CG 4.25Å; I195-F211 HydrophobicContact CD1-CZ 3.51Å; I195-F211 HydrophobicContact CG1-CE1 4.45Å; I195-F211 HydrophobicContact CG1-CE2 4.49Å; I195-F211 HydrophobicContact CG1-CZ 4.09Å; I195-F211 HydrophobicContact CG2-CE2 4.26Å; I195-F211 HydrophobicContact CG2-CZ 4.08Å; I195-F233 CarbonylContact O-C 3.56Å; I195-F233 WeakPolarHBondContact O-CA 3.43Å; I195-F233 VanDerWaalsContact O-CB 3.31Å; I195-F233 WeakPolarHBondContact O-CB 3.4Å; I195-G234 PolarHBondContact N-O 3.21Å; I195-G234 PolarHBondContact O-N 3.27Å; I195-V236 HydrophobicContact CD1-CB 4.24Å; I195-V236 HydrophobicContact CD1-CG2 3.46Å; I195-V236 VanDerWaalsContact CD1-CG2 3.46Å; I195-V261 HydrophobicContact CG2-CG1 3.71Å; I195-Y262 CarbonylContact C-O 3.56Å; I195-Y262 WeakPolarHBondContact CA-O 3.2Å; I195-V263 HydrophobicContact CG1-CG1 4.32Å; I195-V263 HydrophobicContact CG2-CG2 4.03Å
196	K	90.9	Very high	81.9	Confident	99 Å²	99	71.7 Å²	71.7	43%	0.43	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.5	-174	-164.2	-147.3	174.2	-155.2	0	111.5	Y194 G232 F233 V261 Y262	Y194-K196 HydrophobicContact CE1-CB 3.85Å; Y194-K196 HydrophobicContact CE1-CG 4.38Å; Y194-K196 WeakPolarHBondContact OH-CG 3.13Å; K196-G232 CarbonylContact C-O 3.48Å; K196-G232 WeakPolarHBondContact CA-O 3.37Å; K196-F233 HydrophobicContact CB-CB 4.18Å; K196-F233 HydrophobicContact CG-CB 3.93Å; K196-V261 CarbonylContact O-C 3.46Å; K196-V261 WeakPolarHBondContact O-CA 3.19Å; K196-V261 WeakPolarHBondContact O-CG1 3.43Å; K196-Y262 HydrophobicContact CB-CD1 4.45Å; K196-Y262 PolarHBondContact N-O 3.2Å; K196-Y262 PolarHBondContact O-N 2.99Å
197	N	87.8	Confident	83.2	Confident	66 Å²	66	63.5 Å²	63.5	35%	0.353	31%	0.311	S	S	.	.			trans	75.1	23.7	172	-157.5	50.2	0	0	0	115.1	G199 G232 R259 Q260	N197-G199 VanDerWaalsContact C-N 3.32Å; N197-G199 PolarHBondContact O-N 2.98Å; N197-G232 PolarHBondContact N-O 2.8Å; N197-R259 VanDerWaalsContact O-CB 3.26Å; N197-R259 WeakPolarHBondContact O-CB 3.3Å; N197-Q260 WeakPolarHBondContact CB-O 3.35Å; N197-Q260 PolarHBondContact ND2-O 3.12Å
198	F	86.3	Confident	84.7	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.009	32%	0.317	C	S	.	.	S	Bend	trans	-82.3	3.5	-180	51.4	-125.2	0	0	0	115.6	I195 M202 L207 V222 F233 V261	I195-F198 HydrophobicContact CB-CD1 4.3Å; I195-F198 HydrophobicContact CB-CE1 4.2Å; I195-F198 HydrophobicContact CG2-CD1 3.65Å; I195-F198 HydrophobicContact CG2-CE1 4.04Å; F198-M202 HydrophobicContact CB-CG 4.24Å; F198-M202 HydrophobicContact CD2-CB 3.43Å; F198-M202 VanDerWaalsContact CD2-CB 3.43Å; F198-M202 HydrophobicContact CD2-CG 3.91Å; F198-M202 HydrophobicContact CE2-CB 3.74Å; F198-M202 HydrophobicContact CG-CB 4.22Å; F198-M202 HydrophobicContact CG-CG 4.35Å; F198-M202 VanDerWaalsContact O-CG 3.3Å; F198-M202 WeakPolarHBondContact O-CG 3.48Å; F198-L207 HydrophobicContact CD1-CD1 4.36Å; F198-L207 HydrophobicContact CE1-CD1 4.28Å; F198-L207 HydrophobicContact CE1-CD2 4.47Å; F198-V222 HydrophobicContact CE2-CG1 4.48Å; F198-V222 HydrophobicContact CZ-CG1 4.27Å; F198-V222 HydrophobicContact CZ-CG2 4.12Å; F198-F233 VanDerWaalsContact CZ-CA 3.5Å; F198-V261 HydrophobicContact CB-CG1 4.35Å; F198-V261 HydrophobicContact CB-CG2 4.07Å
199	G	81.8	Confident	86	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.01	32%	0.316	C	S	.	.			trans	100.7	179.8	-175.8	0	0	0	0	0	113.9	N197 G232	N197-G199 VanDerWaalsContact C-N 3.32Å; N197-G199 PolarHBondContact O-N 2.98Å; G199-G232 WeakPolarHBondContact O-CA 3.22Å
200	E	80.6	Confident	86.8	Confident	98 Å²	98	62.4 Å²	62.4	46%	0.458	30%	0.303	S	S	.	.	S	Bend	trans	-92.2	-21.4	172.8	-75	173.7	-127	0	0	111.4	M202 S230	E200-M202 PolarHBondContact O-N 3.41Å; E200-M202 VanDerWaalsContact O-N 3.15Å; E200-S230 WeakPolarHBondContact O-CB 3.36Å
201	D	78.9	Confident	87.3	Confident	95 Å²	95	61.2 Å²	61.2	51%	0.508	30%	0.298	S	S	.	.	S	Bend	trans	-81.6	14	-172.4	-30.1	-88.6	0	0	0	113.9	K206	D201-K206 WeakPolarHBondContact O-CD 3.3Å; D201-K206 PolarHBondContact O-NZ 3.31Å
202	M	82.2	Confident	87.5	Confident	28 Å²	28	62 Å²	62	14%	0.138	31%	0.306	C	S	.	.			trans	-116.7	115	-172.2	-75	-68.2	127.2	0	0	110.8	F198 E200 K206	F198-M202 HydrophobicContact CB-CG 4.24Å; F198-M202 HydrophobicContact CD2-CB 3.43Å; F198-M202 VanDerWaalsContact CD2-CB 3.43Å; F198-M202 HydrophobicContact CD2-CG 3.91Å; F198-M202 HydrophobicContact CE2-CB 3.74Å; F198-M202 HydrophobicContact CG-CB 4.22Å; F198-M202 HydrophobicContact CG-CG 4.35Å; F198-M202 VanDerWaalsContact O-CG 3.3Å; F198-M202 WeakPolarHBondContact O-CG 3.48Å; E200-M202 PolarHBondContact O-N 3.41Å; E200-M202 VanDerWaalsContact O-N 3.15Å; M202-K206 HydrophobicContact CE-CD 4.14Å; M202-K206 HydrophobicContact SD-CB 4.05Å; M202-K206 HydrophobicContact SD-CD 4.29Å
203	D	86	Confident	87.6	Confident	83 Å²	83	64.4 Å²	64.4	44%	0.444	31%	0.313	S	S	.	.			trans	-108.7	170.4	-175.7	-47.1	-73.6	0	0	0	111.2	E205 K206 L207	D203-E205 PolarHBondContact O-N 2.71Å; D203-K206 PolarHBondContact O-N 2.74Å; D203-K206 WeakPolarHBondContact OD2-CE 3.37Å; D203-K206 IonicContact OD2-NZ 2.79Å; D203-K206 PolarHBondContact OD2-NZ 3.38Å; D203-L207 WeakPolarHBondContact O-CB 3.41Å; D203-L207 PolarHBondContact O-N 2.82Å
204	D	87.6	Confident	87.5	Confident	74 Å²	74	65.7 Å²	65.7	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-53.2	-38.5	-179.2	-75.6	-18.3	0	0	0	113.3	K208 R221 V222	D204-K208 WeakPolarHBondContact O-CB 3.43Å; D204-K208 PolarHBondContact O-N 2.78Å; D204-R221 WeakPolarHBondContact OD1-CA 3.28Å; D204-V222 WeakPolarHBondContact OD1-CB 3.46Å; D204-V222 PolarHBondContact OD1-N 3.03Å
205	E	88.5	Confident	87.4	Confident	165 Å²	165	65 Å²	65	77%	0.771	32%	0.319	S	S	*	.	H	α-helix	trans	-71.6	-45.9	-177.7	-59.7	-172.9	151	0	0	112.4	D203 L207 K208 E209	D203-E205 PolarHBondContact O-N 2.71Å; E205-L207 VanDerWaalsContact C-N 3.33Å; E205-L207 PolarHBondContact O-N 3.18Å; E205-K208 WeakPolarHBondContact O-CB 3.39Å; E205-K208 PolarHBondContact O-N 3.09Å; E205-E209 PolarHBondContact O-N 3.06Å
206	K	87.4	Confident	87.3	Confident	89 Å²	89	68.1 Å²	68.1	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-40.8	175.6	-63.9	166.1	-177.4	157.2	0	111	D201 M202 D203 K208 L210	D201-K206 WeakPolarHBondContact O-CD 3.3Å; D201-K206 PolarHBondContact O-NZ 3.31Å; M202-K206 HydrophobicContact CE-CD 4.14Å; M202-K206 HydrophobicContact SD-CB 4.05Å; M202-K206 HydrophobicContact SD-CD 4.29Å; D203-K206 PolarHBondContact O-N 2.74Å; D203-K206 WeakPolarHBondContact OD2-CE 3.37Å; D203-K206 IonicContact OD2-NZ 2.79Å; D203-K206 PolarHBondContact OD2-NZ 3.38Å; K206-K208 VanDerWaalsContact C-N 3.33Å; K206-L210 VanDerWaalsContact O-CB 3.31Å; K206-L210 WeakPolarHBondContact O-CB 3.35Å; K206-L210 PolarHBondContact O-N 3.46Å
207	L	88.2	Confident	87.1	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-37.1	176.1	-164.9	67.9	0	0	0	111.3	I195 F198 D203 E205 F211 I220 V222 V236	I195-L207 HydrophobicContact CD1-CD1 3.92Å; I195-L207 HydrophobicContact CD1-CD2 4.22Å; I195-L207 HydrophobicContact CD1-CG 4.28Å; I195-L207 HydrophobicContact CG2-CD1 4.44Å; F198-L207 HydrophobicContact CD1-CD1 4.36Å; F198-L207 HydrophobicContact CE1-CD1 4.28Å; F198-L207 HydrophobicContact CE1-CD2 4.47Å; D203-L207 WeakPolarHBondContact O-CB 3.41Å; D203-L207 PolarHBondContact O-N 2.82Å; E205-L207 VanDerWaalsContact C-N 3.33Å; E205-L207 PolarHBondContact O-N 3.18Å; L207-F211 HydrophobicContact CD1-CD2 3.84Å; L207-F211 HydrophobicContact CD1-CE2 3.76Å; L207-F211 HydrophobicContact CG-CD2 4.28Å; L207-F211 WeakPolarHBondContact O-CB 3.42Å; L207-F211 WeakPolarHBondContact O-CD2 3.21Å; L207-F211 PolarHBondContact O-N 3.42Å; L207-F211 VanDerWaalsContact O-N 3.11Å; L207-I220 HydrophobicContact CB-CG2 4.23Å; L207-I220 HydrophobicContact CD2-CG2 3.95Å; L207-I220 HydrophobicContact CG-CG2 4.17Å; L207-V222 HydrophobicContact CB-CG2 4.41Å; L207-V222 HydrophobicContact CD2-CG2 3.78Å; L207-V236 HydrophobicContact CD2-CG2 4.47Å
208	K	89.6	Confident	87.1	Confident	136 Å²	136	68 Å²	68	59%	0.591	35%	0.349	S	S	*	.	H	α-helix	trans	-64.7	-49	173.9	176.4	-179.4	177.8	-172.6	0	112.4	D204 E205 K206 F211 S212 I220	D204-K208 WeakPolarHBondContact O-CB 3.43Å; D204-K208 PolarHBondContact O-N 2.78Å; E205-K208 WeakPolarHBondContact O-CB 3.39Å; E205-K208 PolarHBondContact O-N 3.09Å; K206-K208 VanDerWaalsContact C-N 3.33Å; K208-F211 PolarHBondContact O-N 2.99Å; K208-S212 WeakPolarHBondContact O-CB 2.8Å; K208-S212 PolarHBondContact O-N 2.68Å; K208-S212 PolarHBondContact O-OG 2.93Å; K208-I220 HydrophobicContact CB-CD1 3.82Å; K208-I220 HydrophobicContact CG-CD1 4.05Å
209	E	89.6	Confident	87.1	Confident	147 Å²	147	71.3 Å²	71.3	69%	0.687	37%	0.373	S	S	*	.	H	α-helix	trans	-55.2	-55	174.8	-176.5	179.8	-166.7	0	0	110.4	E205 F211 S212	E205-E209 PolarHBondContact O-N 3.06Å; E209-F211 VanDerWaalsContact C-N 3.31Å; E209-F211 PolarHBondContact O-N 2.95Å; E209-S212 PolarHBondContact O-N 2.68Å; E209-S212 PolarHBondContact O-OG 3.44Å
210	L	88.1	Confident	87.6	Confident	40 Å²	40	72.8 Å²	72.8	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-63.9	-29.3	-173.7	-168.2	145.3	0	0	0	114.4	K206 K213 M251 L256	K206-L210 VanDerWaalsContact O-CB 3.31Å; K206-L210 WeakPolarHBondContact O-CB 3.35Å; K206-L210 PolarHBondContact O-N 3.46Å; L210-K213 VanDerWaalsContact O-CD 3.3Å; L210-K213 WeakPolarHBondContact O-CD 3.2Å; L210-K213 WeakPolarHBondContact O-CE 3.34Å; L210-K213 PolarHBondContact O-NZ 3Å; L210-M251 HydrophobicContact CD2-CE 3.76Å; L210-M251 HydrophobicContact CD2-CG 4.48Å; L210-M251 HydrophobicContact CD2-SD 3.91Å; L210-L256 HydrophobicContact CD1-CD1 3.74Å; L210-L256 HydrophobicContact CD1-CD2 4.14Å; L210-L256 HydrophobicContact CD2-CD1 4.43Å
211	F	89.1	Confident	88	Confident	1 Å²	1	75.8 Å²	75.8	0%	0.004	39%	0.387	C	S	.	.	H	α-helix	trans	-99.1	-17.1	178.3	-79.6	-93.7	0	0	0	115	I195 L207 K208 E209 K213 Y214 V236 F238 A247 M251 V263	I195-F211 HydrophobicContact CD1-CD1 4.22Å; I195-F211 HydrophobicContact CD1-CD2 3.92Å; I195-F211 HydrophobicContact CD1-CE1 3.86Å; I195-F211 HydrophobicContact CD1-CE2 3.54Å; I195-F211 HydrophobicContact CD1-CG 4.25Å; I195-F211 HydrophobicContact CD1-CZ 3.51Å; I195-F211 HydrophobicContact CG1-CE1 4.45Å; I195-F211 HydrophobicContact CG1-CE2 4.49Å; I195-F211 HydrophobicContact CG1-CZ 4.09Å; I195-F211 HydrophobicContact CG2-CE2 4.26Å; I195-F211 HydrophobicContact CG2-CZ 4.08Å; L207-F211 HydrophobicContact CD1-CD2 3.84Å; L207-F211 HydrophobicContact CD1-CE2 3.76Å; L207-F211 HydrophobicContact CG-CD2 4.28Å; L207-F211 WeakPolarHBondContact O-CB 3.42Å; L207-F211 WeakPolarHBondContact O-CD2 3.21Å; L207-F211 PolarHBondContact O-N 3.42Å; L207-F211 VanDerWaalsContact O-N 3.11Å; K208-F211 PolarHBondContact O-N 2.99Å; E209-F211 VanDerWaalsContact C-N 3.31Å; E209-F211 PolarHBondContact O-N 2.95Å; F211-K213 PolarHBondContact O-N 2.95Å; F211-Y214 HydrophobicContact CB-CD2 4.47Å; F211-Y214 AromaticContact CD1-CD2 3.87Å; F211-Y214 HydrophobicContact CD1-CD2 3.87Å; F211-Y214 HydrophobicContact CD1-CE2 4.04Å; F211-Y214 HydrophobicContact CE1-CD2 4.49Å; F211-Y214 HydrophobicContact CE1-CE2 4.31Å; F211-Y214 HydrophobicContact CG-CD2 4.44Å; F211-Y214 WeakPolarHBondContact O-CD2 3.3Å; F211-Y214 PolarHBondContact O-N 3.44Å; F211-Y214 VanDerWaalsContact O-N 3.1Å; F211-V236 HydrophobicContact CB-CG2 4.39Å; F211-V236 HydrophobicContact CG-CG2 4.33Å; F211-F238 HydrophobicContact CB-CZ 4.32Å; F211-F238 HydrophobicContact CD1-CZ 4.21Å; F211-A247 HydrophobicContact CD1-CB 3.97Å; F211-A247 HydrophobicContact CE1-CB 4.12Å; F211-M251 HydrophobicContact CE1-CB 4.19Å; F211-M251 HydrophobicContact CE1-CG 3.89Å; F211-M251 HydrophobicContact CZ-CB 4.01Å; F211-M251 HydrophobicContact CZ-CG 3.78Å; F211-V263 HydrophobicContact CE1-CG1 4.29Å; F211-V263 HydrophobicContact CZ-CG2 4.34Å
212	S	90.1	Very high	88.6	Confident	68 Å²	68	71.6 Å²	71.6	48%	0.476	37%	0.365	S	S	.	.	H	α-helix	trans	-57.3	-32.2	177.9	64.5	0	0	0	0	113.4	K208 E209 Y214 G215	K208-S212 WeakPolarHBondContact O-CB 2.8Å; K208-S212 PolarHBondContact O-N 2.68Å; K208-S212 PolarHBondContact O-OG 2.93Å; E209-S212 PolarHBondContact O-N 2.68Å; E209-S212 PolarHBondContact O-OG 3.44Å; S212-Y214 PolarHBondContact O-N 3.19Å; S212-Y214 VanDerWaalsContact O-N 3.13Å; S212-G215 PolarHBondContact O-N 3.38Å; S212-G215 VanDerWaalsContact O-N 3.16Å
213	K	91.1	Very high	88.9	Confident	124 Å²	124	73.4 Å²	73.4	54%	0.539	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.6	177.8	75.7	-164	-173.2	-150.6	0	114.8	L210 F211	L210-K213 VanDerWaalsContact O-CD 3.3Å; L210-K213 WeakPolarHBondContact O-CD 3.2Å; L210-K213 WeakPolarHBondContact O-CE 3.34Å; L210-K213 PolarHBondContact O-NZ 3Å; F211-K213 PolarHBondContact O-N 2.95Å
214	Y	90.7	Very high	89.1	Confident	26 Å²	26	73.1 Å²	73.1	10%	0.102	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-23.7	176.3	-59.8	-66.9	0	0	0	113.3	F211 S212 D243 K246 A247 D250 M251	F211-Y214 HydrophobicContact CB-CD2 4.47Å; F211-Y214 AromaticContact CD1-CD2 3.87Å; F211-Y214 HydrophobicContact CD1-CD2 3.87Å; F211-Y214 HydrophobicContact CD1-CE2 4.04Å; F211-Y214 HydrophobicContact CE1-CD2 4.49Å; F211-Y214 HydrophobicContact CE1-CE2 4.31Å; F211-Y214 HydrophobicContact CG-CD2 4.44Å; F211-Y214 WeakPolarHBondContact O-CD2 3.3Å; F211-Y214 PolarHBondContact O-N 3.44Å; F211-Y214 VanDerWaalsContact O-N 3.1Å; S212-Y214 PolarHBondContact O-N 3.19Å; S212-Y214 VanDerWaalsContact O-N 3.13Å; Y214-D243 WeakPolarHBondContact O-CB 3.42Å; Y214-K246 HydrophobicContact CD1-CB 4.32Å; Y214-A247 HydrophobicContact CD2-CB 3.72Å; Y214-A247 HydrophobicContact CE2-CB 4.39Å; Y214-A247 HydrophobicContact CG-CB 3.82Å; Y214-D250 HydrophobicContact CE1-CB 3.81Å; Y214-D250 WeakPolarHBondContact CE1-OD2 3.4Å; Y214-D250 PolarHBondContact OH-OD2 2.77Å; Y214-M251 HydrophobicContact CE2-CG 3.67Å; Y214-M251 HydrophobicContact CE2-SD 4.43Å; Y214-M251 WeakPolarHBondContact OH-CG 3.41Å; Y214-M251 PolarHBondContact OH-SD 3.11Å
215	G	88.9	Confident	89	Confident	15 Å²	15	73.4 Å²	73.4	16%	0.155	38%	0.377	C	S	.	.	S	Bend	trans	155.1	174.6	-179.5	0	0	0	0	0	113.3	S212 A217	S212-G215 PolarHBondContact O-N 3.38Å; S212-G215 VanDerWaalsContact O-N 3.16Å; G215-A217 PolarHBondContact O-N 3.42Å
216	P	89.1	Confident	88.8	Confident	67 Å²	67	75 Å²	75	44%	0.435	38%	0.384	S	S	.	.			trans	-65.5	126.6	-178.8	26.3	-33.7	0	0	0	111.9	F238 E239	P216-F238 WeakPolarHBondContact O-CA 3.04Å; P216-E239 HydrophobicContact CB-CB 4.5Å; P216-E239 HydrophobicContact CG-CB 4Å; P216-E239 WeakPolarHBondContact CG-OE2 3.27Å; P216-E239 PolarHBondContact O-N 2.93Å
217	A	87.8	Confident	88.5	Confident	41 Å²	41	75.9 Å²	75.9	34%	0.339	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.1	176.8	0	0	0	0	0	111.3	G215 I220 V236 S237	G215-A217 PolarHBondContact O-N 3.42Å; A217-I220 HydrophobicContact CB-CD1 3.65Å; A217-I220 HydrophobicContact CB-CG1 3.8Å; A217-V236 HydrophobicContact CB-CG1 4.03Å; A217-S237 CarbonylContact C-O 3.56Å; A217-S237 VanDerWaalsContact CA-O 3.29Å; A217-S237 WeakPolarHBondContact CA-O 3.38Å
218	L	87	Confident	88	Confident	122 Å²	122	78.1 Å²	78.1	64%	0.639	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	-31.8	175.1	-62.6	175	0	0	0	112.6	S237 E239	L218-S237 PolarHBondContact N-O 2.9Å; L218-E239 HydrophobicContact CD2-CB 4.31Å; L218-E239 HydrophobicContact CD2-CG 4.36Å; L218-E239 HydrophobicContact CG-CB 4.23Å
219	S	87.4	Confident	87.5	Confident	72 Å²	72	78 Å²	78	50%	0.503	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	138.1	-179.9	-170.6	0	0	0	0	110.9	V236 S237	S219-V236 CarbonylContact O-C 3.54Å; S219-V236 WeakPolarHBondContact O-CA 3.45Å; S219-S237 PolarHBondContact N-O 2.98Å; S219-S237 PolarHBondContact O-N 3.02Å
220	I	90.7	Very high	87.3	Confident	31 Å²	31	71.5 Å²	71.5	16%	0.159	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135	175.6	-61.2	-168.9	0	0	0	107.4	L207 K208 A217 F235 V236	L207-I220 HydrophobicContact CB-CG2 4.23Å; L207-I220 HydrophobicContact CD2-CG2 3.95Å; L207-I220 HydrophobicContact CG-CG2 4.17Å; K208-I220 HydrophobicContact CB-CD1 3.82Å; K208-I220 HydrophobicContact CG-CD1 4.05Å; A217-I220 HydrophobicContact CB-CD1 3.65Å; A217-I220 HydrophobicContact CB-CG1 3.8Å; I220-F235 WeakPolarHBondContact CA-O 3.49Å; I220-V236 HydrophobicContact CB-CG2 4.48Å; I220-V236 HydrophobicContact CD1-CG1 4.16Å; I220-V236 HydrophobicContact CD1-CG2 4.08Å; I220-V236 HydrophobicContact CG1-CB 4.38Å; I220-V236 HydrophobicContact CG1-CG1 4.05Å; I220-V236 HydrophobicContact CG1-CG2 3.96Å; I220-V236 HydrophobicContact CG2-CG2 4.1Å
221	R	90.4	Very high	87.2	Confident	161 Å²	161	73.9 Å²	73.9	61%	0.608	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.5	114.9	179.4	-167.8	172.5	-171.8	175.7	5.1	113.1	D204 G234 F235	D204-R221 WeakPolarHBondContact OD1-CA 3.28Å; R221-G234 CarbonylContact O-C 3.59Å; R221-G234 WeakPolarHBondContact O-CA 3.14Å; R221-F235 PolarHBondContact N-O 2.94Å; R221-F235 PolarHBondContact O-N 3.31Å
222	V	90.8	Very high	87	Confident	8 Å²	8	74.5 Å²	74.5	5%	0.048	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.9	160.2	175.7	0	0	0	0	108.6	F198 D204 L207 S230	F198-V222 HydrophobicContact CE2-CG1 4.48Å; F198-V222 HydrophobicContact CZ-CG1 4.27Å; F198-V222 HydrophobicContact CZ-CG2 4.12Å; D204-V222 WeakPolarHBondContact OD1-CB 3.46Å; D204-V222 PolarHBondContact OD1-N 3.03Å; L207-V222 HydrophobicContact CB-CG2 4.41Å; L207-V222 HydrophobicContact CD2-CG2 3.78Å; V222-S230 WeakPolarHBondContact CG1-OG 3.19Å
223	M	88.8	Confident	87	Confident	65 Å²	65	73.7 Å²	73.7	32%	0.32	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	108	173.7	-71.1	-61.8	-54.6	0	0	109.3	K231 F233 F235	M223-K231 WeakPolarHBondContact O-CB 3.47Å; M223-K231 VanDerWaalsContact O-CG 3.3Å; M223-K231 WeakPolarHBondContact O-CG 3.41Å; M223-K231 PolarHBondContact O-N 3.44Å; M223-F233 HydrophobicContact CB-CD2 3.97Å; M223-F233 HydrophobicContact CB-CE1 4.27Å; M223-F233 HydrophobicContact CB-CE2 3.58Å; M223-F233 HydrophobicContact CB-CZ 3.73Å; M223-F233 HydrophobicContact CG-CD2 3.97Å; M223-F233 HydrophobicContact CG-CE2 3.46Å; M223-F233 VanDerWaalsContact CG-CE2 3.46Å; M223-F233 HydrophobicContact CG-CZ 4.02Å; M223-F233 PolarHBondContact N-O 3.39Å; M223-F235 HydrophobicContact CG-CD2 4.24Å; M223-F235 HydrophobicContact CG-CE2 3.89Å
224	T	89.2	Confident	87	Confident	78 Å²	78	67.8 Å²	67.8	48%	0.479	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	161	171.6	50.9	0	0	0	0	111.9	G228 K229 K231	T224-G228 WeakPolarHBondContact CB-O 3.29Å; T224-G228 WeakPolarHBondContact CG2-O 3.4Å; T224-K229 CarbonylContact C-O 3.45Å; T224-K229 WeakPolarHBondContact CA-O 3.41Å; T224-K231 WeakPolarHBondContact O-CD 3.38Å
225	D	86.3	Confident	87.1	Confident	80 Å²	80	70.4 Å²	70.4	43%	0.428	39%	0.386	S	S	.	.			trans	-91	175	173.7	-136	-12.9	0	0	0	112.1	S227 G228 K229 K231	D225-S227 PolarHBondContact O-N 2.74Å; D225-S227 VanDerWaalsContact O-N 3.1Å; D225-G228 PolarHBondContact O-N 2.85Å; D225-K229 PolarHBondContact N-O 3.14Å; D225-K231 HydrophobicContact CB-CD 4.2Å; D225-K231 HydrophobicContact CB-CG 3.87Å; D225-K231 IonicContact OD1-NZ 2.68Å; D225-K231 PolarHBondContact OD1-NZ 2.9Å; D225-K231 IonicContact OD2-NZ 3.75Å; D225-K231 PolarHBondContact OD2-NZ 2.72Å
226	E	84.4	Confident	87.3	Confident	197 Å²	197	69.7 Å²	69.7	92%	0.921	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.4	178.8	-64.5	178.9	174.5	0	0	112.9	G228	E226-G228 VanDerWaalsContact C-N 3.3Å; E226-G228 PolarHBondContact O-N 3.09Å
227	S	80.5	Confident	87.4	Confident	108 Å²	108	67.8 Å²	67.8	76%	0.755	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	15.5	173.5	-45.7	0	0	0	0	114.5	D225 K229	D225-S227 PolarHBondContact O-N 2.74Å; D225-S227 VanDerWaalsContact O-N 3.1Å; S227-K229 PolarHBondContact O-N 2.59Å
228	G	77.8	Confident	87.5	Confident	53 Å²	53	65.8 Å²	65.8	55%	0.546	35%	0.35	S	S	.	.	S	Bend	trans	74.7	-17.1	179.1	0	0	0	0	0	116.2	T224 D225 E226	T224-G228 WeakPolarHBondContact CB-O 3.29Å; T224-G228 WeakPolarHBondContact CG2-O 3.4Å; D225-G228 PolarHBondContact O-N 2.85Å; E226-G228 VanDerWaalsContact C-N 3.3Å; E226-G228 PolarHBondContact O-N 3.09Å
229	K	80.6	Confident	87.6	Confident	134 Å²	134	65.7 Å²	65.7	58%	0.583	35%	0.347	S	S	*	.			trans	-64.7	143.8	178.4	-66.4	-168.5	169.6	-159	0	112.7	T224 D225 S227 K231	T224-K229 CarbonylContact C-O 3.45Å; T224-K229 WeakPolarHBondContact CA-O 3.41Å; D225-K229 PolarHBondContact N-O 3.14Å; S227-K229 PolarHBondContact O-N 2.59Å; K229-K231 PolarHBondContact O-N 3.4Å
230	S	85.1	Confident	87.6	Confident	11 Å²	11	67.5 Å²	67.5	8%	0.077	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	132.1	173.2	-178.8	0	0	0	0	111.7	E200 V222 G232	E200-S230 WeakPolarHBondContact O-CB 3.36Å; V222-S230 WeakPolarHBondContact CG1-OG 3.19Å; S230-G232 PolarHBondContact O-N 2.85Å; S230-G232 PolarHBondContact OG-N 3.44Å
231	K	85.8	Confident	87.4	Confident	90 Å²	90	68.8 Å²	68.8	39%	0.391	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	12.1	174.6	-57.1	173.6	80.4	77	0	112.2	M223 T224 D225 K229 F233	M223-K231 WeakPolarHBondContact O-CB 3.47Å; M223-K231 VanDerWaalsContact O-CG 3.3Å; M223-K231 WeakPolarHBondContact O-CG 3.41Å; M223-K231 PolarHBondContact O-N 3.44Å; T224-K231 WeakPolarHBondContact O-CD 3.38Å; D225-K231 HydrophobicContact CB-CD 4.2Å; D225-K231 HydrophobicContact CB-CG 3.87Å; D225-K231 IonicContact OD1-NZ 2.68Å; D225-K231 PolarHBondContact OD1-NZ 2.9Å; D225-K231 IonicContact OD2-NZ 3.75Å; D225-K231 PolarHBondContact OD2-NZ 2.72Å; K229-K231 PolarHBondContact O-N 3.4Å; K231-F233 VanDerWaalsContact C-N 3.28Å; K231-F233 HydrophobicContact CB-CD1 3.87Å; K231-F233 HydrophobicContact CB-CE1 3.69Å; K231-F233 HydrophobicContact CD-CE1 4.3Å; K231-F233 WeakPolarHBondContact O-CD1 3.28Å; K231-F233 PolarHBondContact O-N 3.34Å
232	G	84.7	Confident	87.4	Confident	13 Å²	13	65.9 Å²	65.9	13%	0.134	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	65.9	25.6	-178.9	0	0	0	0	0	114.2	K196 N197 G199 S230	K196-G232 CarbonylContact C-O 3.48Å; K196-G232 WeakPolarHBondContact CA-O 3.37Å; N197-G232 PolarHBondContact N-O 2.8Å; G199-G232 WeakPolarHBondContact O-CA 3.22Å; S230-G232 PolarHBondContact O-N 2.85Å; S230-G232 PolarHBondContact OG-N 3.44Å
233	F	90.6	Very high	87.4	Confident	51 Å²	51	66 Å²	66	22%	0.224	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156.6	171.6	74.6	-93.4	0	0	0	112.5	Y194 I195 K196 F198 M223 K231 F235	Y194-F233 HydrophobicContact CD2-CD2 4.42Å; Y194-F233 HydrophobicContact CE2-CB 3.95Å; Y194-F233 AromaticContact CE2-CD2 3.58Å; Y194-F233 HydrophobicContact CE2-CD2 3.58Å; Y194-F233 HydrophobicContact CE2-CE2 4.32Å; Y194-F233 HydrophobicContact CE2-CG 4.03Å; I195-F233 CarbonylContact O-C 3.56Å; I195-F233 WeakPolarHBondContact O-CA 3.43Å; I195-F233 VanDerWaalsContact O-CB 3.31Å; I195-F233 WeakPolarHBondContact O-CB 3.4Å; K196-F233 HydrophobicContact CB-CB 4.18Å; K196-F233 HydrophobicContact CG-CB 3.93Å; F198-F233 VanDerWaalsContact CZ-CA 3.5Å; M223-F233 HydrophobicContact CB-CD2 3.97Å; M223-F233 HydrophobicContact CB-CE1 4.27Å; M223-F233 HydrophobicContact CB-CE2 3.58Å; M223-F233 HydrophobicContact CB-CZ 3.73Å; M223-F233 HydrophobicContact CG-CD2 3.97Å; M223-F233 HydrophobicContact CG-CE2 3.46Å; M223-F233 VanDerWaalsContact CG-CE2 3.46Å; M223-F233 HydrophobicContact CG-CZ 4.02Å; M223-F233 PolarHBondContact N-O 3.39Å; K231-F233 VanDerWaalsContact C-N 3.28Å; K231-F233 HydrophobicContact CB-CD1 3.87Å; K231-F233 HydrophobicContact CB-CE1 3.69Å; K231-F233 HydrophobicContact CD-CE1 4.3Å; K231-F233 WeakPolarHBondContact O-CD1 3.28Å; K231-F233 PolarHBondContact O-N 3.34Å; F233-F235 HydrophobicContact CD2-CE2 4.27Å; F233-F235 HydrophobicContact CE2-CE2 4.06Å; F233-F235 HydrophobicContact CE2-CZ 4.37Å
234	G	91.3	Very high	87.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-179.4	-179.3	0	0	0	0	0	112.6	I195 R221	I195-G234 PolarHBondContact N-O 3.21Å; I195-G234 PolarHBondContact O-N 3.27Å; R221-G234 CarbonylContact O-C 3.59Å; R221-G234 WeakPolarHBondContact O-CA 3.14Å
235	F	92.6	Very high	87.5	Confident	81 Å²	81	62 Å²	62	36%	0.355	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.8	179.9	-59	-86.5	0	0	0	110.3	V193 Y194 I220 R221 M223 F233 A266	V193-F235 VanDerWaalsContact O-CA 3.31Å; V193-F235 WeakPolarHBondContact O-CA 3.42Å; Y194-F235 HydrophobicContact CD2-CD1 4.03Å; Y194-F235 AromaticContact CD2-CE1 3.51Å; Y194-F235 HydrophobicContact CD2-CE1 3.51Å; Y194-F235 AromaticContact CD2-CZ 3.86Å; Y194-F235 HydrophobicContact CD2-CZ 3.86Å; Y194-F235 HydrophobicContact CE2-CE1 4.36Å; Y194-F235 HydrophobicContact CE2-CZ 4.29Å; Y194-F235 HydrophobicContact CG-CE1 4.26Å; I220-F235 WeakPolarHBondContact CA-O 3.49Å; R221-F235 PolarHBondContact N-O 2.94Å; R221-F235 PolarHBondContact O-N 3.31Å; M223-F235 HydrophobicContact CG-CD2 4.24Å; M223-F235 HydrophobicContact CG-CE2 3.89Å; F233-F235 HydrophobicContact CD2-CE2 4.27Å; F233-F235 HydrophobicContact CE2-CE2 4.06Å; F233-F235 HydrophobicContact CE2-CZ 4.37Å; F235-A266 HydrophobicContact CD1-CB 3.96Å; F235-A266 HydrophobicContact CE1-CB 4.23Å
236	V	92.8	Very high	87.7	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.2	170.5	174.1	0	0	0	0	107.7	N192 V193 I195 L207 F211 A217 S219 I220 F238	N192-V236 CarbonylContact C-O 3.52Å; N192-V236 WeakPolarHBondContact CA-O 3.46Å; V193-V236 PolarHBondContact N-O 3.06Å; V193-V236 PolarHBondContact O-N 3.29Å; I195-V236 HydrophobicContact CD1-CB 4.24Å; I195-V236 HydrophobicContact CD1-CG2 3.46Å; I195-V236 VanDerWaalsContact CD1-CG2 3.46Å; L207-V236 HydrophobicContact CD2-CG2 4.47Å; F211-V236 HydrophobicContact CB-CG2 4.39Å; F211-V236 HydrophobicContact CG-CG2 4.33Å; A217-V236 HydrophobicContact CB-CG1 4.03Å; S219-V236 CarbonylContact O-C 3.54Å; S219-V236 WeakPolarHBondContact O-CA 3.45Å; I220-V236 HydrophobicContact CB-CG2 4.48Å; I220-V236 HydrophobicContact CD1-CG1 4.16Å; I220-V236 HydrophobicContact CD1-CG2 4.08Å; I220-V236 HydrophobicContact CG1-CB 4.38Å; I220-V236 HydrophobicContact CG1-CG1 4.05Å; I220-V236 HydrophobicContact CG1-CG2 3.96Å; I220-V236 HydrophobicContact CG2-CG2 4.1Å; V236-F238 HydrophobicContact CB-CE2 4.19Å; V236-F238 HydrophobicContact CG1-CD2 3.75Å; V236-F238 HydrophobicContact CG1-CE1 4.24Å; V236-F238 HydrophobicContact CG1-CE2 3.36Å; V236-F238 HydrophobicContact CG1-CG 4.36Å; V236-F238 HydrophobicContact CG1-CZ 3.64Å
237	S	90.3	Very high	88.1	Confident	26 Å²	26	53.5 Å²	53.5	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.2	174.8	-170.3	0	0	0	0	107.9	N192 A217 L218 S219	N192-S237 VanDerWaalsContact OD1-CB 3.26Å; N192-S237 WeakPolarHBondContact OD1-CB 3.43Å; N192-S237 PolarHBondContact OD1-OG 3.45Å; A217-S237 CarbonylContact C-O 3.56Å; A217-S237 VanDerWaalsContact CA-O 3.29Å; A217-S237 WeakPolarHBondContact CA-O 3.38Å; L218-S237 PolarHBondContact N-O 2.9Å; S219-S237 PolarHBondContact N-O 2.98Å; S219-S237 PolarHBondContact O-N 3.02Å
238	F	91.3	Very high	88.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	158.5	175.5	-70.5	-85.8	0	0	0	111.5	T191 V193 F211 P216 V236 D243 A244 A247	T191-F238 WeakPolarHBondContact CB-O 3.48Å; T191-F238 WeakPolarHBondContact CG2-O 3.38Å; T191-F238 PolarHBondContact O-N 2.82Å; V193-F238 HydrophobicContact CG2-CD2 3.96Å; V193-F238 HydrophobicContact CG2-CE2 3.87Å; F211-F238 HydrophobicContact CB-CZ 4.32Å; F211-F238 HydrophobicContact CD1-CZ 4.21Å; P216-F238 WeakPolarHBondContact O-CA 3.04Å; V236-F238 HydrophobicContact CB-CE2 4.19Å; V236-F238 HydrophobicContact CG1-CD2 3.75Å; V236-F238 HydrophobicContact CG1-CE1 4.24Å; V236-F238 HydrophobicContact CG1-CE2 3.36Å; V236-F238 HydrophobicContact CG1-CG 4.36Å; V236-F238 HydrophobicContact CG1-CZ 3.64Å; F238-D243 HydrophobicContact CD1-CB 4.04Å; F238-D243 HydrophobicContact CG-CB 4.4Å; F238-A244 HydrophobicContact CB-CB 4.14Å; F238-A244 VanDerWaalsContact CD2-CA 3.45Å; F238-A244 HydrophobicContact CD2-CB 3.64Å; F238-A244 HydrophobicContact CE2-CB 4.44Å; F238-A244 HydrophobicContact CG-CB 4.19Å; F238-A247 HydrophobicContact CE2-CB 3.65Å; F238-A247 HydrophobicContact CZ-CB 3.65Å
239	E	88.4	Confident	89.3	Confident	120 Å²	120	51.9 Å²	51.9	56%	0.561	24%	0.243	S	C	*	.	S	Bend	trans	-70.3	-36.4	172.8	-167.7	176.1	179.9	0	0	112	P216 L218	P216-E239 HydrophobicContact CB-CB 4.5Å; P216-E239 HydrophobicContact CG-CB 4Å; P216-E239 WeakPolarHBondContact CG-OE2 3.27Å; P216-E239 PolarHBondContact O-N 2.93Å; L218-E239 HydrophobicContact CD2-CB 4.31Å; L218-E239 HydrophobicContact CD2-CG 4.36Å; L218-E239 HydrophobicContact CG-CB 4.23Å
240	R	87.4	Confident	89.8	Confident	110 Å²	110	48.8 Å²	48.8	42%	0.415	23%	0.233	S	C	.	.	S	Bend	trans	-120.2	145.2	-175.6	-52.4	176.2	71.3	-109.3	-3	111.4	E242 D243 A244	R240-E242 IonicContact CZ-OE1 2.87Å; R240-E242 IonicContact CZ-OE2 2.84Å; R240-E242 VanDerWaalsContact CZ-OE2 3.31Å; R240-E242 VanDerWaalsContact NH1-CD 3.35Å; R240-E242 IonicContact NH1-OE1 2.78Å; R240-E242 IonicContact NH1-OE2 3.1Å; R240-E242 PolarHBondContact NH1-OE2 3.47Å; R240-E242 IonicContact NH2-OE1 2.61Å; R240-E242 PolarHBondContact NH2-OE1 2.79Å; R240-E242 IonicContact NH2-OE2 3.03Å; R240-E242 PolarHBondContact NH2-OE2 3.39Å; R240-E242 PolarHBondContact O-N 3.13Å; R240-D243 WeakPolarHBondContact CB-OD2 3.41Å; R240-D243 IonicContact NH1-OD1 2.75Å; R240-D243 IonicContact NH1-OD2 2.77Å; R240-D243 PolarHBondContact O-N 2.71Å; R240-A244 PolarHBondContact O-N 2.81Å
241	H	87.4	Confident	90	Very high	57 Å²	57	48.5 Å²	48.5	26%	0.264	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-40.1	177.4	167.8	42.9	0	0	0	112.7	R188 E189 F190 D243 A244 Q245	R188-H241 PolarHBondContact O-CE1 2.82Å; E189-H241 HydrophobicContact CB-CB 4.45Å; F190-H241 AromaticContact CD1-CE1 4Å; F190-H241 AromaticContact CE1-CE1 3.99Å; F190-H241 PolarHBondContact N-ND1 2.81Å; F190-H241 VanDerWaalsContact N-ND1 3.12Å; F190-H241 WeakPolarHBondContact O-CA 3.49Å; F190-H241 PolarHBondContact O-ND1 3.49Å; H241-D243 PolarHBondContact O-N 3.1Å; H241-A244 WeakPolarHBondContact O-CB 3.41Å; H241-A244 PolarHBondContact O-N 2.63Å; H241-Q245 WeakPolarHBondContact O-CB 3.27Å; H241-Q245 PolarHBondContact O-N 3.4Å
242	E	89.2	Confident	90.3	Very high	101 Å²	101	47.9 Å²	47.9	47%	0.472	23%	0.232	S	C	.	.	H	α-helix	trans	-54.3	-38.2	178.9	-69.7	164.5	-142.4	0	0	112.6	R240 Q245 K246	R240-E242 IonicContact CZ-OE1 2.87Å; R240-E242 IonicContact CZ-OE2 2.84Å; R240-E242 VanDerWaalsContact CZ-OE2 3.31Å; R240-E242 VanDerWaalsContact NH1-CD 3.35Å; R240-E242 IonicContact NH1-OE1 2.78Å; R240-E242 IonicContact NH1-OE2 3.1Å; R240-E242 PolarHBondContact NH1-OE2 3.47Å; R240-E242 IonicContact NH2-OE1 2.61Å; R240-E242 PolarHBondContact NH2-OE1 2.79Å; R240-E242 IonicContact NH2-OE2 3.03Å; R240-E242 PolarHBondContact NH2-OE2 3.39Å; R240-E242 PolarHBondContact O-N 3.13Å; E242-Q245 PolarHBondContact O-N 2.67Å; E242-K246 VanDerWaalsContact O-CG 3.24Å; E242-K246 WeakPolarHBondContact O-CG 3.18Å; E242-K246 PolarHBondContact O-N 2.9Å
243	D	91.3	Very high	90.4	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.053	25%	0.245	C	C	.	.	H	α-helix	trans	-79.2	-36.7	-175	-56.3	-28.8	0	0	0	110.8	Y214 F238 R240 H241 Q245 K246 A247	Y214-D243 WeakPolarHBondContact O-CB 3.42Å; F238-D243 HydrophobicContact CD1-CB 4.04Å; F238-D243 HydrophobicContact CG-CB 4.4Å; R240-D243 WeakPolarHBondContact CB-OD2 3.41Å; R240-D243 IonicContact NH1-OD1 2.75Å; R240-D243 IonicContact NH1-OD2 2.77Å; R240-D243 PolarHBondContact O-N 2.71Å; H241-D243 PolarHBondContact O-N 3.1Å; D243-Q245 VanDerWaalsContact C-N 3.32Å; D243-Q245 PolarHBondContact O-N 2.71Å; D243-K246 IonicContact OD1-NZ 2.72Å; D243-K246 PolarHBondContact OD1-NZ 2.84Å; D243-A247 VanDerWaalsContact O-CB 3.3Å; D243-A247 WeakPolarHBondContact O-CB 3.21Å; D243-A247 PolarHBondContact O-N 3.38Å
244	A	89.5	Confident	90.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-36.4	166.9	0	0	0	0	0	113	F190 V193 F238 R240 H241 V248	F190-A244 HydrophobicContact CD2-CB 4.04Å; F190-A244 HydrophobicContact CE2-CB 3.96Å; F190-A244 VanDerWaalsContact O-CB 3.27Å; F190-A244 WeakPolarHBondContact O-CB 3.29Å; V193-A244 HydrophobicContact CG2-CB 3.72Å; F238-A244 HydrophobicContact CB-CB 4.14Å; F238-A244 VanDerWaalsContact CD2-CA 3.45Å; F238-A244 HydrophobicContact CD2-CB 3.64Å; F238-A244 HydrophobicContact CE2-CB 4.44Å; F238-A244 HydrophobicContact CG-CB 4.19Å; R240-A244 PolarHBondContact O-N 2.81Å; H241-A244 WeakPolarHBondContact O-CB 3.41Å; H241-A244 PolarHBondContact O-N 2.63Å; A244-V248 WeakPolarHBondContact O-CG2 3.02Å; A244-V248 PolarHBondContact O-N 3.16Å; A244-V248 VanDerWaalsContact O-N 3.08Å
245	Q	90.3	Very high	90	Very high	59 Å²	59	56.8 Å²	56.8	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-70.1	-48.5	177.6	-173.8	60.3	47.5	0	0	110.9	F190 H241 E242 D243 A247 V248 D249	F190-Q245 VanDerWaalsContact CE1-OE1 3.25Å; F190-Q245 VanDerWaalsContact CZ-OE1 3.27Å; H241-Q245 WeakPolarHBondContact O-CB 3.27Å; H241-Q245 PolarHBondContact O-N 3.4Å; E242-Q245 PolarHBondContact O-N 2.67Å; D243-Q245 VanDerWaalsContact C-N 3.32Å; D243-Q245 PolarHBondContact O-N 2.71Å; Q245-A247 VanDerWaalsContact C-N 3.27Å; Q245-A247 PolarHBondContact O-N 3.48Å; Q245-V248 PolarHBondContact O-N 2.94Å; Q245-D249 PolarHBondContact NE2-OD1 2.86Å; Q245-D249 PolarHBondContact NE2-OD2 3.32Å; Q245-D249 PolarHBondContact O-N 3.08Å
246	K	91.3	Very high	89.4	Confident	99 Å²	99	54.8 Å²	54.8	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-53.5	-44.5	171.9	-67.9	163.1	-157.6	162.9	0	111.8	Y214 E242 D243 V248 D249 D250	Y214-K246 HydrophobicContact CD1-CB 4.32Å; E242-K246 VanDerWaalsContact O-CG 3.24Å; E242-K246 WeakPolarHBondContact O-CG 3.18Å; E242-K246 PolarHBondContact O-N 2.9Å; D243-K246 IonicContact OD1-NZ 2.72Å; D243-K246 PolarHBondContact OD1-NZ 2.84Å; K246-V248 VanDerWaalsContact C-N 3.32Å; K246-V248 PolarHBondContact O-N 3.3Å; K246-D249 PolarHBondContact O-N 2.9Å; K246-D250 WeakPolarHBondContact O-CB 3.23Å; K246-D250 PolarHBondContact O-N 2.84Å
247	A	92.1	Very high	88.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-33.5	178.4	0	0	0	0	0	113.1	F211 Y214 F238 D243 Q245 M251	F211-A247 HydrophobicContact CD1-CB 3.97Å; F211-A247 HydrophobicContact CE1-CB 4.12Å; Y214-A247 HydrophobicContact CD2-CB 3.72Å; Y214-A247 HydrophobicContact CE2-CB 4.39Å; Y214-A247 HydrophobicContact CG-CB 3.82Å; F238-A247 HydrophobicContact CE2-CB 3.65Å; F238-A247 HydrophobicContact CZ-CB 3.65Å; D243-A247 VanDerWaalsContact O-CB 3.3Å; D243-A247 WeakPolarHBondContact O-CB 3.21Å; D243-A247 PolarHBondContact O-N 3.38Å; Q245-A247 VanDerWaalsContact C-N 3.27Å; Q245-A247 PolarHBondContact O-N 3.48Å; A247-M251 WeakPolarHBondContact O-CB 3.35Å; A247-M251 PolarHBondContact O-N 2.96Å
248	V	91.9	Very high	87.8	Confident	16 Å²	16	61.4 Å²	61.4	10%	0.097	32%	0.323	C	S	.	.	H	α-helix	trans	-70	-52.9	171.8	168.2	0	0	0	0	110.6	F190 V193 A244 Q245 K246 D250 N252 V263	F190-V248 HydrophobicContact CE2-CG2 3.78Å; F190-V248 HydrophobicContact CZ-CB 4.43Å; F190-V248 HydrophobicContact CZ-CG2 3.84Å; V193-V248 HydrophobicContact CG1-CG2 4.01Å; V193-V248 HydrophobicContact CG2-CG2 4.17Å; A244-V248 WeakPolarHBondContact O-CG2 3.02Å; A244-V248 PolarHBondContact O-N 3.16Å; A244-V248 VanDerWaalsContact O-N 3.08Å; Q245-V248 PolarHBondContact O-N 2.94Å; K246-V248 VanDerWaalsContact C-N 3.32Å; K246-V248 PolarHBondContact O-N 3.3Å; V248-D250 PolarHBondContact O-N 2.88Å; V248-N252 WeakPolarHBondContact O-CB 3.18Å; V248-N252 PolarHBondContact O-N 3.12Å; V248-V263 HydrophobicContact CG2-CG1 4.15Å
249	D	90.6	Very high	87.3	Confident	110 Å²	110	66.5 Å²	66.5	59%	0.588	34%	0.342	S	S	*	.	H	α-helix	trans	-68.4	-32.5	-171	-63.8	-30.2	0	0	0	112.8	Q245 K246	Q245-D249 PolarHBondContact NE2-OD1 2.86Å; Q245-D249 PolarHBondContact NE2-OD2 3.32Å; Q245-D249 PolarHBondContact O-N 3.08Å; K246-D249 PolarHBondContact O-N 2.9Å
250	D	91.9	Very high	87.3	Confident	69 Å²	69	66.4 Å²	66.4	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-90.7	-26.9	179.5	-176.2	65.6	0	0	0	114.5	Y214 K246 V248 K254	Y214-D250 HydrophobicContact CE1-CB 3.81Å; Y214-D250 WeakPolarHBondContact CE1-OD2 3.4Å; Y214-D250 PolarHBondContact OH-OD2 2.77Å; K246-D250 WeakPolarHBondContact O-CB 3.23Å; K246-D250 PolarHBondContact O-N 2.84Å; V248-D250 PolarHBondContact O-N 2.88Å; D250-K254 WeakPolarHBondContact O-CD 3.43Å; D250-K254 WeakPolarHBondContact O-CE 3.25Å; D250-K254 PolarHBondContact O-NZ 3.01Å; D250-K254 IonicContact OD1-NZ 2.68Å; D250-K254 PolarHBondContact OD1-NZ 2.92Å; D250-K254 IonicContact OD2-NZ 2.68Å; D250-K254 PolarHBondContact OD2-NZ 2.75Å
251	M	90.2	Very high	87.5	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.025	32%	0.323	C	S	.	.	H	α-helix	trans	-98.6	-20.6	179.1	-72.3	-61.1	-49.4	0	0	115	L210 F211 Y214 A247 G253 K254 L256 V263	L210-M251 HydrophobicContact CD2-CE 3.76Å; L210-M251 HydrophobicContact CD2-CG 4.48Å; L210-M251 HydrophobicContact CD2-SD 3.91Å; F211-M251 HydrophobicContact CE1-CB 4.19Å; F211-M251 HydrophobicContact CE1-CG 3.89Å; F211-M251 HydrophobicContact CZ-CB 4.01Å; F211-M251 HydrophobicContact CZ-CG 3.78Å; Y214-M251 HydrophobicContact CE2-CG 3.67Å; Y214-M251 HydrophobicContact CE2-SD 4.43Å; Y214-M251 WeakPolarHBondContact OH-CG 3.41Å; Y214-M251 PolarHBondContact OH-SD 3.11Å; A247-M251 WeakPolarHBondContact O-CB 3.35Å; A247-M251 PolarHBondContact O-N 2.96Å; M251-G253 PolarHBondContact O-N 2.81Å; M251-K254 HydrophobicContact CE-CB 4.18Å; M251-K254 HydrophobicContact CE-CD 4.47Å; M251-K254 PolarHBondContact O-N 3.35Å; M251-K254 HydrophobicContact SD-CD 4.07Å; M251-L256 HydrophobicContact CE-CD1 4.09Å; M251-L256 HydrophobicContact CE-CD2 4.43Å; M251-L256 HydrophobicContact CE-CG 4.33Å; M251-V263 HydrophobicContact CB-CB 4.31Å; M251-V263 HydrophobicContact CB-CG2 3.66Å
252	N	91.6	Very high	87.7	Confident	77 Å²	77	64.1 Å²	64.1	41%	0.412	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	115.5	-176.3	-177.1	47.5	0	0	0	111.7	V248 Y262 V263	V248-N252 WeakPolarHBondContact O-CB 3.18Å; V248-N252 PolarHBondContact O-N 3.12Å; N252-Y262 VanDerWaalsContact OD1-CD2 3.27Å; N252-Y262 WeakPolarHBondContact OD1-CD2 3.37Å; N252-V263 HydrophobicContact CB-CB 4Å; N252-V263 WeakPolarHBondContact CB-O 3.48Å; N252-V263 PolarHBondContact OD1-N 3.47Å; N252-V263 PolarHBondContact OD1-O 2.99Å
253	G	86.8	Confident	87.8	Confident	41 Å²	41	59.4 Å²	59.4	42%	0.423	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-6.7	-177.9	0	0	0	0	0	114.8	M251 V261	M251-G253 PolarHBondContact O-N 2.81Å; G253-V261 PolarHBondContact N-O 3.14Å
254	K	88.1	Confident	87.7	Confident	87 Å²	87	59.1 Å²	59.1	38%	0.378	31%	0.309	S	S	.	.			trans	-69.1	145.6	173.7	-76.5	-172	178.4	159.3	0	111.3	D250 M251 V261	D250-K254 WeakPolarHBondContact O-CD 3.43Å; D250-K254 WeakPolarHBondContact O-CE 3.25Å; D250-K254 PolarHBondContact O-NZ 3.01Å; D250-K254 IonicContact OD1-NZ 2.68Å; D250-K254 PolarHBondContact OD1-NZ 2.92Å; D250-K254 IonicContact OD2-NZ 2.68Å; D250-K254 PolarHBondContact OD2-NZ 2.75Å; M251-K254 HydrophobicContact CE-CB 4.18Å; M251-K254 HydrophobicContact CE-CD 4.47Å; M251-K254 PolarHBondContact O-N 3.35Å; M251-K254 HydrophobicContact SD-CD 4.07Å; K254-V261 PolarHBondContact O-N 2.84Å
255	E	86.1	Confident	87.7	Confident	123 Å²	123	63.3 Å²	63.3	58%	0.575	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.9	175.9	-69.3	-174.7	168.5	0	0	111.2	R259 Q260	E255-R259 WeakPolarHBondContact CA-O 3.43Å; E255-Q260 HydrophobicContact CG-CB 4.44Å; E255-Q260 HydrophobicContact CG-CG 3.46Å; E255-Q260 VanDerWaalsContact CG-CG 3.46Å; E255-Q260 WeakPolarHBondContact OE1-CG 3.32Å; E255-Q260 PolarHBondContact OE1-NE2 2.9Å
256	L	79.7	Confident	87.5	Confident	40 Å²	40	61.7 Å²	61.7	21%	0.209	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.7	164.9	-60.9	-175.7	0	0	0	107.8	L210 M251 G258 R259 V261	L210-L256 HydrophobicContact CD1-CD1 3.74Å; L210-L256 HydrophobicContact CD1-CD2 4.14Å; L210-L256 HydrophobicContact CD2-CD1 4.43Å; M251-L256 HydrophobicContact CE-CD1 4.09Å; M251-L256 HydrophobicContact CE-CD2 4.43Å; M251-L256 HydrophobicContact CE-CG 4.33Å; L256-G258 PolarHBondContact O-N 2.72Å; L256-G258 VanDerWaalsContact O-N 3.13Å; L256-R259 PolarHBondContact N-O 3.49Å; L256-R259 PolarHBondContact O-N 2.89Å; L256-R259 VanDerWaalsContact O-O 3.08Å; L256-V261 HydrophobicContact CB-CG2 3.81Å; L256-V261 HydrophobicContact CD1-CG2 3.88Å; L256-V261 HydrophobicContact CG-CG2 3.72Å
257	N	71.9	Confident	86.9	Confident	95 Å²	95	60 Å²	60	51%	0.508	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	38.7	179.7	-60.1	6.1	0	0	0	113.9	R259	N257-R259 VanDerWaalsContact C-N 3.3Å; N257-R259 PolarHBondContact O-N 3.46Å
258	G	76.6	Confident	86.2	Confident	71 Å²	71	67.9 Å²	67.9	73%	0.732	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	19.4	-177.8	0	0	0	0	0	114.9	L256	L256-G258 PolarHBondContact O-N 2.72Å; L256-G258 VanDerWaalsContact O-N 3.13Å
259	R	80.8	Confident	85.3	Confident	106 Å²	106	76 Å²	76	40%	0.4	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.1	178.7	-56	-175.6	-168.9	-170.7	6.5	110.6	N197 E255 L256 N257 V261	N197-R259 VanDerWaalsContact O-CB 3.26Å; N197-R259 WeakPolarHBondContact O-CB 3.3Å; E255-R259 WeakPolarHBondContact CA-O 3.43Å; L256-R259 PolarHBondContact N-O 3.49Å; L256-R259 PolarHBondContact O-N 2.89Å; L256-R259 VanDerWaalsContact O-O 3.08Å; N257-R259 VanDerWaalsContact C-N 3.3Å; N257-R259 PolarHBondContact O-N 3.46Å; R259-V261 PolarHBondContact O-N 2.8Å
260	Q	88.6	Confident	84.4	Confident	119 Å²	119	72.6 Å²	72.6	56%	0.556	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	118.1	174.6	-70.1	176.8	5.9	0	0	110.4	N197 E255	N197-Q260 WeakPolarHBondContact CB-O 3.35Å; N197-Q260 PolarHBondContact ND2-O 3.12Å; E255-Q260 HydrophobicContact CG-CB 4.44Å; E255-Q260 HydrophobicContact CG-CG 3.46Å; E255-Q260 VanDerWaalsContact CG-CG 3.46Å; E255-Q260 WeakPolarHBondContact OE1-CG 3.32Å; E255-Q260 PolarHBondContact OE1-NE2 2.9Å
261	V	91.6	Very high	83.6	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.012	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-82.9	126.1	-179.1	-173.8	0	0	0	0	109.4	I195 K196 F198 G253 K254 L256 R259 V263	I195-V261 HydrophobicContact CG2-CG1 3.71Å; K196-V261 CarbonylContact O-C 3.46Å; K196-V261 WeakPolarHBondContact O-CA 3.19Å; K196-V261 WeakPolarHBondContact O-CG1 3.43Å; F198-V261 HydrophobicContact CB-CG1 4.35Å; F198-V261 HydrophobicContact CB-CG2 4.07Å; G253-V261 PolarHBondContact N-O 3.14Å; K254-V261 PolarHBondContact O-N 2.84Å; L256-V261 HydrophobicContact CB-CG2 3.81Å; L256-V261 HydrophobicContact CD1-CG2 3.88Å; L256-V261 HydrophobicContact CG-CG2 3.72Å; R259-V261 PolarHBondContact O-N 2.8Å; V261-V263 HydrophobicContact CG1-CG2 3.81Å
262	Y	91.3	Very high	82.7	Confident	117 Å²	117	78.7 Å²	78.7	46%	0.459	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	127.9	169.7	174.2	-101.1	0	0	0	109.6	Y194 I195 K196 N252	Y194-Y262 HydrophobicContact CD1-CD1 4.19Å; Y194-Y262 HydrophobicContact CD1-CE1 4.03Å; Y194-Y262 HydrophobicContact CE1-CD1 4.14Å; Y194-Y262 HydrophobicContact CE1-CE1 4.24Å; I195-Y262 CarbonylContact C-O 3.56Å; I195-Y262 WeakPolarHBondContact CA-O 3.2Å; K196-Y262 HydrophobicContact CB-CD1 4.45Å; K196-Y262 PolarHBondContact N-O 3.2Å; K196-Y262 PolarHBondContact O-N 2.99Å; N252-Y262 VanDerWaalsContact OD1-CD2 3.27Å; N252-Y262 WeakPolarHBondContact OD1-CD2 3.37Å
263	V	91.8	Very high	81.6	Confident	1 Å²	1	81.2 Å²	81.2	1%	0.006	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134	177.5	-169.3	0	0	0	0	108.9	V193 Y194 I195 F211 V248 M251 N252 V261	V193-V263 HydrophobicContact CG1-CG1 3.34Å; Y194-V263 WeakPolarHBondContact O-CA 3.48Å; I195-V263 HydrophobicContact CG1-CG1 4.32Å; I195-V263 HydrophobicContact CG2-CG2 4.03Å; F211-V263 HydrophobicContact CE1-CG1 4.29Å; F211-V263 HydrophobicContact CZ-CG2 4.34Å; V248-V263 HydrophobicContact CG2-CG1 4.15Å; M251-V263 HydrophobicContact CB-CB 4.31Å; M251-V263 HydrophobicContact CB-CG2 3.66Å; N252-V263 HydrophobicContact CB-CB 4Å; N252-V263 WeakPolarHBondContact CB-O 3.48Å; N252-V263 PolarHBondContact OD1-N 3.47Å; N252-V263 PolarHBondContact OD1-O 2.99Å; V261-V263 HydrophobicContact CG1-CG2 3.81Å
264	G	89.6	Confident	81	Confident	4 Å²	4	84.6 Å²	84.6	4%	0.041	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	178.8	-177.1	0	0	0	0	0	112.9	V193 Y194 A266	V193-G264 CarbonylContact C-O 3.42Å; V193-G264 WeakPolarHBondContact CA-O 3.32Å; Y194-G264 PolarHBondContact N-O 2.73Å; Y194-G264 PolarHBondContact O-N 2.87Å; G264-A266 PolarHBondContact O-N 2.78Å
265	R	89	Confident	80.4	Confident	89 Å²	89	83.6 Å²	83.6	34%	0.336	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	132.5	177.5	-177.5	171.7	88.6	-171.9	14.7	111.9	A187 F190 Q267 E271	A187-R265 PolarHBondContact O-NH1 2.86Å; F190-R265 HydrophobicContact CB-CG 3.75Å; F190-R265 HydrophobicContact CD1-CB 3.95Å; F190-R265 HydrophobicContact CD1-CG 3.9Å; F190-R265 HydrophobicContact CD2-CB 4.21Å; F190-R265 HydrophobicContact CD2-CG 4.16Å; F190-R265 HydrophobicContact CE1-CB 4.21Å; F190-R265 HydrophobicContact CE2-CB 4.46Å; F190-R265 HydrophobicContact CG-CB 4Å; F190-R265 HydrophobicContact CG-CG 3.66Å; F190-R265 HydrophobicContact CZ-CB 4.47Å; R265-Q267 PolarHBondContact O-N 3.05Å; R265-E271 IonicContact CZ-OE1 2.67Å; R265-E271 IonicContact NE-OE1 3.99Å; R265-E271 IonicContact NH2-OE1 3.52Å; R265-E271 PolarHBondContact NH2-OE1 3.48Å
266	A	85.1	Confident	79.9	Confident	25 Å²	25	83.3 Å²	83.3	21%	0.207	41%	0.412	C	S	.	.			trans	-70.6	90.1	171.2	0	0	0	0	0	111.7	N192 F235 G264	N192-A266 HydrophobicContact CB-CB 3.83Å; N192-A266 WeakPolarHBondContact O-CB 3.45Å; N192-A266 PolarHBondContact O-N 2.92Å; F235-A266 HydrophobicContact CD1-CB 3.96Å; F235-A266 HydrophobicContact CE1-CB 4.23Å; G264-A266 PolarHBondContact O-N 2.78Å
267	Q	79.9	Confident	79.8	Confident	64 Å²	64	86.9 Å²	86.9	30%	0.299	43%	0.426	S	S	.	.			trans	-73.1	144.1	173.6	-63.8	-174.4	-16.8	0	0	112.2	R265 E271 R272 E275	R265-Q267 PolarHBondContact O-N 3.05Å; Q267-E271 WeakPolarHBondContact CA-OE2 3.47Å; Q267-R272 HydrophobicContact CB-CB 4.12Å; Q267-R272 VanDerWaalsContact OE1-CB 3.3Å; Q267-E275 PolarHBondContact NE2-OE2 2.97Å
268	K	77.4	Confident	80.1	Confident	165 Å²	165	91 Å²	91	72%	0.717	43%	0.434	S	S	*	.			trans	-71	147.9	171.7	-69.6	-178.9	178.6	177.8	0	110.7	G270 E271 R272	K268-G270 VanDerWaalsContact C-N 3.31Å; K268-G270 PolarHBondContact O-N 3.12Å; K268-G270 VanDerWaalsContact O-N 3.16Å; K268-E271 HydrophobicContact CB-CB 4.19Å; K268-E271 PolarHBondContact N-OE2 2.8Å; K268-E271 WeakPolarHBondContact O-CB 3.26Å; K268-E271 PolarHBondContact O-N 3.36Å; K268-R272 PolarHBondContact O-N 3.07Å
269	K	73.8	Confident	80.1	Confident	185 Å²	185	93.3 Å²	93.3	80%	0.804	42%	0.424	S	S	*	.	H	α-helix	trans	-51.4	-44.4	-175.5	-173	176.5	178.7	179.6	0	113.6	Q273	K269-Q273 WeakPolarHBondContact O-CB 3.43Å; K269-Q273 PolarHBondContact O-N 2.84Å
270	G	71.8	Confident	79.8	Confident	40 Å²	40	95.3 Å²	95.3	41%	0.412	44%	0.436	S	S	.	.	H	α-helix	trans	-74.1	-33.2	177.8	0	0	0	0	0	114.7	K268 Q273 N274	K268-G270 VanDerWaalsContact C-N 3.31Å; K268-G270 PolarHBondContact O-N 3.12Å; K268-G270 VanDerWaalsContact O-N 3.16Å; G270-Q273 PolarHBondContact O-N 2.93Å; G270-N274 WeakPolarHBondContact O-CB 3.43Å; G270-N274 PolarHBondContact O-N 2.95Å
271	E	73.4	Confident	79.3	Confident	70 Å²	70	94.3 Å²	94.3	33%	0.327	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-52.5	172.6	176.5	-162.4	171.1	0	0	109.8	R265 Q267 K268 Q273 N274 E275	R265-E271 IonicContact CZ-OE1 2.67Å; R265-E271 IonicContact NE-OE1 3.99Å; R265-E271 IonicContact NH2-OE1 3.52Å; R265-E271 PolarHBondContact NH2-OE1 3.48Å; Q267-E271 WeakPolarHBondContact CA-OE2 3.47Å; K268-E271 HydrophobicContact CB-CB 4.19Å; K268-E271 PolarHBondContact N-OE2 2.8Å; K268-E271 WeakPolarHBondContact O-CB 3.26Å; K268-E271 PolarHBondContact O-N 3.36Å; E271-Q273 VanDerWaalsContact C-N 3.32Å; E271-Q273 PolarHBondContact O-N 3.24Å; E271-N274 PolarHBondContact O-N 3.32Å; E271-N274 VanDerWaalsContact O-N 3.17Å; E271-E275 PolarHBondContact O-N 3.03Å
272	R	70.9	Confident	78.5	Confident	132 Å²	132	99.4 Å²	99.4	50%	0.498	46%	0.455	S	S	.	.	H	α-helix	trans	-57.7	-42.2	175.7	-176.8	174.3	174.8	176.8	0.5	112.3	Q267 K268 E275 L276	Q267-R272 HydrophobicContact CB-CB 4.12Å; Q267-R272 VanDerWaalsContact OE1-CB 3.3Å; K268-R272 PolarHBondContact O-N 3.07Å; R272-E275 PolarHBondContact O-N 3.1Å; R272-L276 VanDerWaalsContact O-CB 3.23Å; R272-L276 WeakPolarHBondContact O-CB 3.1Å; R272-L276 PolarHBondContact O-N 3.44Å
273	Q	70	Confident	77.8	Confident	130 Å²	130	99 Å²	99	61%	0.607	46%	0.458	S	S	*	.	H	α-helix	trans	-65.1	-39.3	178.1	-171.6	171.2	6.8	0	0	112	K269 G270 E271 K277	K269-Q273 WeakPolarHBondContact O-CB 3.43Å; K269-Q273 PolarHBondContact O-N 2.84Å; G270-Q273 PolarHBondContact O-N 2.93Å; E271-Q273 VanDerWaalsContact C-N 3.32Å; E271-Q273 PolarHBondContact O-N 3.24Å; Q273-K277 VanDerWaalsContact O-CB 3.26Å; Q273-K277 WeakPolarHBondContact O-CB 3.28Å; Q273-K277 PolarHBondContact O-N 3.2Å
274	N	72.9	Confident	77.1	Confident	111 Å²	111	103 Å²	103	59%	0.594	48%	0.476	S	S	*	.	H	α-helix	trans	-70.6	-39.6	175.7	-76.2	-13.4	0	0	0	112.6	G270 E271 K277 R278	G270-N274 WeakPolarHBondContact O-CB 3.43Å; G270-N274 PolarHBondContact O-N 2.95Å; E271-N274 PolarHBondContact O-N 3.32Å; E271-N274 VanDerWaalsContact O-N 3.17Å; N274-K277 PolarHBondContact O-N 2.91Å; N274-R278 WeakPolarHBondContact O-CB 3.37Å; N274-R278 PolarHBondContact O-N 2.85Å
275	E	75.9	Confident	76.3	Confident	67 Å²	67	107.2 Å²	107.2	31%	0.313	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-42.3	175.2	-160.6	-154.9	130.8	0	0	111.3	Q267 E271 R272 R278 K279	Q267-E275 PolarHBondContact NE2-OE2 2.97Å; E271-E275 PolarHBondContact O-N 3.03Å; R272-E275 PolarHBondContact O-N 3.1Å; E275-R278 PolarHBondContact O-N 3.44Å; E275-K279 WeakPolarHBondContact O-CB 3.3Å; E275-K279 PolarHBondContact O-N 2.95Å; E275-K279 WeakPolarHBondContact OE1-CE 3.4Å; E275-K279 IonicContact OE1-NZ 3.21Å; E275-K279 PolarHBondContact OE1-NZ 2.88Å
276	L	75.1	Confident	75.7	Confident	116 Å²	116	107.3 Å²	107.3	61%	0.607	50%	0.501	S	S	*	.	H	α-helix	trans	-66.4	-39.4	177.1	-159.5	73.2	0	0	0	111.5	R272 K279 F280	R272-L276 VanDerWaalsContact O-CB 3.23Å; R272-L276 WeakPolarHBondContact O-CB 3.1Å; R272-L276 PolarHBondContact O-N 3.44Å; L276-K279 PolarHBondContact O-N 3.36Å; L276-F280 WeakPolarHBondContact O-CB 3.47Å; L276-F280 PolarHBondContact O-N 3.01Å
277	K	78.4	Confident	75.2	Confident	115 Å²	115	113.6 Å²	113.6	50%	0.5	52%	0.52	S	S	.	.	H	α-helix	trans	-59.7	-48	170.9	-175.5	177.5	-173.9	-81.6	0	111	Q273 N274 K279 F280 E281	Q273-K277 VanDerWaalsContact O-CB 3.26Å; Q273-K277 WeakPolarHBondContact O-CB 3.28Å; Q273-K277 PolarHBondContact O-N 3.2Å; N274-K277 PolarHBondContact O-N 2.91Å; K277-K279 PolarHBondContact O-N 3.45Å; K277-F280 PolarHBondContact O-N 2.82Å; K277-E281 WeakPolarHBondContact CE-OE1 3.4Å; K277-E281 HydrophobicContact CG-CG 4.45Å; K277-E281 IonicContact NZ-OE1 2.7Å; K277-E281 PolarHBondContact NZ-OE1 3.2Å; K277-E281 IonicContact NZ-OE2 2.71Å; K277-E281 WeakPolarHBondContact O-CB 3.49Å; K277-E281 WeakPolarHBondContact O-CG 3.36Å; K277-E281 PolarHBondContact O-N 2.87Å
278	R	78.4	Confident	74.7	Confident	181 Å²	181	113.7 Å²	113.7	68%	0.683	52%	0.521	S	S	*	.	H	α-helix	trans	-62.2	-42.3	177.7	-175.5	-180	175.9	-167.5	-1.5	112.3	N274 E275 F280 E281 Q282	N274-R278 WeakPolarHBondContact O-CB 3.37Å; N274-R278 PolarHBondContact O-N 2.85Å; E275-R278 PolarHBondContact O-N 3.44Å; R278-F280 VanDerWaalsContact C-N 3.35Å; R278-E281 PolarHBondContact O-N 2.61Å; R278-Q282 VanDerWaalsContact O-CB 3.28Å; R278-Q282 WeakPolarHBondContact O-CB 3.26Å; R278-Q282 PolarHBondContact O-N 3.41Å
279	K	77.1	Confident	74.7	Confident	120 Å²	120	109.7 Å²	109.7	52%	0.522	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-37.1	174.7	-82.1	174.5	166.2	167.6	0	112.2	E275 L276 K277 M283	E275-K279 WeakPolarHBondContact O-CB 3.3Å; E275-K279 PolarHBondContact O-N 2.95Å; E275-K279 WeakPolarHBondContact OE1-CE 3.4Å; E275-K279 IonicContact OE1-NZ 3.21Å; E275-K279 PolarHBondContact OE1-NZ 2.88Å; L276-K279 PolarHBondContact O-N 3.36Å; K277-K279 PolarHBondContact O-N 3.45Å; K279-M283 WeakPolarHBondContact O-CB 3.47Å; K279-M283 PolarHBondContact O-N 3.2Å
280	F	74	Confident	74.7	Confident	149 Å²	149	110 Å²	110	65%	0.654	51%	0.507	S	S	*	.	H	α-helix	trans	-72.3	-39.6	175.4	-169.7	-94.5	0	0	0	112.6	L276 K277 R278 M283 K284	L276-F280 WeakPolarHBondContact O-CB 3.47Å; L276-F280 PolarHBondContact O-N 3.01Å; K277-F280 PolarHBondContact O-N 2.82Å; R278-F280 VanDerWaalsContact C-N 3.35Å; F280-M283 PolarHBondContact O-N 3.06Å; F280-K284 WeakPolarHBondContact O-CB 3.35Å; F280-K284 PolarHBondContact O-N 3.12Å
281	E	77.3	Confident	74.8	Confident	98 Å²	98	113.2 Å²	113.2	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-43.5	172.7	-75.4	171.1	164.2	0	0	111.1	K277 R278 K284 Q285	K277-E281 WeakPolarHBondContact CE-OE1 3.4Å; K277-E281 HydrophobicContact CG-CG 4.45Å; K277-E281 IonicContact NZ-OE1 2.7Å; K277-E281 PolarHBondContact NZ-OE1 3.2Å; K277-E281 IonicContact NZ-OE2 2.71Å; K277-E281 WeakPolarHBondContact O-CB 3.49Å; K277-E281 WeakPolarHBondContact O-CG 3.36Å; K277-E281 PolarHBondContact O-N 2.87Å; R278-E281 PolarHBondContact O-N 2.61Å; E281-K284 PolarHBondContact O-N 2.78Å; E281-Q285 WeakPolarHBondContact O-CB 3.45Å; E281-Q285 PolarHBondContact O-N 2.7Å
282	Q	76.1	Confident	75.1	Confident	108 Å²	108	116.3 Å²	116.3	51%	0.505	52%	0.522	S	S	.	.	H	α-helix	trans	-60.3	-48	172.4	-174.6	170.6	1	0	0	111	R278 K284 Q285 D286	R278-Q282 VanDerWaalsContact O-CB 3.28Å; R278-Q282 WeakPolarHBondContact O-CB 3.26Å; R278-Q282 PolarHBondContact O-N 3.41Å; Q282-K284 VanDerWaalsContact C-N 3.32Å; Q282-K284 PolarHBondContact O-N 2.86Å; Q282-Q285 CarbonylContact O-C 3.59Å; Q282-Q285 WeakPolarHBondContact O-CA 3.47Å; Q282-Q285 WeakPolarHBondContact O-CB 3.38Å; Q282-Q285 PolarHBondContact O-N 3.14Å; Q282-D286 VanDerWaalsContact O-CG 3.22Å; Q282-D286 PolarHBondContact O-N 3.35Å
283	M	75.2	Confident	75.5	Confident	108 Å²	108	111.3 Å²	111.3	53%	0.532	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-32.6	176.1	-166.7	-175	-65.4	0	0	113	K279 F280 Q285 R287	K279-M283 WeakPolarHBondContact O-CB 3.47Å; K279-M283 PolarHBondContact O-N 3.2Å; F280-M283 PolarHBondContact O-N 3.06Å; M283-Q285 VanDerWaalsContact C-N 3.33Å; M283-R287 VanDerWaalsContact O-CB 3.27Å; M283-R287 WeakPolarHBondContact O-CB 3.22Å; M283-R287 VanDerWaalsContact O-CG 3.26Å; M283-R287 WeakPolarHBondContact O-CG 3.15Å; M283-R287 PolarHBondContact O-N 3.27Å; M283-R287 VanDerWaalsContact O-N 3.12Å
284	K	78.5	Confident	76.4	Confident	85 Å²	85	105.8 Å²	105.8	37%	0.37	49%	0.486	S	S	.	.	H	α-helix	trans	-67	-35.6	171.1	-173.6	175.8	179.1	177.8	0	110.8	F280 E281 Q282 R287 M288 E372	F280-K284 WeakPolarHBondContact O-CB 3.35Å; F280-K284 PolarHBondContact O-N 3.12Å; E281-K284 PolarHBondContact O-N 2.78Å; Q282-K284 VanDerWaalsContact C-N 3.32Å; Q282-K284 PolarHBondContact O-N 2.86Å; K284-R287 CarbonylContact O-C 3.57Å; K284-M288 WeakPolarHBondContact O-CB 3.38Å; K284-M288 PolarHBondContact O-N 2.84Å; K284-E372 IonicContact NZ-OE1 3.05Å; K284-E372 IonicContact NZ-OE2 3.61Å; K284-E372 PolarHBondContact NZ-OE2 3Å
285	Q	71.8	Confident	77.3	Confident	94 Å²	94	102.2 Å²	102.2	44%	0.439	47%	0.467	S	S	.	.	H	α-helix	trans	-75.8	-43.4	178.9	-168.8	61	31	0	0	112.6	E281 Q282 M283 R287 M288 T289	E281-Q285 WeakPolarHBondContact O-CB 3.45Å; E281-Q285 PolarHBondContact O-N 2.7Å; Q282-Q285 CarbonylContact O-C 3.59Å; Q282-Q285 WeakPolarHBondContact O-CA 3.47Å; Q282-Q285 WeakPolarHBondContact O-CB 3.38Å; Q282-Q285 PolarHBondContact O-N 3.14Å; M283-Q285 VanDerWaalsContact C-N 3.33Å; Q285-R287 VanDerWaalsContact C-N 3.29Å; Q285-R287 PolarHBondContact O-N 2.99Å; Q285-M288 CarbonylContact O-C 3.57Å; Q285-M288 VanDerWaalsContact O-CA 3.31Å; Q285-M288 WeakPolarHBondContact O-CA 3.18Å; Q285-M288 VanDerWaalsContact O-CB 3.24Å; Q285-M288 WeakPolarHBondContact O-CB 3.26Å; Q285-M288 PolarHBondContact O-N 2.92Å; Q285-T289 PolarHBondContact O-N 2.84Å; Q285-T289 PolarHBondContact O-OG1 3.26Å
286	D	77.6	Confident	78	Confident	90 Å²	90	99 Å²	99	48%	0.481	45%	0.452	S	S	.	.	H	α-helix	trans	-61.3	-41.5	174.3	-61.5	-23	0	0	0	110.1	Q282 M288 R290	Q282-D286 VanDerWaalsContact O-CG 3.22Å; Q282-D286 PolarHBondContact O-N 3.35Å; D286-M288 PolarHBondContact O-N 2.93Å; D286-R290 WeakPolarHBondContact O-CB 3.45Å; D286-R290 PolarHBondContact O-N 3.03Å
287	R	73.8	Confident	78.9	Confident	157 Å²	157	95.7 Å²	95.7	59%	0.592	43%	0.432	S	S	*	.	H	α-helix	trans	-70.9	-10.5	168.8	-71.7	179.1	177.3	-122.1	4.4	113.8	M283 K284 Q285 Y291 R370	M283-R287 VanDerWaalsContact O-CB 3.27Å; M283-R287 WeakPolarHBondContact O-CB 3.22Å; M283-R287 VanDerWaalsContact O-CG 3.26Å; M283-R287 WeakPolarHBondContact O-CG 3.15Å; M283-R287 PolarHBondContact O-N 3.27Å; M283-R287 VanDerWaalsContact O-N 3.12Å; K284-R287 CarbonylContact O-C 3.57Å; Q285-R287 VanDerWaalsContact C-N 3.29Å; Q285-R287 PolarHBondContact O-N 2.99Å; R287-Y291 WeakPolarHBondContact O-CD2 3.27Å; R287-R370 PolarHBondContact O-NH2 2.7Å
288	M	69.6	Low	79.6	Confident	67 Å²	67	90.2 Å²	90.2	33%	0.33	41%	0.408	S	S	.	.	H	α-helix	trans	-84.9	-58.1	171.2	-168.5	177.6	-65.6	0	0	109	K284 Q285 D286 R290 Y291 Q292	K284-M288 WeakPolarHBondContact O-CB 3.38Å; K284-M288 PolarHBondContact O-N 2.84Å; Q285-M288 CarbonylContact O-C 3.57Å; Q285-M288 VanDerWaalsContact O-CA 3.31Å; Q285-M288 WeakPolarHBondContact O-CA 3.18Å; Q285-M288 VanDerWaalsContact O-CB 3.24Å; Q285-M288 WeakPolarHBondContact O-CB 3.26Å; Q285-M288 PolarHBondContact O-N 2.92Å; D286-M288 PolarHBondContact O-N 2.93Å; M288-R290 PolarHBondContact O-N 3.47Å; M288-Y291 PolarHBondContact O-N 3.23Å; M288-Q292 PolarHBondContact O-N 2.84Å
289	T	76.1	Confident	80.2	Confident	81 Å²	81	86 Å²	86	50%	0.497	39%	0.394	S	S	.	.	H	α-helix	trans	-57.5	-46.3	179.5	-50.1	0	0	0	0	112.1	Q285 Y291 Q292	Q285-T289 PolarHBondContact O-N 2.84Å; Q285-T289 PolarHBondContact O-OG1 3.26Å; T289-Y291 PolarHBondContact O-N 3.07Å; T289-Y291 VanDerWaalsContact O-N 3.11Å; T289-Q292 WeakPolarHBondContact O-CB 3.46Å; T289-Q292 PolarHBondContact O-N 3.23Å; T289-Q292 VanDerWaalsContact O-N 3.14Å
290	R	74.8	Confident	80.8	Confident	190 Å²	190	83 Å²	83	72%	0.717	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.4	-179.6	179	174.9	-72.1	-176.3	-2.2	114.2	D286 M288 V294	D286-R290 WeakPolarHBondContact O-CB 3.45Å; D286-R290 PolarHBondContact O-N 3.03Å; M288-R290 PolarHBondContact O-N 3.47Å; R290-V294 VanDerWaalsContact O-CG2 3.32Å; R290-V294 WeakPolarHBondContact O-CG2 3.38Å
291	Y	74.8	Confident	81.6	Confident	108 Å²	108	76 Å²	76	42%	0.424	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	8.9	-179	-64.5	-57.6	0	0	0	113.4	R287 M288 T289 V294	R287-Y291 WeakPolarHBondContact O-CD2 3.27Å; M288-Y291 PolarHBondContact O-N 3.23Å; T289-Y291 PolarHBondContact O-N 3.07Å; T289-Y291 VanDerWaalsContact O-N 3.11Å; Y291-V294 HydrophobicContact CD1-CG2 4.34Å
292	Q	77.9	Confident	82.1	Confident	136 Å²	136	73.1 Å²	73.1	64%	0.636	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	128.6	176.7	-168.7	169.9	3.1	0	0	109.7	M288 T289 V294	M288-Q292 PolarHBondContact O-N 2.84Å; T289-Q292 WeakPolarHBondContact O-CB 3.46Å; T289-Q292 PolarHBondContact O-N 3.23Å; T289-Q292 VanDerWaalsContact O-N 3.14Å; Q292-V294 PolarHBondContact O-N 2.68Å
293	G	80.3	Confident	82.5	Confident	26 Å²	26	73.2 Å²	73.2	27%	0.268	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	-28.8	-179.2	0	0	0	0	0	116	A346 L367	G293-A346 VanDerWaalsContact O-CB 3.3Å; G293-A346 WeakPolarHBondContact O-CB 3.46Å; G293-L367 WeakPolarHBondContact O-CD2 3.36Å
294	V	88.6	Confident	82.9	Confident	14 Å²	14	69.7 Å²	69.7	9%	0.085	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-20.9	-175.8	-60.2	0	0	0	0	115.3	R290 Y291 Q292 C339 F340 P343	R290-V294 VanDerWaalsContact O-CG2 3.32Å; R290-V294 WeakPolarHBondContact O-CG2 3.38Å; Y291-V294 HydrophobicContact CD1-CG2 4.34Å; Q292-V294 PolarHBondContact O-N 2.68Å; V294-C339 WeakPolarHBondContact O-CA 3.41Å; V294-F340 PolarHBondContact O-N 2.82Å; V294-P343 HydrophobicContact CG1-CB 4.32Å
295	N	91.5	Very high	83.3	Confident	37 Å²	37	66.2 Å²	66.2	20%	0.198	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.5	-175.3	-172.6	41	0	0	0	111.6	C339 A368	N295-C339 HydrophobicContact CB-CB 4.37Å; N295-A368 HydrophobicContact CB-CB 4.24Å; N295-A368 VanDerWaalsContact ND2-CB 3.34Å; N295-A368 WeakPolarHBondContact ND2-CB 3.27Å; N295-A368 VanDerWaalsContact O-CB 3.23Å; N295-A368 WeakPolarHBondContact O-CB 3.37Å; N295-A368 PolarHBondContact O-N 2.97Å
296	L	91.8	Very high	84.2	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.5	179.8	-55.2	-169.4	0	0	0	111.7	F314 F337 V338 F340 A346 A349 V350 V365 A366 L367	L296-F314 HydrophobicContact CD1-CE1 4.43Å; L296-F337 WeakPolarHBondContact O-CA 3.35Å; L296-F337 WeakPolarHBondContact O-CD1 3.38Å; L296-V338 WeakPolarHBondContact CB-O 3.38Å; L296-V338 PolarHBondContact N-O 2.76Å; L296-V338 PolarHBondContact O-N 3.07Å; L296-F340 HydrophobicContact CD1-CD2 4.2Å; L296-F340 HydrophobicContact CD1-CE2 3.74Å; L296-F340 HydrophobicContact CG-CD2 4.38Å; L296-F340 HydrophobicContact CG-CE2 4.34Å; L296-A346 HydrophobicContact CD2-CB 3.92Å; L296-A346 HydrophobicContact CG-CB 4.33Å; L296-A349 HydrophobicContact CD1-CB 3.81Å; L296-V350 HydrophobicContact CD1-CG2 3.97Å; L296-V350 HydrophobicContact CD2-CG2 3.43Å; L296-V350 VanDerWaalsContact CD2-CG2 3.43Å; L296-V350 HydrophobicContact CG-CG2 4.32Å; L296-V365 HydrophobicContact CB-CG1 4.4Å; L296-V365 HydrophobicContact CD1-CG1 3.8Å; L296-A366 CarbonylContact C-O 3.5Å; L296-A366 WeakPolarHBondContact CA-O 3.5Å; L296-L367 HydrophobicContact CD2-CD2 3.76Å
297	Y	92.8	Very high	84.9	Confident	45 Å²	45	64 Å²	64	18%	0.176	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.7	167.2	173.4	-105.8	0	0	0	108.1	K299 F335 F337 Y364 A366	Y297-K299 HydrophobicContact CD1-CB 4.43Å; Y297-K299 HydrophobicContact CE1-CB 3.7Å; Y297-K299 HydrophobicContact CE1-CD 4.38Å; Y297-K299 HydrophobicContact CE1-CG 4.12Å; Y297-K299 WeakPolarHBondContact OH-CG 3.32Å; Y297-F335 HydrophobicContact CD2-CD2 4.2Å; Y297-F335 HydrophobicContact CE2-CB 4.02Å; Y297-F335 AromaticContact CE2-CD2 3.44Å; Y297-F335 HydrophobicContact CE2-CD2 3.44Å; Y297-F335 VanDerWaalsContact CE2-CD2 3.44Å; Y297-F335 AromaticContact CE2-CE2 4Å; Y297-F335 HydrophobicContact CE2-CE2 4Å; Y297-F335 AromaticContact CE2-CG 3.86Å; Y297-F335 HydrophobicContact CE2-CG 3.86Å; Y297-F337 HydrophobicContact CD2-CD1 4.34Å; Y297-F337 AromaticContact CD2-CE1 3.71Å; Y297-F337 HydrophobicContact CD2-CE1 3.71Å; Y297-F337 AromaticContact CD2-CZ 3.99Å; Y297-F337 HydrophobicContact CD2-CZ 3.99Å; Y297-F337 HydrophobicContact CG-CE1 4.48Å; Y297-Y364 HydrophobicContact CD1-CD1 4.4Å; Y297-Y364 HydrophobicContact CD1-CE1 4.24Å; Y297-Y364 HydrophobicContact CE1-CD1 4.37Å; Y297-Y364 HydrophobicContact CE1-CE1 4.35Å; Y297-A366 PolarHBondContact N-O 3.48Å; Y297-A366 PolarHBondContact O-N 2.78Å; Y297-A366 VanDerWaalsContact O-N 3.1Å
298	V	93.2	Very high	85.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.2	178.6	-173.1	0	0	0	0	108.1	L301 L310 F314 F335 G336 V338 L363 Y364 V365	V298-L301 HydrophobicContact CB-CD2 4.37Å; V298-L301 HydrophobicContact CG1-CD2 3.55Å; V298-L301 HydrophobicContact CG1-CG 4.34Å; V298-L310 HydrophobicContact CB-CD1 4.47Å; V298-L310 HydrophobicContact CG1-CD1 4.26Å; V298-L310 HydrophobicContact CG2-CD1 4.46Å; V298-F314 HydrophobicContact CB-CZ 4.45Å; V298-F314 HydrophobicContact CG1-CE2 4.2Å; V298-F314 HydrophobicContact CG1-CZ 3.95Å; V298-F314 HydrophobicContact CG2-CE1 3.97Å; V298-F314 HydrophobicContact CG2-CE2 4.16Å; V298-F314 HydrophobicContact CG2-CZ 3.58Å; V298-F335 CarbonylContact O-C 3.59Å; V298-F335 WeakPolarHBondContact O-CA 3.19Å; V298-F335 VanDerWaalsContact O-CB 3.3Å; V298-F335 WeakPolarHBondContact O-CB 3.21Å; V298-G336 PolarHBondContact N-O 3.13Å; V298-G336 PolarHBondContact O-N 2.97Å; V298-V338 HydrophobicContact CG2-CG2 3.99Å; V298-L363 HydrophobicContact CG1-CD1 4.21Å; V298-L363 HydrophobicContact CG1-CD2 4.42Å; V298-Y364 CarbonylContact C-O 3.58Å; V298-Y364 WeakPolarHBondContact CA-O 3.38Å; V298-V365 HydrophobicContact CG1-CG2 4.24Å; V298-V365 HydrophobicContact CG2-CG1 4.4Å; V298-V365 HydrophobicContact CG2-CG2 4.43Å
299	K	92.2	Very high	86.7	Confident	92 Å²	92	68.7 Å²	68.7	40%	0.4	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	165.2	-178.1	-160.6	-147.8	170.2	-145	0	110.3	Y297 G334 F335 Y364	Y297-K299 HydrophobicContact CD1-CB 4.43Å; Y297-K299 HydrophobicContact CE1-CB 3.7Å; Y297-K299 HydrophobicContact CE1-CD 4.38Å; Y297-K299 HydrophobicContact CE1-CG 4.12Å; Y297-K299 WeakPolarHBondContact OH-CG 3.32Å; K299-G334 CarbonylContact C-O 3.5Å; K299-F335 HydrophobicContact CB-CB 4.19Å; K299-F335 HydrophobicContact CG-CB 3.95Å; K299-Y364 HydrophobicContact CB-CD1 4.05Å; K299-Y364 PolarHBondContact N-O 3.43Å; K299-Y364 PolarHBondContact O-N 3.34Å
300	N	90	Very high	87.4	Confident	59 Å²	59	64.9 Å²	64.9	32%	0.316	31%	0.311	S	S	.	.	S	Bend	trans	63.6	30.3	-170.5	-48.8	-12.1	0	0	0	112.1	G334 K361 P362	N300-G334 PolarHBondContact N-O 3.11Å; N300-K361 WeakPolarHBondContact O-CB 3.34Å; N300-P362 VanDerWaalsContact CB-O 3.26Å; N300-P362 WeakPolarHBondContact CB-O 3.32Å; N300-P362 PolarHBondContact ND2-O 3.04Å
301	L	90.2	Very high	88.3	Confident	2 Å²	2	62 Å²	62	1%	0.01	30%	0.3	C	S	.	.			trans	-57.8	145.3	167	-61.2	179.5	0	0	0	109.3	V298 L305 L310 V325 G334 F335 L363	V298-L301 HydrophobicContact CB-CD2 4.37Å; V298-L301 HydrophobicContact CG1-CD2 3.55Å; V298-L301 HydrophobicContact CG1-CG 4.34Å; L301-L305 HydrophobicContact CD2-CD1 4.04Å; L301-L305 HydrophobicContact CD2-CD2 4.14Å; L301-L310 HydrophobicContact CD1-CD2 4.44Å; L301-L310 HydrophobicContact CD2-CD1 3.85Å; L301-V325 HydrophobicContact CD1-CB 4.44Å; L301-V325 HydrophobicContact CD1-CG1 3.97Å; L301-V325 HydrophobicContact CD1-CG2 3.88Å; L301-G334 PolarHBondContact N-O 3.36Å; L301-F335 VanDerWaalsContact CD1-C 3.48Å; L301-L363 HydrophobicContact CD2-CD2 3.93Å
302	D	88.2	Confident	89.2	Confident	36 Å²	36	64.2 Å²	64.2	19%	0.193	31%	0.312	C	S	.	.			trans	-73.9	158	170.4	-167.6	-115.4	0	0	0	111.8	G304 L305 A359 T360 K361	D302-G304 PolarHBondContact O-N 2.89Å; D302-L305 HydrophobicContact CB-CB 4.39Å; D302-L305 WeakPolarHBondContact O-CB 3.49Å; D302-L305 PolarHBondContact O-N 2.93Å; D302-A359 HydrophobicContact CB-CB 4.17Å; D302-T360 PolarHBondContact OD2-OG1 3.03Å; D302-K361 HydrophobicContact CB-CD 4.17Å; D302-K361 WeakPolarHBondContact OD2-CE 3.49Å; D302-K361 IonicContact OD2-NZ 2.64Å; D302-K361 PolarHBondContact OD2-NZ 3.46Å
303	D	84.4	Confident	89.8	Confident	110 Å²	110	60.9 Å²	60.9	59%	0.588	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-24.6	-170.8	-64.6	41.9	0	0	0	111.4	K361	D303-K361 IonicContact OD1-NZ 2.67Å; D303-K361 PolarHBondContact OD1-NZ 2.97Å
304	G	83.1	Confident	90.5	Very high	35 Å²	35	59.6 Å²	59.6	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	33.5	171.5	0	0	0	0	0	114.5	D302 R309	D302-G304 PolarHBondContact O-N 2.89Å; G304-R309 PolarHBondContact O-NH1 3.13Å
305	L	87.6	Confident	90.7	Very high	12 Å²	12	62 Å²	62	6%	0.063	30%	0.301	C	S	.	.			trans	-115.4	95.1	178.4	-162.3	169.9	0	0	0	110.1	L301 D302 R309 L310 V325 V358	L301-L305 HydrophobicContact CD2-CD1 4.04Å; L301-L305 HydrophobicContact CD2-CD2 4.14Å; D302-L305 HydrophobicContact CB-CB 4.39Å; D302-L305 WeakPolarHBondContact O-CB 3.49Å; D302-L305 PolarHBondContact O-N 2.93Å; L305-R309 HydrophobicContact CD2-CB 4.12Å; L305-R309 HydrophobicContact CG-CB 4.25Å; L305-L310 HydrophobicContact CD2-CB 3.73Å; L305-L310 HydrophobicContact CD2-CD1 4.35Å; L305-V325 WeakPolarHBondContact O-CG2 3.45Å; L305-V358 HydrophobicContact CD1-CG1 3.84Å
306	D	89.6	Confident	90.9	Very high	87 Å²	87	64.5 Å²	64.5	47%	0.465	32%	0.32	S	S	.	.			trans	-84.8	170.9	-178.3	-50.5	-74.4	0	0	0	114.2	E308 R309 L310	D306-E308 VanDerWaalsContact C-N 3.26Å; D306-E308 PolarHBondContact O-N 2.94Å; D306-E308 VanDerWaalsContact O-N 3.15Å; D306-R309 PolarHBondContact O-N 2.95Å; D306-L310 PolarHBondContact O-N 3.34Å
307	D	92.1	Very high	90.8	Very high	50 Å²	50	65.4 Å²	65.4	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-47.6	-42.4	179.1	-70.3	15.1	0	0	0	113.3	R311 V325	D307-R311 WeakPolarHBondContact O-CB 3.39Å; D307-R311 PolarHBondContact O-N 3.39Å; D307-V325 VanDerWaalsContact OD1-CB 3.29Å; D307-V325 WeakPolarHBondContact OD1-CB 3.47Å; D307-V325 WeakPolarHBondContact OD1-CG2 3.33Å; D307-V325 PolarHBondContact OD1-N 3.07Å
308	E	91.1	Very high	90.8	Very high	167 Å²	167	64.2 Å²	64.2	78%	0.78	33%	0.325	S	S	*	.	H	α-helix	trans	-69.4	-40.6	178.9	-63.2	-169.3	165.7	0	0	113	D306 R311 K312	D306-E308 VanDerWaalsContact C-N 3.26Å; D306-E308 PolarHBondContact O-N 2.94Å; D306-E308 VanDerWaalsContact O-N 3.15Å; E308-R311 PolarHBondContact O-N 3.46Å; E308-K312 WeakPolarHBondContact O-CB 3.37Å; E308-K312 PolarHBondContact O-N 3.3Å
309	R	89.8	Confident	90.8	Very high	156 Å²	156	68.9 Å²	68.9	59%	0.589	35%	0.353	S	S	*	.	H	α-helix	trans	-66.4	-43.8	176.1	-72.1	-179.9	168.5	-167	-6.6	110.3	G304 L305 D306 R311 K312 E313	G304-R309 PolarHBondContact O-NH1 3.13Å; L305-R309 HydrophobicContact CD2-CB 4.12Å; L305-R309 HydrophobicContact CG-CB 4.25Å; D306-R309 PolarHBondContact O-N 2.95Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 2.83Å; R309-K312 PolarHBondContact O-N 2.92Å; R309-E313 WeakPolarHBondContact O-CG 3.35Å; R309-E313 PolarHBondContact O-N 3.49Å
310	L	91.8	Very high	90.8	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-58.5	-43.5	173.5	-175.3	61.5	0	0	0	111.3	V298 L301 L305 D306 F314 A323 V325 V338	V298-L310 HydrophobicContact CB-CD1 4.47Å; V298-L310 HydrophobicContact CG1-CD1 4.26Å; V298-L310 HydrophobicContact CG2-CD1 4.46Å; L301-L310 HydrophobicContact CD1-CD2 4.44Å; L301-L310 HydrophobicContact CD2-CD1 3.85Å; L305-L310 HydrophobicContact CD2-CB 3.73Å; L305-L310 HydrophobicContact CD2-CD1 4.35Å; D306-L310 PolarHBondContact O-N 3.34Å; L310-F314 HydrophobicContact CD1-CD2 3.76Å; L310-F314 HydrophobicContact CD1-CE2 3.64Å; L310-F314 WeakPolarHBondContact O-CD2 3.34Å; L310-F314 PolarHBondContact O-N 2.85Å; L310-A323 HydrophobicContact CD2-CB 4.46Å; L310-A323 HydrophobicContact CG-CB 4.45Å; L310-V325 HydrophobicContact CB-CG2 4.39Å; L310-V325 HydrophobicContact CD2-CG2 3.91Å; L310-V338 HydrophobicContact CD1-CG2 3.99Å; L310-V338 HydrophobicContact CD2-CG2 3.81Å; L310-V338 HydrophobicContact CG-CG2 3.71Å
311	R	94.1	Very high	90.9	Very high	128 Å²	128	66 Å²	66	48%	0.483	35%	0.346	S	S	.	.	H	α-helix	trans	-65.2	-41.1	176.7	-164.5	169.1	-169.5	-93	-3.1	112.1	D307 E308 R309 S315 I320 A323	D307-R311 WeakPolarHBondContact O-CB 3.39Å; D307-R311 PolarHBondContact O-N 3.39Å; E308-R311 PolarHBondContact O-N 3.46Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 2.83Å; R311-S315 VanDerWaalsContact O-CB 3.32Å; R311-S315 WeakPolarHBondContact O-CB 3.41Å; R311-S315 PolarHBondContact O-N 2.66Å; R311-I320 HydrophobicContact CB-CD1 4.5Å; R311-I320 HydrophobicContact CG-CB 4.22Å; R311-I320 HydrophobicContact CG-CD1 3.85Å; R311-I320 HydrophobicContact CG-CG2 4.09Å; R311-I320 PolarHBondContact NH2-O 3.19Å; R311-I320 VanDerWaalsContact O-CD1 3.24Å; R311-I320 WeakPolarHBondContact O-CD1 3.34Å; R311-A323 HydrophobicContact CB-CB 3.97Å; R311-A323 HydrophobicContact CG-CB 4.34Å
312	K	92.8	Very high	90.8	Very high	156 Å²	156	69.2 Å²	69.2	68%	0.678	37%	0.368	S	S	*	.	H	α-helix	trans	-63.7	-50.8	178.5	-173.2	175.7	178.8	-179.6	0	111.3	E308 R309 F314 S315	E308-K312 WeakPolarHBondContact O-CB 3.37Å; E308-K312 PolarHBondContact O-N 3.3Å; R309-K312 PolarHBondContact O-N 2.92Å; K312-F314 VanDerWaalsContact C-N 3.27Å; K312-F314 PolarHBondContact O-N 2.84Å; K312-S315 PolarHBondContact O-N 2.74Å; K312-S315 PolarHBondContact O-OG 2.94Å
313	E	91.3	Very high	91.1	Very high	65 Å²	65	68.2 Å²	68.2	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-31.6	-179.7	-71.1	-56.8	133.6	0	0	113.6	R309 P316 F317 M353 V358	R309-E313 WeakPolarHBondContact O-CG 3.35Å; R309-E313 PolarHBondContact O-N 3.49Å; E313-P316 WeakPolarHBondContact O-CD 3.28Å; E313-F317 WeakPolarHBondContact O-CE2 3.41Å; E313-M353 HydrophobicContact CB-CE 4.01Å; E313-V358 HydrophobicContact CG-CG1 4.2Å
314	F	93.6	Very high	91.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-94.2	-14.4	-179.2	-80.5	-103	0	0	0	114.7	L296 V298 L310 K312 F317 I320 V338 F340 A349 M353 L363 V365	L296-F314 HydrophobicContact CD1-CE1 4.43Å; V298-F314 HydrophobicContact CB-CZ 4.45Å; V298-F314 HydrophobicContact CG1-CE2 4.2Å; V298-F314 HydrophobicContact CG1-CZ 3.95Å; V298-F314 HydrophobicContact CG2-CE1 3.97Å; V298-F314 HydrophobicContact CG2-CE2 4.16Å; V298-F314 HydrophobicContact CG2-CZ 3.58Å; L310-F314 HydrophobicContact CD1-CD2 3.76Å; L310-F314 HydrophobicContact CD1-CE2 3.64Å; L310-F314 WeakPolarHBondContact O-CD2 3.34Å; L310-F314 PolarHBondContact O-N 2.85Å; K312-F314 VanDerWaalsContact C-N 3.27Å; K312-F314 PolarHBondContact O-N 2.84Å; F314-F317 WeakPolarHBondContact O-CD2 3.49Å; F314-F317 PolarHBondContact O-N 2.8Å; F314-I320 HydrophobicContact CB-CD1 3.61Å; F314-V338 HydrophobicContact CB-CG1 4.03Å; F314-V338 HydrophobicContact CD1-CG1 4.33Å; F314-V338 HydrophobicContact CD1-CG2 4.39Å; F314-V338 HydrophobicContact CD2-CG2 4.39Å; F314-V338 HydrophobicContact CG-CG1 4.3Å; F314-V338 HydrophobicContact CG-CG2 4.19Å; F314-F340 HydrophobicContact CB-CZ 4.13Å; F314-F340 HydrophobicContact CD1-CE2 4.34Å; F314-F340 HydrophobicContact CD1-CZ 4.21Å; F314-A349 HydrophobicContact CD1-CB 4.27Å; F314-M353 HydrophobicContact CD1-CG 4.29Å; F314-M353 HydrophobicContact CD2-CE 3.85Å; F314-M353 HydrophobicContact CE1-CB 3.86Å; F314-M353 HydrophobicContact CE1-CE 4.47Å; F314-M353 HydrophobicContact CE1-CG 3.9Å; F314-M353 HydrophobicContact CE2-CE 3.57Å; F314-M353 HydrophobicContact CG-CE 4.41Å; F314-M353 HydrophobicContact CZ-CB 3.86Å; F314-M353 HydrophobicContact CZ-CE 3.92Å; F314-M353 HydrophobicContact CZ-CG 4.09Å; F314-L363 HydrophobicContact CE2-CD1 4.06Å; F314-L363 HydrophobicContact CZ-CD1 4.29Å; F314-V365 HydrophobicContact CE1-CG1 4.1Å; F314-V365 HydrophobicContact CE1-CG2 4.21Å; F314-V365 HydrophobicContact CZ-CG1 4.48Å; F314-V365 HydrophobicContact CZ-CG2 3.84Å
315	S	94.1	Very high	91.9	Very high	63 Å²	63	67.1 Å²	67.1	44%	0.441	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-60	-27.8	179.9	63.6	0	0	0	0	116.8	R311 K312 F317 G318	R311-S315 VanDerWaalsContact O-CB 3.32Å; R311-S315 WeakPolarHBondContact O-CB 3.41Å; R311-S315 PolarHBondContact O-N 2.66Å; K312-S315 PolarHBondContact O-N 2.74Å; K312-S315 PolarHBondContact O-OG 2.94Å; S315-F317 PolarHBondContact O-N 2.82Å; S315-F317 VanDerWaalsContact O-N 3.14Å; S315-G318 PolarHBondContact O-N 3.26Å
316	P	94.6	Very high	92.1	Very high	91 Å²	91	69.8 Å²	69.8	59%	0.591	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-64.6	-14.8	175.4	-24.2	36	0	0	0	114.7	E313	E313-P316 WeakPolarHBondContact O-CD 3.28Å
317	F	91.4	Very high	92	Very high	18 Å²	18	71 Å²	71	8%	0.079	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-100.1	-9.2	-175.3	-50	-74.8	0	0	0	113.6	E313 F314 S315 F340 E345 K348 A349 E352 M353	E313-F317 WeakPolarHBondContact O-CE2 3.41Å; F314-F317 WeakPolarHBondContact O-CD2 3.49Å; F314-F317 PolarHBondContact O-N 2.8Å; S315-F317 PolarHBondContact O-N 2.82Å; S315-F317 VanDerWaalsContact O-N 3.14Å; F317-F340 HydrophobicContact CB-CE1 4.35Å; F317-F340 HydrophobicContact CB-CZ 4.26Å; F317-E345 WeakPolarHBondContact O-CB 3.33Å; F317-K348 HydrophobicContact CD1-CG 4.43Å; F317-A349 HydrophobicContact CB-CB 3.7Å; F317-A349 HydrophobicContact CD2-CB 4.36Å; F317-A349 HydrophobicContact CG-CB 4.05Å; F317-E352 HydrophobicContact CD1-CB 4.24Å; F317-E352 HydrophobicContact CE1-CB 3.62Å; F317-E352 HydrophobicContact CE1-CG 4.25Å; F317-E352 WeakPolarHBondContact CE1-OE2 3.42Å; F317-E352 HydrophobicContact CZ-CB 4.23Å; F317-M353 HydrophobicContact CD2-CG 3.97Å; F317-M353 HydrophobicContact CD2-SD 4.43Å; F317-M353 HydrophobicContact CE2-CE 4.29Å; F317-M353 HydrophobicContact CE2-CG 3.43Å; F317-M353 VanDerWaalsContact CE2-CG 3.43Å; F317-M353 HydrophobicContact CE2-SD 3.39Å; F317-M353 WeakPolarHBondContact CE2-SD 3.47Å; F317-M353 HydrophobicContact CZ-CG 3.8Å; F317-M353 HydrophobicContact CZ-SD 3.62Å
318	G	91.3	Very high	91.6	Very high	20 Å²	20	74.7 Å²	74.7	21%	0.206	38%	0.378	C	S	.	.	S	Bend	trans	160.6	179	-179.3	0	0	0	0	0	115.4	S315 I320 E345	S315-G318 PolarHBondContact O-N 3.26Å; G318-I320 PolarHBondContact O-N 2.87Å; G318-E345 VanDerWaalsContact C-OE2 3.31Å; G318-E345 WeakPolarHBondContact CA-OE2 3.39Å
319	T	92.9	Very high	91	Very high	98 Å²	98	70.8 Å²	70.8	60%	0.601	38%	0.383	S	S	*	.			trans	-83.3	102.7	-179.4	-56.6	0	0	0	0	110.6	T321 F340 S341 E345	T319-T321 PolarHBondContact O-N 2.75Å; T319-F340 CarbonylContact O-C 3.59Å; T319-S341 WeakPolarHBondContact CB-OG 3.41Å; T319-S341 PolarHBondContact O-N 3.06Å; T319-S341 PolarHBondContact O-OG 2.8Å; T319-E345 PolarHBondContact N-OE2 3.01Å
320	I	94	Very high	90.4	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.026	39%	0.39	C	S	.	.			trans	-73.9	109.8	179.8	-61.6	170.3	0	0	0	110.7	R311 F314 G318 S322 A323 V338 C339 F340	R311-I320 HydrophobicContact CB-CD1 4.5Å; R311-I320 HydrophobicContact CG-CB 4.22Å; R311-I320 HydrophobicContact CG-CD1 3.85Å; R311-I320 HydrophobicContact CG-CG2 4.09Å; R311-I320 PolarHBondContact NH2-O 3.19Å; R311-I320 VanDerWaalsContact O-CD1 3.24Å; R311-I320 WeakPolarHBondContact O-CD1 3.34Å; F314-I320 HydrophobicContact CB-CD1 3.61Å; G318-I320 PolarHBondContact O-N 2.87Å; I320-S322 VanDerWaalsContact CG2-C 3.42Å; I320-S322 WeakPolarHBondContact CG2-O 3.48Å; I320-A323 HydrophobicContact CG2-CB 3.97Å; I320-V338 HydrophobicContact CD1-CG1 3.89Å; I320-V338 HydrophobicContact CG1-CG1 3.88Å; I320-V338 HydrophobicContact CG2-CG1 4.01Å; I320-C339 CarbonylContact C-O 3.42Å; I320-F340 HydrophobicContact CD1-CE1 4.48Å; I320-F340 HydrophobicContact CG1-CD1 4.14Å; I320-F340 HydrophobicContact CG1-CE1 3.71Å; I320-F340 HydrophobicContact CG1-CZ 4.14Å
321	T	90.7	Very high	89.8	Confident	86 Å²	86	76.1 Å²	76.1	53%	0.528	43%	0.425	S	S	.	.	S	Bend	trans	-71.7	-32.2	172.4	66.1	0	0	0	0	112.3	T319 C339	T319-T321 PolarHBondContact O-N 2.75Å; T321-C339 PolarHBondContact N-O 3.29Å; T321-C339 PolarHBondContact OG1-O 3.01Å
322	S	89.4	Confident	89.5	Confident	69 Å²	69	71.2 Å²	71.2	48%	0.483	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	135.7	174.1	-171.4	0	0	0	0	110.6	I320 C339	I320-S322 VanDerWaalsContact CG2-C 3.42Å; I320-S322 WeakPolarHBondContact CG2-O 3.48Å; S322-C339 PolarHBondContact N-O 2.9Å; S322-C339 PolarHBondContact O-N 2.87Å
323	A	93.1	Very high	89.3	Confident	15 Å²	15	67.7 Å²	67.7	12%	0.124	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.9	164.3	0	0	0	0	0	107.9	L310 R311 I320 F337 V338	L310-A323 HydrophobicContact CD2-CB 4.46Å; L310-A323 HydrophobicContact CG-CB 4.45Å; R311-A323 HydrophobicContact CB-CB 3.97Å; R311-A323 HydrophobicContact CG-CB 4.34Å; I320-A323 HydrophobicContact CG2-CB 3.97Å; A323-F337 CarbonylContact C-O 3.59Å; A323-F337 WeakPolarHBondContact CA-O 3.39Å; A323-V338 HydrophobicContact CB-CG2 4.26Å
324	K	93.2	Very high	89	Confident	118 Å²	118	65.3 Å²	65.3	51%	0.513	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	126.3	179.1	-177.9	158.7	-171.8	160.1	0	113.2	G336 F337	K324-G336 CarbonylContact O-C 3.55Å; K324-G336 WeakPolarHBondContact O-CA 3.46Å; K324-F337 PolarHBondContact N-O 3.26Å; K324-F337 PolarHBondContact O-N 3.11Å
325	V	92.2	Very high	89	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	139.6	170.5	-176.2	0	0	0	0	109.3	L301 L305 D307 L310 S332	L301-V325 HydrophobicContact CD1-CB 4.44Å; L301-V325 HydrophobicContact CD1-CG1 3.97Å; L301-V325 HydrophobicContact CD1-CG2 3.88Å; L305-V325 WeakPolarHBondContact O-CG2 3.45Å; D307-V325 VanDerWaalsContact OD1-CB 3.29Å; D307-V325 WeakPolarHBondContact OD1-CB 3.47Å; D307-V325 WeakPolarHBondContact OD1-CG2 3.33Å; D307-V325 PolarHBondContact OD1-N 3.07Å; L310-V325 HydrophobicContact CB-CG2 4.39Å; L310-V325 HydrophobicContact CD2-CG2 3.91Å; V325-S332 WeakPolarHBondContact CG1-OG 3.39Å
326	M	90.3	Very high	88.9	Confident	68 Å²	68	64.6 Å²	64.6	34%	0.335	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.9	178.6	-67.9	-62.5	-62.2	0	0	109.6	K333 F335 F337	M326-K333 HydrophobicContact CB-CD 4.19Å; M326-K333 VanDerWaalsContact O-CB 3.25Å; M326-K333 WeakPolarHBondContact O-CB 3.29Å; M326-K333 WeakPolarHBondContact O-CG 3.37Å; M326-K333 PolarHBondContact O-N 2.83Å; M326-F335 HydrophobicContact CB-CD2 4.13Å; M326-F335 HydrophobicContact CB-CE2 3.78Å; M326-F335 HydrophobicContact CB-CZ 4Å; M326-F335 HydrophobicContact CG-CD2 3.99Å; M326-F335 HydrophobicContact CG-CE2 3.54Å; M326-F335 HydrophobicContact CG-CZ 4.17Å; M326-F335 PolarHBondContact N-O 3.42Å; M326-F337 HydrophobicContact CG-CD2 4.2Å; M326-F337 HydrophobicContact CG-CE2 3.93Å; M326-F337 HydrophobicContact SD-CE2 4.33Å
327	M	88	Confident	88.9	Confident	112 Å²	112	63.4 Å²	63.4	55%	0.552	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	158.5	177.4	-65.6	-175.9	-117	0	0	113	R331	M327-R331 CarbonylContact C-O 3.53Å; M327-R331 WeakPolarHBondContact CA-O 3.02Å
328	E	84.9	Confident	89	Confident	128 Å²	128	62.6 Å²	62.6	60%	0.598	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.2	126.4	172.9	176.7	157.8	-96.4	0	0	109.4	G330 R331 K333	E328-G330 PolarHBondContact O-N 2.88Å; E328-G330 VanDerWaalsContact O-N 3.13Å; E328-R331 PolarHBondContact N-O 3.12Å; E328-R331 PolarHBondContact O-N 3.13Å; E328-K333 HydrophobicContact CB-CG 4.04Å; E328-K333 IonicContact OE1-NZ 2.64Å; E328-K333 PolarHBondContact OE1-NZ 3.45Å; E328-K333 IonicContact OE2-NZ 2.68Å; E328-K333 PolarHBondContact OE2-NZ 3.18Å
329	G	77.6	Confident	89.1	Confident	85 Å²	85	61.9 Å²	61.9	88%	0.876	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	26.5	-177.4	0	0	0	0	0	114.8
330	G	77.5	Confident	89.1	Confident	72 Å²	72	57.4 Å²	57.4	74%	0.742	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	10.4	-175.5	0	0	0	0	0	115.3	E328	E328-G330 PolarHBondContact O-N 2.88Å; E328-G330 VanDerWaalsContact O-N 3.13Å
331	R	79.9	Confident	89	Confident	197 Å²	197	60.2 Å²	60.2	74%	0.743	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.6	173.5	-54.7	-175.4	-164.9	176.5	4.7	110.9	M327 E328	M327-R331 CarbonylContact C-O 3.53Å; M327-R331 WeakPolarHBondContact CA-O 3.02Å; E328-R331 PolarHBondContact N-O 3.12Å; E328-R331 PolarHBondContact O-N 3.13Å
332	S	87.3	Confident	89	Confident	25 Å²	25	57.6 Å²	57.6	18%	0.175	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	138.6	171.1	-180	0	0	0	0	110.9	V325 G334	V325-S332 WeakPolarHBondContact CG1-OG 3.39Å; S332-G334 PolarHBondContact O-N 3.27Å; S332-G334 PolarHBondContact OG-N 3.13Å; S332-G334 VanDerWaalsContact OG-N 3.07Å
333	K	87.3	Confident	89.1	Confident	82 Å²	82	57.2 Å²	57.2	36%	0.357	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	7	167.4	-67.2	-178.2	-178.3	-86.2	0	112.7	M326 E328 F335	M326-K333 HydrophobicContact CB-CD 4.19Å; M326-K333 VanDerWaalsContact O-CB 3.25Å; M326-K333 WeakPolarHBondContact O-CB 3.29Å; M326-K333 WeakPolarHBondContact O-CG 3.37Å; M326-K333 PolarHBondContact O-N 2.83Å; E328-K333 HydrophobicContact CB-CG 4.04Å; E328-K333 IonicContact OE1-NZ 2.64Å; E328-K333 PolarHBondContact OE1-NZ 3.45Å; E328-K333 IonicContact OE2-NZ 2.68Å; E328-K333 PolarHBondContact OE2-NZ 3.18Å; K333-F335 HydrophobicContact CB-CD1 3.65Å; K333-F335 HydrophobicContact CB-CE1 3.57Å; K333-F335 HydrophobicContact CB-CZ 4.47Å; K333-F335 HydrophobicContact CD-CE1 3.63Å; K333-F335 HydrophobicContact CD-CZ 3.93Å; K333-F335 HydrophobicContact CG-CE1 4.28Å; K333-F335 WeakPolarHBondContact O-CD1 3.34Å; K333-F335 PolarHBondContact O-N 2.81Å
334	G	86.1	Confident	88.9	Confident	16 Å²	16	64 Å²	64	17%	0.165	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.6	18.6	-173.6	0	0	0	0	0	113.6	K299 N300 L301 S332	K299-G334 CarbonylContact C-O 3.5Å; N300-G334 PolarHBondContact N-O 3.11Å; L301-G334 PolarHBondContact N-O 3.36Å; S332-G334 PolarHBondContact O-N 3.27Å; S332-G334 PolarHBondContact OG-N 3.13Å; S332-G334 VanDerWaalsContact OG-N 3.07Å
335	F	92.3	Very high	89	Confident	48 Å²	48	60.1 Å²	60.1	21%	0.211	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	157.5	175.4	77.9	-96.5	0	0	0	113.3	Y297 V298 K299 L301 M326 K333 F337	Y297-F335 HydrophobicContact CD2-CD2 4.2Å; Y297-F335 HydrophobicContact CE2-CB 4.02Å; Y297-F335 AromaticContact CE2-CD2 3.44Å; Y297-F335 HydrophobicContact CE2-CD2 3.44Å; Y297-F335 VanDerWaalsContact CE2-CD2 3.44Å; Y297-F335 AromaticContact CE2-CE2 4Å; Y297-F335 HydrophobicContact CE2-CE2 4Å; Y297-F335 AromaticContact CE2-CG 3.86Å; Y297-F335 HydrophobicContact CE2-CG 3.86Å; V298-F335 CarbonylContact O-C 3.59Å; V298-F335 WeakPolarHBondContact O-CA 3.19Å; V298-F335 VanDerWaalsContact O-CB 3.3Å; V298-F335 WeakPolarHBondContact O-CB 3.21Å; K299-F335 HydrophobicContact CB-CB 4.19Å; K299-F335 HydrophobicContact CG-CB 3.95Å; L301-F335 VanDerWaalsContact CD1-C 3.48Å; M326-F335 HydrophobicContact CB-CD2 4.13Å; M326-F335 HydrophobicContact CB-CE2 3.78Å; M326-F335 HydrophobicContact CB-CZ 4Å; M326-F335 HydrophobicContact CG-CD2 3.99Å; M326-F335 HydrophobicContact CG-CE2 3.54Å; M326-F335 HydrophobicContact CG-CZ 4.17Å; M326-F335 PolarHBondContact N-O 3.42Å; K333-F335 HydrophobicContact CB-CD1 3.65Å; K333-F335 HydrophobicContact CB-CE1 3.57Å; K333-F335 HydrophobicContact CB-CZ 4.47Å; K333-F335 HydrophobicContact CD-CE1 3.63Å; K333-F335 HydrophobicContact CD-CZ 3.93Å; K333-F335 HydrophobicContact CG-CE1 4.28Å; K333-F335 WeakPolarHBondContact O-CD1 3.34Å; K333-F335 PolarHBondContact O-N 2.81Å; F335-F337 HydrophobicContact CD2-CE2 4.4Å; F335-F337 HydrophobicContact CE2-CE2 4.07Å; F335-F337 HydrophobicContact CE2-CZ 4.35Å
336	G	92.9	Very high	88.9	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-173.3	178.7	0	0	0	0	0	112	V298 K324	V298-G336 PolarHBondContact N-O 3.13Å; V298-G336 PolarHBondContact O-N 2.97Å; K324-G336 CarbonylContact O-C 3.55Å; K324-G336 WeakPolarHBondContact O-CA 3.46Å
337	F	94.3	Very high	89	Confident	66 Å²	66	60.2 Å²	60.2	29%	0.289	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.5	178.1	-61.6	-85.9	0	0	0	110.8	L296 Y297 A323 K324 M326 F335 A368	L296-F337 WeakPolarHBondContact O-CA 3.35Å; L296-F337 WeakPolarHBondContact O-CD1 3.38Å; Y297-F337 HydrophobicContact CD2-CD1 4.34Å; Y297-F337 AromaticContact CD2-CE1 3.71Å; Y297-F337 HydrophobicContact CD2-CE1 3.71Å; Y297-F337 AromaticContact CD2-CZ 3.99Å; Y297-F337 HydrophobicContact CD2-CZ 3.99Å; Y297-F337 HydrophobicContact CG-CE1 4.48Å; A323-F337 CarbonylContact C-O 3.59Å; A323-F337 WeakPolarHBondContact CA-O 3.39Å; K324-F337 PolarHBondContact N-O 3.26Å; K324-F337 PolarHBondContact O-N 3.11Å; M326-F337 HydrophobicContact CG-CD2 4.2Å; M326-F337 HydrophobicContact CG-CE2 3.93Å; M326-F337 HydrophobicContact SD-CE2 4.33Å; F335-F337 HydrophobicContact CD2-CE2 4.4Å; F335-F337 HydrophobicContact CE2-CE2 4.07Å; F335-F337 HydrophobicContact CE2-CZ 4.35Å; F337-A368 HydrophobicContact CD1-CB 3.98Å; F337-A368 HydrophobicContact CE1-CB 4.08Å
338	V	94.3	Very high	89.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118.7	175.1	-176.9	0	0	0	0	108.6	L296 V298 L310 F314 I320 A323 F340	L296-V338 WeakPolarHBondContact CB-O 3.38Å; L296-V338 PolarHBondContact N-O 2.76Å; L296-V338 PolarHBondContact O-N 3.07Å; V298-V338 HydrophobicContact CG2-CG2 3.99Å; L310-V338 HydrophobicContact CD1-CG2 3.99Å; L310-V338 HydrophobicContact CD2-CG2 3.81Å; L310-V338 HydrophobicContact CG-CG2 3.71Å; F314-V338 HydrophobicContact CB-CG1 4.03Å; F314-V338 HydrophobicContact CD1-CG1 4.33Å; F314-V338 HydrophobicContact CD1-CG2 4.39Å; F314-V338 HydrophobicContact CD2-CG2 4.39Å; F314-V338 HydrophobicContact CG-CG1 4.3Å; F314-V338 HydrophobicContact CG-CG2 4.19Å; I320-V338 HydrophobicContact CD1-CG1 3.89Å; I320-V338 HydrophobicContact CG1-CG1 3.88Å; I320-V338 HydrophobicContact CG2-CG1 4.01Å; A323-V338 HydrophobicContact CB-CG2 4.26Å; V338-F340 HydrophobicContact CG1-CD2 4.33Å; V338-F340 HydrophobicContact CG1-CE2 3.77Å; V338-F340 HydrophobicContact CG1-CZ 4.07Å
339	C	92.1	Very high	89.7	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.6	-179.1	-168.9	0	0	0	0	110.8	V294 N295 I320 T321 S322	V294-C339 WeakPolarHBondContact O-CA 3.41Å; N295-C339 HydrophobicContact CB-CB 4.37Å; I320-C339 CarbonylContact C-O 3.42Å; T321-C339 PolarHBondContact N-O 3.29Å; T321-C339 PolarHBondContact OG1-O 3.01Å; S322-C339 PolarHBondContact N-O 2.9Å; S322-C339 PolarHBondContact O-N 2.87Å
340	F	94.1	Very high	90.4	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.013	28%	0.276	C	S	.	.			trans	-83.7	174.4	176.2	-72.9	-82.9	0	0	0	112.2	V294 L296 F314 F317 T319 I320 V338 E345 A346 A349	V294-F340 PolarHBondContact O-N 2.82Å; L296-F340 HydrophobicContact CD1-CD2 4.2Å; L296-F340 HydrophobicContact CD1-CE2 3.74Å; L296-F340 HydrophobicContact CG-CD2 4.38Å; L296-F340 HydrophobicContact CG-CE2 4.34Å; F314-F340 HydrophobicContact CB-CZ 4.13Å; F314-F340 HydrophobicContact CD1-CE2 4.34Å; F314-F340 HydrophobicContact CD1-CZ 4.21Å; F317-F340 HydrophobicContact CB-CE1 4.35Å; F317-F340 HydrophobicContact CB-CZ 4.26Å; T319-F340 CarbonylContact O-C 3.59Å; I320-F340 HydrophobicContact CD1-CE1 4.48Å; I320-F340 HydrophobicContact CG1-CD1 4.14Å; I320-F340 HydrophobicContact CG1-CE1 3.71Å; I320-F340 HydrophobicContact CG1-CZ 4.14Å; V338-F340 HydrophobicContact CG1-CD2 4.33Å; V338-F340 HydrophobicContact CG1-CE2 3.77Å; V338-F340 HydrophobicContact CG1-CZ 4.07Å; F340-E345 HydrophobicContact CB-CB 3.96Å; F340-E345 HydrophobicContact CD1-CB 3.88Å; F340-E345 HydrophobicContact CG-CB 4Å; F340-A346 HydrophobicContact CB-CB 4.28Å; F340-A346 HydrophobicContact CD2-CB 3.96Å; F340-A346 HydrophobicContact CG-CB 4.44Å; F340-A349 HydrophobicContact CE2-CB 3.65Å; F340-A349 HydrophobicContact CZ-CB 3.73Å
341	S	91.7	Very high	91.1	Very high	64 Å²	64	52.9 Å²	52.9	45%	0.448	27%	0.273	S	S	.	.	S	Bend	trans	-75.8	-37.4	171.1	32.8	0	0	0	0	113	T319 E345	T319-S341 WeakPolarHBondContact CB-OG 3.41Å; T319-S341 PolarHBondContact O-N 3.06Å; T319-S341 PolarHBondContact O-OG 2.8Å; S341-E345 PolarHBondContact OG-OE1 3Å; S341-E345 PolarHBondContact OG-OE2 3.08Å
342	S	90.6	Very high	91.6	Very high	31 Å²	31	48.3 Å²	48.3	22%	0.217	26%	0.26	C	S	.	.	S	Bend	trans	-125	155.8	-179.2	74.2	0	0	0	0	112.6	E344 E345 A346	S342-E344 PolarHBondContact O-N 3.43Å; S342-E345 WeakPolarHBondContact CB-OE1 3.34Å; S342-E345 PolarHBondContact N-OE1 3.4Å; S342-E345 VanDerWaalsContact N-OE1 3.09Å; S342-E345 WeakPolarHBondContact OG-CG 3.38Å; S342-E345 PolarHBondContact OG-N 3.36Å; S342-E345 PolarHBondContact OG-OE1 3.39Å; S342-A346 PolarHBondContact O-N 3.23Å
343	P	90.8	Very high	91.9	Very high	62 Å²	62	47.1 Å²	47.1	40%	0.403	25%	0.251	S	S	.	.	H	α-helix	trans	-73.8	-17.7	177.7	30.5	-35.4	0	0	0	112.2	V294 T347	V294-P343 HydrophobicContact CG1-CB 4.32Å; P343-T347 WeakPolarHBondContact O-CB 3.43Å; P343-T347 PolarHBondContact O-N 3.41Å; P343-T347 PolarHBondContact O-OG1 3.15Å
344	E	90.6	Very high	92.1	Very high	157 Å²	157	46.9 Å²	46.9	73%	0.734	25%	0.254	S	S	*	.	H	α-helix	trans	-72.2	-49.6	177	-66.7	169	-153.4	0	0	110.7	S342 A346 T347 K348	S342-E344 PolarHBondContact O-N 3.43Å; E344-A346 VanDerWaalsContact C-N 3.3Å; E344-A346 PolarHBondContact O-N 3.32Å; E344-T347 PolarHBondContact O-N 3.47Å; E344-K348 PolarHBondContact O-N 3.09Å
345	E	93.8	Very high	92.2	Very high	37 Å²	37	48.4 Å²	48.4	17%	0.173	27%	0.269	C	S	.	.	H	α-helix	trans	-53.3	-47.2	169	-68.8	160.8	-114.3	0	0	111.6	F317 G318 T319 F340 S341 S342 T347 K348 A349	F317-E345 WeakPolarHBondContact O-CB 3.33Å; G318-E345 VanDerWaalsContact C-OE2 3.31Å; G318-E345 WeakPolarHBondContact CA-OE2 3.39Å; T319-E345 PolarHBondContact N-OE2 3.01Å; F340-E345 HydrophobicContact CB-CB 3.96Å; F340-E345 HydrophobicContact CD1-CB 3.88Å; F340-E345 HydrophobicContact CG-CB 4Å; S341-E345 PolarHBondContact OG-OE1 3Å; S341-E345 PolarHBondContact OG-OE2 3.08Å; S342-E345 WeakPolarHBondContact CB-OE1 3.34Å; S342-E345 PolarHBondContact N-OE1 3.4Å; S342-E345 VanDerWaalsContact N-OE1 3.09Å; S342-E345 WeakPolarHBondContact OG-CG 3.38Å; S342-E345 PolarHBondContact OG-N 3.36Å; S342-E345 PolarHBondContact OG-OE1 3.39Å; E345-T347 VanDerWaalsContact C-N 3.35Å; E345-T347 PolarHBondContact O-N 3.19Å; E345-K348 PolarHBondContact O-N 3.24Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 2.76Å
346	A	91.5	Very high	92.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-40.6	179.1	0	0	0	0	0	112.2	G293 L296 F340 S342 E344 A349 V350	G293-A346 VanDerWaalsContact O-CB 3.3Å; G293-A346 WeakPolarHBondContact O-CB 3.46Å; L296-A346 HydrophobicContact CD2-CB 3.92Å; L296-A346 HydrophobicContact CG-CB 4.33Å; F340-A346 HydrophobicContact CB-CB 4.28Å; F340-A346 HydrophobicContact CD2-CB 3.96Å; F340-A346 HydrophobicContact CG-CB 4.44Å; S342-A346 PolarHBondContact O-N 3.23Å; E344-A346 VanDerWaalsContact C-N 3.3Å; E344-A346 PolarHBondContact O-N 3.32Å; A346-A349 PolarHBondContact O-N 3.49Å; A346-V350 VanDerWaalsContact O-CG2 3.31Å; A346-V350 WeakPolarHBondContact O-CG2 3.26Å; A346-V350 PolarHBondContact O-N 3.48Å
347	T	91.4	Very high	91.9	Very high	74 Å²	74	57.1 Å²	57.1	45%	0.454	31%	0.308	S	S	.	.	H	α-helix	trans	-70.1	-37.8	177.8	-57.8	0	0	0	0	111.9	P343 E344 E345 V350 T351	P343-T347 WeakPolarHBondContact O-CB 3.43Å; P343-T347 PolarHBondContact O-N 3.41Å; P343-T347 PolarHBondContact O-OG1 3.15Å; E344-T347 PolarHBondContact O-N 3.47Å; E345-T347 VanDerWaalsContact C-N 3.35Å; E345-T347 PolarHBondContact O-N 3.19Å; T347-V350 PolarHBondContact O-N 2.64Å; T347-T351 PolarHBondContact O-N 3.03Å; T347-T351 PolarHBondContact O-OG1 2.85Å
348	K	93.2	Very high	91.4	Very high	104 Å²	104	54.8 Å²	54.8	45%	0.452	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-50	171	-175.7	-177.8	177.3	-174.8	0	111	F317 E344 E345 V350 T351 E352	F317-K348 HydrophobicContact CD1-CG 4.43Å; E344-K348 PolarHBondContact O-N 3.09Å; E345-K348 PolarHBondContact O-N 3.24Å; K348-V350 VanDerWaalsContact C-N 3.34Å; K348-V350 PolarHBondContact O-N 3.19Å; K348-T351 WeakPolarHBondContact O-CB 3.27Å; K348-T351 PolarHBondContact O-N 3.07Å; K348-E352 WeakPolarHBondContact CE-OE1 3.44Å; K348-E352 WeakPolarHBondContact CG-OE1 3.44Å; K348-E352 IonicContact NZ-OE1 3.23Å; K348-E352 PolarHBondContact O-N 2.92Å
349	A	93.5	Very high	90.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-38.4	177.4	0	0	0	0	0	113	L296 F314 F317 F340 E345 A346 T351 M353	L296-A349 HydrophobicContact CD1-CB 3.81Å; F314-A349 HydrophobicContact CD1-CB 4.27Å; F317-A349 HydrophobicContact CB-CB 3.7Å; F317-A349 HydrophobicContact CD2-CB 4.36Å; F317-A349 HydrophobicContact CG-CB 4.05Å; F340-A349 HydrophobicContact CE2-CB 3.65Å; F340-A349 HydrophobicContact CZ-CB 3.73Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 2.76Å; A346-A349 PolarHBondContact O-N 3.49Å; A349-T351 VanDerWaalsContact C-N 3.3Å; A349-T351 PolarHBondContact O-N 2.87Å; A349-M353 VanDerWaalsContact O-CB 3.23Å; A349-M353 WeakPolarHBondContact O-CB 3.48Å; A349-M353 PolarHBondContact O-N 3.48Å
350	V	93.5	Very high	90.5	Very high	31 Å²	31	63.1 Å²	63.1	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-41	171.1	168.1	0	0	0	0	111.3	L296 A346 T347 K348 N354 V365	L296-V350 HydrophobicContact CD1-CG2 3.97Å; L296-V350 HydrophobicContact CD2-CG2 3.43Å; L296-V350 VanDerWaalsContact CD2-CG2 3.43Å; L296-V350 HydrophobicContact CG-CG2 4.32Å; A346-V350 VanDerWaalsContact O-CG2 3.31Å; A346-V350 WeakPolarHBondContact O-CG2 3.26Å; A346-V350 PolarHBondContact O-N 3.48Å; T347-V350 PolarHBondContact O-N 2.64Å; K348-V350 VanDerWaalsContact C-N 3.34Å; K348-V350 PolarHBondContact O-N 3.19Å; V350-N354 WeakPolarHBondContact O-CB 3.45Å; V350-N354 PolarHBondContact O-N 3.47Å; V350-V365 HydrophobicContact CG2-CG1 4.04Å
351	T	91.7	Very high	90.3	Very high	108 Å²	108	66 Å²	66	66%	0.663	37%	0.371	S	S	*	.	H	α-helix	trans	-72.1	-39.8	-176.1	-53.1	0	0	0	0	112.4	T347 K348 A349	T347-T351 PolarHBondContact O-N 3.03Å; T347-T351 PolarHBondContact O-OG1 2.85Å; K348-T351 WeakPolarHBondContact O-CB 3.27Å; K348-T351 PolarHBondContact O-N 3.07Å; A349-T351 VanDerWaalsContact C-N 3.3Å; A349-T351 PolarHBondContact O-N 2.87Å
352	E	91.6	Very high	90.3	Very high	101 Å²	101	66.1 Å²	66.1	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-93.8	-25.8	-175	-67.5	-176.9	-114.7	0	0	114.8	F317 K348	F317-E352 HydrophobicContact CD1-CB 4.24Å; F317-E352 HydrophobicContact CE1-CB 3.62Å; F317-E352 HydrophobicContact CE1-CG 4.25Å; F317-E352 WeakPolarHBondContact CE1-OE2 3.42Å; F317-E352 HydrophobicContact CZ-CB 4.23Å; K348-E352 WeakPolarHBondContact CE-OE1 3.44Å; K348-E352 WeakPolarHBondContact CG-OE1 3.44Å; K348-E352 IonicContact NZ-OE1 3.23Å; K348-E352 PolarHBondContact O-N 2.92Å
353	M	91.9	Very high	90.4	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-98.8	-17	-178.3	-63.6	-68.7	-81.6	0	0	114.2	E313 F314 F317 A349 G355 R356 L363 V365	E313-M353 HydrophobicContact CB-CE 4.01Å; F314-M353 HydrophobicContact CD1-CG 4.29Å; F314-M353 HydrophobicContact CD2-CE 3.85Å; F314-M353 HydrophobicContact CE1-CB 3.86Å; F314-M353 HydrophobicContact CE1-CE 4.47Å; F314-M353 HydrophobicContact CE1-CG 3.9Å; F314-M353 HydrophobicContact CE2-CE 3.57Å; F314-M353 HydrophobicContact CG-CE 4.41Å; F314-M353 HydrophobicContact CZ-CB 3.86Å; F314-M353 HydrophobicContact CZ-CE 3.92Å; F314-M353 HydrophobicContact CZ-CG 4.09Å; F317-M353 HydrophobicContact CD2-CG 3.97Å; F317-M353 HydrophobicContact CD2-SD 4.43Å; F317-M353 HydrophobicContact CE2-CE 4.29Å; F317-M353 HydrophobicContact CE2-CG 3.43Å; F317-M353 VanDerWaalsContact CE2-CG 3.43Å; F317-M353 HydrophobicContact CE2-SD 3.39Å; F317-M353 WeakPolarHBondContact CE2-SD 3.47Å; F317-M353 HydrophobicContact CZ-CG 3.8Å; F317-M353 HydrophobicContact CZ-SD 3.62Å; A349-M353 VanDerWaalsContact O-CB 3.23Å; A349-M353 WeakPolarHBondContact O-CB 3.48Å; A349-M353 PolarHBondContact O-N 3.48Å; M353-G355 PolarHBondContact O-N 3.14Å; M353-R356 WeakPolarHBondContact O-CB 3.46Å; M353-R356 PolarHBondContact O-N 2.9Å; M353-R356 WeakPolarHBondContact SD-CD 3.42Å; M353-R356 PolarHBondContact SD-NH1 3.43Å; M353-L363 HydrophobicContact CE-CD1 4.22Å; M353-V365 HydrophobicContact CB-CG2 3.87Å
354	N	92.6	Very high	90.5	Very high	77 Å²	77	67.2 Å²	67.2	41%	0.412	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	121.6	177.3	-172.3	38.3	0	0	0	110.9	V350 R356 Y364 V365	V350-N354 WeakPolarHBondContact O-CB 3.45Å; V350-N354 PolarHBondContact O-N 3.47Å; N354-R356 VanDerWaalsContact C-N 3.3Å; N354-Y364 WeakPolarHBondContact OD1-CA 3.4Å; N354-V365 HydrophobicContact CB-CB 4.02Å; N354-V365 PolarHBondContact OD1-N 3.42Å
355	G	88.3	Confident	90.6	Very high	47 Å²	47	59.8 Å²	59.8	49%	0.485	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-10.6	-172.8	0	0	0	0	0	114.7	M353 I357 L363	M353-G355 PolarHBondContact O-N 3.14Å; G355-I357 PolarHBondContact O-N 2.85Å; G355-L363 WeakPolarHBondContact CA-O 3.29Å; G355-L363 PolarHBondContact N-O 3.12Å
356	R	90	Very high	90.5	Very high	113 Å²	113	59 Å²	59	43%	0.426	33%	0.328	S	S	.	.			trans	-67.6	130	179.8	-168.6	-179.5	-179.6	-161.8	-5.3	110.4	M353 N354 V358 L363	M353-R356 WeakPolarHBondContact O-CB 3.46Å; M353-R356 PolarHBondContact O-N 2.9Å; M353-R356 WeakPolarHBondContact SD-CD 3.42Å; M353-R356 PolarHBondContact SD-NH1 3.43Å; N354-R356 VanDerWaalsContact C-N 3.3Å; R356-V358 PolarHBondContact O-N 2.84Å; R356-L363 PolarHBondContact O-N 3.2Å
357	I	88.9	Confident	90.5	Very high	119 Å²	119	63.3 Å²	63.3	61%	0.61	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.3	175.2	-58.7	173.6	0	0	0	108.9	G355 K361 P362	G355-I357 PolarHBondContact O-N 2.85Å; I357-K361 WeakPolarHBondContact CA-O 3.18Å; I357-P362 HydrophobicContact CG1-CB 4.15Å
358	V	83.4	Confident	90.2	Very high	17 Å²	17	61 Å²	61	10%	0.103	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.1	173.1	177.8	0	0	0	0	107.9	L305 E313 R356 T360 K361 L363	L305-V358 HydrophobicContact CD1-CG1 3.84Å; E313-V358 HydrophobicContact CG-CG1 4.2Å; R356-V358 PolarHBondContact O-N 2.84Å; V358-T360 PolarHBondContact O-N 3.33Å; V358-K361 PolarHBondContact N-O 3.1Å; V358-K361 PolarHBondContact O-N 3.23Å; V358-L363 HydrophobicContact CB-CD1 4.09Å; V358-L363 HydrophobicContact CB-CD2 4.37Å; V358-L363 HydrophobicContact CB-CG 4.08Å; V358-L363 HydrophobicContact CG2-CD1 3.61Å; V358-L363 HydrophobicContact CG2-CG 3.93Å
359	A	82.9	Confident	89.7	Confident	79 Å²	79	61.9 Å²	61.9	65%	0.653	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	-96.9	-162	0	0	0	0	0	112.2	D302	D302-A359 HydrophobicContact CB-CB 4.17Å
360	T	85.1	Confident	88.9	Confident	101 Å²	101	65.9 Å²	65.9	62%	0.62	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-10.5	-173.4	58.8	0	0	0	0	114.1	D302 V358	D302-T360 PolarHBondContact OD2-OG1 3.03Å; V358-T360 PolarHBondContact O-N 3.33Å
361	K	88.6	Confident	88.2	Confident	63 Å²	63	72.8 Å²	72.8	27%	0.274	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.5	-166.9	-72.2	155.5	-179.8	155.8	0	111.4	N300 D302 D303 I357 V358 L363	N300-K361 WeakPolarHBondContact O-CB 3.34Å; D302-K361 HydrophobicContact CB-CD 4.17Å; D302-K361 WeakPolarHBondContact OD2-CE 3.49Å; D302-K361 IonicContact OD2-NZ 2.64Å; D302-K361 PolarHBondContact OD2-NZ 3.46Å; D303-K361 IonicContact OD1-NZ 2.67Å; D303-K361 PolarHBondContact OD1-NZ 2.97Å; I357-K361 WeakPolarHBondContact CA-O 3.18Å; V358-K361 PolarHBondContact N-O 3.1Å; V358-K361 PolarHBondContact O-N 3.23Å; K361-L363 PolarHBondContact O-N 3.23Å
362	P	91.5	Very high	87.6	Confident	68 Å²	68	73.8 Å²	73.8	44%	0.442	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119	169.1	29.2	-32	0	0	0	110	N300 I357	N300-P362 VanDerWaalsContact CB-O 3.26Å; N300-P362 WeakPolarHBondContact CB-O 3.32Å; N300-P362 PolarHBondContact ND2-O 3.04Å; I357-P362 HydrophobicContact CG1-CB 4.15Å
363	L	93.1	Very high	86.9	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.026	39%	0.388	C	S	.	.			trans	-64.9	146.7	176.4	-62.7	-170.8	0	0	0	110.9	V298 L301 F314 M353 G355 R356 V358 K361 V365	V298-L363 HydrophobicContact CG1-CD1 4.21Å; V298-L363 HydrophobicContact CG1-CD2 4.42Å; L301-L363 HydrophobicContact CD2-CD2 3.93Å; F314-L363 HydrophobicContact CE2-CD1 4.06Å; F314-L363 HydrophobicContact CZ-CD1 4.29Å; M353-L363 HydrophobicContact CE-CD1 4.22Å; G355-L363 WeakPolarHBondContact CA-O 3.29Å; G355-L363 PolarHBondContact N-O 3.12Å; R356-L363 PolarHBondContact O-N 3.2Å; V358-L363 HydrophobicContact CB-CD1 4.09Å; V358-L363 HydrophobicContact CB-CD2 4.37Å; V358-L363 HydrophobicContact CB-CG 4.08Å; V358-L363 HydrophobicContact CG2-CD1 3.61Å; V358-L363 HydrophobicContact CG2-CG 3.93Å; K361-L363 PolarHBondContact O-N 3.23Å; L363-V365 HydrophobicContact CB-CG2 4.32Å
364	Y	92.4	Very high	86.1	Confident	110 Å²	110	81 Å²	81	43%	0.431	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122	166.2	170.9	-94.4	0	0	0	108.5	Y297 V298 K299 N354 A366	Y297-Y364 HydrophobicContact CD1-CD1 4.4Å; Y297-Y364 HydrophobicContact CD1-CE1 4.24Å; Y297-Y364 HydrophobicContact CE1-CD1 4.37Å; Y297-Y364 HydrophobicContact CE1-CE1 4.35Å; V298-Y364 CarbonylContact C-O 3.58Å; V298-Y364 WeakPolarHBondContact CA-O 3.38Å; K299-Y364 HydrophobicContact CB-CD1 4.05Å; K299-Y364 PolarHBondContact N-O 3.43Å; K299-Y364 PolarHBondContact O-N 3.34Å; N354-Y364 WeakPolarHBondContact OD1-CA 3.4Å; Y364-A366 HydrophobicContact CE1-CB 3.96Å
365	V	94.1	Very high	85.5	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.012	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.9	-175.1	-171.8	0	0	0	0	109.6	L296 V298 F314 V350 M353 N354 L363	L296-V365 HydrophobicContact CB-CG1 4.4Å; L296-V365 HydrophobicContact CD1-CG1 3.8Å; V298-V365 HydrophobicContact CG1-CG2 4.24Å; V298-V365 HydrophobicContact CG2-CG1 4.4Å; V298-V365 HydrophobicContact CG2-CG2 4.43Å; F314-V365 HydrophobicContact CE1-CG1 4.1Å; F314-V365 HydrophobicContact CE1-CG2 4.21Å; F314-V365 HydrophobicContact CZ-CG1 4.48Å; F314-V365 HydrophobicContact CZ-CG2 3.84Å; V350-V365 HydrophobicContact CG2-CG1 4.04Å; M353-V365 HydrophobicContact CB-CG2 3.87Å; N354-V365 HydrophobicContact CB-CB 4.02Å; N354-V365 PolarHBondContact OD1-N 3.42Å; L363-V365 HydrophobicContact CB-CG2 4.32Å
366	A	91.9	Very high	85.1	Confident	21 Å²	21	83.1 Å²	83.1	17%	0.174	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	165	178.8	0	0	0	0	0	111.3	L296 Y297 Y364 A368	L296-A366 CarbonylContact C-O 3.5Å; L296-A366 WeakPolarHBondContact CA-O 3.5Å; Y297-A366 PolarHBondContact N-O 3.48Å; Y297-A366 PolarHBondContact O-N 2.78Å; Y297-A366 VanDerWaalsContact O-N 3.1Å; Y364-A366 HydrophobicContact CE1-CB 3.96Å; A366-A368 PolarHBondContact O-N 2.84Å
367	L	90.4	Very high	84.5	Confident	90 Å²	90	83.7 Å²	83.7	47%	0.471	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134.3	171.6	-62.8	178.2	0	0	0	111	G293 L296 Q369	G293-L367 WeakPolarHBondContact O-CD2 3.36Å; L296-L367 HydrophobicContact CD2-CD2 3.76Å; L367-Q369 PolarHBondContact O-N 3.09Å
368	A	85.6	Confident	84	Confident	24 Å²	24	82.5 Å²	82.5	20%	0.198	42%	0.418	C	S	.	.			trans	-78	90.1	-172.1	0	0	0	0	0	113.4	N295 F337 A366	N295-A368 HydrophobicContact CB-CB 4.24Å; N295-A368 VanDerWaalsContact ND2-CB 3.34Å; N295-A368 WeakPolarHBondContact ND2-CB 3.27Å; N295-A368 VanDerWaalsContact O-CB 3.23Å; N295-A368 WeakPolarHBondContact O-CB 3.37Å; N295-A368 PolarHBondContact O-N 2.97Å; F337-A368 HydrophobicContact CD1-CB 3.98Å; F337-A368 HydrophobicContact CE1-CB 4.08Å; A366-A368 PolarHBondContact O-N 2.84Å
369	Q	82.8	Confident	83.9	Confident	123 Å²	123	85.1 Å²	85.1	58%	0.575	43%	0.434	S	S	*	.			trans	-64.6	138.6	170.6	-65.3	-179.4	-8	0	0	112.1	L367 R374	L367-Q369 PolarHBondContact O-N 3.09Å; Q369-R374 HydrophobicContact CB-CB 4.36Å
370	R	76.7	Confident	83.9	Confident	84 Å²	84	85.9 Å²	85.9	32%	0.317	43%	0.427	S	S	.	.			trans	-73.1	151.4	176.7	-71	-176.7	173	176.5	-0.5	111.5	R287 E372 E373 R374	R287-R370 PolarHBondContact O-NH2 2.7Å; R370-E372 VanDerWaalsContact C-N 3.32Å; R370-E372 PolarHBondContact O-N 3.38Å; R370-E373 HydrophobicContact CB-CB 4.19Å; R370-E373 PolarHBondContact N-OE2 3.48Å; R370-E373 PolarHBondContact O-N 3.2Å; R370-R374 WeakPolarHBondContact O-CB 3.15Å; R370-R374 PolarHBondContact O-N 2.99Å
371	K	78.5	Confident	83.6	Confident	177 Å²	177	85.5 Å²	85.5	77%	0.77	42%	0.418	S	S	*	.	H	α-helix	trans	-56	-44.9	177.4	-173.6	-177.4	177.2	-174.9	0	112.3	Q375	K371-Q375 WeakPolarHBondContact O-CB 3.41Å; K371-Q375 PolarHBondContact O-N 2.96Å
372	E	79.1	Confident	83	Confident	128 Å²	128	90 Å²	90	60%	0.598	43%	0.434	S	S	*	.	H	α-helix	trans	-57.2	-49.9	177.1	-61.5	177.7	168.9	0	0	111.4	K284 R370 Q375 A376	K284-E372 IonicContact NZ-OE1 3.05Å; K284-E372 IonicContact NZ-OE2 3.61Å; K284-E372 PolarHBondContact NZ-OE2 3Å; R370-E372 VanDerWaalsContact C-N 3.32Å; R370-E372 PolarHBondContact O-N 3.38Å; E372-Q375 PolarHBondContact O-N 3.16Å; E372-A376 PolarHBondContact O-N 3.08Å
373	E	77.6	Confident	82.4	Confident	117 Å²	117	92.4 Å²	92.4	55%	0.547	44%	0.441	S	S	.	.	H	α-helix	trans	-70.1	-46.2	-176.3	179.7	178.3	-137.7	0	0	112.5	R370 Q375 A376 H377	R370-E373 HydrophobicContact CB-CB 4.19Å; R370-E373 PolarHBondContact N-OE2 3.48Å; R370-E373 PolarHBondContact O-N 3.2Å; E373-Q375 VanDerWaalsContact C-N 3.29Å; E373-Q375 PolarHBondContact O-N 3.27Å; E373-A376 PolarHBondContact O-N 3.42Å; E373-H377 WeakPolarHBondContact O-CB 3.45Å; E373-H377 PolarHBondContact O-N 3.34Å
374	R	75.3	Confident	81.6	Confident	135 Å²	135	98.7 Å²	98.7	51%	0.509	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-38.1	173.5	-177.3	175.3	175.9	173.5	1.4	111.6	Q369 R370 H377 L378	Q369-R374 HydrophobicContact CB-CB 4.36Å; R370-R374 WeakPolarHBondContact O-CB 3.15Å; R370-R374 PolarHBondContact O-N 2.99Å; R374-H377 PolarHBondContact O-N 3.46Å; R374-L378 HydrophobicContact CG-CD1 4.08Å; R374-L378 WeakPolarHBondContact O-CB 3.34Å; R374-L378 VanDerWaalsContact O-CG 3.26Å; R374-L378 WeakPolarHBondContact O-CG 3.47Å; R374-L378 PolarHBondContact O-N 3.39Å
375	Q	79	Confident	80.6	Confident	118 Å²	118	101.8 Å²	101.8	55%	0.551	48%	0.481	S	S	*	.	H	α-helix	trans	-66.1	-46.1	175	-176.2	170.5	-6.2	0	0	111	K371 E372 E373 H377 L378 T379	K371-Q375 WeakPolarHBondContact O-CB 3.41Å; K371-Q375 PolarHBondContact O-N 2.96Å; E372-Q375 PolarHBondContact O-N 3.16Å; E373-Q375 VanDerWaalsContact C-N 3.29Å; E373-Q375 PolarHBondContact O-N 3.27Å; Q375-H377 VanDerWaalsContact C-N 3.34Å; Q375-H377 PolarHBondContact O-N 2.9Å; Q375-L378 PolarHBondContact O-N 3.37Å; Q375-T379 WeakPolarHBondContact O-CB 3.39Å; Q375-T379 PolarHBondContact O-N 2.94Å; Q375-T379 PolarHBondContact O-OG1 3.41Å; Q375-T379 VanDerWaalsContact O-OG1 3.1Å
376	A	79.3	Confident	79	Confident	52 Å²	52	106 Å²	106	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-59.8	-41.8	174.8	0	0	0	0	0	112.4	E372 E373 T379 N380	E372-A376 PolarHBondContact O-N 3.08Å; E373-A376 PolarHBondContact O-N 3.42Å; A376-T379 PolarHBondContact O-N 3.4Å; A376-N380 WeakPolarHBondContact O-CB 3.43Å; A376-N380 PolarHBondContact O-N 3.05Å
377	H	78.1	Confident	77.5	Confident	125 Å²	125	107.9 Å²	107.9	58%	0.579	52%	0.517	S	S	*	.	H	α-helix	trans	-64.8	-44	177.4	-160.3	99.8	0	0	0	112	E373 R374 Q375 N380 Q381	E373-H377 WeakPolarHBondContact O-CB 3.45Å; E373-H377 PolarHBondContact O-N 3.34Å; R374-H377 PolarHBondContact O-N 3.46Å; Q375-H377 VanDerWaalsContact C-N 3.34Å; Q375-H377 PolarHBondContact O-N 2.9Å; H377-N380 PolarHBondContact O-N 3.48Å; H377-Q381 WeakPolarHBondContact O-CB 3.43Å; H377-Q381 PolarHBondContact O-N 3.27Å
378	L	78.8	Confident	76.1	Confident	94 Å²	94	108.3 Å²	108.3	49%	0.492	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-41	174.4	-73.8	167.4	0	0	0	112.3	R374 Q375 Q381 Y382	R374-L378 HydrophobicContact CG-CD1 4.08Å; R374-L378 WeakPolarHBondContact O-CB 3.34Å; R374-L378 VanDerWaalsContact O-CG 3.26Å; R374-L378 WeakPolarHBondContact O-CG 3.47Å; R374-L378 PolarHBondContact O-N 3.39Å; Q375-L378 PolarHBondContact O-N 3.37Å; L378-Q381 PolarHBondContact O-N 2.76Å; L378-Y382 WeakPolarHBondContact O-CB 3.44Å; L378-Y382 PolarHBondContact O-N 3.09Å
379	T	81.8	Confident	74.7	Confident	72 Å²	72	112 Å²	112	44%	0.442	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-41.7	175.7	-65.2	0	0	0	0	111.6	Q375 A376 Y382 M383	Q375-T379 WeakPolarHBondContact O-CB 3.39Å; Q375-T379 PolarHBondContact O-N 2.94Å; Q375-T379 PolarHBondContact O-OG1 3.41Å; Q375-T379 VanDerWaalsContact O-OG1 3.1Å; A376-T379 PolarHBondContact O-N 3.4Å; T379-Y382 PolarHBondContact O-N 3.27Å; T379-M383 WeakPolarHBondContact O-CB 3.17Å; T379-M383 PolarHBondContact O-N 3.49Å
380	N	81.4	Confident	73.2	Confident	94 Å²	94	117 Å²	117	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-64.9	-42.5	174.2	-79.6	-6.5	0	0	0	112	A376 H377 Y382 M383 Q384	A376-N380 WeakPolarHBondContact O-CB 3.43Å; A376-N380 PolarHBondContact O-N 3.05Å; H377-N380 PolarHBondContact O-N 3.48Å; N380-Y382 VanDerWaalsContact C-N 3.34Å; N380-Y382 PolarHBondContact O-N 3.36Å; N380-M383 PolarHBondContact O-N 2.92Å; N380-Q384 WeakPolarHBondContact O-CB 3.28Å; N380-Q384 WeakPolarHBondContact O-CG 3.37Å; N380-Q384 PolarHBondContact O-N 2.86Å
381	Q	80.2	Confident	71.7	Confident	93 Å²	93	116.3 Å²	116.3	44%	0.435	57%	0.57	S	S	.	*	H	α-helix	trans	-64.1	-38.4	177.1	-168	179.2	50.1	0	0	112	H377 L378 R385	H377-Q381 WeakPolarHBondContact O-CB 3.43Å; H377-Q381 PolarHBondContact O-N 3.27Å; L378-Q381 PolarHBondContact O-N 2.76Å; Q381-R385 PolarHBondContact O-N 3.17Å; Q381-R385 VanDerWaalsContact O-N 3.15Å
382	Y	76.4	Confident	70	Confident	157 Å²	157	113.4 Å²	113.4	62%	0.616	57%	0.567	S	S	*	*	H	α-helix	trans	-65.3	-44.2	172	-178.4	-95	0	0	0	111.8	L378 T379 N380 Q384 R385 M386	L378-Y382 WeakPolarHBondContact O-CB 3.44Å; L378-Y382 PolarHBondContact O-N 3.09Å; T379-Y382 PolarHBondContact O-N 3.27Å; N380-Y382 VanDerWaalsContact C-N 3.34Å; N380-Y382 PolarHBondContact O-N 3.36Å; Y382-Q384 PolarHBondContact O-N 3.43Å; Y382-R385 PolarHBondContact O-N 2.97Å; Y382-M386 HydrophobicContact CD1-CG 4.14Å; Y382-M386 HydrophobicContact CE1-CG 3.8Å; Y382-M386 HydrophobicContact CE1-SD 4.25Å; Y382-M386 WeakPolarHBondContact O-CG 3.28Å; Y382-M386 PolarHBondContact O-N 2.9Å
383	M	77.6	Confident	68.2	Low	119 Å²	119	112.8 Å²	112.8	59%	0.586	57%	0.574	S	S	*	*	H	α-helix	trans	-64.2	-39.1	177.9	-167.1	-177.3	-61.1	0	0	112.2	T379 N380 M386 A387	T379-M383 WeakPolarHBondContact O-CB 3.17Å; T379-M383 PolarHBondContact O-N 3.49Å; N380-M383 PolarHBondContact O-N 2.92Å; M383-M386 PolarHBondContact O-N 2.75Å; M383-A387 WeakPolarHBondContact O-CB 3.48Å; M383-A387 PolarHBondContact O-N 2.95Å
384	Q	75.9	Confident	66.3	Low	137 Å²	137	114.4 Å²	114.4	64%	0.64	59%	0.586	S	S	*	*	H	α-helix	trans	-64.2	-40	174.3	-76.2	175	-14.3	0	0	112.4	N380 Y382 A387 T388	N380-Q384 WeakPolarHBondContact O-CB 3.28Å; N380-Q384 WeakPolarHBondContact O-CG 3.37Å; N380-Q384 PolarHBondContact O-N 2.86Å; Y382-Q384 PolarHBondContact O-N 3.43Å; Q384-A387 PolarHBondContact O-N 3.26Å; Q384-T388 PolarHBondContact O-N 3.36Å; Q384-T388 PolarHBondContact O-OG1 3.38Å
385	R	71.7	Confident	64.7	Low	175 Å²	175	113.3 Å²	113.3	66%	0.66	60%	0.597	S	S	*	*	H	α-helix	trans	-64.1	-41	171.8	-74.8	-176.6	176.7	-168.1	-0.3	112.2	Q381 Y382 A387 T388 V389	Q381-R385 PolarHBondContact O-N 3.17Å; Q381-R385 VanDerWaalsContact O-N 3.15Å; Y382-R385 PolarHBondContact O-N 2.97Å; R385-A387 VanDerWaalsContact C-N 3.31Å; R385-A387 PolarHBondContact O-N 2.97Å; R385-T388 WeakPolarHBondContact CA-OG1 3.5Å; R385-T388 PolarHBondContact O-N 2.89Å; R385-T388 PolarHBondContact O-OG1 2.94Å; R385-V389 WeakPolarHBondContact O-CG2 3.48Å; R385-V389 PolarHBondContact O-N 3.07Å; R385-V389 VanDerWaalsContact O-N 3.14Å
386	M	61.6	Low	62.6	Low	90 Å²	90	114 Å²	114	44%	0.443	61%	0.608	S	S	.	*	H	α-helix	trans	-65	-33.8	174.4	-69.7	-88.3	82	0	0	112.6	Y382 M383 R390	Y382-M386 HydrophobicContact CD1-CG 4.14Å; Y382-M386 HydrophobicContact CE1-CG 3.8Å; Y382-M386 HydrophobicContact CE1-SD 4.25Å; Y382-M386 WeakPolarHBondContact O-CG 3.28Å; Y382-M386 PolarHBondContact O-N 2.9Å; M383-M386 PolarHBondContact O-N 2.75Å; M386-R390 PolarHBondContact O-N 2.97Å
387	A	60.8	Low	60.4	Low	61 Å²	61	119.2 Å²	119.2	50%	0.504	63%	0.628	S	S	.	*	H	α-helix	trans	-69.5	-40.4	175.5	0	0	0	0	0	112.5	M383 Q384 R385 R390 A391	M383-A387 WeakPolarHBondContact O-CB 3.48Å; M383-A387 PolarHBondContact O-N 2.95Å; Q384-A387 PolarHBondContact O-N 3.26Å; R385-A387 VanDerWaalsContact C-N 3.31Å; R385-A387 PolarHBondContact O-N 2.97Å; A387-R390 PolarHBondContact O-N 2.91Å; A387-A391 PolarHBondContact O-N 2.97Å
388	T	59.3	Low	58.3	Low	99 Å²	99	120.5 Å²	120.5	61%	0.607	64%	0.639	S	S	*	*	H	α-helix	trans	-66.1	-37.9	175.6	16.7	0	0	0	0	112.2	Q384 R385 R390 A391	Q384-T388 PolarHBondContact O-N 3.36Å; Q384-T388 PolarHBondContact O-OG1 3.38Å; R385-T388 WeakPolarHBondContact CA-OG1 3.5Å; R385-T388 PolarHBondContact O-N 2.89Å; R385-T388 PolarHBondContact O-OG1 2.94Å; T388-R390 VanDerWaalsContact C-N 3.26Å; T388-R390 PolarHBondContact O-N 2.9Å; T388-A391 WeakPolarHBondContact O-CB 3.5Å; T388-A391 PolarHBondContact O-N 2.82Å; T388-A391 VanDerWaalsContact O-N 3.09Å
389	V	57.3	Low	56.4	Low	101 Å²	101	120.6 Å²	120.6	61%	0.612	65%	0.646	S	S	*	*	H	α-helix	trans	-68.3	-23.9	175.7	174.7	0	0	0	0	112.6	R385 A391	R385-V389 WeakPolarHBondContact O-CG2 3.48Å; R385-V389 PolarHBondContact O-N 3.07Å; R385-V389 VanDerWaalsContact O-N 3.14Å; V389-A391 VanDerWaalsContact C-N 3.32Å
390	R	51.7	Low	54.1	Low	228 Å²	228	127.9 Å²	127.9	86%	0.86	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-1.4	171.6	-81.6	-174.9	170.3	176.1	-2.1	114.4	M386 A387 T388	M386-R390 PolarHBondContact O-N 2.97Å; A387-R390 PolarHBondContact O-N 2.91Å; T388-R390 VanDerWaalsContact C-N 3.26Å; T388-R390 PolarHBondContact O-N 2.9Å
391	A	44.5	Very low	51.9	Low	70 Å²	70	132.4 Å²	132.4	58%	0.579	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	19.2	-175.1	0	0	0	0	0	114.3	A387 T388 V389 P393	A387-A391 PolarHBondContact O-N 2.97Å; T388-A391 WeakPolarHBondContact O-CB 3.5Å; T388-A391 PolarHBondContact O-N 2.82Å; T388-A391 VanDerWaalsContact O-N 3.09Å; V389-A391 VanDerWaalsContact C-N 3.32Å; A391-P393 WeakPolarHBondContact O-CD 3.32Å
392	V	42.6	Very low	50	Low	117 Å²	117	133.8 Å²	133.8	71%	0.709	70%	0.702	S	S	*	*			trans	-96.1	110	166.8	-79.7	0	0	0	0	110.3
393	P	42.4	Very low	48.2	Very low	114 Å²	114	130.9 Å²	130.9	74%	0.74	71%	0.71	S	S	*	*			trans	-68.3	145	168.5	-14.8	30.4	0	0	0	110.2	A391 P395	A391-P393 WeakPolarHBondContact O-CD 3.32Å; P393-P395 WeakPolarHBondContact O-CD 3.29Å
394	N	37.3	Very low	46.7	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	72%	0.719	S	S	*	*			trans	-59.4	125.2	168.5	-91.3	1.1	0	0	0	109.7	V396	N394-V396 PolarHBondContact O-N 2.94Å
395	P	40.5	Very low	45.1	Very low	113 Å²	113	130.3 Å²	130.3	73%	0.734	73%	0.728	S	S	*	*			trans	-70.5	111.3	166.9	29.1	-31.8	0	0	0	108.6	P393 L397	P393-P395 WeakPolarHBondContact O-CD 3.29Å; P395-L397 PolarHBondContact O-N 3.2Å
396	V	36.7	Very low	43.5	Very low	131 Å²	131	128.2 Å²	128.2	79%	0.794	74%	0.74	S	S	*	*			trans	-71.3	120.9	170.3	177.9	0	0	0	0	107.8	N394 N398	N394-V396 PolarHBondContact O-N 2.94Å; V396-N398 PolarHBondContact O-N 3.22Å
397	L	32.9	Very low	42	Very low	162 Å²	162	126.9 Å²	126.9	85%	0.848	75%	0.749	S	S	*	*			trans	-63.4	124.7	172.6	-91.6	73.5	0	0	0	109.5	P395	P395-L397 PolarHBondContact O-N 3.2Å
398	N	33.7	Very low	40.7	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	77%	0.766	S	S	*	*			trans	-131.9	112.5	164.6	-151.1	61.7	0	0	0	108	V396	V396-N398 PolarHBondContact O-N 3.22Å
399	P	38	Very low	39.3	Very low	97 Å²	97	138.5 Å²	138.5	63%	0.63	78%	0.775	S	S	*	*			trans	-76.6	166.7	-178.8	31.7	-34.5	0	0	0	112
400	Y	34.4	Very low	38	Very low	224 Å²	224	142.6 Å²	142.6	88%	0.878	79%	0.79	S	S	*	*			trans	71.8	95.2	-176	-64.6	-90.7	0	0	0	116.8
401	Q	34.4	Very low	37	Very low	189 Å²	189	136.4 Å²	136.4	88%	0.883	79%	0.787	S	S	*	*				-168.5	162.7	106.8	-101.2	179.7	-16.3	0	0	111.4
402	P	40.1	Very low	36.4	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	80%	0.798	S	S	*	*			trans	-82.9	155.2	-172.9	-10.2	28.2	0	0	0	114.4
403	A	39.4	Very low	35.9	Very low	96 Å²	96	139.9 Å²	139.9	79%	0.793	80%	0.804	S	S	*	*			trans	-81.6	152.6	171.5	0	0	0	0	0	112.7
404	P	44.7	Very low	35.6	Very low	118 Å²	118	140 Å²	140	77%	0.766	81%	0.805	S	S	*	*				-133	-167.1	124.8	44	-33.8	0	0	0	110.6
405	P	43.5	Very low	35.3	Very low	127 Å²	127	142.5 Å²	142.5	83%	0.825	81%	0.812	S	S	*	*				-110.9	164.6	-102.6	20	2	0	0	0	115
406	S	38.7	Very low	34.9	Very low	131 Å²	131	141.4 Å²	141.4	92%	0.916	81%	0.812	S	S	*	*			trans	-67.2	147.2	-175.1	-48.2	0	0	0	0	115.1
407	G	30	Very low	34.6	Very low	61 Å²	61	144.2 Å²	144.2	63%	0.629	82%	0.817	S	S	*	*			trans	-161.9	115.7	163.6	0	0	0	0	0	113.4
408	Y	32.5	Very low	34.6	Very low	219 Å²	219	142.9 Å²	142.9	86%	0.859	81%	0.81	S	S	*	*			trans	45.2	141.6	150.4	-67	-97.3	0	0	0	121
409	F	30.8	Very low	34.4	Very low	185 Å²	185	146.8 Å²	146.8	81%	0.811	81%	0.814	S	S	*	*			cis	-171	148.5	-20.8	-141.9	-100.1	0	0	0	104.8
410	M	29.5	Very low	33.9	Very low	188 Å²	188	146.7 Å²	146.7	93%	0.926	82%	0.821	S	S	*	*			trans	-127.5	122	174.2	-157.5	173.2	-162.6	0	0	111
411	A	29.9	Very low	33.7	Very low	97 Å²	97	139.7 Å²	139.7	80%	0.802	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80	143.3	-176.6	0	0	0	0	0	111.9
412	A	31.7	Very low	33.5	Very low	96 Å²	96	141.7 Å²	141.7	79%	0.793	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-90.7	150.9	-178.7	0	0	0	0	0	112.7
413	I	32.8	Very low	32.9	Very low	164 Å²	164	147 Å²	147	84%	0.841	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-92.8	134.1	165.5	-63.7	177.5	0	0	0	107.6
414	P	35.4	Very low	32.3	Very low	118 Å²	118	148.5 Å²	148.5	77%	0.766	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-81.1	143.6	-166.8	31.2	-36	0	0	0	113.7
415	Q	31.9	Very low	31.4	Very low	203 Å²	203	146.8 Å²	146.8	95%	0.949	82%	0.817	S	S	*	*			trans	-114.7	120.5	160.2	-177.1	178.1	-3.5	0	0	108
416	A	32.4	Very low	30.8	Very low	90 Å²	90	148 Å²	148	74%	0.744	82%	0.816	S	S	*	*			trans	-136.7	121.1	-175	0	0	0	0	0	111.9
417	Q	31	Very low	30.5	Very low	189 Å²	189	150.2 Å²	150.2	88%	0.883	81%	0.813	S	S	*	*			trans	-155.3	124.8	146.5	-127.3	170.1	-3.3	0	0	113.9
418	N	31.2	Very low	30.4	Very low	134 Å²	134	154.8 Å²	154.8	72%	0.717	82%	0.822	S	S	*	*			trans	66	103.2	155.9	-100.7	-23.9	0	0	0	123
419	R	29.9	Very low	30.2	Very low	234 Å²	234	148.3 Å²	148.3	88%	0.883	81%	0.814	S	S	*	*				53.3	135.8	126.9	-65.9	-177	81.8	113.6	0.2	122.3
420	A	27.6	Very low	30.1	Very low	95 Å²	95	148.8 Å²	148.8	79%	0.785	82%	0.818	S	S	*	*			trans	-63.6	176.1	163	0	0	0	0	0	112.6
421	A	30.1	Very low	30.1	Very low	78 Å²	78	147.9 Å²	147.9	65%	0.645	82%	0.816	S	S	*	*			cis	-163.6	-175.7	31.2	0	0	0	0	0	116.1
422	Y	30.6	Very low	30.1	Very low	231 Å²	231	154.3 Å²	154.3	91%	0.906	82%	0.82	S	S	*	*			trans	92.6	141.4	166.5	-66.1	-77.2	0	0	0	119.5
423	Y	28.4	Very low	30.5	Very low	233 Å²	233	155.1 Å²	155.1	91%	0.914	82%	0.817	S	S	*	*			trans	-98.1	150.1	-177.6	-80.3	-99.6	0	0	0	111.4
424	S	25	Very low	30.6	Very low	128 Å²	128	152.6 Å²	152.6	90%	0.895	81%	0.814	S	S	*	*			trans	-157.2	166.1	137.2	-165	0	0	0	0	109.6
425	A	27.7	Very low	31.7	Very low	81 Å²	81	152.8 Å²	152.8	67%	0.669	82%	0.815	S	S	*	*			trans	-120.4	158.5	-170.3	0	0	0	0	0	113.7
426	N	30	Very low	31.5	Very low	152 Å²	152	154 Å²	154	81%	0.813	81%	0.811	S	S	*	*			trans	43.2	115.5	160.7	-68.9	-6.9	0	0	0	119.5
427	Q	32	Very low	31.2	Very low	179 Å²	179	162.2 Å²	162.2	84%	0.836	82%	0.823	S	S	*	*				-165.8	138.9	102.4	-109.3	-179.2	94.7	0	0	116.1
428	L	28.4	Very low	31.1	Very low	156 Å²	156	157.3 Å²	157.3	82%	0.817	82%	0.815	S	S	*	*			trans	61.9	142.1	143.6	-130.3	73.2	0	0	0	124
429	A	27.3	Very low	31	Very low	84 Å²	84	155.9 Å²	155.9	69%	0.694	82%	0.822	S	S	*	*			trans	64.4	95.8	147.2	0	0	0	0	0	120.8
430	Q	29.6	Very low	30.8	Very low	194 Å²	194	154.2 Å²	154.2	91%	0.907	82%	0.824	S	S	*	*			trans	-129.4	140.8	136.5	-89.7	-64.9	-11.2	0	0	109.6
431	L	29.8	Very low	30.9	Very low	169 Å²	169	153.1 Å²	153.1	89%	0.885	82%	0.822	S	S	*	*			trans	-89.8	145.6	-174.3	-84.4	160.5	0	0	0	112.5
432	R	28.9	Very low	30.8	Very low	232 Å²	232	155.6 Å²	155.6	88%	0.875	83%	0.829	S	S	*	*			trans	-80.4	179.3	165.1	-108.9	-170	177.8	-171	1.8	109.7
433	P	40.7	Very low	30.6	Very low	113 Å²	113	155.9 Å²	155.9	73%	0.734	83%	0.828	S	S	*	*			cis	-139.1	-171.6	16.3	31.3	-6.2	0	0	0	117.3
434	S	35.8	Very low	31.5	Very low	112 Å²	112	150.1 Å²	150.1	78%	0.783	82%	0.819	S	S	*	*			trans	-135.5	-171.7	157.8	-39.5	0	0	0	0	106.5
435	P	57.3	Low	31.7	Very low	121 Å²	121	152.5 Å²	152.5	79%	0.786	82%	0.816	S	S	*	*			cis	-137.9	-161.7	-10.1	42.2	-21.5	0	0	0	114.3
436	R	27.3	Very low	31.7	Very low	230 Å²	230	154.5 Å²	154.5	87%	0.868	81%	0.812	S	S	*	*			trans	-22	145.2	168	-64.7	172.2	165.8	175.3	-5.8	120.7
437	W	26.6	Very low	31.6	Very low	262 Å²	262	156.6 Å²	156.6	99%	0.992	81%	0.814	S	S	*	*				-159.3	-170.1	129.5	-97.1	97	0	0	0	109.9
438	A	28.6	Very low	31.4	Very low	85 Å²	85	154.6 Å²	154.6	70%	0.702	80%	0.804	S	S	*	*			trans	-142.9	-176.2	-130.2	0	0	0	0	0	117.8
439	A	29.7	Very low	31.3	Very low	105 Å²	105	154.4 Å²	154.4	87%	0.868	80%	0.804	S	S	*	*			trans	87.1	165.2	158.3	0	0	0	0	0	121.9
440	Q	26.3	Very low	31.3	Very low	198 Å²	198	159 Å²	159	93%	0.925	81%	0.814	S	S	*	*			trans	-77.5	161.8	-153.8	-64.3	164.8	-41.3	0	0	120
441	G	28.6	Very low	31.6	Very low	72 Å²	72	155.9 Å²	155.9	74%	0.742	81%	0.81	S	S	*	*			trans	100.7	157.4	140.9	0	0	0	0	0	119.3
442	V	28.2	Very low	31.4	Very low	130 Å²	130	155 Å²	155	79%	0.788	81%	0.806	S	S	*	*			cis	-160.4	127	-11.9	159	0	0	0	0	111.1
443	R	25.6	Very low	31.5	Very low	237 Å²	237	148 Å²	148	89%	0.894	80%	0.798	S	S	*	*			trans	57.8	175.4	156.5	-80.5	-178.3	172.4	-166	-1.6	120.5
444	P	47.5	Very low	30.8	Very low	112 Å²	112	150.3 Å²	150.3	73%	0.727	80%	0.801	S	S	*	*			cis	-128.6	175.4	-9	24.7	-0.7	0	0	0	117.2
445	Q	30.4	Very low	30.5	Very low	179 Å²	179	155.8 Å²	155.8	84%	0.836	81%	0.805	S	S	*	*			trans	14.6	157.5	146.5	-66.7	-105.9	-32.4	0	0	122.5
446	H	27.3	Very low	30	Very low	123 Å²	123	155.4 Å²	155.4	57%	0.569	80%	0.802	S	S	*	*			cis	178.7	135.7	-20.5	164.3	84.2	0	0	0	107.6
447	F	26.8	Very low	30	Very low	196 Å²	196	149 Å²	149	86%	0.86	79%	0.792	S	S	*	*			trans	-159.6	170.9	155.1	-128.4	-88.7	0	0	0	112.1
448	Q	29.2	Very low	30.3	Very low	137 Å²	137	141 Å²	141	64%	0.64	78%	0.782	S	S	*	*			trans	-104.9	155.9	-159.7	-61.8	177.8	-14.8	0	0	116.2
449	N	26.8	Very low	31	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	78%	0.783	S	S	*	*			trans	42.1	122.6	144.4	-64.9	-2.4	0	0	0	122.1
450	M	26.6	Very low	31.2	Very low	182 Å²	182	148.3 Å²	148.3	90%	0.897	78%	0.783	S	S	*	*				135.9	116.9	112.5	-159.1	156.3	-174.3	0	0	113.4
451	P	35.4	Very low	32	Very low	127 Å²	127	143.6 Å²	143.6	83%	0.825	77%	0.77	S	S	*	*			trans	-98.2	136.3	-173.1	35.6	-32.9	0	0	0	114.4
452	N	26.5	Very low	32	Very low	151 Å²	151	148 Å²	148	81%	0.807	77%	0.771	S	S	*	*			trans	-160.2	176	165.3	-153.6	-3.7	0	0	0	112.7
453	A	31.4	Very low	32	Very low	86 Å²	86	147.5 Å²	147.5	71%	0.711	77%	0.768	S	S	*	*			trans	80.8	125.3	-175	0	0	0	0	0	115.3
454	M	25	Very low	32.1	Very low	160 Å²	160	144.2 Å²	144.2	79%	0.788	76%	0.761	S	S	*	*			cis	84.6	102.6	30.4	-61.9	-163	174.1	0	0	114
455	R	29.9	Very low	31.3	Very low	228 Å²	228	144.7 Å²	144.7	86%	0.86	76%	0.757	S	S	*	*				90.7	167.8	88.4	-98.4	-168.1	168.7	-147.9	-0.1	112.2
456	P	45.9	Very low	31.2	Very low	113 Å²	113	141.5 Å²	141.5	73%	0.734	75%	0.75	S	S	*	*			cis	-124.3	-158.7	8.7	48	-32.5	0	0	0	111.5
457	S	27.1	Very low	31.4	Very low	95 Å²	95	143 Å²	143	66%	0.664	76%	0.761	S	S	*	*			cis	-168.5	145.3	-27.2	37.7	0	0	0	0	112.6
458	A	34.1	Very low	31.7	Very low	94 Å²	94	144.1 Å²	144.1	78%	0.777	76%	0.76	S	S	*	*			trans	70.9	166.5	142.8	0	0	0	0	0	121.1
459	P	42.6	Very low	31.7	Very low	110 Å²	110	139.4 Å²	139.4	71%	0.714	74%	0.744	S	S	*	*			cis	-126.2	147.6	-7.8	18.5	5.3	0	0	0	118
460	R	33.2	Very low	31.9	Very low	233 Å²	233	136.7 Å²	136.7	88%	0.879	73%	0.733	S	S	*	*			trans	77.7	160.9	132.2	-80.6	-173.4	168.6	-169.1	-2.9	122.4
461	P	43.2	Very low	32.3	Very low	100 Å²	100	134.3 Å²	134.3	65%	0.649	73%	0.729	S	S	*	*			cis	-139.9	142.4	-23.5	31.2	-11.3	0	0	0	117.3
462	Q	30.1	Very low	32.4	Very low	164 Å²	164	134.8 Å²	134.8	77%	0.766	73%	0.729	S	S	*	*			trans	63.2	150.3	152.9	-53.2	-65.8	-27.8	0	0	116.9
463	T	27.4	Very low	32.5	Very low	119 Å²	119	132.2 Å²	132.2	73%	0.73	72%	0.719	S	S	*	*			cis	-162.8	157.4	8	4.6	0	0	0	0	106.9
464	F	28.6	Very low	32.2	Very low	168 Å²	168	132.9 Å²	132.9	74%	0.737	71%	0.711	S	S	*	*			cis	-151.4	-117.4	-4.6	-163	-126.8	0	0	0	112.6
465	N	29.7	Very low	32.5	Very low	122 Å²	122	131.2 Å²	131.2	65%	0.652	71%	0.71	S	S	*	*			trans	-147.5	178.3	-162.9	-76.3	-30.7	0	0	0	111.5
466	T	28.4	Very low	32.6	Very low	112 Å²	112	128.6 Å²	128.6	69%	0.687	71%	0.707	S	S	*	*			cis	-176.6	168.7	-33.6	-68.5	0	0	0	0	107.8
467	I	31.6	Very low	32.1	Very low	154 Å²	154	129.2 Å²	129.2	79%	0.79	71%	0.709	S	S	*	*			trans	94.2	139.9	162.1	-47.4	179.8	0	0	0	118.6
468	R	33.1	Very low	32.7	Very low	221 Å²	221	129.8 Å²	129.8	83%	0.834	71%	0.71	S	S	*	*			trans	77.5	119.6	159.5	-112.3	-179.2	-179.4	164	1.4	120.6
469	A	30.4	Very low	32.3	Very low	38 Å²	38	136.6 Å²	136.6	31%	0.314	72%	0.716	S	S	.	*			trans	-158.6	82.3	134.3	0	0	0	0	0	109.6	N474	A469-N474 HydrophobicContact CB-CB 3.66Å; A469-N474 PolarHBondContact O-ND2 2.8Å; A469-N474 VanDerWaalsContact O-ND2 3.14Å
470	T	29.4	Very low	31.4	Very low	94 Å²	94	139.9 Å²	139.9	58%	0.577	72%	0.724	S	S	*	*	S	Bend	trans	-59.5	166	153.7	44.5	0	0	0	0	109.1	T472 T473	T470-T472 CarbonylContact O-C 2.81Å; T470-T472 WeakPolarHBondContact O-CA 3.5Å; T470-T472 PolarHBondContact O-N 3.16Å; T470-T473 PolarHBondContact O-N 2.76Å
471	T	36.4	Very low	31	Very low	132 Å²	132	136.9 Å²	136.9	81%	0.81	72%	0.722	S	S	*	*	S	Bend	trans	-42.8	109.7	159.3	-0.2	0	0	0	0	108.8
472	T	36.3	Very low	30.2	Very low	136 Å²	136	136.6 Å²	136.6	83%	0.834	73%	0.728	S	S	*	*	S	Bend	cis	-58.3	99	3.9	-33.8	0	0	0	0	119.1	T470	T470-T472 CarbonylContact O-C 2.81Å; T470-T472 WeakPolarHBondContact O-CA 3.5Å; T470-T472 PolarHBondContact O-N 3.16Å
473	T	28.6	Very low	30.1	Very low	97 Å²	97	133.4 Å²	133.4	60%	0.595	72%	0.724	S	S	*	*			trans	-77.4	160	-174.3	46.4	0	0	0	0	115	T470	T470-T473 PolarHBondContact O-N 2.76Å
474	N	25.5	Very low	30.2	Very low	101 Å²	101	134.7 Å²	134.7	54%	0.54	72%	0.722	S	S	.	*			cis	76.5	142.5	35.6	-130	3	0	0	0	114.1	A469	A469-N474 HydrophobicContact CB-CB 3.66Å; A469-N474 PolarHBondContact O-ND2 2.8Å; A469-N474 VanDerWaalsContact O-ND2 3.14Å
475	T	31.3	Very low	30.1	Very low	125 Å²	125	136.8 Å²	136.8	77%	0.767	73%	0.725	S	S	*	*			cis	-145.2	169.5	5.9	-37.6	0	0	0	0	110.6
476	Q	31.6	Very low	29.9	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.804	72%	0.722	S	S	*	*			trans	-109.5	137.3	-172.8	-102.2	-173.4	13	0	0	116.2
477	V	34.8	Very low	29.9	Very low	126 Å²	126	142 Å²	142	76%	0.764	73%	0.729	S	S	*	*			trans	32.7	169	146.1	-47.1	0	0	0	0	122.2
478	P	41.2	Very low	29.6	Very low	107 Å²	107	141 Å²	141	70%	0.695	73%	0.73	S	S	*	*			cis	-135.6	-178.3	-4	42.9	-25.2	0	0	0	116.9
479	R	25.7	Very low	29.4	Very low	238 Å²	238	139.5 Å²	139.5	90%	0.898	73%	0.73	S	S	*	*			trans	52.2	112.7	150.6	-80.9	179.7	165.1	172.9	-4.2	121.3
480	M	22.3	Very low	29.3	Very low	178 Å²	178	144 Å²	144	88%	0.877	75%	0.749	S	S	*	*				-170.1	133.1	101.5	-103.1	-162.6	169.6	0	0	109.8
481	M	25.2	Very low	29.3	Very low	170 Å²	170	145.4 Å²	145.4	84%	0.837	75%	0.749	S	S	*	*				62	126.3	93.1	-84.6	-66	-166.6	0	0	116.6
482	A	26.6	Very low	28.8	Very low	94 Å²	94	146.2 Å²	146.2	78%	0.777	75%	0.747	S	S	*	*			trans	62.8	155.8	168.8	0	0	0	0	0	117.5
483	S	28.9	Very low	28.5	Very low	97 Å²	97	143.6 Å²	143.6	68%	0.678	74%	0.735	S	S	*	*			cis	-174.4	160.3	-30.9	61.2	0	0	0	0	109.3
484	Q	28.1	Very low	28.3	Very low	147 Å²	147	146.9 Å²	146.9	69%	0.687	75%	0.748	S	S	*	*			trans	69.9	138.7	161.1	-64.7	-165.3	29.6	0	0	120.5
485	R	27.6	Very low	28.6	Very low	212 Å²	212	147.7 Å²	147.7	80%	0.8	76%	0.756	S	S	*	*			trans	68.9	161.4	149.2	-68.9	162.8	-170.3	-113.9	2.6	119.1
486	M	25	Very low	28.7	Very low	122 Å²	122	149.2 Å²	149.2	60%	0.601	76%	0.759	S	S	*	*			cis	-174.5	112.9	-34.3	-179.6	169.8	-165.4	0	0	110.1
487	R	28.3	Very low	29.9	Very low	220 Å²	220	146.4 Å²	146.4	83%	0.83	76%	0.755	S	S	*	*			trans	63	-179.1	176.1	-54.2	168.4	176.8	167.4	-3.1	111.6
488	V	26.2	Very low	29.5	Very low	133 Å²	133	146 Å²	146	81%	0.806	76%	0.758	S	S	*	*			cis	-143.5	161.6	14.5	-175.1	0	0	0	0	111.2
489	F	28.8	Very low	29.1	Very low	190 Å²	190	145.2 Å²	145.2	83%	0.833	76%	0.761	S	S	*	*			trans	-37.2	156.8	167.6	-105.5	-116.8	0	0	0	120.1
490	N	28.5	Very low	29.3	Very low	133 Å²	133	139.5 Å²	139.5	71%	0.711	75%	0.752	S	S	*	*			trans	-175.8	159	131.8	-114.5	15.1	0	0	0	109.8
491	Q	28.2	Very low	29.7	Very low	123 Å²	123	140 Å²	140	58%	0.575	75%	0.752	S	S	*	*			cis	-162.4	-176.9	-23.2	-126.8	-175.7	67.7	0	0	106.1
492	L	26	Very low	29.9	Very low	149 Å²	149	135.3 Å²	135.3	78%	0.78	74%	0.741	S	S	*	*			cis	-124.1	165.3	7.3	-72.9	84.3	0	0	0	109.4
493	S	29.7	Very low	29.9	Very low	82 Å²	82	139.4 Å²	139.4	57%	0.573	75%	0.749	S	S	*	*			cis	100	80.4	10.2	-55.9	0	0	0	0	117.4
494	L	25.5	Very low	29.8	Very low	165 Å²	165	138.1 Å²	138.1	86%	0.864	75%	0.751	S	S	*	*			trans	-148.4	169.6	163.4	-74	-177.8	0	0	0	108.6
495	V	30.5	Very low	29.8	Very low	119 Å²	119	140.7 Å²	140.7	72%	0.721	76%	0.763	S	S	*	*			cis	168.8	129.3	-43.6	144.7	0	0	0	0	106.4
496	L	34.1	Very low	30	Very low	157 Å²	157	141.2 Å²	141.2	82%	0.822	77%	0.765	S	S	*	*			cis	-146	174.6	-8.2	-127.5	77.6	0	0	0	108.4
497	P	56.3	Low	30.9	Very low	112 Å²	112	141 Å²	141	73%	0.727	77%	0.773	S	S	*	*			trans	-111.6	175.4	-167.1	43.1	-38.7	0	0	0	117.5
498	S	27.5	Very low	31.1	Very low	119 Å²	119	134.8 Å²	134.8	83%	0.832	77%	0.769	S	S	*	*			trans	-161.9	139.4	152.2	-82.5	0	0	0	0	116.4
499	A	32.4	Very low	31.6	Very low	90 Å²	90	134.1 Å²	134.1	74%	0.744	77%	0.769	S	S	*	*			trans	38	153.8	141.3	0	0	0	0	0	123.9
500	T	30.3	Very low	31.7	Very low	117 Å²	117	130 Å²	130	72%	0.718	77%	0.771	S	S	*	*			cis	-173.4	147.9	-15	28.4	0	0	0	0	111
501	Q	30.7	Very low	31.9	Very low	188 Å²	188	129.5 Å²	129.5	88%	0.879	78%	0.778	S	S	*	*			trans	60.1	163.2	152.4	-69.5	-172	61.4	0	0	119.4
502	A	28	Very low	32.3	Very low	73 Å²	73	128 Å²	128	60%	0.603	79%	0.787	S	S	*	*			cis	-166.5	170.3	-26.8	0	0	0	0	0	110.8
503	L	26.6	Very low	32.5	Very low	179 Å²	179	127 Å²	127	94%	0.937	79%	0.787	S	S	*	*			trans	63.9	164	175.9	-85	65.6	0	0	0	116.2
504	G	27.6	Very low	32.5	Very low	71 Å²	71	128.2 Å²	128.2	73%	0.732	80%	0.801	S	S	*	*			cis	-152.9	-167.1	3.2	0	0	0	0	0	113.2
505	Q	28.5	Very low	32.9	Very low	200 Å²	200	124.9 Å²	124.9	94%	0.935	80%	0.798	S	S	*	*			trans	-108.3	175.4	-164.1	-62.8	-170	14.4	0	0	116.9
506	R	31.1	Very low	33.6	Very low	224 Å²	224	124.6 Å²	124.6	85%	0.845	80%	0.798	S	S	*	*			trans	-59.2	165.1	172.2	-56.2	164.3	63	-169.4	4.1	113.7
507	P	43.7	Very low	33.5	Very low	118 Å²	118	122.9 Å²	122.9	77%	0.766	79%	0.794	S	S	*	*			trans	-107.6	165.1	145.9	36.3	-29.7	0	0	0	113.9
508	A	33.9	Very low	32.2	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	81%	0.805	S	S	*	*			trans	-119	-162.9	159.8	0	0	0	0	0	107.2
509	S	35.8	Very low	32.3	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	80%	0.802	S	S	*	*			cis	-172.6	157.5	14.1	44.6	0	0	0	0	110.1
510	A	31	Very low	32.6	Very low	104 Å²	104	134.4 Å²	134.4	86%	0.86	81%	0.81	S	S	*	*			trans	-159.8	159.7	158.5	0	0	0	0	0	111.1
511	S	33.6	Very low	32.9	Very low	123 Å²	123	133.7 Å²	133.7	86%	0.86	81%	0.807	S	S	*	*			trans	-165.5	159.7	-169.9	56.5	0	0	0	0	113
512	A	35.6	Very low	32.8	Very low	92 Å²	92	133.1 Å²	133.1	76%	0.76	80%	0.804	S	S	*	*			cis	-124.4	-114.1	0.2	0	0	0	0	0	112.4
513	T	30.4	Very low	32.8	Very low	128 Å²	128	140.2 Å²	140.2	79%	0.785	82%	0.817	S	S	*	*			cis	-154.3	161.7	7.5	45.9	0	0	0	0	111.5
514	A	29	Very low	32.9	Very low	106 Å²	106	140.8 Å²	140.8	88%	0.876	81%	0.812	S	S	*	*			trans	73.3	157.3	165.1	0	0	0	0	0	119.7
515	A	33.2	Very low	33.1	Very low	95 Å²	95	148.8 Å²	148.8	79%	0.785	82%	0.822	S	S	*	*			trans	-158.3	173.4	-170.5	0	0	0	0	0	108
516	P	45.5	Very low	33.1	Very low	114 Å²	114	144 Å²	144	74%	0.74	82%	0.817	S	S	*	*			cis	-143	162.4	23.3	42.2	-22.3	0	0	0	119.8
517	V	32.2	Very low	33	Very low	121 Å²	121	138.7 Å²	138.7	73%	0.733	82%	0.82	S	S	*	*			trans	24.9	128.9	141.4	-170.9	0	0	0	0	120.8	T519	V517-T519 HydrophobicContact CG1-CG2 4.13Å
518	R	29.8	Very low	32.4	Very low	254 Å²	254	136.4 Å²	136.4	96%	0.958	82%	0.819	S	S	*	*			trans	-134.1	157.9	144.4	-87.6	-167.3	170.6	-166.5	-2.5	111.6
519	T	30.3	Very low	32.2	Very low	124 Å²	124	138.7 Å²	138.7	76%	0.761	82%	0.823	S	S	*	*			trans	-119.9	164.3	-164.9	51.3	0	0	0	0	114	V517	V517-T519 HydrophobicContact CG1-CG2 4.13Å
520	M	37.3	Very low	31.9	Very low	184 Å²	184	145 Å²	145	91%	0.906	83%	0.829	S	S	*	*			trans	-66	156	166.5	-71.8	-175.5	168	0	0	112.8
521	P	37.1	Very low	31.9	Very low	103 Å²	103	146.5 Å²	146.5	67%	0.669	82%	0.823	S	S	*	*			trans	-107.8	131.8	158.3	35	-25.8	0	0	0	112.8	Y523	P521-Y523 HydrophobicContact CB-CE2 4.14Å
522	Q	29	Very low	32	Very low	175 Å²	175	145.9 Å²	145.9	82%	0.818	82%	0.816	S	S	*	*			trans	-89.8	162.1	153.9	-64.6	179.8	-43.5	0	0	109.2
523	Y	27.9	Very low	31.5	Very low	223 Å²	223	149.2 Å²	149.2	88%	0.875	82%	0.815	S	S	*	*			trans	-129.3	151.5	162.1	-85.5	-80.7	0	0	0	112.4	P521	P521-Y523 HydrophobicContact CB-CE2 4.14Å
524	K	28.3	Very low	31.5	Very low	191 Å²	191	149.9 Å²	149.9	83%	0.83	81%	0.81	S	S	*	*			trans	-121.3	161.6	-172	-70	-179.8	177.4	177.3	0	111.4
525	Y	31.9	Very low	31.5	Very low	238 Å²	238	152.8 Å²	152.8	93%	0.933	81%	0.805	S	S	*	*			trans	-68.5	153.3	169.2	-90	-99.4	0	0	0	113.5
526	A	28.9	Very low	31.7	Very low	101 Å²	101	157.4 Å²	157.4	84%	0.835	81%	0.813	S	S	*	*			trans	-148.1	166	157.7	0	0	0	0	0	109.2
527	A	28.3	Very low	30.8	Very low	111 Å²	111	157.2 Å²	157.2	92%	0.917	82%	0.82	S	S	*	*			trans	-147.7	159.4	-170.4	0	0	0	0	0	114.7
528	G	31.6	Very low	31.1	Very low	71 Å²	71	156.9 Å²	156.9	73%	0.732	82%	0.824	S	S	*	*			trans	114.4	151.1	-176.1	0	0	0	0	0	112
529	V	30.1	Very low	31.1	Very low	137 Å²	137	153.7 Å²	153.7	83%	0.83	82%	0.82	S	S	*	*			cis	-150.2	139	9.7	170.3	0	0	0	0	111.3
530	R	28.2	Very low	31.3	Very low	249 Å²	249	153 Å²	153	94%	0.94	82%	0.817	S	S	*	*			trans	40.1	150.9	161	-82.1	-178.2	166.3	163.7	-4.8	123.6
531	N	31.9	Very low	30.9	Very low	137 Å²	137	153.7 Å²	153.7	73%	0.733	82%	0.818	S	S	*	*			trans	-95.3	163.6	179.5	-163.7	61.4	0	0	0	112.4
532	P	35.2	Very low	30.6	Very low	110 Å²	110	155.7 Å²	155.7	71%	0.714	83%	0.828	S	S	*	*				-131.6	171.7	124	38.8	-31.6	0	0	0	114.7
533	Q	25.6	Very low	30.8	Very low	161 Å²	161	151.4 Å²	151.4	75%	0.752	82%	0.822	S	S	*	*			trans	-66.7	169.7	-178.9	-55.6	145.3	-91.8	0	0	111.4
534	Q	30.8	Very low	31.1	Very low	142 Å²	142	149.8 Å²	149.8	66%	0.664	83%	0.825	S	S	*	*			cis	-167.3	177.4	20.7	-153.6	164.8	3.2	0	0	112.5
535	H	29.3	Very low	31.4	Very low	167 Å²	167	149.6 Å²	149.6	77%	0.773	83%	0.827	S	S	*	*			trans	85.8	147.1	161.8	-61.6	110.9	0	0	0	120.1
536	M	35.7	Very low	31.8	Very low	193 Å²	193	144 Å²	144	95%	0.951	81%	0.81	S	S	*	*			trans	-105.5	141.8	-178.1	-63.7	170.2	64.7	0	0	110.8
537	A	27.4	Very low	32.3	Very low	109 Å²	109	144.6 Å²	144.6	90%	0.901	81%	0.805	S	S	*	*			trans	-147.8	144.1	156.8	0	0	0	0	0	109
538	S	37.9	Very low	33	Very low	115 Å²	115	140.8 Å²	140.8	80%	0.804	77%	0.773	S	S	*	*			trans	-111.9	122.7	-169.3	54.9	0	0	0	0	112.9
539	Q	30.4	Very low	33.7	Very low	187 Å²	187	138.2 Å²	138.2	87%	0.874	74%	0.744	S	S	*	*			trans	-172.4	161.9	165.7	-112.7	175.2	42.9	0	0	110.2
540	P	33.8	Very low	34.6	Very low	108 Å²	108	138.6 Å²	138.6	70%	0.701	74%	0.736	S	S	*	*				-123.8	155.2	-60.8	28.8	-11.6	0	0	0	112.2
541	Q	30	Very low	35.7	Very low	199 Å²	199	128.6 Å²	128.6	93%	0.93	70%	0.703	S	S	*	*			trans	-78.5	127.9	169.3	-73.9	-173.7	-55.8	0	0	110.9	A543	Q541-A543 PolarHBondContact O-N 3Å
542	V	31.6	Very low	36	Very low	145 Å²	145	131.8 Å²	131.8	88%	0.879	71%	0.713	S	S	*	*			trans	-81.5	103.7	173.4	-171.2	0	0	0	0	109
543	A	32.3	Very low	36.7	Very low	85 Å²	85	130.6 Å²	130.6	70%	0.702	72%	0.721	S	S	*	*			trans	-75.3	130.4	177.3	0	0	0	0	0	111.4	Q541 Q545	Q541-A543 PolarHBondContact O-N 3Å; A543-Q545 PolarHBondContact O-N 2.72Å
544	M	34.5	Very low	37.8	Very low	190 Å²	190	127.3 Å²	127.3	94%	0.936	71%	0.705	S	S	*	*			trans	-78.9	105.2	178.8	-163.4	175.5	-166.2	0	0	109.8
545	Q	34.5	Very low	38.8	Very low	187 Å²	187	127.8 Å²	127.8	87%	0.874	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-68.2	136.8	-175.8	-66.1	178.7	-5.1	0	0	111.9	A543	A543-Q545 PolarHBondContact O-N 2.72Å
546	Q	40.7	Very low	40.2	Very low	120 Å²	120	122.3 Å²	122.3	56%	0.561	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-87.3	150.9	165	-65.5	-179.2	18.3	0	0	109.3
547	P	39.7	Very low	41.4	Very low	114 Å²	114	113.3 Å²	113.3	74%	0.74	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-59.9	142	171	27.6	-34.7	0	0	0	110.2
548	A	42.2	Very low	43.4	Very low	30 Å²	30	109.6 Å²	109.6	25%	0.248	61%	0.609	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.7	133.7	-177.8	0	0	0	0	0	110	H550 P556 T558	A548-H550 PolarHBondContact O-N 2.95Å; A548-H550 PolarHBondContact O-ND1 3.02Å; A548-P556 HydrophobicContact CB-CB 3.84Å; A548-T558 HydrophobicContact CB-CG2 3.65Å
549	V	47	Very low	44.6	Very low	18 Å²	18	106.7 Å²	106.7	11%	0.109	59%	0.592	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.2	109	-174.6	-172.6	0	0	0	0	109.1	L557 L609 E610	V549-L557 PolarHBondContact N-O 2.95Å; V549-L557 PolarHBondContact O-N 3.06Å; V549-L609 HydrophobicContact CG1-CB 4.13Å; V549-E610 HydrophobicContact CG2-CG 4.01Å
550	H	47.1	Very low	46.3	Very low	144 Å²	144	101.3 Å²	101.3	67%	0.667	58%	0.575	S	S	*	*			trans	-96.4	114.8	179.8	-73.4	75	0	0	0	110.3	A548	A548-H550 PolarHBondContact O-N 2.95Å; A548-H550 PolarHBondContact O-ND1 3.02Å
551	V	52.7	Low	48	Very low	40 Å²	40	100.5 Å²	100.5	24%	0.242	56%	0.563	C	S	.	*			trans	-105.2	133.4	165.7	-177.9	0	0	0	0	106.9	G553 Q554	V551-G553 PolarHBondContact O-N 2.83Å; V551-G553 VanDerWaalsContact O-N 3.12Å; V551-Q554 PolarHBondContact O-N 2.99Å
552	Q	37.9	Very low	49.9	Very low	203 Å²	203	91.3 Å²	91.3	95%	0.949	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	120.6	-178.4	-84.5	-176.4	-30.9	0	0	110.9
553	G	50.2	Low	51.8	Low	85 Å²	85	88.2 Å²	88.2	88%	0.876	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	3.9	176.2	0	0	0	0	0	116.7	V551	V551-G553 PolarHBondContact O-N 2.83Å; V551-G553 VanDerWaalsContact O-N 3.12Å
554	Q	49.3	Very low	54	Low	92 Å²	92	88.2 Å²	88.2	43%	0.43	51%	0.509	S	S	.	.	S	Bend	trans	-136.4	154.2	175.5	-61.8	-170.1	2.8	0	0	113.1	V551	V551-Q554 PolarHBondContact O-N 2.99Å
555	E	50.8	Low	55.9	Low	152 Å²	152	79.9 Å²	79.9	71%	0.71	47%	0.471	S	S	*	.			trans	-59.2	144.2	-178.3	-70.4	-162.8	132.4	0	0	113.1	L557 R577	E555-L557 PolarHBondContact O-N 3.5Å; E555-R577 PolarHBondContact O-NH1 3.35Å; E555-R577 PolarHBondContact O-NH2 2.69Å
556	P	58.1	Low	58.1	Low	53 Å²	53	74.4 Å²	74.4	34%	0.344	45%	0.452	S	S	.	.			trans	-64	118.8	-174.1	25	-34.5	0	0	0	112.6	A548 T558	A548-P556 HydrophobicContact CB-CB 3.84Å; P556-T558 PolarHBondContact O-N 2.71Å
557	L	61.6	Low	59.7	Low	4 Å²	4	73.4 Å²	73.4	2%	0.021	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	113	175.1	-168.3	72.8	0	0	0	108.8	V549 E555 M573 L574 L606	V549-L557 PolarHBondContact N-O 2.95Å; V549-L557 PolarHBondContact O-N 3.06Å; E555-L557 PolarHBondContact O-N 3.5Å; L557-M573 HydrophobicContact CD1-CE 3.81Å; L557-L574 HydrophobicContact CD2-CD2 4.23Å; L557-L606 HydrophobicContact CD2-CD2 4.23Å
558	T	68.8	Low	61.5	Low	31 Å²	31	76.3 Å²	76.3	19%	0.19	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	148.8	172.5	64.2	0	0	0	0	110.8	A548 P556 S560 M561 L562	A548-T558 HydrophobicContact CB-CG2 3.65Å; P556-T558 PolarHBondContact O-N 2.71Å; T558-S560 PolarHBondContact O-N 2.75Å; T558-S560 VanDerWaalsContact O-N 3.17Å; T558-M561 HydrophobicContact CG2-SD 4.45Å; T558-M561 PolarHBondContact O-N 3.14Å; T558-M561 VanDerWaalsContact OG1-CG 3.24Å; T558-M561 WeakPolarHBondContact OG1-CG 3.22Å; T558-M561 PolarHBondContact OG1-N 3.39Å; T558-M561 PolarHBondContact OG1-SD 3.11Å; T558-M561 VanDerWaalsContact OG1-SD 3.38Å; T558-L562 PolarHBondContact O-N 3.23Å
559	A	64	Low	63.3	Low	53 Å²	53	79.8 Å²	79.8	44%	0.438	47%	0.471	S	S	.	.	H	α-helix	trans	-56.6	-30.6	172.9	0	0	0	0	0	112.3	A563	A559-A563 VanDerWaalsContact O-CB 3.23Å; A559-A563 WeakPolarHBondContact O-CB 3.33Å; A559-A563 PolarHBondContact O-N 3.01Å
560	S	66.5	Low	64.9	Low	75 Å²	75	80.6 Å²	80.6	52%	0.524	47%	0.473	S	S	.	.	H	α-helix	trans	-70.7	-29.7	176.4	-165.9	0	0	0	0	114.1	T558	T558-S560 PolarHBondContact O-N 2.75Å; T558-S560 VanDerWaalsContact O-N 3.17Å
561	M	69	Low	66.6	Low	90 Å²	90	77 Å²	77	44%	0.443	46%	0.456	S	S	.	.	H	α-helix	trans	-75.3	-46.6	174.3	-72.2	161.8	74.4	0	0	110.5	T558 A563 A564 A565	T558-M561 HydrophobicContact CG2-SD 4.45Å; T558-M561 PolarHBondContact O-N 3.14Å; T558-M561 VanDerWaalsContact OG1-CG 3.24Å; T558-M561 WeakPolarHBondContact OG1-CG 3.22Å; T558-M561 PolarHBondContact OG1-N 3.39Å; T558-M561 PolarHBondContact OG1-SD 3.11Å; T558-M561 VanDerWaalsContact OG1-SD 3.38Å; M561-A563 VanDerWaalsContact C-N 3.31Å; M561-A563 PolarHBondContact O-N 3.13Å; M561-A564 PolarHBondContact O-N 2.9Å; M561-A564 VanDerWaalsContact O-N 3.09Å; M561-A565 PolarHBondContact O-N 3.1Å
562	L	69.8	Low	68.1	Low	6 Å²	6	80.9 Å²	80.9	3%	0.031	47%	0.471	C	S	.	.	H	α-helix	trans	-61.5	-40.2	178.2	-165.3	74.8	0	0	0	111.5	T558 A564 A565 Q570 M573 L574 L606	T558-L562 PolarHBondContact O-N 3.23Å; L562-A564 PolarHBondContact O-N 3.31Å; L562-A565 PolarHBondContact O-N 2.7Å; L562-Q570 HydrophobicContact CD1-CB 3.81Å; L562-Q570 HydrophobicContact CD1-CG 3.96Å; L562-Q570 HydrophobicContact CG-CB 4.24Å; L562-Q570 HydrophobicContact CG-CG 4.03Å; L562-Q570 VanDerWaalsContact O-CD 3.22Å; L562-Q570 VanDerWaalsContact O-CG 3.23Å; L562-Q570 WeakPolarHBondContact O-CG 3.36Å; L562-Q570 PolarHBondContact O-NE2 3.44Å; L562-Q570 VanDerWaalsContact O-NE2 3.16Å; L562-M573 HydrophobicContact CD1-CB 4.35Å; L562-L574 HydrophobicContact CD1-CG 4.23Å; L562-L574 HydrophobicContact CD2-CD1 4.13Å; L562-L574 HydrophobicContact CD2-CD2 4.25Å; L562-L574 HydrophobicContact CD2-CG 4.3Å; L562-L606 HydrophobicContact CD2-CD1 3.83Å; L562-L606 HydrophobicContact CD2-CD2 4.24Å; L562-L606 HydrophobicContact CD2-CG 4.1Å
563	A	72.2	Confident	70.1	Confident	80 Å²	80	73.9 Å²	73.9	66%	0.661	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.5	177.6	0	0	0	0	0	114.6	A559 M561	A559-A563 VanDerWaalsContact O-CB 3.23Å; A559-A563 WeakPolarHBondContact O-CB 3.33Å; A559-A563 PolarHBondContact O-N 3.01Å; M561-A563 VanDerWaalsContact C-N 3.31Å; M561-A563 PolarHBondContact O-N 3.13Å
564	A	77.3	Confident	71.7	Confident	85 Å²	85	69.9 Å²	69.9	70%	0.702	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-20.6	177.9	0	0	0	0	0	113.4	M561 L562	M561-A564 PolarHBondContact O-N 2.9Å; M561-A564 VanDerWaalsContact O-N 3.09Å; L562-A564 PolarHBondContact O-N 3.31Å
565	A	75.2	Confident	73.4	Confident	16 Å²	16	65.9 Å²	65.9	13%	0.132	38%	0.381	C	S	.	.	S	Bend	trans	-81	151	-178.2	0	0	0	0	0	112.8	M561 L562 E569 Q570 M573	M561-A565 PolarHBondContact O-N 3.1Å; L562-A565 PolarHBondContact O-N 2.7Å; A565-E569 HydrophobicContact CB-CB 4.42Å; A565-E569 HydrophobicContact CB-CG 4.48Å; A565-Q570 HydrophobicContact CB-CG 4Å; A565-Q570 PolarHBondContact O-NE2 3.42Å; A565-M573 HydrophobicContact CB-SD 4.4Å
566	P	80.1	Confident	75.1	Confident	72 Å²	72	63.6 Å²	63.6	47%	0.468	37%	0.37	S	S	.	.			trans	-55.6	147.7	169	-24.7	33.8	0	0	0	113.1	Q568 E569 Q570	P566-Q568 PolarHBondContact O-N 2.88Å; P566-E569 HydrophobicContact CB-CB 4.43Å; P566-E569 VanDerWaalsContact CD-OE2 3.28Å; P566-E569 WeakPolarHBondContact CD-OE2 3.45Å; P566-E569 WeakPolarHBondContact O-CB 3.41Å; P566-E569 PolarHBondContact O-N 3.49Å; P566-Q570 WeakPolarHBondContact O-CG 3.43Å; P566-Q570 PolarHBondContact O-N 3.43Å
567	P	75	Confident	76.2	Confident	99 Å²	99	62.5 Å²	62.5	64%	0.643	36%	0.359	S	S	*	.	H	α-helix	trans	-57.9	-28.5	-173.2	-28	35.7	0	0	0	116	K571	P567-K571 PolarHBondContact O-N 3.4Å
568	Q	76.4	Confident	77.4	Confident	175 Å²	175	62.3 Å²	62.3	82%	0.818	36%	0.358	S	S	*	.	H	α-helix	trans	-75.1	-39.2	177	-171.9	169.8	-5.9	0	0	111.7	P566 K571 Q572	P566-Q568 PolarHBondContact O-N 2.88Å; Q568-K571 PolarHBondContact O-N 3.13Å; Q568-Q572 PolarHBondContact O-N 3.25Å
569	E	80.9	Confident	78.2	Confident	103 Å²	103	64.5 Å²	64.5	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-70.3	-37.7	176.2	-167.1	170.6	175.9	0	0	111	A565 P566 K571 Q572 M573	A565-E569 HydrophobicContact CB-CB 4.42Å; A565-E569 HydrophobicContact CB-CG 4.48Å; P566-E569 HydrophobicContact CB-CB 4.43Å; P566-E569 VanDerWaalsContact CD-OE2 3.28Å; P566-E569 WeakPolarHBondContact CD-OE2 3.45Å; P566-E569 WeakPolarHBondContact O-CB 3.41Å; P566-E569 PolarHBondContact O-N 3.49Å; E569-K571 VanDerWaalsContact C-N 3.28Å; E569-K571 PolarHBondContact O-N 3.25Å; E569-Q572 WeakPolarHBondContact O-CB 3.35Å; E569-Q572 PolarHBondContact O-N 3.08Å; E569-Q572 VanDerWaalsContact O-N 3.09Å; E569-M573 WeakPolarHBondContact O-CG 3.42Å; E569-M573 PolarHBondContact O-N 2.99Å
570	Q	80.8	Confident	79.3	Confident	35 Å²	35	64.9 Å²	64.9	16%	0.164	36%	0.364	C	S	.	.	H	α-helix	trans	-53.5	-43.9	171.4	-68.4	-177.9	24.7	0	0	112.6	L562 A565 P566 M573 L574 N602	L562-Q570 HydrophobicContact CD1-CB 3.81Å; L562-Q570 HydrophobicContact CD1-CG 3.96Å; L562-Q570 HydrophobicContact CG-CB 4.24Å; L562-Q570 HydrophobicContact CG-CG 4.03Å; L562-Q570 VanDerWaalsContact O-CD 3.22Å; L562-Q570 VanDerWaalsContact O-CG 3.23Å; L562-Q570 WeakPolarHBondContact O-CG 3.36Å; L562-Q570 PolarHBondContact O-NE2 3.44Å; L562-Q570 VanDerWaalsContact O-NE2 3.16Å; A565-Q570 HydrophobicContact CB-CG 4Å; A565-Q570 PolarHBondContact O-NE2 3.42Å; P566-Q570 WeakPolarHBondContact O-CG 3.43Å; P566-Q570 PolarHBondContact O-N 3.43Å; Q570-M573 PolarHBondContact O-N 3.29Å; Q570-L574 WeakPolarHBondContact O-CG 3.49Å; Q570-L574 PolarHBondContact O-N 3.34Å; Q570-L574 VanDerWaalsContact O-N 3.09Å; Q570-N602 PolarHBondContact OE1-ND2 3.31Å
571	K	82.1	Confident	80.2	Confident	69 Å²	69	64.3 Å²	64.3	30%	0.3	35%	0.354	S	S	.	.	H	α-helix	trans	-72.4	-31.2	179.1	-70	-164.4	168	-150.2	0	112.4	P567 Q568 E569 G575 L598 E599 I600 N602	P567-K571 PolarHBondContact O-N 3.4Å; Q568-K571 PolarHBondContact O-N 3.13Å; E569-K571 VanDerWaalsContact C-N 3.28Å; E569-K571 PolarHBondContact O-N 3.25Å; K571-G575 PolarHBondContact O-N 2.97Å; K571-L598 WeakPolarHBondContact CD-O 3.36Å; K571-L598 WeakPolarHBondContact CE-O 3.37Å; K571-L598 PolarHBondContact NZ-O 3.36Å; K571-L598 VanDerWaalsContact O-CD2 3.29Å; K571-L598 WeakPolarHBondContact O-CD2 3.42Å; K571-E599 PolarHBondContact NZ-O 3.12Å; K571-I600 PolarHBondContact NZ-O 2.98Å; K571-N602 VanDerWaalsContact CE-OD1 3.28Å; K571-N602 WeakPolarHBondContact CE-OD1 3.29Å
572	Q	84	Confident	81	Confident	121 Å²	121	60 Å²	60	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-64.9	-50.1	170.3	-178	174.7	-18.9	0	0	111.6	Q568 E569 L574 G575 E576	Q568-Q572 PolarHBondContact O-N 3.25Å; E569-Q572 WeakPolarHBondContact O-CB 3.35Å; E569-Q572 PolarHBondContact O-N 3.08Å; E569-Q572 VanDerWaalsContact O-N 3.09Å; Q572-L574 VanDerWaalsContact C-N 3.3Å; Q572-L574 PolarHBondContact O-N 3.25Å; Q572-G575 WeakPolarHBondContact O-CA 3.48Å; Q572-G575 PolarHBondContact O-N 2.97Å; Q572-E576 HydrophobicContact CG-CG 4.48Å; Q572-E576 VanDerWaalsContact CG-OE1 3.27Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.36Å; Q572-E576 PolarHBondContact NE2-OE1 3.4Å; Q572-E576 PolarHBondContact O-N 2.93Å
573	M	79.9	Confident	81.8	Confident	56 Å²	56	64 Å²	64	28%	0.276	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-38.3	179.3	-65.1	-178.4	90.2	0	0	112.7	L557 L562 A565 E569 Q570 R577	L557-M573 HydrophobicContact CD1-CE 3.81Å; L562-M573 HydrophobicContact CD1-CB 4.35Å; A565-M573 HydrophobicContact CB-SD 4.4Å; E569-M573 WeakPolarHBondContact O-CG 3.42Å; E569-M573 PolarHBondContact O-N 2.99Å; Q570-M573 PolarHBondContact O-N 3.29Å; M573-R577 VanDerWaalsContact O-CG 3.31Å; M573-R577 WeakPolarHBondContact O-CG 3.34Å
574	L	84.1	Confident	82.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-69.5	-37.7	173.2	-70.8	170	0	0	0	111.8	L557 L562 Q570 Q572 R577 L578 L598 N602 L605 L606 L609	L557-L574 HydrophobicContact CD2-CD2 4.23Å; L562-L574 HydrophobicContact CD1-CG 4.23Å; L562-L574 HydrophobicContact CD2-CD1 4.13Å; L562-L574 HydrophobicContact CD2-CD2 4.25Å; L562-L574 HydrophobicContact CD2-CG 4.3Å; Q570-L574 WeakPolarHBondContact O-CG 3.49Å; Q570-L574 PolarHBondContact O-N 3.34Å; Q570-L574 VanDerWaalsContact O-N 3.09Å; Q572-L574 VanDerWaalsContact C-N 3.3Å; Q572-L574 PolarHBondContact O-N 3.25Å; L574-R577 PolarHBondContact O-N 2.94Å; L574-L578 WeakPolarHBondContact O-CB 3.48Å; L574-L578 WeakPolarHBondContact O-CG 3.34Å; L574-L578 PolarHBondContact O-N 3.32Å; L574-L598 HydrophobicContact CB-CD2 4.01Å; L574-N602 HydrophobicContact CD1-CB 3.91Å; L574-L605 HydrophobicContact CD1-CB 4.05Å; L574-L605 HydrophobicContact CD1-CD1 4.12Å; L574-L605 HydrophobicContact CD2-CB 4.48Å; L574-L606 HydrophobicContact CD2-CD2 4.02Å; L574-L606 HydrophobicContact CD2-CG 4.26Å; L574-L609 HydrophobicContact CD2-CD1 3.77Å
575	G	84.3	Confident	82.8	Confident	9 Å²	9	66.1 Å²	66.1	9%	0.093	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-45.4	179	0	0	0	0	0	113.1	K571 Q572 R577 L578 F579	K571-G575 PolarHBondContact O-N 2.97Å; Q572-G575 WeakPolarHBondContact O-CA 3.48Å; Q572-G575 PolarHBondContact O-N 2.97Å; G575-R577 PolarHBondContact O-N 3.4Å; G575-L578 PolarHBondContact O-N 3.35Å; G575-F579 VanDerWaalsContact O-CB 3.26Å; G575-F579 WeakPolarHBondContact O-CB 3.43Å; G575-F579 PolarHBondContact O-N 3.17Å
576	E	86.9	Confident	83.3	Confident	103 Å²	103	67.9 Å²	67.9	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-23.6	177.1	-69.6	171.8	-168.9	0	0	112.9	Q572 P580	Q572-E576 HydrophobicContact CG-CG 4.48Å; Q572-E576 VanDerWaalsContact CG-OE1 3.27Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.36Å; Q572-E576 PolarHBondContact NE2-OE1 3.4Å; Q572-E576 PolarHBondContact O-N 2.93Å; E576-P580 VanDerWaalsContact O-CD 3.27Å; E576-P580 WeakPolarHBondContact O-CD 3.44Å
577	R	82.4	Confident	83.6	Confident	30 Å²	30	69.1 Å²	69.1	11%	0.113	35%	0.352	C	S	.	.	H	α-helix	trans	-87.5	-38.1	174.8	-64.6	-71.1	161.2	112.1	0.2	113.5	E555 M573 L574 G575 L609	E555-R577 PolarHBondContact O-NH1 3.35Å; E555-R577 PolarHBondContact O-NH2 2.69Å; M573-R577 VanDerWaalsContact O-CG 3.31Å; M573-R577 WeakPolarHBondContact O-CG 3.34Å; L574-R577 PolarHBondContact O-N 2.94Å; G575-R577 PolarHBondContact O-N 3.4Å; R577-L609 HydrophobicContact CB-CD1 3.95Å; R577-L609 HydrophobicContact CB-CD2 3.88Å
578	L	84.9	Confident	84.1	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-76.9	-40	-179.3	-73.8	166.1	0	0	0	112.1	L574 G575 L581 I582 T594 L598 L605 M608 L609 L615	L574-L578 WeakPolarHBondContact O-CB 3.48Å; L574-L578 WeakPolarHBondContact O-CG 3.34Å; L574-L578 PolarHBondContact O-N 3.32Å; G575-L578 PolarHBondContact O-N 3.35Å; L578-L581 PolarHBondContact O-N 3.23Å; L578-I582 HydrophobicContact CB-CD1 3.9Å; L578-I582 WeakPolarHBondContact O-CD1 3.05Å; L578-I582 VanDerWaalsContact O-CG1 3.26Å; L578-I582 WeakPolarHBondContact O-CG1 3.47Å; L578-I582 PolarHBondContact O-N 3.19Å; L578-T594 HydrophobicContact CB-CG2 4.31Å; L578-L598 HydrophobicContact CD1-CD2 4.34Å; L578-L605 HydrophobicContact CD1-CB 4.43Å; L578-L605 HydrophobicContact CD1-CD2 3.61Å; L578-L605 HydrophobicContact CD1-CG 4.49Å; L578-M608 HydrophobicContact CD2-CE 4.41Å; L578-L609 HydrophobicContact CD2-CD2 3.65Å; L578-L609 HydrophobicContact CD2-CG 3.95Å; L578-L609 HydrophobicContact CG-CD2 3.95Å; L578-L609 HydrophobicContact CG-CG 4.28Å; L578-L615 HydrophobicContact CD2-CD1 3.81Å
579	F	86.9	Confident	84.6	Confident	77 Å²	77	63.3 Å²	63.3	34%	0.338	33%	0.33	S	S	.	.	H	α-helix	trans	-55.2	-47.6	-173.5	-179	-90.6	0	0	0	113.9	G575 L581 I582 Q583 A590 T594	G575-F579 VanDerWaalsContact O-CB 3.26Å; G575-F579 WeakPolarHBondContact O-CB 3.43Å; G575-F579 PolarHBondContact O-N 3.17Å; F579-L581 VanDerWaalsContact C-N 3.35Å; F579-L581 PolarHBondContact O-N 2.91Å; F579-I582 PolarHBondContact O-N 3.43Å; F579-Q583 HydrophobicContact CE1-CB 4.47Å; F579-Q583 VanDerWaalsContact CE1-OE1 3.24Å; F579-Q583 VanDerWaalsContact O-CB 3.22Å; F579-Q583 WeakPolarHBondContact O-CB 3.47Å; F579-Q583 PolarHBondContact O-N 2.83Å; F579-A590 HydrophobicContact CD2-CB 4.45Å; F579-A590 HydrophobicContact CE2-CB 4.04Å; F579-A590 HydrophobicContact CZ-CB 4.43Å; F579-T594 HydrophobicContact CB-CG2 4.14Å
580	P	85.9	Confident	84.7	Confident	62 Å²	62	58.6 Å²	58.6	40%	0.403	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-36.2	-179.9	-20.9	34.2	0	0	0	113.1	E576 Q583 N584	E576-P580 VanDerWaalsContact O-CD 3.27Å; E576-P580 WeakPolarHBondContact O-CD 3.44Å; P580-Q583 PolarHBondContact O-N 2.92Å; P580-N584 PolarHBondContact O-N 2.92Å; P580-N584 VanDerWaalsContact O-N 3.07Å
581	L	85.3	Confident	84.8	Confident	63 Å²	63	59.1 Å²	59.1	33%	0.33	32%	0.324	S	S	.	.	H	α-helix	trans	-67.3	-43.3	178.1	-59.8	175.1	0	0	0	111	L578 F579 N584 L609 L615	L578-L581 PolarHBondContact O-N 3.23Å; F579-L581 VanDerWaalsContact C-N 3.35Å; F579-L581 PolarHBondContact O-N 2.91Å; L581-N584 PolarHBondContact O-N 2.91Å; L581-L609 HydrophobicContact CD1-CD2 3.86Å; L581-L615 HydrophobicContact CB-CD2 3.78Å; L581-L615 HydrophobicContact CD1-CD2 3.94Å
582	I	86.6	Confident	85	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-69.6	-38.1	176.6	-61.3	162.6	0	0	0	110.6	L578 F579 N584 M585 H586 A590 I593 T594 L597 L615 V619	L578-I582 HydrophobicContact CB-CD1 3.9Å; L578-I582 WeakPolarHBondContact O-CD1 3.05Å; L578-I582 VanDerWaalsContact O-CG1 3.26Å; L578-I582 WeakPolarHBondContact O-CG1 3.47Å; L578-I582 PolarHBondContact O-N 3.19Å; F579-I582 PolarHBondContact O-N 3.43Å; I582-N584 VanDerWaalsContact C-N 3.3Å; I582-N584 PolarHBondContact O-N 3.12Å; I582-M585 PolarHBondContact O-N 2.89Å; I582-H586 PolarHBondContact O-N 2.86Å; I582-A590 HydrophobicContact CG2-CB 4.26Å; I582-I593 HydrophobicContact CD1-CG2 4.38Å; I582-I593 HydrophobicContact CG2-CB 3.87Å; I582-I593 HydrophobicContact CG2-CD1 4.28Å; I582-I593 HydrophobicContact CG2-CG2 3.63Å; I582-T594 HydrophobicContact CD1-CG2 4.35Å; I582-T594 WeakPolarHBondContact CD1-OG1 3.3Å; I582-L597 HydrophobicContact CD1-CD1 3.74Å; I582-L597 HydrophobicContact CG1-CD1 4.49Å; I582-L615 HydrophobicContact CG1-CD1 4.27Å; I582-V619 HydrophobicContact CG1-CG2 3.93Å; I582-V619 HydrophobicContact CG2-CG2 4.41Å
583	Q	87.7	Confident	85.1	Confident	89 Å²	89	56.4 Å²	56.4	42%	0.416	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-34.7	177.5	-170	179.6	15.2	0	0	112.3	F579 P580 M585 P587 A590	F579-Q583 HydrophobicContact CE1-CB 4.47Å; F579-Q583 VanDerWaalsContact CE1-OE1 3.24Å; F579-Q583 VanDerWaalsContact O-CB 3.22Å; F579-Q583 WeakPolarHBondContact O-CB 3.47Å; F579-Q583 PolarHBondContact O-N 2.83Å; P580-Q583 PolarHBondContact O-N 2.92Å; Q583-M585 PolarHBondContact O-N 2.79Å; Q583-P587 WeakPolarHBondContact O-CA 3.33Å; Q583-P587 WeakPolarHBondContact O-CD 3.47Å; Q583-P587 VanDerWaalsContact O-CG 3.31Å; Q583-P587 WeakPolarHBondContact O-CG 3.23Å; Q583-A590 HydrophobicContact CB-CB 3.85Å; Q583-A590 HydrophobicContact CG-CB 4.22Å
584	N	85.9	Confident	85.5	Confident	151 Å²	151	54.1 Å²	54.1	81%	0.807	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.7	173.5	-161.6	27.2	0	0	0	113.2	P580 L581 I582	P580-N584 PolarHBondContact O-N 2.92Å; P580-N584 VanDerWaalsContact O-N 3.07Å; L581-N584 PolarHBondContact O-N 2.91Å; I582-N584 VanDerWaalsContact C-N 3.3Å; I582-N584 PolarHBondContact O-N 3.12Å
585	M	84.5	Confident	85.6	Confident	59 Å²	59	56 Å²	56	29%	0.291	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-50	173.3	-68.7	-178.4	53.8	0	0	113.1	I582 Q583 R616 V619	I582-M585 PolarHBondContact O-N 2.89Å; Q583-M585 PolarHBondContact O-N 2.79Å; M585-R616 HydrophobicContact CE-CB 4.21Å; M585-R616 HydrophobicContact CE-CG 3.71Å; M585-R616 HydrophobicContact SD-CG 3.69Å; M585-V619 HydrophobicContact CE-CB 4.02Å; M585-V619 HydrophobicContact CE-CG1 3.68Å; M585-V619 HydrophobicContact SD-CG1 4.39Å
586	H	85.4	Confident	85.6	Confident	53 Å²	53	58.4 Å²	58.4	25%	0.245	33%	0.328	C	S	.	.			trans	-134.5	78.4	-175.6	-64.2	-78.4	0	0	0	111.5	I582 S588 L589 A590 I593 V619	I582-H586 PolarHBondContact O-N 2.86Å; H586-S588 PolarHBondContact O-N 2.64Å; H586-S588 VanDerWaalsContact O-N 3.08Å; H586-L589 PolarHBondContact O-N 3.17Å; H586-L589 VanDerWaalsContact O-N 3.12Å; H586-A590 PolarHBondContact O-N 3.47Å; H586-I593 HydrophobicContact CB-CD1 3.95Å; H586-V619 VanDerWaalsContact CD2-CG1 3.43Å; H586-V619 WeakPolarHBondContact CD2-CG1 3.31Å
587	P	85.9	Confident	85.5	Confident	98 Å²	98	53.7 Å²	53.7	64%	0.636	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.9	-174	-26.7	31.8	0	0	0	114.7	Q583	Q583-P587 WeakPolarHBondContact O-CA 3.33Å; Q583-P587 WeakPolarHBondContact O-CD 3.47Å; Q583-P587 VanDerWaalsContact O-CG 3.31Å; Q583-P587 WeakPolarHBondContact O-CG 3.23Å
588	S	84.9	Confident	85.8	Confident	113 Å²	113	54 Å²	54	79%	0.79	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-18.2	-175.9	54.4	0	0	0	0	115.1	H586	H586-S588 PolarHBondContact O-N 2.64Å; H586-S588 VanDerWaalsContact O-N 3.08Å
589	L	86.4	Confident	85.8	Confident	39 Å²	39	61.7 Å²	61.7	20%	0.204	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-4.6	-176.1	-66.2	178.8	0	0	0	113.5	H586 G591 K592 I593	H586-L589 PolarHBondContact O-N 3.17Å; H586-L589 VanDerWaalsContact O-N 3.12Å; L589-G591 VanDerWaalsContact C-N 3.31Å; L589-G591 PolarHBondContact O-N 3.09Å; L589-G591 VanDerWaalsContact O-N 3.12Å; L589-K592 PolarHBondContact O-N 3.24Å; L589-I593 HydrophobicContact CB-CD1 3.55Å; L589-I593 HydrophobicContact CB-CG1 4.06Å; L589-I593 WeakPolarHBondContact O-CG1 3.23Å; L589-I593 PolarHBondContact O-N 3.38Å
590	A	84.1	Confident	85.7	Confident	3 Å²	3	59.8 Å²	59.8	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-48.1	-45.1	-170.9	0	0	0	0	0	114.7	F579 I582 Q583 H586 I593 T594	F579-A590 HydrophobicContact CD2-CB 4.45Å; F579-A590 HydrophobicContact CE2-CB 4.04Å; F579-A590 HydrophobicContact CZ-CB 4.43Å; I582-A590 HydrophobicContact CG2-CB 4.26Å; Q583-A590 HydrophobicContact CB-CB 3.85Å; Q583-A590 HydrophobicContact CG-CB 4.22Å; H586-A590 PolarHBondContact O-N 3.47Å; A590-I593 PolarHBondContact O-N 3.33Å; A590-T594 VanDerWaalsContact O-CB 3.29Å; A590-T594 WeakPolarHBondContact O-CB 3.48Å; A590-T594 PolarHBondContact O-N 3.41Å; A590-T594 PolarHBondContact O-OG1 3.18Å
591	G	83.8	Confident	85.6	Confident	47 Å²	47	62.6 Å²	62.6	49%	0.485	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-40	178.8	0	0	0	0	0	113.8	L589 G595	L589-G591 VanDerWaalsContact C-N 3.31Å; L589-G591 PolarHBondContact O-N 3.09Å; L589-G591 VanDerWaalsContact O-N 3.12Å; G591-G595 PolarHBondContact O-N 3.08Å
592	K	85.1	Confident	85.4	Confident	132 Å²	132	61 Å²	61	57%	0.574	34%	0.342	S	S	*	.	H	α-helix	trans	-71.7	-43.3	177.7	-67.4	-172.6	177.8	-175.8	0	111.5	L589 G595 M596 L626	L589-K592 PolarHBondContact O-N 3.24Å; K592-G595 PolarHBondContact O-N 3Å; K592-M596 WeakPolarHBondContact O-CG 3.39Å; K592-M596 PolarHBondContact O-N 3.5Å; K592-L626 HydrophobicContact CB-CD1 4Å; K592-L626 HydrophobicContact CB-CD2 4.27Å; K592-L626 HydrophobicContact CD-CD2 4.29Å
593	I	86.5	Confident	85	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.6	-47.1	177	-63.8	164.1	0	0	0	110.1	I582 H586 L589 A590 G595 M596 L597 V619 A622 V623 L626	I582-I593 HydrophobicContact CD1-CG2 4.38Å; I582-I593 HydrophobicContact CG2-CB 3.87Å; I582-I593 HydrophobicContact CG2-CD1 4.28Å; I582-I593 HydrophobicContact CG2-CG2 3.63Å; H586-I593 HydrophobicContact CB-CD1 3.95Å; L589-I593 HydrophobicContact CB-CD1 3.55Å; L589-I593 HydrophobicContact CB-CG1 4.06Å; L589-I593 WeakPolarHBondContact O-CG1 3.23Å; L589-I593 PolarHBondContact O-N 3.38Å; A590-I593 PolarHBondContact O-N 3.33Å; I593-G595 VanDerWaalsContact C-N 3.35Å; I593-G595 PolarHBondContact O-N 3.2Å; I593-M596 PolarHBondContact O-N 3.09Å; I593-L597 HydrophobicContact CG2-CD1 3.77Å; I593-L597 HydrophobicContact CG2-CG 4.28Å; I593-L597 WeakPolarHBondContact O-CB 3.37Å; I593-L597 VanDerWaalsContact O-CG 3.3Å; I593-L597 WeakPolarHBondContact O-CG 3.38Å; I593-L597 PolarHBondContact O-N 3.09Å; I593-V619 HydrophobicContact CD1-CG1 4.42Å; I593-V619 HydrophobicContact CG2-CB 4.47Å; I593-V619 HydrophobicContact CG2-CG1 4.26Å; I593-V619 HydrophobicContact CG2-CG2 4.09Å; I593-A622 HydrophobicContact CG2-CB 4.1Å; I593-V623 HydrophobicContact CD1-CG2 3.59Å; I593-V623 HydrophobicContact CG1-CG2 4.29Å; I593-L626 HydrophobicContact CG1-CD1 3.74Å
594	T	87.8	Confident	84.7	Confident	8 Å²	8	64.9 Å²	64.9	5%	0.049	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-44.4	176.7	-50.5	0	0	0	0	110.8	L578 F579 I582 A590 M596 L597 L598	L578-T594 HydrophobicContact CB-CG2 4.31Å; F579-T594 HydrophobicContact CB-CG2 4.14Å; I582-T594 HydrophobicContact CD1-CG2 4.35Å; I582-T594 WeakPolarHBondContact CD1-OG1 3.3Å; A590-T594 VanDerWaalsContact O-CB 3.29Å; A590-T594 WeakPolarHBondContact O-CB 3.48Å; A590-T594 PolarHBondContact O-N 3.41Å; A590-T594 PolarHBondContact O-OG1 3.18Å; T594-M596 PolarHBondContact O-N 3.28Å; T594-L597 PolarHBondContact O-N 3.29Å; T594-L598 HydrophobicContact CG2-CD1 4.13Å; T594-L598 HydrophobicContact CG2-CG 4.32Å; T594-L598 WeakPolarHBondContact O-CB 3.49Å; T594-L598 VanDerWaalsContact O-CG 3.27Å; T594-L598 WeakPolarHBondContact O-CG 3.47Å; T594-L598 PolarHBondContact O-N 2.9Å
595	G	86.6	Confident	84.5	Confident	39 Å²	39	57.7 Å²	57.7	40%	0.402	33%	0.332	S	S	.	.	H	α-helix	trans	-56.8	-46.5	175.9	0	0	0	0	0	113.3	G591 K592 I593 L598	G591-G595 PolarHBondContact O-N 3.08Å; K592-G595 PolarHBondContact O-N 3Å; I593-G595 VanDerWaalsContact C-N 3.35Å; I593-G595 PolarHBondContact O-N 3.2Å; G595-L598 PolarHBondContact O-N 3.4Å
596	M	83.8	Confident	84.3	Confident	61 Å²	61	56.4 Å²	56.4	30%	0.3	33%	0.326	S	S	.	.	H	α-helix	trans	-66.5	-42.3	176.6	-71.1	172.7	63.4	0	0	112.8	K592 I593 T594 L598 E599 A622 V625 L626	K592-M596 WeakPolarHBondContact O-CG 3.39Å; K592-M596 PolarHBondContact O-N 3.5Å; I593-M596 PolarHBondContact O-N 3.09Å; T594-M596 PolarHBondContact O-N 3.28Å; M596-L598 VanDerWaalsContact C-N 3.28Å; M596-L598 PolarHBondContact O-N 3.5Å; M596-E599 WeakPolarHBondContact O-CB 3.36Å; M596-E599 PolarHBondContact O-N 2.9Å; M596-E599 VanDerWaalsContact O-N 3.1Å; M596-A622 HydrophobicContact CE-CB 4.37Å; M596-V625 HydrophobicContact CE-CB 4.04Å; M596-V625 HydrophobicContact CE-CG1 3.73Å; M596-L626 HydrophobicContact CE-CG 4.49Å; M596-L626 HydrophobicContact SD-CD1 4Å; M596-L626 HydrophobicContact SD-CD2 3.65Å; M596-L626 HydrophobicContact SD-CG 3.62Å
597	L	85.4	Confident	84.1	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-33.9	177.7	-67.1	175.4	0	0	0	111.1	I582 I593 T594 E599 I600 L605 M608 L615 K618 V619	I582-L597 HydrophobicContact CD1-CD1 3.74Å; I582-L597 HydrophobicContact CG1-CD1 4.49Å; I593-L597 HydrophobicContact CG2-CD1 3.77Å; I593-L597 HydrophobicContact CG2-CG 4.28Å; I593-L597 WeakPolarHBondContact O-CB 3.37Å; I593-L597 VanDerWaalsContact O-CG 3.3Å; I593-L597 WeakPolarHBondContact O-CG 3.38Å; I593-L597 PolarHBondContact O-N 3.09Å; T594-L597 PolarHBondContact O-N 3.29Å; L597-E599 PolarHBondContact O-N 3.39Å; L597-E599 VanDerWaalsContact O-N 3.13Å; L597-I600 HydrophobicContact CD2-CD1 3.67Å; L597-I600 WeakPolarHBondContact O-CB 3.22Å; L597-I600 WeakPolarHBondContact O-CG1 3.49Å; L597-I600 PolarHBondContact O-N 2.99Å; L597-L605 HydrophobicContact CB-CD2 4.24Å; L597-L605 WeakPolarHBondContact O-CD2 3.3Å; L597-M608 HydrophobicContact CB-CE 4.38Å; L597-M608 HydrophobicContact CD1-CE 3.89Å; L597-M608 HydrophobicContact CD2-CE 4Å; L597-M608 HydrophobicContact CG-CE 4.31Å; L597-L615 HydrophobicContact CD1-CD1 4.44Å; L597-K618 HydrophobicContact CD2-CB 4.01Å; L597-V619 HydrophobicContact CD1-CG2 3.94Å
598	L	87.6	Confident	83.8	Confident	35 Å²	35	53.9 Å²	53.9	18%	0.183	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.1	172.9	-72.3	176.9	0	0	0	114.5	K571 L574 L578 T594 G595 M596 I600 L605	K571-L598 WeakPolarHBondContact CD-O 3.36Å; K571-L598 WeakPolarHBondContact CE-O 3.37Å; K571-L598 PolarHBondContact NZ-O 3.36Å; K571-L598 VanDerWaalsContact O-CD2 3.29Å; K571-L598 WeakPolarHBondContact O-CD2 3.42Å; L574-L598 HydrophobicContact CB-CD2 4.01Å; L578-L598 HydrophobicContact CD1-CD2 4.34Å; T594-L598 HydrophobicContact CG2-CD1 4.13Å; T594-L598 HydrophobicContact CG2-CG 4.32Å; T594-L598 WeakPolarHBondContact O-CB 3.49Å; T594-L598 VanDerWaalsContact O-CG 3.27Å; T594-L598 WeakPolarHBondContact O-CG 3.47Å; T594-L598 PolarHBondContact O-N 2.9Å; G595-L598 PolarHBondContact O-N 3.4Å; M596-L598 VanDerWaalsContact C-N 3.28Å; M596-L598 PolarHBondContact O-N 3.5Å; L598-I600 VanDerWaalsContact C-N 3.35Å; L598-L605 HydrophobicContact CD2-CD1 4.3Å
599	E	85.3	Confident	83.6	Confident	163 Å²	163	49.6 Å²	49.6	76%	0.762	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.2	168.2	-60	-165.7	158.6	0	0	112.7	K571 M596 L597	K571-E599 PolarHBondContact NZ-O 3.12Å; M596-E599 WeakPolarHBondContact O-CB 3.36Å; M596-E599 PolarHBondContact O-N 2.9Å; M596-E599 VanDerWaalsContact O-N 3.1Å; L597-E599 PolarHBondContact O-N 3.39Å; L597-E599 VanDerWaalsContact O-N 3.13Å
600	I	85.1	Confident	83.3	Confident	37 Å²	37	53.6 Å²	53.6	19%	0.19	29%	0.291	C	S	.	.	S	Bend	trans	-68.2	160.9	179.7	-56.2	175.3	0	0	0	111.3	K571 L597 L598 E604 L605 K618	K571-I600 PolarHBondContact NZ-O 2.98Å; L597-I600 HydrophobicContact CD2-CD1 3.67Å; L597-I600 WeakPolarHBondContact O-CB 3.22Å; L597-I600 WeakPolarHBondContact O-CG1 3.49Å; L597-I600 PolarHBondContact O-N 2.99Å; L598-I600 VanDerWaalsContact C-N 3.35Å; I600-E604 HydrophobicContact CG2-CB 3.84Å; I600-E604 HydrophobicContact CG2-CG 3.98Å; I600-L605 HydrophobicContact CB-CD1 4.47Å; I600-L605 HydrophobicContact CB-CD2 4.35Å; I600-L605 HydrophobicContact CB-CG 4.25Å; I600-L605 WeakPolarHBondContact O-CD1 3.32Å; I600-K618 HydrophobicContact CD1-CD 4.34Å
601	D	83.8	Confident	83.3	Confident	120 Å²	120	55 Å²	55	64%	0.642	30%	0.301	S	S	*	.			trans	-60.3	134.4	174.2	-81.1	-46	0	0	0	112.5	S603 E604 L605	D601-S603 PolarHBondContact O-N 2.96Å; D601-E604 PolarHBondContact O-N 3.35Å; D601-L605 PolarHBondContact O-N 2.97Å; D601-L605 VanDerWaalsContact O-N 3.14Å
602	N	80.7	Confident	83	Confident	30 Å²	30	57 Å²	57	16%	0.16	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-24.9	-175.6	-65.1	2.9	0	0	0	113.6	Q570 K571 L574 L606	Q570-N602 PolarHBondContact OE1-ND2 3.31Å; K571-N602 VanDerWaalsContact CE-OD1 3.28Å; K571-N602 WeakPolarHBondContact CE-OD1 3.29Å; L574-N602 HydrophobicContact CD1-CB 3.91Å; N602-L606 WeakPolarHBondContact O-CG 3.27Å; N602-L606 PolarHBondContact O-N 3.2Å; N602-L606 VanDerWaalsContact O-N 3.08Å
603	S	79.1	Confident	82.8	Confident	90 Å²	90	58.1 Å²	58.1	63%	0.629	31%	0.313	S	S	*	.	H	α-helix	trans	-75.5	-31.5	175.6	49.9	0	0	0	0	113.9	D601 H607	D601-S603 PolarHBondContact O-N 2.96Å; S603-H607 PolarHBondContact O-N 2.92Å
604	E	80.6	Confident	82.8	Confident	80 Å²	80	59.5 Å²	59.5	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-77.4	-35.6	173.9	-174.9	170	162.4	0	0	110.1	I600 D601 L606 H607 M608 K618	I600-E604 HydrophobicContact CG2-CB 3.84Å; I600-E604 HydrophobicContact CG2-CG 3.98Å; D601-E604 PolarHBondContact O-N 3.35Å; E604-L606 PolarHBondContact O-N 2.9Å; E604-H607 WeakPolarHBondContact O-CB 3.49Å; E604-H607 PolarHBondContact O-N 3.05Å; E604-M608 HydrophobicContact CG-SD 4.47Å; E604-M608 WeakPolarHBondContact O-CG 3.33Å; E604-M608 PolarHBondContact O-N 2.88Å; E604-K618 VanDerWaalsContact OE1-CE 3.29Å; E604-K618 WeakPolarHBondContact OE1-CE 3.27Å; E604-K618 IonicContact OE1-NZ 2.82Å
605	L	82.5	Confident	82.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-37.7	172.7	-67.4	167	0	0	0	113	L574 L578 L597 L598 I600 D601 M608 L609	L574-L605 HydrophobicContact CD1-CB 4.05Å; L574-L605 HydrophobicContact CD1-CD1 4.12Å; L574-L605 HydrophobicContact CD2-CB 4.48Å; L578-L605 HydrophobicContact CD1-CB 4.43Å; L578-L605 HydrophobicContact CD1-CD2 3.61Å; L578-L605 HydrophobicContact CD1-CG 4.49Å; L597-L605 HydrophobicContact CB-CD2 4.24Å; L597-L605 WeakPolarHBondContact O-CD2 3.3Å; L598-L605 HydrophobicContact CD2-CD1 4.3Å; I600-L605 HydrophobicContact CB-CD1 4.47Å; I600-L605 HydrophobicContact CB-CD2 4.35Å; I600-L605 HydrophobicContact CB-CG 4.25Å; I600-L605 WeakPolarHBondContact O-CD1 3.32Å; D601-L605 PolarHBondContact O-N 2.97Å; D601-L605 VanDerWaalsContact O-N 3.14Å; L605-M608 HydrophobicContact CD2-CE 3.9Å; L605-M608 HydrophobicContact CD2-SD 4.01Å; L605-M608 PolarHBondContact O-N 3.45Å; L605-L609 WeakPolarHBondContact O-CG 3.45Å; L605-L609 PolarHBondContact O-N 3.16Å; L605-L609 VanDerWaalsContact O-N 3.12Å
606	L	81	Confident	82.7	Confident	32 Å²	32	64.9 Å²	64.9	17%	0.168	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-44.1	169.8	-78.1	171.9	0	0	0	111.9	L557 L562 L574 N602 E604 M608 L609 E610	L557-L606 HydrophobicContact CD2-CD2 4.23Å; L562-L606 HydrophobicContact CD2-CD1 3.83Å; L562-L606 HydrophobicContact CD2-CD2 4.24Å; L562-L606 HydrophobicContact CD2-CG 4.1Å; L574-L606 HydrophobicContact CD2-CD2 4.02Å; L574-L606 HydrophobicContact CD2-CG 4.26Å; N602-L606 WeakPolarHBondContact O-CG 3.27Å; N602-L606 PolarHBondContact O-N 3.2Å; N602-L606 VanDerWaalsContact O-N 3.08Å; E604-L606 PolarHBondContact O-N 2.9Å; L606-M608 VanDerWaalsContact C-N 3.29Å; L606-M608 PolarHBondContact O-N 3.49Å; L606-L609 WeakPolarHBondContact O-CB 3.48Å; L606-L609 PolarHBondContact O-N 3.44Å; L606-L609 VanDerWaalsContact O-N 3.07Å; L606-E610 PolarHBondContact O-N 3Å
607	H	79.5	Confident	82.9	Confident	98 Å²	98	65.6 Å²	65.6	45%	0.454	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-34.2	176.4	-176.9	-90.4	0	0	0	112.7	S603 E604 L609 E610 S611 S614	S603-H607 PolarHBondContact O-N 2.92Å; E604-H607 WeakPolarHBondContact O-CB 3.49Å; E604-H607 PolarHBondContact O-N 3.05Å; H607-L609 VanDerWaalsContact C-N 3.35Å; H607-E610 PolarHBondContact O-N 2.67Å; H607-S611 WeakPolarHBondContact O-CB 3.29Å; H607-S611 PolarHBondContact O-N 2.84Å; H607-S614 PolarHBondContact ND1-OG 2.77Å
608	M	80.6	Confident	82.9	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-32.3	172.2	-71.2	160.5	51.7	0	0	112.7	L578 L597 E604 L605 L606 S611 L615 K618	L578-M608 HydrophobicContact CD2-CE 4.41Å; L597-M608 HydrophobicContact CB-CE 4.38Å; L597-M608 HydrophobicContact CD1-CE 3.89Å; L597-M608 HydrophobicContact CD2-CE 4Å; L597-M608 HydrophobicContact CG-CE 4.31Å; E604-M608 HydrophobicContact CG-SD 4.47Å; E604-M608 WeakPolarHBondContact O-CG 3.33Å; E604-M608 PolarHBondContact O-N 2.88Å; L605-M608 HydrophobicContact CD2-CE 3.9Å; L605-M608 HydrophobicContact CD2-SD 4.01Å; L605-M608 PolarHBondContact O-N 3.45Å; L606-M608 VanDerWaalsContact C-N 3.29Å; L606-M608 PolarHBondContact O-N 3.49Å; M608-S611 CarbonylContact O-C 3.58Å; M608-S611 VanDerWaalsContact O-O 3.09Å; M608-L615 HydrophobicContact CB-CB 4.29Å; M608-L615 HydrophobicContact CB-CD1 4.37Å; M608-L615 HydrophobicContact CE-CD1 3.66Å; M608-K618 HydrophobicContact CE-CB 4.07Å; M608-K618 HydrophobicContact SD-CB 4.23Å; M608-K618 HydrophobicContact SD-CG 4.09Å
609	L	79.7	Confident	82.9	Confident	23 Å²	23	66.1 Å²	66.1	12%	0.12	34%	0.342	C	S	.	.	H	α-helix	trans	-74.1	-26.4	172.7	-70.2	170.1	0	0	0	112.6	V549 L574 R577 L578 L581 L605 L606 H607	V549-L609 HydrophobicContact CG1-CB 4.13Å; L574-L609 HydrophobicContact CD2-CD1 3.77Å; R577-L609 HydrophobicContact CB-CD1 3.95Å; R577-L609 HydrophobicContact CB-CD2 3.88Å; L578-L609 HydrophobicContact CD2-CD2 3.65Å; L578-L609 HydrophobicContact CD2-CG 3.95Å; L578-L609 HydrophobicContact CG-CD2 3.95Å; L578-L609 HydrophobicContact CG-CG 4.28Å; L581-L609 HydrophobicContact CD1-CD2 3.86Å; L605-L609 WeakPolarHBondContact O-CG 3.45Å; L605-L609 PolarHBondContact O-N 3.16Å; L605-L609 VanDerWaalsContact O-N 3.12Å; L606-L609 WeakPolarHBondContact O-CB 3.48Å; L606-L609 PolarHBondContact O-N 3.44Å; L606-L609 VanDerWaalsContact O-N 3.07Å; H607-L609 VanDerWaalsContact C-N 3.35Å
610	E	80.7	Confident	83	Confident	122 Å²	122	62.5 Å²	62.5	57%	0.57	33%	0.328	S	S	*	.	H	α-helix	trans	-82	-28	173.1	-68.8	179.4	171.2	0	0	113.3	V549 L606 H607	V549-E610 HydrophobicContact CG2-CG 4.01Å; L606-E610 PolarHBondContact O-N 3Å; H607-E610 PolarHBondContact O-N 2.67Å
611	S	83.5	Confident	83.2	Confident	32 Å²	32	65.5 Å²	65.5	22%	0.224	34%	0.341	C	S	.	.			trans	-123.5	105.3	-176.5	178.1	0	0	0	0	112.4	H607 M608 E613 S614 L615	H607-S611 WeakPolarHBondContact O-CB 3.29Å; H607-S611 PolarHBondContact O-N 2.84Å; M608-S611 CarbonylContact O-C 3.58Å; M608-S611 VanDerWaalsContact O-O 3.09Å; S611-E613 PolarHBondContact O-N 3.5Å; S611-S614 WeakPolarHBondContact O-CB 3.47Å; S611-S614 PolarHBondContact O-N 2.99Å; S611-S614 VanDerWaalsContact O-N 3.11Å; S611-S614 WeakPolarHBondContact OG-CB 3.49Å; S611-S614 PolarHBondContact OG-N 3.12Å; S611-L615 PolarHBondContact O-N 2.96Å
612	P	79	Confident	83.4	Confident	91 Å²	91	60.1 Å²	60.1	59%	0.591	31%	0.313	S	S	*	.	H	α-helix	trans	-66.3	-23.4	179.9	27.1	-34.7	0	0	0	113.1	R616	P612-R616 WeakPolarHBondContact O-CB 3.49Å; P612-R616 VanDerWaalsContact O-CG 3.22Å; P612-R616 WeakPolarHBondContact O-CG 3.43Å; P612-R616 PolarHBondContact O-N 3.08Å
613	E	81.1	Confident	83.8	Confident	154 Å²	154	59.4 Å²	59.4	72%	0.72	31%	0.31	S	S	*	.	H	α-helix	trans	-72.6	-41.6	172.8	-62.4	-178.1	159.4	0	0	111.3	S611 L615 R616 S617	S611-E613 PolarHBondContact O-N 3.5Å; E613-L615 VanDerWaalsContact C-N 3.32Å; E613-L615 PolarHBondContact O-N 2.87Å; E613-R616 PolarHBondContact O-N 3.32Å; E613-S617 PolarHBondContact O-N 2.68Å
614	S	85.1	Confident	84.2	Confident	30 Å²	30	57.8 Å²	57.8	21%	0.21	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-38.6	173.5	-168.5	0	0	0	0	111.8	H607 S611 K618	H607-S614 PolarHBondContact ND1-OG 2.77Å; S611-S614 WeakPolarHBondContact O-CB 3.47Å; S611-S614 PolarHBondContact O-N 2.99Å; S611-S614 VanDerWaalsContact O-N 3.11Å; S611-S614 WeakPolarHBondContact OG-CB 3.49Å; S611-S614 PolarHBondContact OG-N 3.12Å; S614-K618 PolarHBondContact O-N 3.38Å
615	L	86.4	Confident	84.6	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-48.4	173.4	179.4	58.1	0	0	0	111.3	L578 L581 I582 L597 M608 S611 E613 S617 K618 V619	L578-L615 HydrophobicContact CD2-CD1 3.81Å; L581-L615 HydrophobicContact CB-CD2 3.78Å; L581-L615 HydrophobicContact CD1-CD2 3.94Å; I582-L615 HydrophobicContact CG1-CD1 4.27Å; L597-L615 HydrophobicContact CD1-CD1 4.44Å; M608-L615 HydrophobicContact CB-CB 4.29Å; M608-L615 HydrophobicContact CB-CD1 4.37Å; M608-L615 HydrophobicContact CE-CD1 3.66Å; S611-L615 PolarHBondContact O-N 2.96Å; E613-L615 VanDerWaalsContact C-N 3.32Å; E613-L615 PolarHBondContact O-N 2.87Å; L615-S617 PolarHBondContact O-N 2.82Å; L615-K618 PolarHBondContact O-N 2.98Å; L615-V619 HydrophobicContact CD1-CG2 3.96Å; L615-V619 HydrophobicContact CG-CG2 4.3Å; L615-V619 VanDerWaalsContact O-CG2 3.32Å; L615-V619 WeakPolarHBondContact O-CG2 3.49Å; L615-V619 PolarHBondContact O-N 3.23Å
616	R	86.8	Confident	84.7	Confident	151 Å²	151	58.8 Å²	58.8	57%	0.57	31%	0.312	S	S	*	.	H	α-helix	trans	-55.6	-54.1	179.4	-79.3	168.5	176	-162.5	-2.2	112.1	M585 P612 E613 K618 V619 D620	M585-R616 HydrophobicContact CE-CB 4.21Å; M585-R616 HydrophobicContact CE-CG 3.71Å; M585-R616 HydrophobicContact SD-CG 3.69Å; P612-R616 WeakPolarHBondContact O-CB 3.49Å; P612-R616 VanDerWaalsContact O-CG 3.22Å; P612-R616 WeakPolarHBondContact O-CG 3.43Å; P612-R616 PolarHBondContact O-N 3.08Å; E613-R616 PolarHBondContact O-N 3.32Å; R616-K618 PolarHBondContact O-N 2.89Å; R616-K618 VanDerWaalsContact O-N 3.16Å; R616-V619 WeakPolarHBondContact O-CB 3.24Å; R616-V619 PolarHBondContact O-N 3.23Å; R616-D620 PolarHBondContact O-N 3.04Å
617	S	88.4	Confident	84.9	Confident	76 Å²	76	63 Å²	63	53%	0.531	33%	0.331	S	S	.	.	H	α-helix	trans	-58.2	-32.9	180	-177.9	0	0	0	0	113.3	E613 L615 E621	E613-S617 PolarHBondContact O-N 2.68Å; L615-S617 PolarHBondContact O-N 2.82Å; S617-E621 PolarHBondContact O-N 3.06Å
618	K	85.2	Confident	85.2	Confident	51 Å²	51	61.4 Å²	61.4	22%	0.222	34%	0.335	C	S	.	.	H	α-helix	trans	-79.6	-32	177.2	-80.7	-75	168.7	-163.4	0	113.2	L597 I600 E604 M608 S614 L615 R616 E621 A622	L597-K618 HydrophobicContact CD2-CB 4.01Å; I600-K618 HydrophobicContact CD1-CD 4.34Å; E604-K618 VanDerWaalsContact OE1-CE 3.29Å; E604-K618 WeakPolarHBondContact OE1-CE 3.27Å; E604-K618 IonicContact OE1-NZ 2.82Å; M608-K618 HydrophobicContact CE-CB 4.07Å; M608-K618 HydrophobicContact SD-CB 4.23Å; M608-K618 HydrophobicContact SD-CG 4.09Å; S614-K618 PolarHBondContact O-N 3.38Å; L615-K618 PolarHBondContact O-N 2.98Å; R616-K618 PolarHBondContact O-N 2.89Å; R616-K618 VanDerWaalsContact O-N 3.16Å; K618-E621 WeakPolarHBondContact CD-OE2 3.2Å; K618-E621 WeakPolarHBondContact CE-OE2 3.49Å; K618-E621 IonicContact NZ-OE1 3.03Å; K618-E621 IonicContact NZ-OE2 3.31Å; K618-E621 PolarHBondContact NZ-OE2 3.01Å; K618-A622 WeakPolarHBondContact O-CB 3.34Å; K618-A622 PolarHBondContact O-N 3.03Å; K618-A622 VanDerWaalsContact O-N 3.08Å
619	V	87.8	Confident	85.3	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-66	-43.7	171.5	167.8	0	0	0	0	110.6	I582 M585 H586 I593 L597 L615 R616 E621 A622 V623	I582-V619 HydrophobicContact CG1-CG2 3.93Å; I582-V619 HydrophobicContact CG2-CG2 4.41Å; M585-V619 HydrophobicContact CE-CB 4.02Å; M585-V619 HydrophobicContact CE-CG1 3.68Å; M585-V619 HydrophobicContact SD-CG1 4.39Å; H586-V619 VanDerWaalsContact CD2-CG1 3.43Å; H586-V619 WeakPolarHBondContact CD2-CG1 3.31Å; I593-V619 HydrophobicContact CD1-CG1 4.42Å; I593-V619 HydrophobicContact CG2-CB 4.47Å; I593-V619 HydrophobicContact CG2-CG1 4.26Å; I593-V619 HydrophobicContact CG2-CG2 4.09Å; L597-V619 HydrophobicContact CD1-CG2 3.94Å; L615-V619 HydrophobicContact CD1-CG2 3.96Å; L615-V619 HydrophobicContact CG-CG2 4.3Å; L615-V619 VanDerWaalsContact O-CG2 3.32Å; L615-V619 WeakPolarHBondContact O-CG2 3.49Å; L615-V619 PolarHBondContact O-N 3.23Å; R616-V619 WeakPolarHBondContact O-CB 3.24Å; R616-V619 PolarHBondContact O-N 3.23Å; V619-E621 PolarHBondContact O-N 3.3Å; V619-A622 PolarHBondContact O-N 3.29Å; V619-V623 HydrophobicContact CG1-CG2 4.49Å; V619-V623 WeakPolarHBondContact O-CG2 3.42Å; V619-V623 PolarHBondContact O-N 3.33Å
620	D	87.2	Confident	85.4	Confident	86 Å²	86	70 Å²	70	46%	0.46	37%	0.374	S	S	.	.	H	α-helix	trans	-62.4	-42.1	176.7	-64.1	-36.9	0	0	0	112	R616 V623 A624	R616-D620 PolarHBondContact O-N 3.04Å; D620-V623 PolarHBondContact O-N 3.38Å; D620-A624 PolarHBondContact O-N 3.11Å
621	E	88.8	Confident	85.4	Confident	101 Å²	101	67.2 Å²	67.2	47%	0.472	37%	0.372	S	S	.	.	H	α-helix	trans	-59.5	-46.1	173.5	-172.5	-178.6	176.4	0	0	111.6	S617 K618 V619 A624 V625	S617-E621 PolarHBondContact O-N 3.06Å; K618-E621 WeakPolarHBondContact CD-OE2 3.2Å; K618-E621 WeakPolarHBondContact CE-OE2 3.49Å; K618-E621 IonicContact NZ-OE1 3.03Å; K618-E621 IonicContact NZ-OE2 3.31Å; K618-E621 PolarHBondContact NZ-OE2 3.01Å; V619-E621 PolarHBondContact O-N 3.3Å; E621-A624 PolarHBondContact O-N 3.24Å; E621-V625 WeakPolarHBondContact O-CG2 3.46Å; E621-V625 PolarHBondContact O-N 2.88Å; E621-V625 VanDerWaalsContact O-N 3.13Å
622	A	87.8	Confident	85.2	Confident	7 Å²	7	72.3 Å²	72.3	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-65.5	-37.6	177	0	0	0	0	0	112.7	I593 M596 K618 V619 V625 L626	I593-A622 HydrophobicContact CG2-CB 4.1Å; M596-A622 HydrophobicContact CE-CB 4.37Å; K618-A622 WeakPolarHBondContact O-CB 3.34Å; K618-A622 PolarHBondContact O-N 3.03Å; K618-A622 VanDerWaalsContact O-N 3.08Å; V619-A622 PolarHBondContact O-N 3.29Å; A622-V625 PolarHBondContact O-N 3.25Å; A622-L626 WeakPolarHBondContact O-CB 3.42Å; A622-L626 WeakPolarHBondContact O-CG 3.22Å; A622-L626 PolarHBondContact O-N 3.07Å
623	V	88.7	Confident	85.2	Confident	15 Å²	15	71.8 Å²	71.8	9%	0.091	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-44.9	174.5	167.7	0	0	0	0	110.9	I593 V619 D620 V625 L626 Q627	I593-V623 HydrophobicContact CD1-CG2 3.59Å; I593-V623 HydrophobicContact CG1-CG2 4.29Å; V619-V623 HydrophobicContact CG1-CG2 4.49Å; V619-V623 WeakPolarHBondContact O-CG2 3.42Å; V619-V623 PolarHBondContact O-N 3.33Å; D620-V623 PolarHBondContact O-N 3.38Å; V623-V625 VanDerWaalsContact C-N 3.35Å; V623-V625 PolarHBondContact O-N 3.25Å; V623-L626 PolarHBondContact O-N 3.26Å; V623-Q627 HydrophobicContact CG1-CG 4.46Å; V623-Q627 WeakPolarHBondContact O-CG 3.44Å; V623-Q627 PolarHBondContact O-N 3Å
624	A	87.4	Confident	84.8	Confident	55 Å²	55	67.3 Å²	67.3	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-61	-42	177.3	0	0	0	0	0	112.2	D620 E621 Q627 A628	D620-A624 PolarHBondContact O-N 3.11Å; E621-A624 PolarHBondContact O-N 3.24Å; A624-Q627 PolarHBondContact O-N 3.31Å; A624-A628 WeakPolarHBondContact O-CB 3.36Å; A624-A628 PolarHBondContact O-N 3.48Å
625	V	88.7	Confident	84.2	Confident	80 Å²	80	68.5 Å²	68.5	49%	0.485	38%	0.381	S	S	.	.	H	α-helix	trans	-64.4	-42.7	175.1	173.4	0	0	0	0	111.7	M596 E621 A622 V623 Q627 A628 H629	M596-V625 HydrophobicContact CE-CB 4.04Å; M596-V625 HydrophobicContact CE-CG1 3.73Å; E621-V625 WeakPolarHBondContact O-CG2 3.46Å; E621-V625 PolarHBondContact O-N 2.88Å; E621-V625 VanDerWaalsContact O-N 3.13Å; A622-V625 PolarHBondContact O-N 3.25Å; V623-V625 VanDerWaalsContact C-N 3.35Å; V623-V625 PolarHBondContact O-N 3.25Å; V625-Q627 VanDerWaalsContact C-N 3.34Å; V625-Q627 PolarHBondContact O-N 2.93Å; V625-A628 PolarHBondContact O-N 3.03Å; V625-H629 PolarHBondContact O-N 2.82Å
626	L	85.7	Confident	83.2	Confident	21 Å²	21	74.1 Å²	74.1	11%	0.11	41%	0.407	C	S	.	.	H	α-helix	trans	-65	-35	176.9	-76.6	169.9	0	0	0	113	K592 I593 M596 A622 V623 Q630	K592-L626 HydrophobicContact CB-CD1 4Å; K592-L626 HydrophobicContact CB-CD2 4.27Å; K592-L626 HydrophobicContact CD-CD2 4.29Å; I593-L626 HydrophobicContact CG1-CD1 3.74Å; M596-L626 HydrophobicContact CE-CG 4.49Å; M596-L626 HydrophobicContact SD-CD1 4Å; M596-L626 HydrophobicContact SD-CD2 3.65Å; M596-L626 HydrophobicContact SD-CG 3.62Å; A622-L626 WeakPolarHBondContact O-CB 3.42Å; A622-L626 WeakPolarHBondContact O-CG 3.22Å; A622-L626 PolarHBondContact O-N 3.07Å; V623-L626 PolarHBondContact O-N 3.26Å; L626-Q630 WeakPolarHBondContact O-CG 3.22Å; L626-Q630 PolarHBondContact O-N 2.81Å; L626-Q630 VanDerWaalsContact O-N 3.16Å; L626-Q630 PolarHBondContact O-NE2 3.42Å
627	Q	85.1	Confident	82	Confident	122 Å²	122	74.8 Å²	74.8	57%	0.57	41%	0.414	S	S	*	.	H	α-helix	trans	-69	-44.7	174	-72	175.7	6.5	0	0	111.3	V623 A624 V625 H629 Q630 A631	V623-Q627 HydrophobicContact CG1-CG 4.46Å; V623-Q627 WeakPolarHBondContact O-CG 3.44Å; V623-Q627 PolarHBondContact O-N 3Å; A624-Q627 PolarHBondContact O-N 3.31Å; V625-Q627 VanDerWaalsContact C-N 3.34Å; V625-Q627 PolarHBondContact O-N 2.93Å; Q627-H629 VanDerWaalsContact C-N 3.3Å; Q627-H629 PolarHBondContact O-N 2.99Å; Q627-Q630 PolarHBondContact O-N 3.04Å; Q627-A631 PolarHBondContact O-N 3.01Å
628	A	85.2	Confident	80.4	Confident	63 Å²	63	75.9 Å²	75.9	52%	0.521	42%	0.422	S	S	.	.	H	α-helix	trans	-61.3	-37	176.1	0	0	0	0	0	112.5	A624 V625 K632	A624-A628 WeakPolarHBondContact O-CB 3.36Å; A624-A628 PolarHBondContact O-N 3.48Å; V625-A628 PolarHBondContact O-N 3.03Å; A628-K632 WeakPolarHBondContact O-CB 3.26Å; A628-K632 PolarHBondContact O-N 3.18Å
629	H	82.9	Confident	78.8	Confident	111 Å²	111	78.5 Å²	78.5	51%	0.514	44%	0.442	S	S	.	.	H	α-helix	trans	-65.7	-47.6	174.4	-161.4	-81	0	0	0	112	V625 Q627 A631 K632 E633	V625-H629 PolarHBondContact O-N 2.82Å; Q627-H629 VanDerWaalsContact C-N 3.3Å; Q627-H629 PolarHBondContact O-N 2.99Å; H629-A631 PolarHBondContact O-N 2.88Å; H629-K632 WeakPolarHBondContact O-CB 3.26Å; H629-K632 PolarHBondContact O-N 3.3Å; H629-K632 VanDerWaalsContact O-N 3.08Å; H629-E633 IonicContact CE1-OE2 3.17Å; H629-E633 PolarHBondContact CE1-OE2 2.85Å; H629-E633 IonicContact CG-OE2 2.68Å; H629-E633 VanDerWaalsContact ND1-CD 3.34Å; H629-E633 IonicContact ND1-OE2 2.68Å; H629-E633 PolarHBondContact ND1-OE2 3.26Å; H629-E633 PolarHBondContact O-N 3.45Å
630	Q	82.1	Confident	76.7	Confident	93 Å²	93	83.9 Å²	83.9	44%	0.435	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-40	179.1	-76	168.8	75.9	0	0	112.6	L626 Q627 K632 E633 A634	L626-Q630 WeakPolarHBondContact O-CG 3.22Å; L626-Q630 PolarHBondContact O-N 2.81Å; L626-Q630 VanDerWaalsContact O-N 3.16Å; L626-Q630 PolarHBondContact O-NE2 3.42Å; Q627-Q630 PolarHBondContact O-N 3.04Å; Q630-K632 VanDerWaalsContact C-N 3.28Å; Q630-K632 PolarHBondContact O-N 3.36Å; Q630-E633 PolarHBondContact O-N 3.05Å; Q630-A634 WeakPolarHBondContact O-CB 3.43Å; Q630-A634 PolarHBondContact O-N 3.2Å
631	A	80.1	Confident	74.7	Confident	65 Å²	65	85.4 Å²	85.4	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-38	173.6	0	0	0	0	0	112	Q627 H629 A635	Q627-A631 PolarHBondContact O-N 3.01Å; H629-A631 PolarHBondContact O-N 2.88Å; A631-A635 WeakPolarHBondContact O-CB 3.27Å; A631-A635 PolarHBondContact O-N 2.84Å
632	K	79.8	Confident	72.6	Confident	138 Å²	138	85.5 Å²	85.5	60%	0.6	51%	0.508	S	S	*	.	H	α-helix	trans	-71.9	-40.4	177.8	-166.2	177.3	-178.6	-177.1	0	112.7	A628 H629 Q630 A635 Q636	A628-K632 WeakPolarHBondContact O-CB 3.26Å; A628-K632 PolarHBondContact O-N 3.18Å; H629-K632 WeakPolarHBondContact O-CB 3.26Å; H629-K632 PolarHBondContact O-N 3.3Å; H629-K632 VanDerWaalsContact O-N 3.08Å; Q630-K632 VanDerWaalsContact C-N 3.28Å; Q630-K632 PolarHBondContact O-N 3.36Å; K632-A635 PolarHBondContact O-N 3.12Å; K632-Q636 WeakPolarHBondContact O-CG 3.38Å; K632-Q636 PolarHBondContact O-N 3.08Å
633	E	78.9	Confident	70.5	Confident	80 Å²	80	88.7 Å²	88.7	37%	0.374	54%	0.542	S	S	.	.	H	α-helix	trans	-64.7	-38.5	173.4	-72.4	179.3	91.9	0	0	112.2	H629 Q630 Q636 K637	H629-E633 IonicContact CE1-OE2 3.17Å; H629-E633 PolarHBondContact CE1-OE2 2.85Å; H629-E633 IonicContact CG-OE2 2.68Å; H629-E633 VanDerWaalsContact ND1-CD 3.34Å; H629-E633 IonicContact ND1-OE2 2.68Å; H629-E633 PolarHBondContact ND1-OE2 3.26Å; H629-E633 PolarHBondContact O-N 3.45Å; Q630-E633 PolarHBondContact O-N 3.05Å; E633-Q636 PolarHBondContact O-N 2.73Å; E633-K637 WeakPolarHBondContact O-CG 3.31Å; E633-K637 PolarHBondContact O-N 3.07Å; E633-K637 VanDerWaalsContact O-N 3.08Å
634	A	73.9	Confident	68.4	Low	61 Å²	61	94.6 Å²	94.6	50%	0.504	58%	0.577	S	S	.	*	H	α-helix	trans	-62.5	-45.9	173.6	0	0	0	0	0	111.4	Q630 Q636 K637 S638	Q630-A634 WeakPolarHBondContact O-CB 3.43Å; Q630-A634 PolarHBondContact O-N 3.2Å; A634-Q636 VanDerWaalsContact C-N 3.31Å; A634-Q636 PolarHBondContact O-N 3.41Å; A634-K637 PolarHBondContact O-N 3.3Å; A634-S638 PolarHBondContact O-N 3.23Å; A634-S638 PolarHBondContact O-OG 3.25Å
635	A	71.7	Confident	66.6	Low	55 Å²	55	97.2 Å²	97.2	46%	0.455	59%	0.59	S	S	.	*	H	α-helix	trans	-64.9	-29.6	177.1	0	0	0	0	0	113.8	A631 K632 S638	A631-A635 WeakPolarHBondContact O-CB 3.27Å; A631-A635 PolarHBondContact O-N 2.84Å; K632-A635 PolarHBondContact O-N 3.12Å; A635-S638 PolarHBondContact O-OG 2.81Å
636	Q	64.7	Low	64.6	Low	126 Å²	126	99.2 Å²	99.2	59%	0.589	61%	0.607	S	S	*	*	H	α-helix	trans	-76.4	-33.1	173.6	-73.9	-175.3	-59.1	0	0	112.7	K632 E633 A634 S638 T639	K632-Q636 WeakPolarHBondContact O-CG 3.38Å; K632-Q636 PolarHBondContact O-N 3.08Å; E633-Q636 PolarHBondContact O-N 2.73Å; A634-Q636 VanDerWaalsContact C-N 3.31Å; A634-Q636 PolarHBondContact O-N 3.41Å; Q636-S638 VanDerWaalsContact C-N 3.34Å; Q636-S638 PolarHBondContact O-N 3.38Å; Q636-T639 PolarHBondContact O-N 3.49Å; Q636-T639 PolarHBondContact O-OG1 3.12Å
637	K	61.1	Low	62.9	Low	165 Å²	165	108.5 Å²	108.5	72%	0.717	66%	0.664	S	S	*	*	H	α-helix	trans	-70.2	-26.8	177.6	-77.3	176.2	178	173.1	0	113.5	E633 A634 T639	E633-K637 WeakPolarHBondContact O-CG 3.31Å; E633-K637 PolarHBondContact O-N 3.07Å; E633-K637 VanDerWaalsContact O-N 3.08Å; A634-K637 PolarHBondContact O-N 3.3Å; K637-T639 VanDerWaalsContact C-N 3.29Å; K637-T639 PolarHBondContact O-N 3.26Å
638	S	55.3	Low	61.8	Low	98 Å²	98	107.8 Å²	107.8	69%	0.685	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-8.5	174.7	51.3	0	0	0	0	114.5	A634 A635 Q636	A634-S638 PolarHBondContact O-N 3.23Å; A634-S638 PolarHBondContact O-OG 3.25Å; A635-S638 PolarHBondContact O-OG 2.81Å; Q636-S638 VanDerWaalsContact C-N 3.34Å; Q636-S638 PolarHBondContact O-N 3.38Å
639	T	52	Low	60.6	Low	107 Å²	107	110.2 Å²	110.2	66%	0.656	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	8.9	-177.8	44.6	0	0	0	0	115.6	Q636 K637 P641	Q636-T639 PolarHBondContact O-N 3.49Å; Q636-T639 PolarHBondContact O-OG1 3.12Å; K637-T639 VanDerWaalsContact C-N 3.29Å; K637-T639 PolarHBondContact O-N 3.26Å; T639-P641 WeakPolarHBondContact O-CD 3.44Å
640	T	44	Very low	59.3	Low	113 Å²	113	110.1 Å²	110.1	69%	0.693	69%	0.686	S	S	*	*			trans	-93.3	109	175.8	-46.4	0	0	0	0	110.3
641	P	45.4	Very low	58	Low	117 Å²	117	111.1 Å²	111.1	76%	0.76	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-68.8	149.3	178.8	28.9	-34.6	0	0	0	111.6	T639	T639-P641 WeakPolarHBondContact O-CD 3.44Å
642	A	45	Very low	56.6	Low	104 Å²	104	114 Å²	114	86%	0.86	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-64.4	150.6	178.6	0	0	0	0	0	112.2
643	G	43	Very low	55	Low	74 Å²	74	112.4 Å²	112.4	76%	0.763	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.4	154.6	-174.4	0	0	0	0	0	114.6
644	V	44.5	Very low	53.3	Low	138 Å²	138	114.7 Å²	114.7	84%	0.836	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-64.3	133.1	174.7	-172.8	0	0	0	0	109.8
645	P	50.4	Low	51.8	Low	111 Å²	111	118.8 Å²	118.8	72%	0.721	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-72.6	129.7	172.1	30	-33.3	0	0	0	110.5
646	S	45.5	Very low	50.1	Low	121 Å²	121	124.2 Å²	124.2	85%	0.846	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-70.9	148.1	171.5	-55.5	0	0	0	0	111.6
647	V	50.3	Low	48.8	Very low	216 Å²	216	124 Å²	124	100%	1.309	80%	0.804	S	S	*	*			trans	-116.2	0	164.3	-178.7	0	0	0	0	107.5

Retrieved 647 of 647 residues in 789.1 ms (Link to these results)

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