A0A077ZBT0_TRITR Loading...

Response reg domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBT0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.2	Low	83.8	Confident	214 Å²	214	85.6 Å²	85.6	100%	1.054	44%	0.435	S	S	*	.				0	-52.4	0	-159.8	176.2	-164.4	0	0	111.8	A3 E4 L5	M1-A3 PolarHBondContact O-N 3.22Å; M1-E4 PolarHBondContact O-N 3.48Å; M1-L5 PolarHBondContact O-N 3.19Å; M1-L5 VanDerWaalsContact O-N 3.15Å
2	V	76.5	Confident	84.3	Confident	59 Å²	59	90.3 Å²	90.3	36%	0.358	45%	0.454	S	S	.	.	H	α-helix	trans	-60	-46.5	-178.8	-176.5	0	0	0	0	113.2	E4 L5 N6	V2-E4 VanDerWaalsContact C-N 3.29Å; V2-E4 PolarHBondContact O-N 3.28Å; V2-L5 WeakPolarHBondContact O-CB 3.33Å; V2-L5 PolarHBondContact O-N 3.12Å; V2-L5 VanDerWaalsContact O-N 3.13Å; V2-N6 PolarHBondContact O-N 3.39Å
3	A	79.7	Confident	84.7	Confident	48 Å²	48	84.3 Å²	84.3	40%	0.397	42%	0.424	S	S	.	.	H	α-helix	trans	-58.1	-39.5	178.7	0	0	0	0	0	113.1	M1 N6 R7	M1-A3 PolarHBondContact O-N 3.22Å; A3-N6 PolarHBondContact O-N 3.05Å; A3-R7 WeakPolarHBondContact O-CB 3.41Å; A3-R7 PolarHBondContact O-N 3.18Å
4	E	83.1	Confident	84.9	Confident	77 Å²	77	85.6 Å²	85.6	36%	0.36	44%	0.441	S	S	.	.	H	α-helix	trans	-70.5	-35.9	177.8	178.7	56.4	-159	0	0	111.9	M1 V2 R7 R8	M1-E4 PolarHBondContact O-N 3.48Å; V2-E4 VanDerWaalsContact C-N 3.29Å; V2-E4 PolarHBondContact O-N 3.28Å; E4-R7 PolarHBondContact O-N 3.22Å; E4-R7 IonicContact OE1-NH1 3.15Å; E4-R7 IonicContact OE2-NH1 3.73Å; E4-R8 WeakPolarHBondContact O-CG 3.23Å; E4-R8 PolarHBondContact O-N 3.26Å; E4-R8 IonicContact OE1-CZ 3.9Å; E4-R8 IonicContact OE1-NE 2.64Å; E4-R8 PolarHBondContact OE1-NE 3.11Å; E4-R8 VanDerWaalsContact OE1-NE 3.15Å; E4-R8 IonicContact OE1-NH2 3.9Å
5	L	85	Confident	85.3	Confident	89 Å²	89	84.4 Å²	84.4	47%	0.466	46%	0.458	S	S	.	.	H	α-helix	trans	-62.8	-48.8	173.2	179.8	63.4	0	0	0	110.9	M1 V2 R7 R8 Y9	M1-L5 PolarHBondContact O-N 3.19Å; M1-L5 VanDerWaalsContact O-N 3.15Å; V2-L5 WeakPolarHBondContact O-CB 3.33Å; V2-L5 PolarHBondContact O-N 3.12Å; V2-L5 VanDerWaalsContact O-N 3.13Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 3.36Å; L5-R8 WeakPolarHBondContact O-CB 3.36Å; L5-R8 PolarHBondContact O-N 3.47Å; L5-R8 VanDerWaalsContact O-N 3.16Å; L5-Y9 HydrophobicContact CD1-CD2 4.08Å; L5-Y9 HydrophobicContact CD1-CE2 3.52Å; L5-Y9 HydrophobicContact CD2-CE2 4.12Å; L5-Y9 HydrophobicContact CG-CD2 3.94Å; L5-Y9 HydrophobicContact CG-CE2 3.58Å; L5-Y9 VanDerWaalsContact O-CD2 3.26Å; L5-Y9 WeakPolarHBondContact O-CD2 3.17Å; L5-Y9 PolarHBondContact O-N 2.81Å
6	N	86.5	Confident	85.9	Confident	17 Å²	17	81.4 Å²	81.4	9%	0.091	44%	0.439	C	S	.	.	H	α-helix	trans	-60.8	-42.9	177	-69.3	-5.2	0	0	0	111.1	V2 A3 R8 Y9 V10	V2-N6 PolarHBondContact O-N 3.39Å; A3-N6 PolarHBondContact O-N 3.05Å; N6-R8 VanDerWaalsContact C-N 3.29Å; N6-R8 PolarHBondContact O-N 3.05Å; N6-Y9 PolarHBondContact O-N 3.42Å; N6-Y9 VanDerWaalsContact O-N 3.12Å; N6-V10 WeakPolarHBondContact O-CG2 3.39Å; N6-V10 PolarHBondContact O-N 3.1Å
7	R	89.6	Confident	86.3	Confident	121 Å²	121	86.9 Å²	86.9	46%	0.457	46%	0.462	S	S	.	.	H	α-helix	trans	-56.3	-41.8	175	179.4	176.6	177.9	-86.3	-6.4	112.3	A3 E4 L5 V10 A11 C18	A3-R7 WeakPolarHBondContact O-CB 3.41Å; A3-R7 PolarHBondContact O-N 3.18Å; E4-R7 PolarHBondContact O-N 3.22Å; E4-R7 IonicContact OE1-NH1 3.15Å; E4-R7 IonicContact OE2-NH1 3.73Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 3.36Å; R7-V10 PolarHBondContact O-N 2.68Å; R7-A11 WeakPolarHBondContact O-CB 3.46Å; R7-A11 PolarHBondContact O-N 3.42Å; R7-C18 HydrophobicContact CG-CB 4.11Å
8	R	88.3	Confident	86.7	Confident	152 Å²	152	84.8 Å²	84.8	57%	0.574	45%	0.454	S	S	*	.	H	α-helix	trans	-67	-38	176.4	-72	175.3	-173.8	-165.2	-0.9	112.7	E4 L5 N6 Q12	E4-R8 WeakPolarHBondContact O-CG 3.23Å; E4-R8 PolarHBondContact O-N 3.26Å; E4-R8 IonicContact OE1-CZ 3.9Å; E4-R8 IonicContact OE1-NE 2.64Å; E4-R8 PolarHBondContact OE1-NE 3.11Å; E4-R8 VanDerWaalsContact OE1-NE 3.15Å; E4-R8 IonicContact OE1-NH2 3.9Å; L5-R8 WeakPolarHBondContact O-CB 3.36Å; L5-R8 PolarHBondContact O-N 3.47Å; L5-R8 VanDerWaalsContact O-N 3.16Å; N6-R8 VanDerWaalsContact C-N 3.29Å; N6-R8 PolarHBondContact O-N 3.05Å; R8-Q12 WeakPolarHBondContact O-CG 3.45Å; R8-Q12 PolarHBondContact O-N 3.01Å; R8-Q12 PolarHBondContact O-NE2 3.15Å
9	Y	87.6	Confident	86.9	Confident	70 Å²	70	84.7 Å²	84.7	28%	0.275	46%	0.46	S	S	.	.	H	α-helix	trans	-65.5	-45.9	173.6	-77.9	-64.1	0	0	0	111.6	L5 N6 A11 Q12 A99 F102	L5-Y9 HydrophobicContact CD1-CD2 4.08Å; L5-Y9 HydrophobicContact CD1-CE2 3.52Å; L5-Y9 HydrophobicContact CD2-CE2 4.12Å; L5-Y9 HydrophobicContact CG-CD2 3.94Å; L5-Y9 HydrophobicContact CG-CE2 3.58Å; L5-Y9 VanDerWaalsContact O-CD2 3.26Å; L5-Y9 WeakPolarHBondContact O-CD2 3.17Å; L5-Y9 PolarHBondContact O-N 2.81Å; N6-Y9 PolarHBondContact O-N 3.42Å; N6-Y9 VanDerWaalsContact O-N 3.12Å; Y9-A11 VanDerWaalsContact C-N 3.29Å; Y9-A11 PolarHBondContact O-N 3.46Å; Y9-Q12 WeakPolarHBondContact O-CB 3.25Å; Y9-Q12 PolarHBondContact O-N 3.11Å; Y9-A99 HydrophobicContact CD1-CB 4.32Å; Y9-A99 HydrophobicContact CE1-CB 3.71Å; Y9-F102 VanDerWaalsContact CB-CE1 3.47Å; Y9-F102 HydrophobicContact CG-CD1 4.44Å
10	V	92.7	Very high	87.2	Confident	14 Å²	14	82.3 Å²	82.3	9%	0.085	46%	0.455	C	S	.	.	H	α-helix	trans	-57.6	-43.4	176.2	173.7	0	0	0	0	111	N6 R7 Q12 I13 F16 C18 L43 F102 L106	N6-V10 WeakPolarHBondContact O-CG2 3.39Å; N6-V10 PolarHBondContact O-N 3.1Å; R7-V10 PolarHBondContact O-N 2.68Å; V10-Q12 PolarHBondContact O-N 3.22Å; V10-Q12 VanDerWaalsContact O-N 3.14Å; V10-I13 PolarHBondContact O-N 3.13Å; V10-I13 VanDerWaalsContact O-N 3.08Å; V10-F16 HydrophobicContact CG1-CB 3.85Å; V10-C18 HydrophobicContact CG1-CB 4.46Å; V10-L43 HydrophobicContact CG2-CD1 3.71Å; V10-F102 HydrophobicContact CG2-CE1 4Å; V10-F102 HydrophobicContact CG2-CZ 3.82Å; V10-L106 HydrophobicContact CG2-CD1 4.31Å
11	A	90.9	Very high	87.5	Confident	81 Å²	81	82 Å²	82	67%	0.669	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.6	179.3	0	0	0	0	0	114.3	R7 Y9	R7-A11 WeakPolarHBondContact O-CB 3.46Å; R7-A11 PolarHBondContact O-N 3.42Å; Y9-A11 VanDerWaalsContact C-N 3.29Å; Y9-A11 PolarHBondContact O-N 3.46Å
12	Q	89.5	Confident	88.9	Confident	142 Å²	142	73.1 Å²	73.1	66%	0.664	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-11	177.2	-69.3	171.9	36.8	0	0	113	R8 Y9 V10 P14	R8-Q12 WeakPolarHBondContact O-CG 3.45Å; R8-Q12 PolarHBondContact O-N 3.01Å; R8-Q12 PolarHBondContact O-NE2 3.15Å; Y9-Q12 WeakPolarHBondContact O-CB 3.25Å; Y9-Q12 PolarHBondContact O-N 3.11Å; V10-Q12 PolarHBondContact O-N 3.22Å; V10-Q12 VanDerWaalsContact O-N 3.14Å; Q12-P14 WeakPolarHBondContact O-CD 3.44Å
13	I	89.2	Confident	89.6	Confident	12 Å²	12	73.7 Å²	73.7	6%	0.062	42%	0.424	C	S	.	.	S	Bend	trans	-102.2	113.3	-174.6	-60.9	166.9	0	0	0	108.7	V10 G15 F16 F102 E103 L106 T107	V10-I13 PolarHBondContact O-N 3.13Å; V10-I13 VanDerWaalsContact O-N 3.08Å; I13-G15 PolarHBondContact O-N 3.07Å; I13-F16 HydrophobicContact CB-CD2 4.23Å; I13-F16 HydrophobicContact CG2-CD2 3.55Å; I13-F16 HydrophobicContact CG2-CE2 3.9Å; I13-F16 PolarHBondContact O-N 3.46Å; I13-F102 HydrophobicContact CD1-CD1 3.87Å; I13-F102 HydrophobicContact CD1-CE1 4.05Å; I13-E103 HydrophobicContact CD1-CB 4.16Å; I13-E103 HydrophobicContact CD1-CG 4.34Å; I13-E103 HydrophobicContact CG1-CG 4.41Å; I13-L106 HydrophobicContact CD1-CB 4.46Å; I13-L106 HydrophobicContact CD1-CD1 3.46Å; I13-L106 VanDerWaalsContact CD1-CD1 3.46Å; I13-L106 HydrophobicContact CD1-CG 4.49Å; I13-T107 HydrophobicContact CG2-CG2 4.25Å
14	P	88.2	Confident	90.2	Very high	102 Å²	102	73.4 Å²	73.4	66%	0.662	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	139.6	-179.8	-24.6	34.2	0	0	0	111.9	Q12 R110	Q12-P14 WeakPolarHBondContact O-CD 3.44Å; P14-R110 PolarHBondContact O-NH1 2.87Å
15	G	91.2	Very high	90.7	Very high	68 Å²	68	70.4 Å²	70.4	70%	0.701	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	9.3	179.7	0	0	0	0	0	114.9	I13	I13-G15 PolarHBondContact O-N 3.07Å
16	F	94.1	Very high	91.1	Very high	36 Å²	36	73.3 Å²	73.3	16%	0.158	42%	0.415	C	S	.	.			trans	-119.1	144.7	169.2	-69.9	-95.6	0	0	0	110.8	V10 I13 L41 L106 W109 R110	V10-F16 HydrophobicContact CG1-CB 3.85Å; I13-F16 HydrophobicContact CB-CD2 4.23Å; I13-F16 HydrophobicContact CG2-CD2 3.55Å; I13-F16 HydrophobicContact CG2-CE2 3.9Å; I13-F16 PolarHBondContact O-N 3.46Å; F16-L41 HydrophobicContact CE1-CD2 4.13Å; F16-L106 HydrophobicContact CD1-CD2 4.29Å; F16-L106 HydrophobicContact CE1-CB 4Å; F16-L106 HydrophobicContact CE1-CD2 3.9Å; F16-L106 HydrophobicContact CE1-CG 4.41Å; F16-L106 HydrophobicContact CE2-CB 4Å; F16-L106 HydrophobicContact CZ-CB 3.67Å; F16-L106 HydrophobicContact CZ-CD2 4.44Å; F16-L106 WeakPolarHBondContact CZ-O 3.49Å; F16-W109 AromaticContact CE1-CE3 3.67Å; F16-W109 HydrophobicContact CE1-CE3 3.67Å; F16-W109 AromaticContact CE1-CZ3 3.6Å; F16-W109 HydrophobicContact CE1-CZ3 3.6Å; F16-W109 AromaticContact CZ-CE3 3.91Å; F16-W109 HydrophobicContact CZ-CE3 3.91Å; F16-W109 HydrophobicContact CZ-CZ3 4.08Å; F16-R110 HydrophobicContact CE2-CB 4.29Å; F16-R110 HydrophobicContact CZ-CB 3.81Å
17	Q	93.2	Very high	91.4	Very high	176 Å²	176	76.2 Å²	76.2	82%	0.822	43%	0.426	S	S	*	.			trans	-137.5	130.9	174.5	-179.3	176.3	-24	0	0	109.6	C19	Q17-C19 PolarHBondContact O-N 3.37Å
18	C	93.2	Very high	91.6	Very high	48 Å²	48	71 Å²	71	32%	0.324	41%	0.409	S	S	.	.			trans	-76.8	107.2	172.9	-176.3	0	0	0	0	109.5	R7 V10 G20	R7-C18 HydrophobicContact CG-CB 4.11Å; V10-C18 HydrophobicContact CG1-CB 4.46Å; C18-G20 PolarHBondContact SG-O 2.81Å
19	C	91.2	Very high	92	Very high	83 Å²	83	67.2 Å²	67.2	56%	0.561	40%	0.397	S	S	*	.			trans	-84	-18.9	178.9	56.6	0	0	0	0	113.8	Q17	Q17-C19 PolarHBondContact O-N 3.37Å
20	G	92.3	Very high	92.3	Very high	36 Å²	36	68.3 Å²	68.3	37%	0.371	40%	0.404	S	S	.	.			trans	-173.4	165.5	177.8	0	0	0	0	0	112.6	C18	C18-G20 PolarHBondContact SG-O 2.81Å
21	T	93.1	Very high	92.3	Very high	77 Å²	77	69.4 Å²	69.4	47%	0.472	41%	0.409	S	S	.	.			trans	-135.9	136.9	172.5	58.9	0	0	0	0	109
22	A	92.2	Very high	92.5	Very high	27 Å²	27	66.7 Å²	66.7	22%	0.223	38%	0.383	C	S	.	.			trans	-121.4	134.9	176	0	0	0	0	0	110.3	K27 A28 I31 M48	A22-K27 HydrophobicContact CB-CB 4.19Å; A22-K27 HydrophobicContact CB-CG 4.27Å; A22-A28 VanDerWaalsContact CB-CA 3.49Å; A22-A28 HydrophobicContact CB-CB 3.68Å; A22-I31 HydrophobicContact CB-CD1 4.31Å; A22-M48 WeakPolarHBondContact O-CE 3.47Å
23	S	90.5	Very high	92.7	Very high	72 Å²	72	64.1 Å²	64.1	50%	0.503	37%	0.37	S	S	.	.	S	Bend	trans	-98.7	-7.3	173.8	55.1	0	0	0	0	113.6	M48	S23-M48 VanDerWaalsContact C-CE 3.45Å
24	T	92.3	Very high	92.8	Very high	42 Å²	42	69.3 Å²	69.3	26%	0.258	40%	0.398	S	S	.	.	S	Bend	trans	-138.5	157.8	177.8	63.5	0	0	0	0	110.2	E26 K27 A28 E51	T24-E26 VanDerWaalsContact C-N 3.32Å; T24-E26 PolarHBondContact O-N 3.47Å; T24-K27 PolarHBondContact O-N 3.28Å; T24-K27 WeakPolarHBondContact OG1-CB 3.24Å; T24-K27 PolarHBondContact OG1-N 3.21Å; T24-A28 WeakPolarHBondContact O-CB 3.26Å; T24-A28 PolarHBondContact O-N 3.12Å; T24-E51 WeakPolarHBondContact CA-OE2 3.34Å; T24-E51 VanDerWaalsContact CB-OE2 3.26Å; T24-E51 WeakPolarHBondContact CB-OE2 3.45Å
25	L	93.5	Very high	92.6	Very high	13 Å²	13	67 Å²	67	7%	0.068	38%	0.384	C	S	.	.	H	α-helix	trans	-61.2	-40	175.2	-68.5	-176.7	0	0	0	111.8	A28 K29 M48 E51 D55 L56	L25-A28 WeakPolarHBondContact O-CB 3.48Å; L25-A28 PolarHBondContact O-N 3.14Å; L25-K29 VanDerWaalsContact O-CG 3.26Å; L25-K29 WeakPolarHBondContact O-CG 3.35Å; L25-K29 PolarHBondContact O-N 3.22Å; L25-M48 HydrophobicContact CD2-SD 4.43Å; L25-E51 HydrophobicContact CD1-CB 4.03Å; L25-E51 HydrophobicContact CG-CB 4.01Å; L25-E51 PolarHBondContact N-OE2 2.87Å; L25-D55 HydrophobicContact CD1-CB 3.91Å; L25-L56 HydrophobicContact CD2-CB 3.8Å; L25-L56 HydrophobicContact CD2-CD1 4.43Å
26	E	94	Very high	92.3	Very high	151 Å²	151	71.8 Å²	71.8	71%	0.706	39%	0.394	S	S	*	.	H	α-helix	trans	-60.7	-48.1	176.5	-173.8	179.3	-171.1	0	0	111	T24 A28 K29 E30	T24-E26 VanDerWaalsContact C-N 3.32Å; T24-E26 PolarHBondContact O-N 3.47Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 2.83Å; E26-K29 PolarHBondContact O-N 3.47Å; E26-E30 PolarHBondContact O-N 2.99Å
27	K	93.5	Very high	91.9	Very high	78 Å²	78	74.5 Å²	74.5	34%	0.339	41%	0.413	S	S	.	.	H	α-helix	trans	-66.6	-34.5	178.2	-169.7	52.3	166.2	179.9	0	112	A22 T24 E30 I31	A22-K27 HydrophobicContact CB-CB 4.19Å; A22-K27 HydrophobicContact CB-CG 4.27Å; T24-K27 PolarHBondContact O-N 3.28Å; T24-K27 WeakPolarHBondContact OG1-CB 3.24Å; T24-K27 PolarHBondContact OG1-N 3.21Å; K27-E30 HydrophobicContact CD-CB 4.46Å; K27-E30 WeakPolarHBondContact CD-OE2 3.43Å; K27-E30 IonicContact NZ-OE1 2.8Å; K27-E30 PolarHBondContact NZ-OE1 2.86Å; K27-E30 IonicContact NZ-OE2 2.74Å; K27-E30 PolarHBondContact NZ-OE2 2.86Å; K27-E30 PolarHBondContact O-N 2.99Å; K27-I31 HydrophobicContact CD-CD1 4.26Å; K27-I31 HydrophobicContact CD-CG1 4.35Å; K27-I31 HydrophobicContact CG-CD1 4Å; K27-I31 VanDerWaalsContact O-CG1 3.31Å; K27-I31 WeakPolarHBondContact O-CG1 3.35Å; K27-I31 PolarHBondContact O-N 2.75Å
28	A	94.1	Very high	91.6	Very high	10 Å²	10	71.1 Å²	71.1	8%	0.083	41%	0.406	C	S	.	.	H	α-helix	trans	-61.5	-48.3	174.2	0	0	0	0	0	110.7	A22 T24 L25 E26 E30 I31 I32 L56	A22-A28 VanDerWaalsContact CB-CA 3.49Å; A22-A28 HydrophobicContact CB-CB 3.68Å; T24-A28 WeakPolarHBondContact O-CB 3.26Å; T24-A28 PolarHBondContact O-N 3.12Å; L25-A28 WeakPolarHBondContact O-CB 3.48Å; L25-A28 PolarHBondContact O-N 3.14Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 2.83Å; A28-E30 PolarHBondContact O-N 2.96Å; A28-I31 PolarHBondContact O-N 3.48Å; A28-I32 HydrophobicContact CB-CD1 4.38Å; A28-I32 WeakPolarHBondContact O-CB 3.46Å; A28-I32 VanDerWaalsContact O-CD1 3.31Å; A28-I32 WeakPolarHBondContact O-CD1 3.11Å; A28-I32 WeakPolarHBondContact O-CG1 3.35Å; A28-I32 PolarHBondContact O-N 3.01Å; A28-L56 HydrophobicContact CB-CD1 4.37Å; A28-L56 HydrophobicContact CB-CD2 4.05Å
29	K	94.7	Very high	91.7	Very high	74 Å²	74	69.7 Å²	69.7	32%	0.322	40%	0.396	S	S	.	.	H	α-helix	trans	-60	-44.9	176.7	-68.8	169.1	-169.1	-179.3	0	111.9	L25 E26 I31 I32 F33 L56 V59	L25-K29 VanDerWaalsContact O-CG 3.26Å; L25-K29 WeakPolarHBondContact O-CG 3.35Å; L25-K29 PolarHBondContact O-N 3.22Å; E26-K29 PolarHBondContact O-N 3.47Å; K29-I31 PolarHBondContact O-N 3.26Å; K29-I32 PolarHBondContact O-N 3.42Å; K29-F33 HydrophobicContact CB-CD2 4.06Å; K29-F33 HydrophobicContact CB-CE2 4.13Å; K29-F33 HydrophobicContact CG-CE2 4.17Å; K29-F33 WeakPolarHBondContact O-CB 3.43Å; K29-F33 WeakPolarHBondContact O-CD2 2.99Å; K29-F33 PolarHBondContact O-N 2.98Å; K29-L56 HydrophobicContact CG-CD1 3.88Å; K29-V59 HydrophobicContact CD-CG1 4.3Å; K29-V59 HydrophobicContact CG-CG1 4.38Å
30	E	94.1	Very high	91.9	Very high	92 Å²	92	69.7 Å²	69.7	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-57.9	-48.7	177.1	-170	-160.5	144.5	0	0	111.2	E26 K27 A28 N34	E26-E30 PolarHBondContact O-N 2.99Å; K27-E30 HydrophobicContact CD-CB 4.46Å; K27-E30 WeakPolarHBondContact CD-OE2 3.43Å; K27-E30 IonicContact NZ-OE1 2.8Å; K27-E30 PolarHBondContact NZ-OE1 2.86Å; K27-E30 IonicContact NZ-OE2 2.74Å; K27-E30 PolarHBondContact NZ-OE2 2.86Å; K27-E30 PolarHBondContact O-N 2.99Å; A28-E30 PolarHBondContact O-N 2.96Å; E30-N34 WeakPolarHBondContact O-CB 3.47Å; E30-N34 PolarHBondContact O-N 3.41Å
31	I	93.9	Very high	92.1	Very high	38 Å²	38	69.4 Å²	69.4	20%	0.195	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-42.8	179.6	-68.4	169.4	0	0	0	111.1	A22 K27 A28 K29 S35 I39	A22-I31 HydrophobicContact CB-CD1 4.31Å; K27-I31 HydrophobicContact CD-CD1 4.26Å; K27-I31 HydrophobicContact CD-CG1 4.35Å; K27-I31 HydrophobicContact CG-CD1 4Å; K27-I31 VanDerWaalsContact O-CG1 3.31Å; K27-I31 WeakPolarHBondContact O-CG1 3.35Å; K27-I31 PolarHBondContact O-N 2.75Å; A28-I31 PolarHBondContact O-N 3.48Å; K29-I31 PolarHBondContact O-N 3.26Å; I31-S35 WeakPolarHBondContact O-CB 3.42Å; I31-S35 PolarHBondContact O-N 3.29Å; I31-I39 HydrophobicContact CG2-CD1 3.96Å
32	I	94.3	Very high	92.2	Very high	23 Å²	23	66.7 Å²	66.7	12%	0.118	36%	0.362	C	S	.	.	H	α-helix	trans	-70.4	-40.9	-175.1	-67.9	162.3	0	0	0	111.8	A28 K29 I39 I42 L56 L60	A28-I32 HydrophobicContact CB-CD1 4.38Å; A28-I32 WeakPolarHBondContact O-CB 3.46Å; A28-I32 VanDerWaalsContact O-CD1 3.31Å; A28-I32 WeakPolarHBondContact O-CD1 3.11Å; A28-I32 WeakPolarHBondContact O-CG1 3.35Å; A28-I32 PolarHBondContact O-N 3.01Å; K29-I32 PolarHBondContact O-N 3.42Å; I32-I39 HydrophobicContact CB-CD1 4.47Å; I32-I39 HydrophobicContact CG1-CD1 3.97Å; I32-I42 HydrophobicContact CD1-CD1 3.66Å; I32-I42 HydrophobicContact CD1-CG1 4.45Å; I32-I42 HydrophobicContact CG1-CD1 4.12Å; I32-L56 HydrophobicContact CD1-CD2 4.21Å; I32-L60 HydrophobicContact CD1-CD2 3.92Å; I32-L60 HydrophobicContact CG2-CD2 3.87Å
33	F	93.2	Very high	92.4	Very high	88 Å²	88	67.8 Å²	67.8	39%	0.386	36%	0.364	S	S	.	.	H	α-helix	trans	-94.4	-20.2	-173.6	-60.8	-52.9	0	0	0	114.4	K29 V59 L60 A63	K29-F33 HydrophobicContact CB-CD2 4.06Å; K29-F33 HydrophobicContact CB-CE2 4.13Å; K29-F33 HydrophobicContact CG-CE2 4.17Å; K29-F33 WeakPolarHBondContact O-CB 3.43Å; K29-F33 WeakPolarHBondContact O-CD2 2.99Å; K29-F33 PolarHBondContact O-N 2.98Å; F33-V59 HydrophobicContact CE2-CG1 4.03Å; F33-V59 HydrophobicContact CZ-CG1 4.18Å; F33-L60 HydrophobicContact CZ-CD2 4.08Å; F33-A63 HydrophobicContact CE1-CB 3.5Å; F33-A63 VanDerWaalsContact CE1-CB 3.5Å; F33-A63 HydrophobicContact CZ-CB 3.6Å
34	N	91.7	Very high	92.6	Very high	121 Å²	121	64.6 Å²	64.6	65%	0.647	34%	0.341	S	S	*	.	H	α-helix	trans	-112.4	7.4	-177.4	-53.3	-25.8	0	0	0	113.6	E30	E30-N34 WeakPolarHBondContact O-CB 3.47Å; E30-N34 PolarHBondContact O-N 3.41Å
35	S	85.2	Confident	92.7	Very high	55 Å²	55	63.8 Å²	63.8	39%	0.385	34%	0.335	S	S	.	.			trans	-77	134.7	173.9	-169	0	0	0	0	111	I31 T37	I31-S35 WeakPolarHBondContact O-CB 3.42Å; I31-S35 PolarHBondContact O-N 3.29Å; S35-T37 PolarHBondContact O-N 3.03Å; S35-T37 PolarHBondContact OG-N 3.48Å; S35-T37 PolarHBondContact OG-O 3.31Å
36	D	84.2	Confident	92.6	Very high	168 Å²	168	63.3 Å²	63.3	90%	0.898	33%	0.333	S	S	*	.	S	Bend	trans	-65.7	-22.7	171.2	-63.9	-42.9	0	0	0	112.4
37	T	84.9	Confident	92.3	Very high	93 Å²	93	62.7 Å²	62.7	57%	0.571	33%	0.325	S	S	*	.	S	Bend	trans	-103.7	128	-179.3	-54.5	0	0	0	0	109.6	S35 I39	S35-T37 PolarHBondContact O-N 3.03Å; S35-T37 PolarHBondContact OG-N 3.48Å; S35-T37 PolarHBondContact OG-O 3.31Å; T37-I39 PolarHBondContact O-N 3.12Å
38	P	87.5	Confident	91.8	Very high	104 Å²	104	60 Å²	60	68%	0.675	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-62.3	133.7	176.7	26.3	-33.7	0	0	0	110.7
39	I	94.7	Very high	91.1	Very high	19 Å²	19	67.1 Å²	67.1	10%	0.097	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-86.3	120.7	172.3	-58.8	179.5	0	0	0	107.5	I31 I32 T37 I42 S67	I31-I39 HydrophobicContact CG2-CD1 3.96Å; I32-I39 HydrophobicContact CB-CD1 4.47Å; I32-I39 HydrophobicContact CG1-CD1 3.97Å; T37-I39 PolarHBondContact O-N 3.12Å; I39-I42 HydrophobicContact CG2-CG1 3.96Å; I39-S67 VanDerWaalsContact O-CB 3.28Å; I39-S67 WeakPolarHBondContact O-CB 3.3Å; I39-S67 PolarHBondContact O-OG 3.34Å
40	D	95.1	Very high	90.4	Very high	82 Å²	82	73.5 Å²	73.5	44%	0.439	37%	0.373	S	S	.	.			trans	-80.7	-38.4	-179.9	-60.1	-61.4	0	0	0	112.6	D68 W109 K113	D40-D68 PolarHBondContact O-N 2.99Å; D40-W109 HydrophobicContact CB-CH2 3.62Å; D40-W109 HydrophobicContact CB-CZ2 3.97Å; D40-K113 IonicContact OD1-NZ 2.76Å; D40-K113 PolarHBondContact OD1-NZ 2.93Å; D40-K113 IonicContact OD2-NZ 3Å
41	L	96.5	Very high	90.2	Very high	30 Å²	30	72.4 Å²	72.4	16%	0.157	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	134	-171.9	-179.5	67.8	0	0	0	111.1	F16 L43 D68 I70 V90 L106 W109	F16-L41 HydrophobicContact CE1-CD2 4.13Å; L41-L43 HydrophobicContact CD2-CD2 4.11Å; L41-L43 HydrophobicContact CG-CD2 4.26Å; L41-D68 CarbonylContact C-O 3.49Å; L41-D68 WeakPolarHBondContact CA-O 3.39Å; L41-D68 HydrophobicContact CD1-CB 3.98Å; L41-I70 HydrophobicContact CD1-CD1 3.91Å; L41-I70 HydrophobicContact CD1-CG1 3.88Å; L41-I70 HydrophobicContact CD2-CD1 4.02Å; L41-V90 HydrophobicContact CD1-CG2 4.38Å; L41-L106 HydrophobicContact CD2-CD2 3.34Å; L41-W109 HydrophobicContact CB-CD2 4.43Å; L41-W109 HydrophobicContact CB-CE3 4.46Å; L41-W109 HydrophobicContact CB-CH2 3.82Å; L41-W109 HydrophobicContact CB-CZ2 3.77Å; L41-W109 HydrophobicContact CB-CZ3 4.18Å; L41-W109 HydrophobicContact CD1-CD2 4.11Å; L41-W109 HydrophobicContact CD1-CG 4.24Å; L41-W109 HydrophobicContact CD1-CZ2 4.47Å; L41-W109 HydrophobicContact CD2-CD2 3.95Å; L41-W109 HydrophobicContact CD2-CE3 3.84Å; L41-W109 HydrophobicContact CD2-CG 4.45Å; L41-W109 HydrophobicContact CD2-CZ3 4.2Å; L41-W109 HydrophobicContact CG-CD2 4.4Å
42	I	96.1	Very high	90	Very high	20 Å²	20	73.7 Å²	73.7	10%	0.103	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.5	176.8	-61.8	164.6	0	0	0	108.8	I32 I39 L44 L60 D68 V69 I70	I32-I42 HydrophobicContact CD1-CD1 3.66Å; I32-I42 HydrophobicContact CD1-CG1 4.45Å; I32-I42 HydrophobicContact CG1-CD1 4.12Å; I39-I42 HydrophobicContact CG2-CG1 3.96Å; I42-L44 HydrophobicContact CG2-CB 4.45Å; I42-L60 HydrophobicContact CD1-CD1 3.81Å; I42-L60 HydrophobicContact CD1-CD2 4.46Å; I42-D68 PolarHBondContact N-O 3.28Å; I42-V69 HydrophobicContact CB-CG2 4.25Å; I42-V69 HydrophobicContact CD1-CG2 4.31Å; I42-V69 WeakPolarHBondContact O-CA 3.46Å; I42-I70 PolarHBondContact O-N 3.22Å
43	L	95.9	Very high	89.9	Confident	50 Å²	50	72.6 Å²	72.6	26%	0.262	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	103.7	169.8	-55.6	-173.8	0	0	0	108.9	V10 L41 I70 I72 F102 L106	V10-L43 HydrophobicContact CG2-CD1 3.71Å; L41-L43 HydrophobicContact CD2-CD2 4.11Å; L41-L43 HydrophobicContact CG-CD2 4.26Å; L43-I70 WeakPolarHBondContact CA-O 3.31Å; L43-I70 HydrophobicContact CD2-CB 3.86Å; L43-I70 HydrophobicContact CD2-CD1 4.36Å; L43-I70 HydrophobicContact CD2-CG2 4.31Å; L43-I72 HydrophobicContact CB-CD1 4.08Å; L43-I72 HydrophobicContact CD1-CD1 4.22Å; L43-I72 HydrophobicContact CD2-CD1 4.22Å; L43-I72 HydrophobicContact CG-CD1 4.4Å; L43-F102 HydrophobicContact CD1-CE2 3.96Å; L43-F102 HydrophobicContact CD1-CZ 3.58Å; L43-L106 HydrophobicContact CD2-CD2 4.03Å
44	L	95.4	Very high	89.9	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.031	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.1	-170.8	179.3	60.9	0	0	0	111.6	I42 M48 G53 L56 L57 V69 I70 V71 I72	I42-L44 HydrophobicContact CG2-CB 4.45Å; L44-M48 HydrophobicContact CD1-SD 4.42Å; L44-G53 WeakPolarHBondContact CD2-O 3.37Å; L44-L56 HydrophobicContact CD1-CB 4.45Å; L44-L56 HydrophobicContact CD1-CD2 3.95Å; L44-L57 HydrophobicContact CD2-CD1 4.49Å; L44-L57 HydrophobicContact CD2-CD2 3.65Å; L44-L57 HydrophobicContact CD2-CG 3.9Å; L44-V69 HydrophobicContact CB-CG1 3.81Å; L44-V69 HydrophobicContact CD2-CG1 4.12Å; L44-I70 PolarHBondContact N-O 2.9Å; L44-V71 HydrophobicContact CD2-CG2 4.43Å; L44-V71 CarbonylContact O-C 3.6Å; L44-V71 WeakPolarHBondContact O-CA 3.48Å; L44-I72 PolarHBondContact O-N 3.07Å
45	D	93.4	Very high	90	Very high	25 Å²	25	67.9 Å²	67.9	13%	0.134	35%	0.349	C	S	.	.			trans	-89.9	137.1	165.2	-159.7	-12.2	0	0	0	109.5	Y47 M48 G53 I72 K95	D45-Y47 PolarHBondContact OD1-N 3.38Å; D45-M48 HydrophobicContact CB-CG 4.23Å; D45-M48 VanDerWaalsContact O-CG 3.26Å; D45-M48 WeakPolarHBondContact O-CG 3.29Å; D45-G53 WeakPolarHBondContact O-CA 3.48Å; D45-I72 WeakPolarHBondContact CA-O 3.44Å; D45-K95 IonicContact OD1-NZ 3.88Å; D45-K95 PolarHBondContact OD1-NZ 2.78Å; D45-K95 IonicContact OD2-NZ 3.76Å; D45-K95 PolarHBondContact OD2-NZ 3.12Å
46	I	91.2	Very high	90.5	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.015	33%	0.331	C	S	.	.	S	Bend	trans	-80.8	-38.9	177.5	-67.8	179.7	0	0	0	110.6	M48 N52 G53 L54 V71 S73 A75 T80 Y92	I46-M48 PolarHBondContact O-N 3.32Å; I46-N52 WeakPolarHBondContact CG2-OD1 2.99Å; I46-G53 PolarHBondContact O-N 3.28Å; I46-L54 HydrophobicContact CD1-CD1 4.14Å; I46-L54 HydrophobicContact CD1-CD2 3.57Å; I46-L54 HydrophobicContact CD1-CG 3.75Å; I46-L54 HydrophobicContact CG1-CD2 3.93Å; I46-L54 HydrophobicContact CG1-CG 3.87Å; I46-L54 HydrophobicContact CG2-CD1 4.24Å; I46-L54 HydrophobicContact CG2-CG 4.04Å; I46-V71 HydrophobicContact CD1-CG1 3.7Å; I46-V71 HydrophobicContact CG1-CG1 3.81Å; I46-S73 WeakPolarHBondContact CB-OG 3.44Å; I46-A75 HydrophobicContact CD1-CB 4.25Å; I46-T80 HydrophobicContact CD1-CG2 3.39Å; I46-Y92 HydrophobicContact CD1-CE2 4.14Å; I46-Y92 WeakPolarHBondContact CD1-OH 3.35Å
47	Y	87.6	Confident	91.1	Very high	137 Å²	137	57.7 Å²	57.7	54%	0.537	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	80.2	-177.3	-64.7	-62	0	0	0	110.2	D45 S74 A75	D45-Y47 PolarHBondContact OD1-N 3.38Å; Y47-S74 VanDerWaalsContact CD2-OG 3.23Å; Y47-S74 WeakPolarHBondContact CD2-OG 3.38Å; Y47-S74 WeakPolarHBondContact CE2-OG 3.47Å; Y47-A75 HydrophobicContact CE2-CB 3.74Å
48	M	83.9	Confident	91.6	Very high	22 Å²	22	54.8 Å²	54.8	11%	0.108	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	86	-178.4	-65.8	-172.8	68.2	0	0	111.4	A22 S23 L25 L44 D45 I46 K50 E51	A22-M48 WeakPolarHBondContact O-CE 3.47Å; S23-M48 VanDerWaalsContact C-CE 3.45Å; L25-M48 HydrophobicContact CD2-SD 4.43Å; L44-M48 HydrophobicContact CD1-SD 4.42Å; D45-M48 HydrophobicContact CB-CG 4.23Å; D45-M48 VanDerWaalsContact O-CG 3.26Å; D45-M48 WeakPolarHBondContact O-CG 3.29Å; I46-M48 PolarHBondContact O-N 3.32Å; M48-K50 PolarHBondContact O-N 3.2Å; M48-E51 CarbonylContact C-O 3.58Å; M48-E51 PolarHBondContact N-O 3.05Å; M48-E51 VanDerWaalsContact N-O 3.16Å; M48-E51 PolarHBondContact O-N 3.2Å
49	Q	80.3	Confident	92	Very high	160 Å²	160	52 Å²	52	75%	0.748	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-96.5	179.4	-55.3	-178.2	12.8	0	0	113.1
50	K	80.2	Confident	92.1	Very high	208 Å²	208	51.5 Å²	51.5	90%	0.904	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	1.5	179.9	-67	-174.8	178.4	-177.3	0	113.5	M48	M48-K50 PolarHBondContact O-N 3.2Å
51	E	88.2	Confident	92	Very high	69 Å²	69	53 Å²	53	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.6	-175.2	-63	178.6	142.8	0	0	110.6	T24 L25 M48	T24-E51 WeakPolarHBondContact CA-OE2 3.34Å; T24-E51 VanDerWaalsContact CB-OE2 3.26Å; T24-E51 WeakPolarHBondContact CB-OE2 3.45Å; L25-E51 HydrophobicContact CD1-CB 4.03Å; L25-E51 HydrophobicContact CG-CB 4.01Å; L25-E51 PolarHBondContact N-OE2 2.87Å; M48-E51 CarbonylContact C-O 3.58Å; M48-E51 PolarHBondContact N-O 3.05Å; M48-E51 VanDerWaalsContact N-O 3.16Å; M48-E51 PolarHBondContact O-N 3.2Å
52	N	90.8	Very high	91.9	Very high	65 Å²	65	57.7 Å²	57.7	35%	0.348	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112	173	-175.7	-4.8	0	0	0	109.3	I46 L54 D55	I46-N52 WeakPolarHBondContact CG2-OD1 2.99Å; N52-L54 PolarHBondContact O-N 3.36Å; N52-L54 VanDerWaalsContact O-N 3.15Å; N52-L54 WeakPolarHBondContact OD1-CB 3.46Å; N52-L54 PolarHBondContact OD1-N 3.37Å; N52-D55 VanDerWaalsContact O-CB 3.31Å; N52-D55 WeakPolarHBondContact O-CB 3.42Å; N52-D55 PolarHBondContact O-N 3.28Å
53	G	91.5	Very high	91.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-56	-28.9	177.7	0	0	0	0	0	113.7	L44 D45 I46 D55 L56	L44-G53 WeakPolarHBondContact CD2-O 3.37Å; D45-G53 WeakPolarHBondContact O-CA 3.48Å; I46-G53 PolarHBondContact O-N 3.28Å; G53-D55 PolarHBondContact O-N 3.49Å; G53-L56 WeakPolarHBondContact O-CB 3.29Å; G53-L56 PolarHBondContact O-N 2.96Å
54	L	93.1	Very high	91.7	Very high	20 Å²	20	67.6 Å²	67.6	11%	0.105	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-58.2	-30.2	175.6	-69.5	171.9	0	0	0	112.4	I46 N52 L56 L57 P58 T80	I46-L54 HydrophobicContact CD1-CD1 4.14Å; I46-L54 HydrophobicContact CD1-CD2 3.57Å; I46-L54 HydrophobicContact CD1-CG 3.75Å; I46-L54 HydrophobicContact CG1-CD2 3.93Å; I46-L54 HydrophobicContact CG1-CG 3.87Å; I46-L54 HydrophobicContact CG2-CD1 4.24Å; I46-L54 HydrophobicContact CG2-CG 4.04Å; N52-L54 PolarHBondContact O-N 3.36Å; N52-L54 VanDerWaalsContact O-N 3.15Å; N52-L54 WeakPolarHBondContact OD1-CB 3.46Å; N52-L54 PolarHBondContact OD1-N 3.37Å; L54-L56 PolarHBondContact O-N 3.02Å; L54-L56 VanDerWaalsContact O-N 3.08Å; L54-L57 HydrophobicContact CD2-CD1 3.89Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 PolarHBondContact O-N 3.38Å; L54-P58 WeakPolarHBondContact O-CD 3.35Å; L54-T80 HydrophobicContact CD1-CG2 3.75Å; L54-T80 HydrophobicContact CD2-CG2 4.44Å
55	D	94.8	Very high	91.6	Very high	90 Å²	90	69 Å²	69	48%	0.481	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-65.6	-12.4	179.1	-59.7	-21.4	0	0	0	112.2	L25 N52 G53	L25-D55 HydrophobicContact CD1-CB 3.91Å; N52-D55 VanDerWaalsContact O-CB 3.31Å; N52-D55 WeakPolarHBondContact O-CB 3.42Å; N52-D55 PolarHBondContact O-N 3.28Å; G53-D55 PolarHBondContact O-N 3.49Å
56	L	95.6	Very high	91.5	Very high	2 Å²	2	77.5 Å²	77.5	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-72.6	-36.4	170.7	-166.5	59.1	0	0	0	112.1	L25 A28 K29 I32 L44 G53 L54 V59 L60	L25-L56 HydrophobicContact CD2-CB 3.8Å; L25-L56 HydrophobicContact CD2-CD1 4.43Å; A28-L56 HydrophobicContact CB-CD1 4.37Å; A28-L56 HydrophobicContact CB-CD2 4.05Å; K29-L56 HydrophobicContact CG-CD1 3.88Å; I32-L56 HydrophobicContact CD1-CD2 4.21Å; L44-L56 HydrophobicContact CD1-CB 4.45Å; L44-L56 HydrophobicContact CD1-CD2 3.95Å; G53-L56 WeakPolarHBondContact O-CB 3.29Å; G53-L56 PolarHBondContact O-N 2.96Å; L54-L56 PolarHBondContact O-N 3.02Å; L54-L56 VanDerWaalsContact O-N 3.08Å; L56-V59 WeakPolarHBondContact O-CB 3.38Å; L56-V59 PolarHBondContact O-N 3.07Å; L56-V59 VanDerWaalsContact O-N 3.07Å; L56-L60 HydrophobicContact CD1-CG 4.46Å; L56-L60 HydrophobicContact CD2-CD1 4.22Å; L56-L60 HydrophobicContact CG-CD1 3.94Å; L56-L60 HydrophobicContact CG-CD2 4.47Å; L56-L60 HydrophobicContact CG-CG 4.01Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 2.85Å
57	L	96.4	Very high	91.6	Very high	7 Å²	7	78.3 Å²	78.3	4%	0.037	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-47	-172.6	-60.9	177.9	0	0	0	113.3	L44 L54 V59 L60 H61 V69 Y87 V89	L44-L57 HydrophobicContact CD2-CD1 4.49Å; L44-L57 HydrophobicContact CD2-CD2 3.65Å; L44-L57 HydrophobicContact CD2-CG 3.9Å; L54-L57 HydrophobicContact CD2-CD1 3.89Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 PolarHBondContact O-N 3.38Å; L57-V59 PolarHBondContact O-N 3.48Å; L57-L60 PolarHBondContact O-N 3.04Å; L57-H61 WeakPolarHBondContact O-CB 3.26Å; L57-H61 PolarHBondContact O-N 2.84Å; L57-V69 HydrophobicContact CD2-CB 4.26Å; L57-V69 HydrophobicContact CD2-CG1 3.85Å; L57-V69 HydrophobicContact CD2-CG2 4.24Å; L57-Y87 HydrophobicContact CB-CD1 4.42Å; L57-Y87 HydrophobicContact CB-CD2 3.77Å; L57-Y87 HydrophobicContact CB-CG 3.7Å; L57-Y87 HydrophobicContact CD1-CD2 4.21Å; L57-V89 HydrophobicContact CD1-CG1 3.88Å; L57-V89 HydrophobicContact CD2-CG1 3.85Å
58	P	95.9	Very high	92	Very high	32 Å²	32	74.5 Å²	74.5	21%	0.208	37%	0.365	C	S	.	.	H	α-helix	trans	-59.6	-35.7	174.4	-13	19.3	0	0	0	112.7	L54 N62 Y87	L54-P58 WeakPolarHBondContact O-CD 3.35Å; P58-N62 VanDerWaalsContact O-CB 3.26Å; P58-N62 WeakPolarHBondContact O-CB 3.47Å; P58-N62 PolarHBondContact O-N 2.8Å; P58-N62 PolarHBondContact O-ND2 3.26Å; P58-Y87 HydrophobicContact CB-CE1 3.85Å; P58-Y87 HydrophobicContact CG-CE1 3.95Å; P58-Y87 HydrophobicContact CG-CE2 3.97Å
59	V	95.6	Very high	92.7	Very high	45 Å²	45	74 Å²	74	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-67.6	-45.4	-179.9	179.4	0	0	0	0	110.5	K29 F33 L56 L57 N62 A63	K29-V59 HydrophobicContact CD-CG1 4.3Å; K29-V59 HydrophobicContact CG-CG1 4.38Å; F33-V59 HydrophobicContact CE2-CG1 4.03Å; F33-V59 HydrophobicContact CZ-CG1 4.18Å; L56-V59 WeakPolarHBondContact O-CB 3.38Å; L56-V59 PolarHBondContact O-N 3.07Å; L56-V59 VanDerWaalsContact O-N 3.07Å; L57-V59 PolarHBondContact O-N 3.48Å; V59-N62 PolarHBondContact O-N 3.08Å; V59-A63 VanDerWaalsContact O-CB 3.28Å; V59-A63 WeakPolarHBondContact O-CB 3.46Å; V59-A63 PolarHBondContact O-N 3.19Å
60	L	95.6	Very high	93.5	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-45.1	176.6	-62.6	178.3	0	0	0	111.4	I32 F33 I42 L56 L57 A63 R64 C65 V69	I32-L60 HydrophobicContact CD1-CD2 3.92Å; I32-L60 HydrophobicContact CG2-CD2 3.87Å; F33-L60 HydrophobicContact CZ-CD2 4.08Å; I42-L60 HydrophobicContact CD1-CD1 3.81Å; I42-L60 HydrophobicContact CD1-CD2 4.46Å; L56-L60 HydrophobicContact CD1-CG 4.46Å; L56-L60 HydrophobicContact CD2-CD1 4.22Å; L56-L60 HydrophobicContact CG-CD1 3.94Å; L56-L60 HydrophobicContact CG-CD2 4.47Å; L56-L60 HydrophobicContact CG-CG 4.01Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 2.85Å; L57-L60 PolarHBondContact O-N 3.04Å; L60-A63 PolarHBondContact O-N 3.34Å; L60-R64 PolarHBondContact O-N 3.35Å; L60-C65 HydrophobicContact CB-CB 4.04Å; L60-C65 HydrophobicContact CD2-CB 4.15Å; L60-C65 VanDerWaalsContact O-CB 3.31Å; L60-C65 WeakPolarHBondContact O-CB 3.37Å; L60-C65 PolarHBondContact O-N 3.23Å; L60-V69 HydrophobicContact CD1-CG2 3.87Å
61	H	94.1	Very high	94.2	Very high	115 Å²	115	56.6 Å²	56.6	53%	0.532	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-49.9	177	178.1	-88.7	0	0	0	111.7	L57 A63 R64 Y87	L57-H61 WeakPolarHBondContact O-CB 3.26Å; L57-H61 PolarHBondContact O-N 2.84Å; H61-A63 VanDerWaalsContact C-N 3.3Å; H61-A63 PolarHBondContact O-N 3.38Å; H61-R64 PolarHBondContact O-N 3.18Å; H61-Y87 HydrophobicContact CB-CD1 4.19Å
62	N	94.9	Very high	94.5	Very high	127 Å²	127	53.3 Å²	53.3	68%	0.679	27%	0.269	S	S	*	.	H	α-helix	trans	-65.6	-33	-179.5	-71.3	-19.4	0	0	0	112.8	P58 V59 R64	P58-N62 VanDerWaalsContact O-CB 3.26Å; P58-N62 WeakPolarHBondContact O-CB 3.47Å; P58-N62 PolarHBondContact O-N 2.8Å; P58-N62 PolarHBondContact O-ND2 3.26Å; V59-N62 PolarHBondContact O-N 3.08Å; N62-R64 PolarHBondContact O-N 3.42Å
63	A	94.1	Very high	94.5	Very high	53 Å²	53	50.2 Å²	50.2	44%	0.438	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.6	173.9	0	0	0	0	0	113.4	F33 V59 L60 H61 C65	F33-A63 HydrophobicContact CE1-CB 3.5Å; F33-A63 VanDerWaalsContact CE1-CB 3.5Å; F33-A63 HydrophobicContact CZ-CB 3.6Å; V59-A63 VanDerWaalsContact O-CB 3.28Å; V59-A63 WeakPolarHBondContact O-CB 3.46Å; V59-A63 PolarHBondContact O-N 3.19Å; L60-A63 PolarHBondContact O-N 3.34Å; H61-A63 VanDerWaalsContact C-N 3.3Å; H61-A63 PolarHBondContact O-N 3.38Å; A63-C65 PolarHBondContact O-N 3.11Å
64	R	92.4	Very high	94.5	Very high	226 Å²	226	53.5 Å²	53.5	85%	0.853	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	39.1	-171.7	-57.9	-177.3	179.6	-174.5	-0.8	111.9	L60 H61 N62 K66	L60-R64 PolarHBondContact O-N 3.35Å; H61-R64 PolarHBondContact O-N 3.18Å; N62-R64 PolarHBondContact O-N 3.42Å; R64-K66 PolarHBondContact O-N 3.41Å
65	C	93.1	Very high	94.3	Very high	36 Å²	36	52.6 Å²	52.6	24%	0.243	27%	0.271	C	S	.	.			trans	-59.8	132.3	176.2	-171	0	0	0	0	109	L60 A63 S67	L60-C65 HydrophobicContact CB-CB 4.04Å; L60-C65 HydrophobicContact CD2-CB 4.15Å; L60-C65 VanDerWaalsContact O-CB 3.31Å; L60-C65 WeakPolarHBondContact O-CB 3.37Å; L60-C65 PolarHBondContact O-N 3.23Å; A63-C65 PolarHBondContact O-N 3.11Å; C65-S67 VanDerWaalsContact C-N 3.34Å; C65-S67 PolarHBondContact SG-OG 3.06Å; C65-S67 VanDerWaalsContact SG-OG 3.38Å
66	K	91.4	Very high	94.1	Very high	203 Å²	203	51.1 Å²	51.1	88%	0.883	27%	0.272	S	S	*	.			trans	-89.2	-2.2	180	-65.4	-172.5	178.2	-177	0	113.4	R64	R64-K66 PolarHBondContact O-N 3.41Å
67	S	94.9	Very high	94	Very high	19 Å²	19	54.3 Å²	54.3	13%	0.133	29%	0.289	C	S	.	.			trans	-70.8	129.5	177.3	-52.7	0	0	0	0	109.7	I39 C65	I39-S67 VanDerWaalsContact O-CB 3.28Å; I39-S67 WeakPolarHBondContact O-CB 3.3Å; I39-S67 PolarHBondContact O-OG 3.34Å; C65-S67 VanDerWaalsContact C-N 3.34Å; C65-S67 PolarHBondContact SG-OG 3.06Å; C65-S67 VanDerWaalsContact SG-OG 3.38Å
68	D	96.2	Very high	93.8	Very high	58 Å²	58	57.8 Å²	57.8	31%	0.31	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	154.6	171	-70.3	-44.8	0	0	0	110.1	D40 L41 I42 V90 W109	D40-D68 PolarHBondContact O-N 2.99Å; L41-D68 CarbonylContact C-O 3.49Å; L41-D68 WeakPolarHBondContact CA-O 3.39Å; L41-D68 HydrophobicContact CD1-CB 3.98Å; I42-D68 PolarHBondContact N-O 3.28Å; D68-V90 HydrophobicContact CB-CG1 3.85Å; D68-V90 HydrophobicContact CB-CG2 4.08Å; D68-W109 VanDerWaalsContact CB-NE1 3.32Å; D68-W109 PolarHBondContact OD2-NE1 3.1Å
69	V	97.5	Very high	93.6	Very high	12 Å²	12	59.1 Å²	59.1	7%	0.073	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.5	-178.5	-173.8	0	0	0	0	110.5	I42 L44 L57 L60 V71 V89 V90	I42-V69 HydrophobicContact CB-CG2 4.25Å; I42-V69 HydrophobicContact CD1-CG2 4.31Å; I42-V69 WeakPolarHBondContact O-CA 3.46Å; L44-V69 HydrophobicContact CB-CG1 3.81Å; L44-V69 HydrophobicContact CD2-CG1 4.12Å; L57-V69 HydrophobicContact CD2-CB 4.26Å; L57-V69 HydrophobicContact CD2-CG1 3.85Å; L57-V69 HydrophobicContact CD2-CG2 4.24Å; L60-V69 HydrophobicContact CD1-CG2 3.87Å; V69-V71 HydrophobicContact CG1-CG2 4.48Å; V69-V89 HydrophobicContact CB-CG1 4.19Å; V69-V89 HydrophobicContact CG1-CG1 4.21Å; V69-V89 CarbonylContact O-C 3.55Å; V69-V89 VanDerWaalsContact O-CA 3.32Å; V69-V89 WeakPolarHBondContact O-CA 3.4Å; V69-V89 WeakPolarHBondContact O-CB 3.2Å; V69-V90 WeakPolarHBondContact O-CG2 3.41Å; V69-V90 PolarHBondContact O-N 2.93Å
70	I	97.2	Very high	93.4	Very high	1 Å²	1	58 Å²	58	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.5	165.2	-67.7	171.5	0	0	0	108	L41 I42 L43 L44 I72 V90 D91 L93 A105 L106 W109	L41-I70 HydrophobicContact CD1-CD1 3.91Å; L41-I70 HydrophobicContact CD1-CG1 3.88Å; L41-I70 HydrophobicContact CD2-CD1 4.02Å; I42-I70 PolarHBondContact O-N 3.22Å; L43-I70 WeakPolarHBondContact CA-O 3.31Å; L43-I70 HydrophobicContact CD2-CB 3.86Å; L43-I70 HydrophobicContact CD2-CD1 4.36Å; L43-I70 HydrophobicContact CD2-CG2 4.31Å; L44-I70 PolarHBondContact N-O 2.9Å; I70-I72 HydrophobicContact CG2-CG1 4.07Å; I70-V90 HydrophobicContact CD1-CG2 4.31Å; I70-V90 HydrophobicContact CG1-CG2 3.53Å; I70-D91 WeakPolarHBondContact CA-O 3.49Å; I70-D91 HydrophobicContact CD1-CB 4.34Å; I70-D91 HydrophobicContact CG1-CB 3.9Å; I70-D91 HydrophobicContact CG2-CB 4.14Å; I70-L93 HydrophobicContact CG2-CD1 3.78Å; I70-A105 HydrophobicContact CD1-CB 4.28Å; I70-L106 HydrophobicContact CD1-CD2 4.25Å; I70-W109 HydrophobicContact CD1-CB 4.41Å
71	V	95.9	Very high	93.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.6	176.6	177.5	0	0	0	0	109.8	L44 I46 V69 V89 D91 Y92 L93	L44-V71 HydrophobicContact CD2-CG2 4.43Å; L44-V71 CarbonylContact O-C 3.6Å; L44-V71 WeakPolarHBondContact O-CA 3.48Å; I46-V71 HydrophobicContact CD1-CG1 3.7Å; I46-V71 HydrophobicContact CG1-CG1 3.81Å; V69-V71 HydrophobicContact CG1-CG2 4.48Å; V71-V89 HydrophobicContact CG2-CB 4.2Å; V71-V89 HydrophobicContact CG2-CG1 3.67Å; V71-V89 HydrophobicContact CG2-CG2 4.46Å; V71-D91 PolarHBondContact N-O 3.27Å; V71-Y92 HydrophobicContact CB-CD2 3.57Å; V71-Y92 HydrophobicContact CB-CE2 3.84Å; V71-Y92 HydrophobicContact CB-CG 4.18Å; V71-Y92 HydrophobicContact CG1-CD2 3.66Å; V71-Y92 HydrophobicContact CG1-CE2 3.35Å; V71-Y92 HydrophobicContact CG1-CG 4.37Å; V71-Y92 HydrophobicContact CG2-CD2 4.26Å; V71-Y92 HydrophobicContact CG2-CE2 4.5Å; V71-Y92 CarbonylContact O-C 3.5Å; V71-Y92 WeakPolarHBondContact O-CA 3.35Å; V71-L93 PolarHBondContact O-N 2.9Å
72	I	93.9	Very high	93.3	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	95.2	179.9	-51.8	-169.2	0	0	0	108.5	L43 L44 D45 I70 L93 K95 F97 F102	L43-I72 HydrophobicContact CB-CD1 4.08Å; L43-I72 HydrophobicContact CD1-CD1 4.22Å; L43-I72 HydrophobicContact CD2-CD1 4.22Å; L43-I72 HydrophobicContact CG-CD1 4.4Å; L44-I72 PolarHBondContact O-N 3.07Å; D45-I72 WeakPolarHBondContact CA-O 3.44Å; I70-I72 HydrophobicContact CG2-CG1 4.07Å; I72-L93 WeakPolarHBondContact CA-O 3.23Å; I72-L93 HydrophobicContact CG1-CB 4.37Å; I72-L93 HydrophobicContact CG2-CB 4.39Å; I72-K95 HydrophobicContact CG2-CG 4.44Å; I72-K95 WeakPolarHBondContact O-CE 3.46Å; I72-K95 PolarHBondContact O-NZ 3.37Å; I72-K95 VanDerWaalsContact O-NZ 3.09Å; I72-F97 HydrophobicContact CG2-CD1 4.44Å; I72-F97 HydrophobicContact CG2-CE1 3.25Å; I72-F97 HydrophobicContact CG2-CZ 3.43Å; I72-F97 VanDerWaalsContact CG2-CZ 3.43Å; I72-F102 HydrophobicContact CD1-CD2 3.94Å; I72-F102 HydrophobicContact CD1-CE2 3.44Å; I72-F102 VanDerWaalsContact CD1-CE2 3.44Å
73	S	91.4	Very high	93.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.7	-166.6	-178.3	0	0	0	0	112.8	I46 A75 L93 I94 K95	I46-S73 WeakPolarHBondContact CB-OG 3.44Å; S73-A75 VanDerWaalsContact C-N 3.29Å; S73-A75 WeakPolarHBondContact OG-CB 3.2Å; S73-A75 PolarHBondContact OG-N 3.04Å; S73-L93 PolarHBondContact N-O 2.83Å; S73-I94 CarbonylContact O-C 3.57Å; S73-I94 VanDerWaalsContact O-CA 3.29Å; S73-I94 WeakPolarHBondContact O-CA 3.4Å; S73-K95 PolarHBondContact O-N 2.87Å
74	S	91	Very high	93.2	Very high	68 Å²	68	57.1 Å²	57.1	48%	0.476	31%	0.309	S	S	.	.	S	Bend	trans	-82.9	-6.7	165.5	55.7	0	0	0	0	112.9	Y47 A76	Y47-S74 VanDerWaalsContact CD2-OG 3.23Å; Y47-S74 WeakPolarHBondContact CD2-OG 3.38Å; Y47-S74 WeakPolarHBondContact CE2-OG 3.47Å; S74-A76 PolarHBondContact O-N 2.98Å
75	A	89.4	Confident	93.2	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	30%	0.295	C	S	.	.			trans	-68.9	125	173.7	0	0	0	0	0	108.9	I46 Y47 S73 T80 Y92	I46-A75 HydrophobicContact CD1-CB 4.25Å; Y47-A75 HydrophobicContact CE2-CB 3.74Å; S73-A75 VanDerWaalsContact C-N 3.29Å; S73-A75 WeakPolarHBondContact OG-CB 3.2Å; S73-A75 PolarHBondContact OG-N 3.04Å; A75-T80 HydrophobicContact CB-CG2 3.68Å; A75-Y92 WeakPolarHBondContact O-CE1 3.29Å; A75-Y92 PolarHBondContact O-OH 3.2Å
76	A	90.4	Very high	93.3	Very high	59 Å²	59	56.7 Å²	56.7	49%	0.488	32%	0.316	S	S	.	.			trans	-129.4	6.8	-178.7	0	0	0	0	0	111.8	S74 I94	S74-A76 PolarHBondContact O-N 2.98Å; A76-I94 HydrophobicContact CB-CD1 4.11Å; A76-I94 HydrophobicContact CB-CG2 4.04Å
77	D	92.3	Very high	93.5	Very high	69 Å²	69	51.2 Å²	51.2	37%	0.369	29%	0.29	S	S	.	.			trans	-71.7	143.8	175.5	63	99.2	0	0	0	110.8	A79 T80 I81	D77-A79 PolarHBondContact O-N 3.38Å; D77-T80 VanDerWaalsContact CG-OG1 3.22Å; D77-T80 PolarHBondContact O-N 2.82Å; D77-T80 WeakPolarHBondContact OD1-CB 3.4Å; D77-T80 PolarHBondContact OD1-N 3.08Å; D77-T80 PolarHBondContact OD1-OG1 3.46Å; D77-T80 WeakPolarHBondContact OD2-CB 3.3Å; D77-T80 PolarHBondContact OD2-OG1 3.23Å; D77-I81 WeakPolarHBondContact O-CG1 3.45Å; D77-I81 PolarHBondContact O-N 3.01Å; D77-I81 VanDerWaalsContact O-N 3.15Å
78	A	92	Very high	93.4	Very high	80 Å²	80	52.8 Å²	52.8	66%	0.661	31%	0.31	S	S	*	.	H	α-helix	trans	-62.9	-30.2	-174.7	0	0	0	0	0	113	K82	A78-K82 WeakPolarHBondContact O-CB 3.29Å; A78-K82 PolarHBondContact O-N 3.25Å
79	A	92.7	Very high	93.3	Very high	60 Å²	60	50.7 Å²	50.7	50%	0.496	30%	0.299	S	S	.	.	H	α-helix	trans	-64.7	-53.1	178.5	0	0	0	0	0	110.5	D77 I81 K82 D83	D77-A79 PolarHBondContact O-N 3.38Å; A79-I81 PolarHBondContact O-N 3.17Å; A79-K82 PolarHBondContact O-N 3.16Å; A79-D83 WeakPolarHBondContact O-CB 2.86Å; A79-D83 VanDerWaalsContact O-CG 3.27Å; A79-D83 PolarHBondContact O-N 3.4Å
80	T	91.7	Very high	93.1	Very high	20 Å²	20	53 Å²	53	12%	0.123	31%	0.313	C	S	.	.	H	α-helix	trans	-57.1	-45.9	176.5	-66.4	0	0	0	0	112.7	I46 L54 A75 D77 D83 S84	I46-T80 HydrophobicContact CD1-CG2 3.39Å; L54-T80 HydrophobicContact CD1-CG2 3.75Å; L54-T80 HydrophobicContact CD2-CG2 4.44Å; A75-T80 HydrophobicContact CB-CG2 3.68Å; D77-T80 VanDerWaalsContact CG-OG1 3.22Å; D77-T80 PolarHBondContact O-N 2.82Å; D77-T80 WeakPolarHBondContact OD1-CB 3.4Å; D77-T80 PolarHBondContact OD1-N 3.08Å; D77-T80 PolarHBondContact OD1-OG1 3.46Å; D77-T80 WeakPolarHBondContact OD2-CB 3.3Å; D77-T80 PolarHBondContact OD2-OG1 3.23Å; T80-D83 PolarHBondContact O-N 2.92Å; T80-S84 WeakPolarHBondContact O-CB 3.01Å; T80-S84 PolarHBondContact O-N 2.94Å; T80-S84 PolarHBondContact O-OG 3.38Å
81	I	92.6	Very high	93	Very high	43 Å²	43	54.9 Å²	54.9	22%	0.221	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-47.4	178.8	-65.9	170.3	0	0	0	109.8	D77 A79 D83 S84 L85 Y92 I94	D77-I81 WeakPolarHBondContact O-CG1 3.45Å; D77-I81 PolarHBondContact O-N 3.01Å; D77-I81 VanDerWaalsContact O-N 3.15Å; A79-I81 PolarHBondContact O-N 3.17Å; I81-D83 PolarHBondContact O-N 3.19Å; I81-S84 PolarHBondContact O-N 3.39Å; I81-S84 PolarHBondContact O-OG 2.81Å; I81-L85 HydrophobicContact CG2-CD1 3.97Å; I81-L85 HydrophobicContact CG2-CG 4.41Å; I81-L85 WeakPolarHBondContact O-CG 2.95Å; I81-L85 PolarHBondContact O-N 3.41Å; I81-Y92 HydrophobicContact CG1-CE1 4.19Å; I81-Y92 HydrophobicContact CG1-CE2 4.17Å; I81-I94 HydrophobicContact CD1-CD1 4.41Å
82	K	93.7	Very high	93	Very high	157 Å²	157	56.1 Å²	56.1	68%	0.683	33%	0.328	S	S	*	.	H	α-helix	trans	-61.1	-43.3	179.4	-174.8	-178.1	178.9	-174.6	0	112.2	A78 A79 S84 L85 H86	A78-K82 WeakPolarHBondContact O-CB 3.29Å; A78-K82 PolarHBondContact O-N 3.25Å; A79-K82 PolarHBondContact O-N 3.16Å; K82-S84 VanDerWaalsContact C-N 3.34Å; K82-L85 PolarHBondContact O-N 2.89Å; K82-H86 WeakPolarHBondContact O-CB 3.36Å; K82-H86 PolarHBondContact O-N 2.78Å
83	D	93.3	Very high	92.9	Very high	86 Å²	86	56.2 Å²	56.2	46%	0.46	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-42.3	178.1	-71	-11.4	0	0	0	110.7	A79 T80 I81 L85 H86 Y87	A79-D83 WeakPolarHBondContact O-CB 2.86Å; A79-D83 VanDerWaalsContact O-CG 3.27Å; A79-D83 PolarHBondContact O-N 3.4Å; T80-D83 PolarHBondContact O-N 2.92Å; I81-D83 PolarHBondContact O-N 3.19Å; D83-L85 PolarHBondContact O-N 3.1Å; D83-H86 WeakPolarHBondContact O-CB 3.15Å; D83-H86 PolarHBondContact O-N 3.38Å; D83-Y87 WeakPolarHBondContact O-CD2 2.99Å; D83-Y87 PolarHBondContact O-N 3.15Å
84	S	94.3	Very high	93	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-44.2	175.5	74.1	0	0	0	0	112.5	T80 I81 K82 H86 Y87 G88 V89 Y92	T80-S84 WeakPolarHBondContact O-CB 3.01Å; T80-S84 PolarHBondContact O-N 2.94Å; T80-S84 PolarHBondContact O-OG 3.38Å; I81-S84 PolarHBondContact O-N 3.39Å; I81-S84 PolarHBondContact O-OG 2.81Å; K82-S84 VanDerWaalsContact C-N 3.34Å; S84-H86 VanDerWaalsContact C-N 3.31Å; S84-H86 PolarHBondContact O-N 3.21Å; S84-Y87 PolarHBondContact O-N 2.92Å; S84-G88 PolarHBondContact O-N 2.87Å; S84-V89 WeakPolarHBondContact O-CG1 3.36Å; S84-V89 WeakPolarHBondContact O-CG2 3.35Å; S84-V89 PolarHBondContact O-N 3.31Å; S84-Y92 WeakPolarHBondContact OG-CD2 3.14Å
85	L	93.3	Very high	92.9	Very high	104 Å²	104	59.1 Å²	59.1	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-64.4	-36	176.8	-68	172.8	0	0	0	111.9	I81 K82 D83 Y87 G88 V89	I81-L85 HydrophobicContact CG2-CD1 3.97Å; I81-L85 HydrophobicContact CG2-CG 4.41Å; I81-L85 WeakPolarHBondContact O-CG 2.95Å; I81-L85 PolarHBondContact O-N 3.41Å; K82-L85 PolarHBondContact O-N 2.89Å; D83-L85 PolarHBondContact O-N 3.1Å; L85-Y87 PolarHBondContact O-N 3.42Å; L85-G88 PolarHBondContact O-N 3.33Å; L85-V89 HydrophobicContact CD2-CG2 4.13Å
86	H	94.5	Very high	92.9	Very high	149 Å²	149	65.6 Å²	65.6	69%	0.69	38%	0.377	S	S	*	.	H	α-helix	trans	-61	-34.7	176.5	-177.1	69.4	0	0	0	112.5	K82 D83 S84 G88	K82-H86 WeakPolarHBondContact O-CB 3.36Å; K82-H86 PolarHBondContact O-N 2.78Å; D83-H86 WeakPolarHBondContact O-CB 3.15Å; D83-H86 PolarHBondContact O-N 3.38Å; S84-H86 VanDerWaalsContact C-N 3.31Å; S84-H86 PolarHBondContact O-N 3.21Å; H86-G88 VanDerWaalsContact C-N 3.25Å; H86-G88 PolarHBondContact O-N 3.33Å
87	Y	95.2	Very high	92.7	Very high	88 Å²	88	65.1 Å²	65.1	35%	0.345	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	5.9	174.6	-70.2	-66	0	0	0	114.4	L57 P58 H61 D83 S84 L85	L57-Y87 HydrophobicContact CB-CD1 4.42Å; L57-Y87 HydrophobicContact CB-CD2 3.77Å; L57-Y87 HydrophobicContact CB-CG 3.7Å; L57-Y87 HydrophobicContact CD1-CD2 4.21Å; P58-Y87 HydrophobicContact CB-CE1 3.85Å; P58-Y87 HydrophobicContact CG-CE1 3.95Å; P58-Y87 HydrophobicContact CG-CE2 3.97Å; H61-Y87 HydrophobicContact CB-CD1 4.19Å; D83-Y87 WeakPolarHBondContact O-CD2 2.99Å; D83-Y87 PolarHBondContact O-N 3.15Å; S84-Y87 PolarHBondContact O-N 2.92Å; L85-Y87 PolarHBondContact O-N 3.42Å
88	G	92.4	Very high	92.3	Very high	52 Å²	52	68.7 Å²	68.7	54%	0.536	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	28.8	171.1	0	0	0	0	0	115	S84 L85 H86	S84-G88 PolarHBondContact O-N 2.87Å; L85-G88 PolarHBondContact O-N 3.33Å; H86-G88 VanDerWaalsContact C-N 3.25Å; H86-G88 PolarHBondContact O-N 3.33Å
89	V	95.4	Very high	91.9	Very high	13 Å²	13	67.2 Å²	67.2	8%	0.079	37%	0.366	C	S	.	.			trans	-59.8	140.5	170.8	-57.5	0	0	0	0	110.1	L57 V69 V71 S84 L85	L57-V89 HydrophobicContact CD1-CG1 3.88Å; L57-V89 HydrophobicContact CD2-CG1 3.85Å; V69-V89 HydrophobicContact CB-CG1 4.19Å; V69-V89 HydrophobicContact CG1-CG1 4.21Å; V69-V89 CarbonylContact O-C 3.55Å; V69-V89 VanDerWaalsContact O-CA 3.32Å; V69-V89 WeakPolarHBondContact O-CA 3.4Å; V69-V89 WeakPolarHBondContact O-CB 3.2Å; V71-V89 HydrophobicContact CG2-CB 4.2Å; V71-V89 HydrophobicContact CG2-CG1 3.67Å; V71-V89 HydrophobicContact CG2-CG2 4.46Å; S84-V89 WeakPolarHBondContact O-CG1 3.36Å; S84-V89 WeakPolarHBondContact O-CG2 3.35Å; S84-V89 PolarHBondContact O-N 3.31Å; L85-V89 HydrophobicContact CD2-CG2 4.13Å
90	V	93.5	Very high	91.5	Very high	61 Å²	61	67.2 Å²	67.2	37%	0.37	36%	0.363	S	S	.	.	S	Bend	trans	-86.2	-22	-174.4	-61.8	0	0	0	0	113.2	L41 D68 V69 I70	L41-V90 HydrophobicContact CD1-CG2 4.38Å; D68-V90 HydrophobicContact CB-CG1 3.85Å; D68-V90 HydrophobicContact CB-CG2 4.08Å; V69-V90 WeakPolarHBondContact O-CG2 3.41Å; V69-V90 PolarHBondContact O-N 2.93Å; I70-V90 HydrophobicContact CD1-CG2 4.31Å; I70-V90 HydrophobicContact CG1-CG2 3.53Å
91	D	94.2	Very high	91.1	Very high	40 Å²	40	69.7 Å²	69.7	21%	0.214	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	162.3	172.5	-157.8	-6.5	0	0	0	110.8	I70 V71 L93 R101 A105	I70-D91 WeakPolarHBondContact CA-O 3.49Å; I70-D91 HydrophobicContact CD1-CB 4.34Å; I70-D91 HydrophobicContact CG1-CB 3.9Å; I70-D91 HydrophobicContact CG2-CB 4.14Å; V71-D91 PolarHBondContact N-O 3.27Å; D91-L93 HydrophobicContact CB-CD1 4.33Å; D91-R101 VanDerWaalsContact CG-NH2 3.27Å; D91-R101 IonicContact OD1-CZ 2.72Å; D91-R101 IonicContact OD1-NH1 2.82Å; D91-R101 IonicContact OD1-NH2 3.86Å; D91-R101 PolarHBondContact OD1-NH2 2.75Å; D91-R101 IonicContact OD2-CZ 3.52Å; D91-R101 IonicContact OD2-NH1 3.82Å; D91-R101 PolarHBondContact OD2-NH1 2.85Å; D91-R101 IonicContact OD2-NH2 3.35Å; D91-R101 PolarHBondContact OD2-NH2 3.44Å; D91-A105 VanDerWaalsContact OD2-CB 3.3Å; D91-A105 WeakPolarHBondContact OD2-CB 3.44Å
92	Y	95.1	Very high	91	Very high	27 Å²	27	67.8 Å²	67.8	11%	0.106	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	118.6	179	-165	-69.6	0	0	0	111.2	I46 V71 A75 I81 S84 I94	I46-Y92 HydrophobicContact CD1-CE2 4.14Å; I46-Y92 WeakPolarHBondContact CD1-OH 3.35Å; V71-Y92 HydrophobicContact CB-CD2 3.57Å; V71-Y92 HydrophobicContact CB-CE2 3.84Å; V71-Y92 HydrophobicContact CB-CG 4.18Å; V71-Y92 HydrophobicContact CG1-CD2 3.66Å; V71-Y92 HydrophobicContact CG1-CE2 3.35Å; V71-Y92 HydrophobicContact CG1-CG 4.37Å; V71-Y92 HydrophobicContact CG2-CD2 4.26Å; V71-Y92 HydrophobicContact CG2-CE2 4.5Å; V71-Y92 CarbonylContact O-C 3.5Å; V71-Y92 WeakPolarHBondContact O-CA 3.35Å; A75-Y92 WeakPolarHBondContact O-CE1 3.29Å; A75-Y92 PolarHBondContact O-OH 3.2Å; I81-Y92 HydrophobicContact CG1-CE1 4.19Å; I81-Y92 HydrophobicContact CG1-CE2 4.17Å; S84-Y92 WeakPolarHBondContact OG-CD2 3.14Å; Y92-I94 HydrophobicContact CD1-CG1 3.88Å; Y92-I94 HydrophobicContact CE1-CG1 3.7Å
93	L	92.8	Very high	90.7	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.016	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.7	-179.5	-78.9	64.9	0	0	0	110.2	I70 V71 I72 S73 D91 F97 R101 F102 A105	I70-L93 HydrophobicContact CG2-CD1 3.78Å; V71-L93 PolarHBondContact O-N 2.9Å; I72-L93 WeakPolarHBondContact CA-O 3.23Å; I72-L93 HydrophobicContact CG1-CB 4.37Å; I72-L93 HydrophobicContact CG2-CB 4.39Å; S73-L93 PolarHBondContact N-O 2.83Å; D91-L93 HydrophobicContact CB-CD1 4.33Å; L93-F97 HydrophobicContact CB-CD1 3.97Å; L93-F97 HydrophobicContact CB-CE1 4.14Å; L93-F97 HydrophobicContact CB-CG 4.48Å; L93-F97 HydrophobicContact CD2-CD2 4.27Å; L93-F97 HydrophobicContact CD2-CE2 4.3Å; L93-F97 HydrophobicContact CD2-CG 4.38Å; L93-F97 HydrophobicContact CD2-CZ 4.44Å; L93-R101 HydrophobicContact CD2-CG 4.43Å; L93-R101 HydrophobicContact CG-CG 4.33Å; L93-F102 HydrophobicContact CD2-CB 4.36Å; L93-F102 HydrophobicContact CD2-CD2 4.14Å; L93-A105 HydrophobicContact CD1-CB 3.77Å; L93-A105 HydrophobicContact CD2-CB 4.13Å
94	I	93.1	Very high	90.4	Very high	79 Å²	79	66.3 Å²	66.3	41%	0.405	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.3	174.3	-58.9	168.8	0	0	0	109.4	S73 A76 I81 Y92 P96	S73-I94 CarbonylContact O-C 3.57Å; S73-I94 VanDerWaalsContact O-CA 3.29Å; S73-I94 WeakPolarHBondContact O-CA 3.4Å; A76-I94 HydrophobicContact CB-CD1 4.11Å; A76-I94 HydrophobicContact CB-CG2 4.04Å; I81-I94 HydrophobicContact CD1-CD1 4.41Å; Y92-I94 HydrophobicContact CD1-CG1 3.88Å; Y92-I94 HydrophobicContact CE1-CG1 3.7Å; I94-P96 CarbonylContact O-C 3.55Å
95	K	89.3	Confident	90.3	Very high	50 Å²	50	66.6 Å²	66.6	22%	0.217	36%	0.355	C	S	.	.	S	Bend	trans	-76.9	143.3	174.5	-65.6	168.5	-174.4	160.5	0	110.8	D45 I72 S73 F97	D45-K95 IonicContact OD1-NZ 3.88Å; D45-K95 PolarHBondContact OD1-NZ 2.78Å; D45-K95 IonicContact OD2-NZ 3.76Å; D45-K95 PolarHBondContact OD2-NZ 3.12Å; I72-K95 HydrophobicContact CG2-CG 4.44Å; I72-K95 WeakPolarHBondContact O-CE 3.46Å; I72-K95 PolarHBondContact O-NZ 3.37Å; I72-K95 VanDerWaalsContact O-NZ 3.09Å; S73-K95 PolarHBondContact O-N 2.87Å; K95-F97 HydrophobicContact CG-CD1 4.14Å; K95-F97 HydrophobicContact CG-CE1 3.7Å
96	P	90.3	Very high	90.3	Very high	137 Å²	137	61.8 Å²	61.8	89%	0.89	33%	0.329	S	S	*	.	S	Bend	cis	-80.7	142.3	-6.5	33	-33.6	0	0	0	111.8	I94	I94-P96 CarbonylContact O-C 3.55Å
97	F	85	Confident	90	Very high	49 Å²	49	55.5 Å²	55.5	22%	0.215	30%	0.302	C	S	.	.			trans	-123.9	160	174.7	52.1	-94.9	0	0	0	110.9	I72 L93 K95 R101 F102	I72-F97 HydrophobicContact CG2-CD1 4.44Å; I72-F97 HydrophobicContact CG2-CE1 3.25Å; I72-F97 HydrophobicContact CG2-CZ 3.43Å; I72-F97 VanDerWaalsContact CG2-CZ 3.43Å; L93-F97 HydrophobicContact CB-CD1 3.97Å; L93-F97 HydrophobicContact CB-CE1 4.14Å; L93-F97 HydrophobicContact CB-CG 4.48Å; L93-F97 HydrophobicContact CD2-CD2 4.27Å; L93-F97 HydrophobicContact CD2-CE2 4.3Å; L93-F97 HydrophobicContact CD2-CG 4.38Å; L93-F97 HydrophobicContact CD2-CZ 4.44Å; K95-F97 HydrophobicContact CG-CD1 4.14Å; K95-F97 HydrophobicContact CG-CE1 3.7Å; F97-R101 HydrophobicContact CB-CB 4.38Å; F97-R101 HydrophobicContact CB-CG 4.42Å; F97-F102 HydrophobicContact CD2-CB 4.09Å; F97-F102 HydrophobicContact CE2-CB 3.83Å; F97-F102 AromaticContact CE2-CD2 3.64Å; F97-F102 HydrophobicContact CE2-CD2 3.64Å; F97-F102 HydrophobicContact CE2-CG 4.14Å; F97-F102 HydrophobicContact CZ-CD2 4.02Å
98	Q	83.8	Confident	89.7	Confident	145 Å²	145	52.8 Å²	52.8	68%	0.678	30%	0.301	S	S	*	.			trans	-79.4	155	175.9	-64.2	-178.1	-14.4	0	0	111.2	S100 R101 F102	Q98-S100 WeakPolarHBondContact CB-OG 3.39Å; Q98-S100 PolarHBondContact O-N 3.16Å; Q98-S100 PolarHBondContact OE1-OG 3.2Å; Q98-R101 PolarHBondContact O-N 3.34Å; Q98-F102 PolarHBondContact O-N 3.14Å
99	A	83.2	Confident	89.7	Confident	48 Å²	48	51.7 Å²	51.7	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-55.4	-35.4	175.2	0	0	0	0	0	112.5	Y9 R101 F102 E103	Y9-A99 HydrophobicContact CD1-CB 4.32Å; Y9-A99 HydrophobicContact CE1-CB 3.71Å; A99-R101 PolarHBondContact O-N 3.49Å; A99-F102 WeakPolarHBondContact O-CB 3.42Å; A99-F102 PolarHBondContact O-N 2.96Å; A99-E103 PolarHBondContact O-N 3.44Å
100	S	84.4	Confident	89.6	Confident	61 Å²	61	54.9 Å²	54.9	43%	0.427	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-42.1	175	46.8	0	0	0	0	113	Q98 F102 E103 E104	Q98-S100 WeakPolarHBondContact CB-OG 3.39Å; Q98-S100 PolarHBondContact O-N 3.16Å; Q98-S100 PolarHBondContact OE1-OG 3.2Å; S100-F102 VanDerWaalsContact C-N 3.33Å; S100-F102 PolarHBondContact O-N 3.5Å; S100-E103 PolarHBondContact O-N 3.03Å; S100-E104 VanDerWaalsContact O-CB 3.28Å; S100-E104 WeakPolarHBondContact O-CB 3.5Å; S100-E104 PolarHBondContact O-N 3Å
101	R	84.9	Confident	89.3	Confident	72 Å²	72	54.8 Å²	54.8	27%	0.272	29%	0.287	S	S	.	.	H	α-helix	trans	-68	-35.2	178.3	179.5	58.6	-177.5	104.1	3	112.1	D91 L93 F97 Q98 A99 E104 A105	D91-R101 VanDerWaalsContact CG-NH2 3.27Å; D91-R101 IonicContact OD1-CZ 2.72Å; D91-R101 IonicContact OD1-NH1 2.82Å; D91-R101 IonicContact OD1-NH2 3.86Å; D91-R101 PolarHBondContact OD1-NH2 2.75Å; D91-R101 IonicContact OD2-CZ 3.52Å; D91-R101 IonicContact OD2-NH1 3.82Å; D91-R101 PolarHBondContact OD2-NH1 2.85Å; D91-R101 IonicContact OD2-NH2 3.35Å; D91-R101 PolarHBondContact OD2-NH2 3.44Å; L93-R101 HydrophobicContact CD2-CG 4.43Å; L93-R101 HydrophobicContact CG-CG 4.33Å; F97-R101 HydrophobicContact CB-CB 4.38Å; F97-R101 HydrophobicContact CB-CG 4.42Å; Q98-R101 PolarHBondContact O-N 3.34Å; A99-R101 PolarHBondContact O-N 3.49Å; R101-E104 WeakPolarHBondContact CD-OE2 3.45Å; R101-A105 WeakPolarHBondContact O-CB 3.3Å; R101-A105 PolarHBondContact O-N 3.2Å
102	F	88.5	Confident	89	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.009	30%	0.298	C	S	.	.	H	α-helix	trans	-67.7	-44.5	174.4	-172.4	-88.9	0	0	0	111.6	Y9 V10 I13 L43 I72 L93 F97 Q98 A99 S100 A105 L106	Y9-F102 VanDerWaalsContact CB-CE1 3.47Å; Y9-F102 HydrophobicContact CG-CD1 4.44Å; V10-F102 HydrophobicContact CG2-CE1 4Å; V10-F102 HydrophobicContact CG2-CZ 3.82Å; I13-F102 HydrophobicContact CD1-CD1 3.87Å; I13-F102 HydrophobicContact CD1-CE1 4.05Å; L43-F102 HydrophobicContact CD1-CE2 3.96Å; L43-F102 HydrophobicContact CD1-CZ 3.58Å; I72-F102 HydrophobicContact CD1-CD2 3.94Å; I72-F102 HydrophobicContact CD1-CE2 3.44Å; I72-F102 VanDerWaalsContact CD1-CE2 3.44Å; L93-F102 HydrophobicContact CD2-CB 4.36Å; L93-F102 HydrophobicContact CD2-CD2 4.14Å; F97-F102 HydrophobicContact CD2-CB 4.09Å; F97-F102 HydrophobicContact CE2-CB 3.83Å; F97-F102 AromaticContact CE2-CD2 3.64Å; F97-F102 HydrophobicContact CE2-CD2 3.64Å; F97-F102 HydrophobicContact CE2-CG 4.14Å; F97-F102 HydrophobicContact CZ-CD2 4.02Å; Q98-F102 PolarHBondContact O-N 3.14Å; A99-F102 WeakPolarHBondContact O-CB 3.42Å; A99-F102 PolarHBondContact O-N 2.96Å; S100-F102 VanDerWaalsContact C-N 3.33Å; S100-F102 PolarHBondContact O-N 3.5Å; F102-A105 PolarHBondContact O-N 3.04Å; F102-L106 HydrophobicContact CD1-CD1 3.77Å; F102-L106 HydrophobicContact CD1-CG 4.46Å; F102-L106 HydrophobicContact CE1-CD1 3.27Å; F102-L106 HydrophobicContact CE1-CG 4.23Å; F102-L106 HydrophobicContact CZ-CD1 3.93Å; F102-L106 WeakPolarHBondContact O-CG 3.45Å; F102-L106 PolarHBondContact O-N 3.48Å
103	E	89	Confident	88.8	Confident	94 Å²	94	58.8 Å²	58.8	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-44.3	174.5	-176.3	177.9	-173.5	0	0	111.8	I13 A99 S100 A105 L106 T107	I13-E103 HydrophobicContact CD1-CB 4.16Å; I13-E103 HydrophobicContact CD1-CG 4.34Å; I13-E103 HydrophobicContact CG1-CG 4.41Å; A99-E103 PolarHBondContact O-N 3.44Å; S100-E103 PolarHBondContact O-N 3.03Å; E103-A105 PolarHBondContact O-N 3.3Å; E103-L106 PolarHBondContact O-N 2.94Å; E103-T107 HydrophobicContact CG-CG2 4.09Å; E103-T107 WeakPolarHBondContact O-CB 3.33Å; E103-T107 WeakPolarHBondContact O-CG2 3.33Å; E103-T107 PolarHBondContact O-N 3.13Å; E103-T107 PolarHBondContact O-OG1 3.17Å
104	E	87.5	Confident	88.5	Confident	119 Å²	119	64.2 Å²	64.2	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-57.6	-47.9	175.9	-179.2	-175.4	-171.8	0	0	111.9	S100 R101 L106 T107 G108	S100-E104 VanDerWaalsContact O-CB 3.28Å; S100-E104 WeakPolarHBondContact O-CB 3.5Å; S100-E104 PolarHBondContact O-N 3Å; R101-E104 WeakPolarHBondContact CD-OE2 3.45Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 PolarHBondContact O-N 3.4Å; E104-T107 PolarHBondContact O-OG1 2.69Å; E104-G108 WeakPolarHBondContact O-CA 3.42Å; E104-G108 PolarHBondContact O-N 3.09Å
105	A	90.3	Very high	88.1	Confident	6 Å²	6	62.1 Å²	62.1	5%	0.05	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-47.2	179.1	0	0	0	0	0	111.9	I70 D91 L93 R101 F102 E103 W109	I70-A105 HydrophobicContact CD1-CB 4.28Å; D91-A105 VanDerWaalsContact OD2-CB 3.3Å; D91-A105 WeakPolarHBondContact OD2-CB 3.44Å; L93-A105 HydrophobicContact CD1-CB 3.77Å; L93-A105 HydrophobicContact CD2-CB 4.13Å; R101-A105 WeakPolarHBondContact O-CB 3.3Å; R101-A105 PolarHBondContact O-N 3.2Å; F102-A105 PolarHBondContact O-N 3.04Å; E103-A105 PolarHBondContact O-N 3.3Å; A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.46Å; A105-W109 PolarHBondContact O-N 2.92Å
106	L	93.1	Very high	87.9	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-51.9	-179.5	-70.3	-178.4	0	0	0	111.6	V10 I13 F16 L41 L43 I70 F102 E103 E104 G108 W109 R110	V10-L106 HydrophobicContact CG2-CD1 4.31Å; I13-L106 HydrophobicContact CD1-CB 4.46Å; I13-L106 HydrophobicContact CD1-CD1 3.46Å; I13-L106 VanDerWaalsContact CD1-CD1 3.46Å; I13-L106 HydrophobicContact CD1-CG 4.49Å; F16-L106 HydrophobicContact CD1-CD2 4.29Å; F16-L106 HydrophobicContact CE1-CB 4Å; F16-L106 HydrophobicContact CE1-CD2 3.9Å; F16-L106 HydrophobicContact CE1-CG 4.41Å; F16-L106 HydrophobicContact CE2-CB 4Å; F16-L106 HydrophobicContact CZ-CB 3.67Å; F16-L106 HydrophobicContact CZ-CD2 4.44Å; F16-L106 WeakPolarHBondContact CZ-O 3.49Å; L41-L106 HydrophobicContact CD2-CD2 3.34Å; L43-L106 HydrophobicContact CD2-CD2 4.03Å; I70-L106 HydrophobicContact CD1-CD2 4.25Å; F102-L106 HydrophobicContact CD1-CD1 3.77Å; F102-L106 HydrophobicContact CD1-CG 4.46Å; F102-L106 HydrophobicContact CE1-CD1 3.27Å; F102-L106 HydrophobicContact CE1-CG 4.23Å; F102-L106 HydrophobicContact CZ-CD1 3.93Å; F102-L106 WeakPolarHBondContact O-CG 3.45Å; F102-L106 PolarHBondContact O-N 3.48Å; E103-L106 PolarHBondContact O-N 2.94Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 PolarHBondContact O-N 3.4Å; L106-G108 VanDerWaalsContact C-N 3.34Å; L106-G108 PolarHBondContact O-N 2.96Å; L106-W109 PolarHBondContact O-N 3.31Å; L106-R110 PolarHBondContact O-N 3.39Å
107	T	90.2	Very high	87.8	Confident	17 Å²	17	63.7 Å²	63.7	10%	0.104	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-39.9	-177.6	53.8	0	0	0	0	112	I13 E103 E104 R110 Q111	I13-T107 HydrophobicContact CG2-CG2 4.25Å; E103-T107 HydrophobicContact CG-CG2 4.09Å; E103-T107 WeakPolarHBondContact O-CB 3.33Å; E103-T107 WeakPolarHBondContact O-CG2 3.33Å; E103-T107 PolarHBondContact O-N 3.13Å; E103-T107 PolarHBondContact O-OG1 3.17Å; E104-T107 PolarHBondContact O-OG1 2.69Å; T107-R110 PolarHBondContact O-N 2.71Å; T107-Q111 WeakPolarHBondContact O-CG 3.4Å; T107-Q111 PolarHBondContact O-N 2.87Å
108	G	88.2	Confident	87.5	Confident	32 Å²	32	69 Å²	69	33%	0.33	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-43.7	173.8	0	0	0	0	0	112.5	E104 L106 R110 Q111 K112	E104-G108 WeakPolarHBondContact O-CA 3.42Å; E104-G108 PolarHBondContact O-N 3.09Å; L106-G108 VanDerWaalsContact C-N 3.34Å; L106-G108 PolarHBondContact O-N 2.96Å; G108-R110 PolarHBondContact O-N 2.72Å; G108-Q111 PolarHBondContact O-N 3.25Å; G108-K112 WeakPolarHBondContact O-CB 3.44Å; G108-K112 PolarHBondContact O-N 3.34Å
109	W	93	Very high	87.2	Confident	29 Å²	29	65.5 Å²	65.5	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-47.7	172.5	169.3	79.5	0	0	0	111.9	F16 D40 L41 D68 I70 A105 L106 Q111 K112 K113	F16-W109 AromaticContact CE1-CE3 3.67Å; F16-W109 HydrophobicContact CE1-CE3 3.67Å; F16-W109 AromaticContact CE1-CZ3 3.6Å; F16-W109 HydrophobicContact CE1-CZ3 3.6Å; F16-W109 AromaticContact CZ-CE3 3.91Å; F16-W109 HydrophobicContact CZ-CE3 3.91Å; F16-W109 HydrophobicContact CZ-CZ3 4.08Å; D40-W109 HydrophobicContact CB-CH2 3.62Å; D40-W109 HydrophobicContact CB-CZ2 3.97Å; L41-W109 HydrophobicContact CB-CD2 4.43Å; L41-W109 HydrophobicContact CB-CE3 4.46Å; L41-W109 HydrophobicContact CB-CH2 3.82Å; L41-W109 HydrophobicContact CB-CZ2 3.77Å; L41-W109 HydrophobicContact CB-CZ3 4.18Å; L41-W109 HydrophobicContact CD1-CD2 4.11Å; L41-W109 HydrophobicContact CD1-CG 4.24Å; L41-W109 HydrophobicContact CD1-CZ2 4.47Å; L41-W109 HydrophobicContact CD2-CD2 3.95Å; L41-W109 HydrophobicContact CD2-CE3 3.84Å; L41-W109 HydrophobicContact CD2-CG 4.45Å; L41-W109 HydrophobicContact CD2-CZ3 4.2Å; L41-W109 HydrophobicContact CG-CD2 4.4Å; D68-W109 VanDerWaalsContact CB-NE1 3.32Å; D68-W109 PolarHBondContact OD2-NE1 3.1Å; I70-W109 HydrophobicContact CD1-CB 4.41Å; A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.46Å; A105-W109 PolarHBondContact O-N 2.92Å; L106-W109 PolarHBondContact O-N 3.31Å; W109-Q111 PolarHBondContact O-N 2.78Å; W109-K112 PolarHBondContact O-N 2.99Å; W109-K113 HydrophobicContact CH2-CD 3.71Å; W109-K113 HydrophobicContact CZ2-CD 3.62Å; W109-K113 WeakPolarHBondContact O-CB 3.47Å; W109-K113 PolarHBondContact O-N 3.15Å
110	R	92.5	Very high	87.1	Confident	79 Å²	79	71.2 Å²	71.2	30%	0.298	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-43.6	179.7	-179.2	-176.8	68.1	-169.5	-3.5	111.9	P14 F16 L106 T107 G108 K112 K113 M114	P14-R110 PolarHBondContact O-NH1 2.87Å; F16-R110 HydrophobicContact CE2-CB 4.29Å; F16-R110 HydrophobicContact CZ-CB 3.81Å; L106-R110 PolarHBondContact O-N 3.39Å; T107-R110 PolarHBondContact O-N 2.71Å; G108-R110 PolarHBondContact O-N 2.72Å; R110-K112 VanDerWaalsContact C-N 3.33Å; R110-K112 PolarHBondContact O-N 2.77Å; R110-K113 PolarHBondContact O-N 3.4Å; R110-M114 HydrophobicContact CG-CG 4.26Å; R110-M114 HydrophobicContact CG-SD 4.02Å; R110-M114 WeakPolarHBondContact O-CB 3.45Å; R110-M114 VanDerWaalsContact O-CG 3.31Å; R110-M114 WeakPolarHBondContact O-CG 3.37Å; R110-M114 PolarHBondContact O-N 2.81Å
111	Q	87.3	Confident	86.9	Confident	59 Å²	59	76.9 Å²	76.9	28%	0.276	36%	0.361	S	S	.	.	H	α-helix	trans	-58.1	-47.8	176.5	-77.1	172.1	-35.4	0	0	110.9	T107 G108 W109 K113 M114 A115 E138	T107-Q111 WeakPolarHBondContact O-CG 3.4Å; T107-Q111 PolarHBondContact O-N 2.87Å; G108-Q111 PolarHBondContact O-N 3.25Å; W109-Q111 PolarHBondContact O-N 2.78Å; Q111-K113 PolarHBondContact O-N 2.63Å; Q111-M114 PolarHBondContact O-N 3.45Å; Q111-A115 VanDerWaalsContact O-CB 3.29Å; Q111-A115 WeakPolarHBondContact O-CB 3.28Å; Q111-A115 PolarHBondContact O-N 3.04Å; Q111-E138 VanDerWaalsContact CG-OE2 3.28Å; Q111-E138 WeakPolarHBondContact CG-OE2 3.28Å; Q111-E138 PolarHBondContact NE2-O 3.33Å; Q111-E138 VanDerWaalsContact NE2-O 3.09Å; Q111-E138 PolarHBondContact NE2-OE2 3.49Å
112	K	87.2	Confident	86.7	Confident	105 Å²	105	76.7 Å²	76.7	46%	0.457	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-45.2	176.9	-171.7	177	-176.1	176.7	0	111.9	G108 W109 R110 A115 L116	G108-K112 WeakPolarHBondContact O-CB 3.44Å; G108-K112 PolarHBondContact O-N 3.34Å; W109-K112 PolarHBondContact O-N 2.99Å; R110-K112 VanDerWaalsContact C-N 3.33Å; R110-K112 PolarHBondContact O-N 2.77Å; K112-A115 PolarHBondContact O-N 3.2Å; K112-L116 HydrophobicContact CG-CD1 4.16Å; K112-L116 WeakPolarHBondContact O-CG 3.33Å; K112-L116 PolarHBondContact O-N 2.81Å
113	K	90.5	Very high	86.4	Confident	46 Å²	46	80.9 Å²	80.9	20%	0.2	38%	0.383	C	S	.	.	H	α-helix	trans	-59.5	-51.3	176.5	-179.2	176.2	176.8	-179.3	0	111.8	D40 W109 R110 Q111 A115 L116 E117	D40-K113 IonicContact OD1-NZ 2.76Å; D40-K113 PolarHBondContact OD1-NZ 2.93Å; D40-K113 IonicContact OD2-NZ 3Å; W109-K113 HydrophobicContact CH2-CD 3.71Å; W109-K113 HydrophobicContact CZ2-CD 3.62Å; W109-K113 WeakPolarHBondContact O-CB 3.47Å; W109-K113 PolarHBondContact O-N 3.15Å; R110-K113 PolarHBondContact O-N 3.4Å; Q111-K113 PolarHBondContact O-N 2.63Å; K113-A115 VanDerWaalsContact C-N 3.27Å; K113-A115 PolarHBondContact O-N 3.39Å; K113-L116 PolarHBondContact O-N 3Å; K113-E117 WeakPolarHBondContact CE-OE1 3.15Å; K113-E117 WeakPolarHBondContact O-CG 3.34Å; K113-E117 PolarHBondContact O-N 3.39Å
114	M	88	Confident	85.9	Confident	118 Å²	118	82.4 Å²	82.4	58%	0.581	39%	0.39	S	S	*	.	H	α-helix	trans	-60.9	-37.5	178.3	-70.2	-178.5	78.2	0	0	112.1	R110 Q111 E117 K118	R110-M114 HydrophobicContact CG-CG 4.26Å; R110-M114 HydrophobicContact CG-SD 4.02Å; R110-M114 WeakPolarHBondContact O-CB 3.45Å; R110-M114 VanDerWaalsContact O-CG 3.31Å; R110-M114 WeakPolarHBondContact O-CG 3.37Å; R110-M114 PolarHBondContact O-N 2.81Å; Q111-M114 PolarHBondContact O-N 3.45Å; M114-E117 PolarHBondContact O-N 2.87Å; M114-K118 WeakPolarHBondContact O-CB 3.49Å; M114-K118 PolarHBondContact O-N 3.22Å
115	A	84.4	Confident	85.5	Confident	34 Å²	34	79.4 Å²	79.4	28%	0.281	39%	0.385	S	S	.	.	H	α-helix	trans	-67	-39.1	177.8	0	0	0	0	0	111.9	Q111 K112 K113 E117 K118 Y122 L130	Q111-A115 VanDerWaalsContact O-CB 3.29Å; Q111-A115 WeakPolarHBondContact O-CB 3.28Å; Q111-A115 PolarHBondContact O-N 3.04Å; K112-A115 PolarHBondContact O-N 3.2Å; K113-A115 VanDerWaalsContact C-N 3.27Å; K113-A115 PolarHBondContact O-N 3.39Å; A115-E117 VanDerWaalsContact C-N 3.32Å; A115-K118 PolarHBondContact O-N 3.08Å; A115-Y122 PolarHBondContact O-OH 3.32Å; A115-L130 HydrophobicContact CB-CD2 3.48Å; A115-L130 VanDerWaalsContact CB-CD2 3.48Å
116	L	85.6	Confident	84.8	Confident	86 Å²	86	82.2 Å²	82.2	45%	0.45	40%	0.398	S	S	.	.	H	α-helix	trans	-68.7	-26.5	174.7	-74.6	166.5	0	0	0	113.6	K112 K113 Y122 L130	K112-L116 HydrophobicContact CG-CD1 4.16Å; K112-L116 WeakPolarHBondContact O-CG 3.33Å; K112-L116 PolarHBondContact O-N 2.81Å; K113-L116 PolarHBondContact O-N 3Å; L116-Y122 VanDerWaalsContact CA-OH 3.28Å; L116-Y122 WeakPolarHBondContact CA-OH 3.26Å; L116-Y122 PolarHBondContact O-OH 2.98Å; L116-L130 HydrophobicContact CD2-CD1 4.1Å
117	E	86.5	Confident	84	Confident	134 Å²	134	85 Å²	85	63%	0.626	41%	0.412	S	S	*	.	H	α-helix	trans	-88.1	-12.7	178.5	-70.6	174.6	173.4	0	0	113.3	K113 M114 A115	K113-E117 WeakPolarHBondContact CE-OE1 3.15Å; K113-E117 WeakPolarHBondContact O-CG 3.34Å; K113-E117 PolarHBondContact O-N 3.39Å; M114-E117 PolarHBondContact O-N 2.87Å; A115-E117 VanDerWaalsContact C-N 3.32Å
118	K	80.1	Confident	83.5	Confident	161 Å²	161	87.2 Å²	87.2	70%	0.7	42%	0.423	S	S	*	.	H	α-helix	trans	-76.2	-33.6	-171.5	-177.7	-178.8	173.1	-165.7	0	113.9	M114 A115	M114-K118 WeakPolarHBondContact O-CB 3.49Å; M114-K118 PolarHBondContact O-N 3.22Å; A115-K118 PolarHBondContact O-N 3.08Å
119	H	76.6	Confident	82.9	Confident	72 Å²	72	91.5 Å²	91.5	33%	0.333	44%	0.435	S	S	.	.			trans	-116.7	137.3	-176.2	-55.2	-106.8	0	0	0	111.3	Y121 Y122	H119-Y121 WeakPolarHBondContact CB-O 3.48Å; H119-Y122 HydrophobicContact CB-CD1 4.04Å; H119-Y122 HydrophobicContact CB-CE1 3.54Å; H119-Y122 HydrophobicContact CB-CE2 4.13Å; H119-Y122 AromaticContact CD2-CE1 3.72Å; H119-Y122 AromaticContact CG-CE1 3.84Å; H119-Y122 PolarHBondContact N-OH 3.48Å; H119-Y122 WeakPolarHBondContact O-CE2 3.45Å; H119-Y122 PolarHBondContact O-OH 3.25Å
120	Q	80.5	Confident	82.2	Confident	167 Å²	167	91.3 Å²	91.3	78%	0.78	44%	0.436	S	S	*	.	S	Bend	trans	-76.4	-28.9	172.4	-171.1	177.9	13.1	0	0	111.8
121	Y	81.6	Confident	81.4	Confident	181 Å²	181	92.4 Å²	92.4	71%	0.71	45%	0.447	S	S	*	.	S	Bend	trans	-135.6	138.2	178.3	-59.5	-78.6	0	0	0	108.6	H119	H119-Y121 WeakPolarHBondContact CB-O 3.48Å
122	Y	79.3	Confident	80.9	Confident	68 Å²	68	96 Å²	96	27%	0.267	46%	0.463	S	S	.	.			trans	-114.9	140.9	176.4	-64.6	-84.7	0	0	0	109	A115 L116 H119 E126 L130	A115-Y122 PolarHBondContact O-OH 3.32Å; L116-Y122 VanDerWaalsContact CA-OH 3.28Å; L116-Y122 WeakPolarHBondContact CA-OH 3.26Å; L116-Y122 PolarHBondContact O-OH 2.98Å; H119-Y122 HydrophobicContact CB-CD1 4.04Å; H119-Y122 HydrophobicContact CB-CE1 3.54Å; H119-Y122 HydrophobicContact CB-CE2 4.13Å; H119-Y122 AromaticContact CD2-CE1 3.72Å; H119-Y122 AromaticContact CG-CE1 3.84Å; H119-Y122 PolarHBondContact N-OH 3.48Å; H119-Y122 WeakPolarHBondContact O-CE2 3.45Å; H119-Y122 PolarHBondContact O-OH 3.25Å; Y122-E126 WeakPolarHBondContact CA-OE2 3.29Å; Y122-E126 HydrophobicContact CD1-CB 4.15Å; Y122-L130 HydrophobicContact CD1-CD1 3.55Å; Y122-L130 HydrophobicContact CE1-CD1 3.3Å; Y122-L130 HydrophobicContact CG-CD1 4.34Å
123	D	83.1	Confident	79.6	Confident	90 Å²	90	92.7 Å²	92.7	48%	0.481	46%	0.459	S	S	.	.			trans	-80.2	169.3	159.8	75.2	39.5	0	0	0	111.2	A125 E126 L127	D123-A125 VanDerWaalsContact C-N 3.28Å; D123-A125 PolarHBondContact O-N 3.48Å; D123-A125 WeakPolarHBondContact OD1-CA 3.42Å; D123-A125 WeakPolarHBondContact OD1-CB 3.47Å; D123-A125 PolarHBondContact OD1-N 2.76Å; D123-E126 PolarHBondContact N-OE2 2.99Å; D123-E126 VanDerWaalsContact N-OE2 3.13Å; D123-E126 PolarHBondContact O-N 3.44Å; D123-E126 WeakPolarHBondContact OD1-CG 3.43Å; D123-E126 PolarHBondContact OD1-N 3Å; D123-L127 WeakPolarHBondContact O-CB 3.38Å; D123-L127 PolarHBondContact O-N 3.46Å
124	Q	79	Confident	77.6	Confident	125 Å²	125	93.4 Å²	93.4	58%	0.584	47%	0.469	S	S	*	.	H	α-helix	trans	-61.9	-36.5	-177.2	-173.8	64.5	42.3	0	0	112.2	L127 D128	Q124-L127 PolarHBondContact O-N 2.89Å; Q124-D128 PolarHBondContact NE2-OD1 2.78Å; Q124-D128 WeakPolarHBondContact O-CB 3.44Å; Q124-D128 PolarHBondContact O-N 2.69Å
125	A	77.9	Confident	75.7	Confident	56 Å²	56	93.1 Å²	93.1	46%	0.463	48%	0.479	S	S	.	.	H	α-helix	trans	-71.3	-38.3	-178	0	0	0	0	0	111.4	D123 Q129	D123-A125 VanDerWaalsContact C-N 3.28Å; D123-A125 PolarHBondContact O-N 3.48Å; D123-A125 WeakPolarHBondContact OD1-CA 3.42Å; D123-A125 WeakPolarHBondContact OD1-CB 3.47Å; D123-A125 PolarHBondContact OD1-N 2.76Å; A125-Q129 VanDerWaalsContact O-CG 3.29Å; A125-Q129 WeakPolarHBondContact O-CG 3.5Å; A125-Q129 PolarHBondContact O-N 2.84Å
126	E	77	Confident	73.8	Confident	66 Å²	66	93.9 Å²	93.9	31%	0.308	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-43.8	172.1	-67.3	176.8	150.8	0	0	111.4	Y122 D123 Q129 L130	Y122-E126 WeakPolarHBondContact CA-OE2 3.29Å; Y122-E126 HydrophobicContact CD1-CB 4.15Å; D123-E126 PolarHBondContact N-OE2 2.99Å; D123-E126 VanDerWaalsContact N-OE2 3.13Å; D123-E126 PolarHBondContact O-N 3.44Å; D123-E126 WeakPolarHBondContact OD1-CG 3.43Å; D123-E126 PolarHBondContact OD1-N 3Å; E126-Q129 WeakPolarHBondContact O-CB 3.17Å; E126-Q129 PolarHBondContact O-N 3.37Å; E126-L130 WeakPolarHBondContact O-CG 3.45Å; E126-L130 PolarHBondContact O-N 3.09Å; E126-L130 VanDerWaalsContact O-N 3.14Å
127	L	76.1	Confident	71.7	Confident	59 Å²	59	93.9 Å²	93.9	31%	0.309	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-43.1	178.3	-176.8	62.1	0	0	0	112.2	D123 Q124 Q129 L130 I131	D123-L127 WeakPolarHBondContact O-CB 3.38Å; D123-L127 PolarHBondContact O-N 3.46Å; Q124-L127 PolarHBondContact O-N 2.89Å; L127-Q129 VanDerWaalsContact C-N 3.28Å; L127-Q129 PolarHBondContact O-N 3.4Å; L127-L130 WeakPolarHBondContact O-CB 3.43Å; L127-L130 PolarHBondContact O-N 2.99Å; L127-I131 HydrophobicContact CD1-CD1 3.78Å; L127-I131 HydrophobicContact CD1-CG1 4.01Å; L127-I131 HydrophobicContact CD2-CD1 4.23Å; L127-I131 HydrophobicContact CG-CD1 3.72Å; L127-I131 HydrophobicContact CG-CG1 4.27Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 2.77Å
128	D	78.5	Confident	69.3	Low	65 Å²	65	93.7 Å²	93.7	35%	0.348	48%	0.482	S	S	.	.	H	α-helix	trans	-60	-40.5	177.2	-72.4	-14.7	0	0	0	111.1	Q124 L130 I131 H132	Q124-D128 PolarHBondContact NE2-OD1 2.78Å; Q124-D128 WeakPolarHBondContact O-CB 3.44Å; Q124-D128 PolarHBondContact O-N 2.69Å; D128-L130 VanDerWaalsContact C-N 3.3Å; D128-L130 PolarHBondContact O-N 2.76Å; D128-I131 PolarHBondContact O-N 3.44Å; D128-H132 WeakPolarHBondContact O-CB 3.32Å; D128-H132 PolarHBondContact O-CD2 3.49Å; D128-H132 PolarHBondContact O-N 3.06Å; D128-H132 VanDerWaalsContact O-N 3.08Å
129	Q	76.5	Confident	67.5	Low	122 Å²	122	93.8 Å²	93.8	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-63.5	-32.9	174	-72.1	174.6	23.6	0	0	112.7	A125 E126 L127 G133 S134	A125-Q129 VanDerWaalsContact O-CG 3.29Å; A125-Q129 WeakPolarHBondContact O-CG 3.5Å; A125-Q129 PolarHBondContact O-N 2.84Å; E126-Q129 WeakPolarHBondContact O-CB 3.17Å; E126-Q129 PolarHBondContact O-N 3.37Å; L127-Q129 VanDerWaalsContact C-N 3.28Å; L127-Q129 PolarHBondContact O-N 3.4Å; Q129-G133 CarbonylContact O-C 3.57Å; Q129-G133 WeakPolarHBondContact O-CA 3.32Å; Q129-S134 PolarHBondContact O-N 3.38Å
130	L	77.4	Confident	66.2	Low	25 Å²	25	91.4 Å²	91.4	13%	0.131	47%	0.474	C	S	.	.	H	α-helix	trans	-76.2	-42.1	177.2	-70.9	167	0	0	0	113	A115 L116 Y122 E126 L127 D128	A115-L130 HydrophobicContact CB-CD2 3.48Å; A115-L130 VanDerWaalsContact CB-CD2 3.48Å; L116-L130 HydrophobicContact CD2-CD1 4.1Å; Y122-L130 HydrophobicContact CD1-CD1 3.55Å; Y122-L130 HydrophobicContact CE1-CD1 3.3Å; Y122-L130 HydrophobicContact CG-CD1 4.34Å; E126-L130 WeakPolarHBondContact O-CG 3.45Å; E126-L130 PolarHBondContact O-N 3.09Å; E126-L130 VanDerWaalsContact O-N 3.14Å; L127-L130 WeakPolarHBondContact O-CB 3.43Å; L127-L130 PolarHBondContact O-N 2.99Å; D128-L130 VanDerWaalsContact C-N 3.3Å; D128-L130 PolarHBondContact O-N 2.76Å
131	I	77.3	Confident	64.6	Low	102 Å²	102	86.1 Å²	86.1	52%	0.523	46%	0.455	S	S	.	.	H	α-helix	trans	-76.6	-51.1	-172.9	-69.2	178.1	0	0	0	111.6	L127 D128 G133	L127-I131 HydrophobicContact CD1-CD1 3.78Å; L127-I131 HydrophobicContact CD1-CG1 4.01Å; L127-I131 HydrophobicContact CD2-CD1 4.23Å; L127-I131 HydrophobicContact CG-CD1 3.72Å; L127-I131 HydrophobicContact CG-CG1 4.27Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 2.77Å; D128-I131 PolarHBondContact O-N 3.44Å; I131-G133 PolarHBondContact O-N 2.92Å; I131-G133 VanDerWaalsContact O-N 3.08Å
132	H	75.2	Confident	63.4	Low	135 Å²	135	81.1 Å²	81.1	63%	0.625	43%	0.434	S	S	*	.	S	Bend	trans	-74.9	2.6	-179.5	-64.4	-61.1	0	0	0	112.3	D128	D128-H132 WeakPolarHBondContact O-CB 3.32Å; D128-H132 PolarHBondContact O-CD2 3.49Å; D128-H132 PolarHBondContact O-N 3.06Å; D128-H132 VanDerWaalsContact O-N 3.08Å
133	G	60.2	Low	62.7	Low	35 Å²	35	86.7 Å²	86.7	36%	0.361	46%	0.455	S	S	.	.			trans	58.6	161.9	-152.9	0	0	0	0	0	109.7	Q129 I131 S135	Q129-G133 CarbonylContact O-C 3.57Å; Q129-G133 WeakPolarHBondContact O-CA 3.32Å; I131-G133 PolarHBondContact O-N 2.92Å; I131-G133 VanDerWaalsContact O-N 3.08Å; G133-S135 PolarHBondContact O-N 3.2Å
134	S	47.9	Very low	62.4	Low	61 Å²	61	84.4 Å²	84.4	43%	0.427	44%	0.443	S	S	.	.			trans	-57	101.7	147.4	-58.2	0	0	0	0	105.1	Q129 S136	Q129-S134 PolarHBondContact O-N 3.38Å; S134-S136 VanDerWaalsContact CB-C 3.49Å; S134-S136 WeakPolarHBondContact CB-O 3.48Å; S134-S136 PolarHBondContact O-N 3.25Å
135	S	48.2	Very low	62.3	Low	111 Å²	111	81.1 Å²	81.1	78%	0.776	43%	0.432	S	S	*	.	S	Bend	trans	-62	25.9	160.7	-69.3	0	0	0	0	111.2	G133	G133-S135 PolarHBondContact O-N 3.2Å
136	S	46	Very low	62.1	Low	51 Å²	51	88.8 Å²	88.8	36%	0.357	46%	0.455	S	S	.	.	S	Bend	trans	162.4	80.1	-159.3	45.5	0	0	0	0	111	S134 R142	S134-S136 VanDerWaalsContact CB-C 3.49Å; S134-S136 WeakPolarHBondContact CB-O 3.48Å; S134-S136 PolarHBondContact O-N 3.25Å; S136-R142 VanDerWaalsContact CB-NH1 3.35Å
137	N	40.3	Very low	62.3	Low	86 Å²	86	89.3 Å²	89.3	46%	0.46	48%	0.479	S	S	.	.			trans	164.6	3.7	140.2	-84.2	-7.9	0	0	0	124.7	R142	N137-R142 PolarHBondContact OD1-NH2 2.68Å
138	E	36.3	Very low	62.9	Low	129 Å²	129	87.7 Å²	87.7	60%	0.603	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	10.4	-179.5	-83	-136.2	170.7	0	0	119.7	Q111	Q111-E138 VanDerWaalsContact CG-OE2 3.28Å; Q111-E138 WeakPolarHBondContact CG-OE2 3.28Å; Q111-E138 PolarHBondContact NE2-O 3.33Å; Q111-E138 VanDerWaalsContact NE2-O 3.09Å; Q111-E138 PolarHBondContact NE2-OE2 3.49Å
139	Q	43.2	Very low	63.5	Low	163 Å²	163	87.7 Å²	87.7	76%	0.762	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn		-142.9	79.6	122.2	-75.2	-173.2	9.6	0	0	102.1	P141	Q139-P141 WeakPolarHBondContact O-CD 3.42Å
140	D	48.6	Very low	64.1	Low	22 Å²	22	86.2 Å²	86.2	12%	0.118	47%	0.473	C	S	.	.			trans	-43.9	107.1	-173.1	-174.6	20.9	0	0	0	108.1	R142 R143	D140-R142 VanDerWaalsContact CG-CB 3.48Å; D140-R142 PolarHBondContact O-N 2.83Å; D140-R142 WeakPolarHBondContact OD1-CB 3.33Å; D140-R142 IonicContact OD1-CZ 3.89Å; D140-R142 VanDerWaalsContact OD1-CZ 3.26Å; D140-R142 PolarHBondContact OD1-N 3.36Å; D140-R142 VanDerWaalsContact OD1-N 3.17Å; D140-R142 IonicContact OD1-NE 3.26Å; D140-R142 PolarHBondContact OD1-NE 3.34Å; D140-R142 IonicContact OD1-NH2 3.12Å; D140-R142 PolarHBondContact OD1-NH2 2.82Å; D140-R142 WeakPolarHBondContact OD2-CB 3.36Å; D140-R142 IonicContact OD2-NE 2.87Å; D140-R142 IonicContact OD2-NH2 2.78Å; D140-R143 HydrophobicContact CB-CB 3.96Å; D140-R143 HydrophobicContact CB-CG 3.81Å; D140-R143 PolarHBondContact O-N 3.09Å; D140-R143 PolarHBondContact OD2-N 3.36Å
141	P	48.2	Very low	64.8	Low	57 Å²	57	92 Å²	92	37%	0.37	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.8	178.3	21.5	-29.4	0	0	0	106.9	Q139 R143 W190 C194	Q139-P141 WeakPolarHBondContact O-CD 3.42Å; P141-R143 VanDerWaalsContact C-N 3.35Å; P141-R143 PolarHBondContact O-N 2.85Å; P141-W190 WeakPolarHBondContact O-CZ2 3.13Å; P141-W190 PolarHBondContact O-NE1 2.7Å; P141-C194 PolarHBondContact O-SG 2.69Å
142	R	55.4	Low	65.6	Low	75 Å²	75	88.7 Å²	88.7	28%	0.283	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.1	172.8	-55.4	165.1	-61.6	159	23.7	116.1	S136 N137 D140 W190 L222 Y226	S136-R142 VanDerWaalsContact CB-NH1 3.35Å; N137-R142 PolarHBondContact OD1-NH2 2.68Å; D140-R142 VanDerWaalsContact CG-CB 3.48Å; D140-R142 PolarHBondContact O-N 2.83Å; D140-R142 WeakPolarHBondContact OD1-CB 3.33Å; D140-R142 IonicContact OD1-CZ 3.89Å; D140-R142 VanDerWaalsContact OD1-CZ 3.26Å; D140-R142 PolarHBondContact OD1-N 3.36Å; D140-R142 VanDerWaalsContact OD1-N 3.17Å; D140-R142 IonicContact OD1-NE 3.26Å; D140-R142 PolarHBondContact OD1-NE 3.34Å; D140-R142 IonicContact OD1-NH2 3.12Å; D140-R142 PolarHBondContact OD1-NH2 2.82Å; D140-R142 WeakPolarHBondContact OD2-CB 3.36Å; D140-R142 IonicContact OD2-NE 2.87Å; D140-R142 IonicContact OD2-NH2 2.78Å; R142-W190 VanDerWaalsContact C-CZ2 3.42Å; R142-W190 WeakPolarHBondContact O-CZ2 3.35Å; R142-L222 HydrophobicContact CG-CD1 4.28Å; R142-Y226 WeakPolarHBondContact CA-OH 3.43Å; R142-Y226 WeakPolarHBondContact CB-OH 3.18Å; R142-Y226 VanDerWaalsContact CG-OH 3.29Å; R142-Y226 WeakPolarHBondContact CG-OH 3.46Å; R142-Y226 PolarHBondContact O-OH 3.22Å; R142-Y226 VanDerWaalsContact O-OH 3.09Å
143	R	64.9	Low	66.5	Low	186 Å²	186	82.6 Å²	82.6	70%	0.702	46%	0.456	S	S	*	.	S	Bend	trans	-83.4	121.2	168.1	-86.7	-176.4	-176.2	-163.9	2.4	110.4	D140 P141 W190	D140-R143 HydrophobicContact CB-CB 3.96Å; D140-R143 HydrophobicContact CB-CG 3.81Å; D140-R143 PolarHBondContact O-N 3.09Å; D140-R143 PolarHBondContact OD2-N 3.36Å; P141-R143 VanDerWaalsContact C-N 3.35Å; P141-R143 PolarHBondContact O-N 2.85Å; R143-W190 PolarHBondContact O-NE1 3.46Å
144	L	76.9	Confident	68.1	Low	42 Å²	42	85.3 Å²	85.3	22%	0.22	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-62.6	125.9	179.5	-162.4	60.7	0	0	0	110.7	L148 T149 P150 L153 Y187 W190	L144-L148 HydrophobicContact CD1-CB 3.65Å; L144-L148 HydrophobicContact CD1-CD2 3.89Å; L144-L148 HydrophobicContact CD1-CG 4.41Å; L144-L148 VanDerWaalsContact CD2-C 3.44Å; L144-L148 HydrophobicContact CD2-CB 3.9Å; L144-L148 WeakPolarHBondContact CD2-O 3.43Å; L144-L148 HydrophobicContact CG-CB 3.49Å; L144-L148 VanDerWaalsContact CG-CB 3.49Å; L144-T149 WeakPolarHBondContact CD2-O 3.3Å; L144-P150 HydrophobicContact CD2-CG 4.18Å; L144-P150 VanDerWaalsContact CD2-N 3.32Å; L144-L153 HydrophobicContact CD1-CB 4.42Å; L144-L153 HydrophobicContact CD1-CD2 4Å; L144-L153 HydrophobicContact CD2-CB 4.29Å; L144-L153 HydrophobicContact CD2-CD2 4.45Å; L144-Y187 HydrophobicContact CD1-CD1 4.14Å; L144-Y187 HydrophobicContact CD1-CE1 4.09Å; L144-Y187 HydrophobicContact CD2-CE1 4.35Å; L144-W190 HydrophobicContact CD1-CD2 4.13Å; L144-W190 HydrophobicContact CD1-CE3 4.14Å; L144-W190 HydrophobicContact CD1-CH2 4.22Å; L144-W190 HydrophobicContact CD1-CZ2 4.18Å; L144-W190 HydrophobicContact CD1-CZ3 4.22Å
145	P	76.6	Confident	70.3	Confident	56 Å²	56	85.2 Å²	85.2	36%	0.364	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-60.6	154.4	-178.8	-24.2	33.6	0	0	0	112	G147 L148 W190	P145-G147 PolarHBondContact O-N 2.78Å; P145-L148 HydrophobicContact CB-CD1 4.44Å; P145-L148 HydrophobicContact CG-CD2 4.36Å; P145-L148 PolarHBondContact O-N 3.36Å; P145-W190 VanDerWaalsContact CG-CD1 3.45Å; P145-W190 HydrophobicContact CG-CG 4.17Å
146	K	74.2	Confident	72.6	Confident	216 Å²	216	80 Å²	80	94%	0.939	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	132.4	173.4	-71	-176.7	178.8	178.9	0	110.4
147	G	81	Confident	74.9	Confident	78 Å²	78	77.5 Å²	77.5	80%	0.804	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-4	-178.5	0	0	0	0	0	114.9	P145	P145-G147 PolarHBondContact O-N 2.78Å
148	L	88.8	Confident	77.5	Confident	25 Å²	25	77.9 Å²	77.9	13%	0.131	40%	0.398	C	S	.	.			trans	-102	140	166.3	-78.5	64.6	0	0	0	108.1	L144 P145 K186 Y187	L144-L148 HydrophobicContact CD1-CB 3.65Å; L144-L148 HydrophobicContact CD1-CD2 3.89Å; L144-L148 HydrophobicContact CD1-CG 4.41Å; L144-L148 VanDerWaalsContact CD2-C 3.44Å; L144-L148 HydrophobicContact CD2-CB 3.9Å; L144-L148 WeakPolarHBondContact CD2-O 3.43Å; L144-L148 HydrophobicContact CG-CB 3.49Å; L144-L148 VanDerWaalsContact CG-CB 3.49Å; P145-L148 HydrophobicContact CB-CD1 4.44Å; P145-L148 HydrophobicContact CG-CD2 4.36Å; P145-L148 PolarHBondContact O-N 3.36Å; L148-K186 HydrophobicContact CD1-CB 4.23Å; L148-K186 HydrophobicContact CD1-CD 4.37Å; L148-K186 HydrophobicContact CD2-CB 4.3Å; L148-Y187 WeakPolarHBondContact CA-OH 3.31Å; L148-Y187 HydrophobicContact CB-CD1 4.3Å; L148-Y187 HydrophobicContact CB-CE1 3.59Å; L148-Y187 HydrophobicContact CD2-CD1 3.75Å; L148-Y187 HydrophobicContact CD2-CD2 4.41Å; L148-Y187 HydrophobicContact CD2-CE1 3.9Å; L148-Y187 HydrophobicContact CD2-CG 4.01Å; L148-Y187 HydrophobicContact CG-CD1 4.11Å; L148-Y187 HydrophobicContact CG-CD2 4.43Å; L148-Y187 HydrophobicContact CG-CE1 3.74Å; L148-Y187 HydrophobicContact CG-CE2 4.07Å; L148-Y187 HydrophobicContact CG-CG 4.42Å
149	T	90.3	Very high	80.3	Confident	64 Å²	64	73.4 Å²	73.4	39%	0.393	38%	0.375	S	S	.	.			trans	-108.4	137.9	-175.9	68.7	0	0	0	0	111.4	L144 Q151 T152 L153 Y187	L144-T149 WeakPolarHBondContact CD2-O 3.3Å; T149-Q151 PolarHBondContact O-N 2.88Å; T149-T152 PolarHBondContact O-N 2.89Å; T149-T152 VanDerWaalsContact O-N 3.14Å; T149-T152 PolarHBondContact OG1-N 3.08Å; T149-T152 PolarHBondContact OG1-OG1 3.48Å; T149-L153 PolarHBondContact O-N 2.93Å; T149-L153 VanDerWaalsContact O-N 3.1Å; T149-Y187 PolarHBondContact N-OH 2.89Å
150	P	89.5	Confident	82.8	Confident	91 Å²	91	65.7 Å²	65.7	59%	0.591	34%	0.339	S	S	*	.	H	α-helix	trans	-57.6	-34.1	179.4	-26.7	34.9	0	0	0	113	L144 L153 R154	L144-P150 HydrophobicContact CD2-CG 4.18Å; L144-P150 VanDerWaalsContact CD2-N 3.32Å; P150-L153 PolarHBondContact O-N 3.43Å; P150-R154 WeakPolarHBondContact O-CB 3.22Å; P150-R154 PolarHBondContact O-N 3.04Å
151	Q	91.6	Very high	84.9	Confident	146 Å²	146	66.7 Å²	66.7	68%	0.682	35%	0.345	S	S	*	.	H	α-helix	trans	-62.6	-44.7	177.7	-172.8	178.4	5.4	0	0	112.3	T149 R154 T155	T149-Q151 PolarHBondContact O-N 2.88Å; Q151-R154 PolarHBondContact O-N 3.41Å; Q151-T155 PolarHBondContact O-N 3.39Å; Q151-T155 PolarHBondContact O-OG1 3.43Å; Q151-T155 VanDerWaalsContact O-OG1 3.11Å
152	T	93.7	Very high	87	Confident	34 Å²	34	67.6 Å²	67.6	21%	0.209	36%	0.357	C	S	.	.	H	α-helix	trans	-68	-42.1	177.9	-49.7	0	0	0	0	110.6	T149 R154 T155 L156 I179 Y187	T149-T152 PolarHBondContact O-N 2.89Å; T149-T152 VanDerWaalsContact O-N 3.14Å; T149-T152 PolarHBondContact OG1-N 3.08Å; T149-T152 PolarHBondContact OG1-OG1 3.48Å; T152-R154 VanDerWaalsContact C-N 3.29Å; T152-R154 PolarHBondContact O-N 3.14Å; T152-T155 PolarHBondContact O-N 3.22Å; T152-L156 HydrophobicContact CG2-CD1 4.35Å; T152-L156 WeakPolarHBondContact O-CG 3.31Å; T152-L156 PolarHBondContact O-N 3.22Å; T152-L156 VanDerWaalsContact O-N 3.08Å; T152-I179 HydrophobicContact CG2-CD1 4.04Å; T152-Y187 VanDerWaalsContact CB-OH 3.29Å; T152-Y187 WeakPolarHBondContact CB-OH 3.33Å; T152-Y187 HydrophobicContact CG2-CD2 4.3Å; T152-Y187 HydrophobicContact CG2-CE1 4.33Å; T152-Y187 HydrophobicContact CG2-CE2 3.64Å; T152-Y187 PolarHBondContact OG1-OH 3.49Å
153	L	94.5	Very high	88.8	Confident	6 Å²	6	67.7 Å²	67.7	3%	0.031	36%	0.36	C	S	.	.	H	α-helix	trans	-56.2	-47	175.8	176.5	66.9	0	0	0	110.8	L144 T149 P150 T155 L156 C157 Y187 W190 L191 Y226	L144-L153 HydrophobicContact CD1-CB 4.42Å; L144-L153 HydrophobicContact CD1-CD2 4Å; L144-L153 HydrophobicContact CD2-CB 4.29Å; L144-L153 HydrophobicContact CD2-CD2 4.45Å; T149-L153 PolarHBondContact O-N 2.93Å; T149-L153 VanDerWaalsContact O-N 3.1Å; P150-L153 PolarHBondContact O-N 3.43Å; L153-T155 PolarHBondContact O-N 3.34Å; L153-L156 PolarHBondContact O-N 3.27Å; L153-C157 WeakPolarHBondContact O-CB 3.47Å; L153-C157 PolarHBondContact O-N 3.27Å; L153-C157 PolarHBondContact O-SG 2.84Å; L153-C157 VanDerWaalsContact O-SG 3.35Å; L153-Y187 HydrophobicContact CB-CD1 4.02Å; L153-Y187 HydrophobicContact CB-CE1 4Å; L153-Y187 HydrophobicContact CD1-CD1 4.08Å; L153-W190 HydrophobicContact CD1-CE3 4Å; L153-W190 HydrophobicContact CD1-CZ3 3.58Å; L153-W190 HydrophobicContact CD2-CH2 3.8Å; L153-W190 HydrophobicContact CD2-CZ3 3.63Å; L153-W190 HydrophobicContact CG-CZ3 4.26Å; L153-L191 HydrophobicContact CD1-CD2 4.18Å; L153-L191 HydrophobicContact CD1-CG 4.43Å; L153-Y226 HydrophobicContact CD2-CD1 3.41Å; L153-Y226 VanDerWaalsContact CD2-CD1 3.41Å; L153-Y226 HydrophobicContact CD2-CE1 3.87Å; L153-Y226 HydrophobicContact CD2-CG 3.95Å; L153-Y226 HydrophobicContact CG-CD1 4.38Å; L153-Y226 HydrophobicContact CG-CG 4.5Å
154	R	93.4	Very high	89.7	Confident	92 Å²	92	61.6 Å²	61.6	35%	0.347	34%	0.34	S	S	.	.	H	α-helix	trans	-56	-48.6	177.7	-176.9	-174	-63	145.7	-6.8	111.9	P150 Q151 T152 L156 C157 Q158 Y226 C227 Q228	P150-R154 WeakPolarHBondContact O-CB 3.22Å; P150-R154 PolarHBondContact O-N 3.04Å; Q151-R154 PolarHBondContact O-N 3.41Å; T152-R154 VanDerWaalsContact C-N 3.29Å; T152-R154 PolarHBondContact O-N 3.14Å; R154-L156 VanDerWaalsContact C-N 3.29Å; R154-L156 PolarHBondContact O-N 3.35Å; R154-C157 PolarHBondContact O-N 3.45Å; R154-Q158 HydrophobicContact CG-CG 4.28Å; R154-Q158 WeakPolarHBondContact O-CB 3.19Å; R154-Q158 VanDerWaalsContact O-CG 3.29Å; R154-Q158 WeakPolarHBondContact O-CG 3.46Å; R154-Q158 PolarHBondContact O-N 2.92Å; R154-Y226 VanDerWaalsContact CA-O 3.3Å; R154-Y226 WeakPolarHBondContact CA-O 3.31Å; R154-Y226 WeakPolarHBondContact CB-O 3.42Å; R154-Y226 WeakPolarHBondContact CG-O 3.42Å; R154-C227 WeakPolarHBondContact CG-O 3.14Å; R154-Q228 VanDerWaalsContact NE-C 3.26Å; R154-Q228 PolarHBondContact NE-O 2.74Å; R154-Q228 PolarHBondContact NE-OXT 3.01Å; R154-Q228 PolarHBondContact NH2-O 2.8Å; R154-Q228 PolarHBondContact NH2-OXT 3.35Å; R154-Q228 VanDerWaalsContact NH2-OXT 3.16Å
155	T	94.9	Very high	90	Very high	60 Å²	60	67.5 Å²	67.5	37%	0.368	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-40.7	179.4	-47.6	0	0	0	0	111.9	Q151 T152 L153 W159 V177	Q151-T155 PolarHBondContact O-N 3.39Å; Q151-T155 PolarHBondContact O-OG1 3.43Å; Q151-T155 VanDerWaalsContact O-OG1 3.11Å; T152-T155 PolarHBondContact O-N 3.22Å; L153-T155 PolarHBondContact O-N 3.34Å; T155-W159 PolarHBondContact O-N 2.97Å; T155-V177 HydrophobicContact CG2-CG1 3.44Å; T155-V177 VanDerWaalsContact CG2-CG1 3.44Å; T155-V177 HydrophobicContact CG2-CG2 4.4Å
156	L	96	Very high	90.6	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-65.9	-46.3	175.8	-63	172.9	0	0	0	111.4	T152 L153 R154 Q158 W159 I160 L173 V177 I179 Y187	T152-L156 HydrophobicContact CG2-CD1 4.35Å; T152-L156 WeakPolarHBondContact O-CG 3.31Å; T152-L156 PolarHBondContact O-N 3.22Å; T152-L156 VanDerWaalsContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3.27Å; R154-L156 VanDerWaalsContact C-N 3.29Å; R154-L156 PolarHBondContact O-N 3.35Å; L156-Q158 PolarHBondContact O-N 3.08Å; L156-W159 PolarHBondContact O-N 3.43Å; L156-I160 VanDerWaalsContact O-CG1 3.24Å; L156-I160 WeakPolarHBondContact O-CG1 3.44Å; L156-I160 PolarHBondContact O-N 2.98Å; L156-L173 HydrophobicContact CD2-CD1 3.97Å; L156-L173 HydrophobicContact CD2-CD2 3.78Å; L156-L173 HydrophobicContact CD2-CG 3.74Å; L156-V177 HydrophobicContact CD2-CB 4.05Å; L156-V177 HydrophobicContact CD2-CG1 3.92Å; L156-V177 HydrophobicContact CD2-CG2 4.06Å; L156-I179 HydrophobicContact CD1-CD1 4.29Å; L156-I179 HydrophobicContact CD2-CD1 3.92Å; L156-I179 HydrophobicContact CG-CD1 4.49Å; L156-Y187 HydrophobicContact CD1-CD1 4.12Å; L156-Y187 HydrophobicContact CD1-CD2 3.72Å; L156-Y187 HydrophobicContact CD1-CG 3.48Å; L156-Y187 VanDerWaalsContact CD1-CG 3.48Å
157	C	94.2	Very high	91.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-39.4	179.4	-71.1	0	0	0	0	112.4	L153 R154 W159 I160 D161 L223 Y226 C227	L153-C157 WeakPolarHBondContact O-CB 3.47Å; L153-C157 PolarHBondContact O-N 3.27Å; L153-C157 PolarHBondContact O-SG 2.84Å; L153-C157 VanDerWaalsContact O-SG 3.35Å; R154-C157 PolarHBondContact O-N 3.45Å; C157-W159 VanDerWaalsContact C-N 3.34Å; C157-W159 PolarHBondContact O-N 3.48Å; C157-I160 PolarHBondContact O-N 3Å; C157-D161 WeakPolarHBondContact O-CB 3.26Å; C157-D161 PolarHBondContact O-N 3.04Å; C157-L223 HydrophobicContact CB-CD1 3.96Å; C157-L223 HydrophobicContact CB-CG 4.31Å; C157-Y226 VanDerWaalsContact SG-CB 3.54Å; C157-C227 VanDerWaalsContact C-SG 3.57Å
158	Q	94.6	Very high	92.2	Very high	94 Å²	94	60.2 Å²	60.2	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-41.2	175.4	-75.2	174.4	-11.2	0	0	111.9	R154 L156 D161 A162 C227	R154-Q158 HydrophobicContact CG-CG 4.28Å; R154-Q158 WeakPolarHBondContact O-CB 3.19Å; R154-Q158 VanDerWaalsContact O-CG 3.29Å; R154-Q158 WeakPolarHBondContact O-CG 3.46Å; R154-Q158 PolarHBondContact O-N 2.92Å; L156-Q158 PolarHBondContact O-N 3.08Å; Q158-D161 PolarHBondContact O-N 3.27Å; Q158-A162 PolarHBondContact O-N 3.49Å; Q158-A162 VanDerWaalsContact O-N 3.14Å; Q158-C227 HydrophobicContact CG-CB 4.04Å; Q158-C227 PolarHBondContact NE2-O 3.33Å
159	W	95.5	Very high	92.5	Very high	35 Å²	35	59.3 Å²	59.3	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-43.8	175.3	-171.5	97.2	0	0	0	111.3	T155 L156 C157 D161 A162 H163 Y166 F168 L173 E176 V177	T155-W159 PolarHBondContact O-N 2.97Å; L156-W159 PolarHBondContact O-N 3.43Å; C157-W159 VanDerWaalsContact C-N 3.34Å; C157-W159 PolarHBondContact O-N 3.48Å; W159-D161 VanDerWaalsContact C-N 3.34Å; W159-D161 PolarHBondContact O-N 3.41Å; W159-A162 PolarHBondContact O-N 3.44Å; W159-H163 AromaticContact CD1-CE1 3.89Å; W159-H163 AromaticContact CD2-ND1 3.59Å; W159-H163 AromaticContact CE2-CE1 3.58Å; W159-H163 AromaticContact CE2-ND1 3.53Å; W159-H163 HydrophobicContact CE3-CB 4.44Å; W159-H163 AromaticContact CE3-ND1 3.97Å; W159-H163 AromaticContact CG-ND1 3.99Å; W159-H163 HydrophobicContact CH2-CB 4.31Å; W159-H163 AromaticContact CZ2-ND1 3.91Å; W159-H163 HydrophobicContact CZ3-CB 4.17Å; W159-H163 AromaticContact NE1-CE1 3.47Å; W159-H163 PolarHBondContact NE1-CE1 3Å; W159-H163 AromaticContact NE1-ND1 3.83Å; W159-H163 PolarHBondContact O-N 2.91Å; W159-H163 PolarHBondContact O-ND1 2.93Å; W159-Y166 HydrophobicContact CH2-CD1 4.47Å; W159-F168 HydrophobicContact CH2-CB 3.91Å; W159-F168 HydrophobicContact CH2-CD1 4.37Å; W159-F168 HydrophobicContact CH2-CG 4.11Å; W159-F168 HydrophobicContact CZ3-CB 4.04Å; W159-F168 AromaticContact CZ3-CD1 3.72Å; W159-F168 HydrophobicContact CZ3-CD1 3.72Å; W159-F168 HydrophobicContact CZ3-CD2 4.19Å; W159-F168 HydrophobicContact CZ3-CE1 4.22Å; W159-F168 AromaticContact CZ3-CG 3.71Å; W159-F168 HydrophobicContact CZ3-CG 3.71Å; W159-L173 HydrophobicContact CB-CD1 4.04Å; W159-L173 HydrophobicContact CD2-CD1 3.58Å; W159-L173 HydrophobicContact CE3-CD1 3.43Å; W159-L173 VanDerWaalsContact CE3-CD1 3.43Å; W159-L173 HydrophobicContact CG-CD1 3.86Å; W159-L173 HydrophobicContact CZ3-CD1 4.07Å; W159-E176 HydrophobicContact CZ2-CB 4.42Å; W159-E176 HydrophobicContact CZ2-CG 3.93Å; W159-V177 HydrophobicContact CB-CG2 4.12Å; W159-V177 HydrophobicContact CG-CG2 4.3Å
160	I	95.1	Very high	92.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-40.5	178	-64	164.8	0	0	0	110.9	L156 C157 A162 H163 Q164 F168 L173 L191 L197 I215 L223	L156-I160 VanDerWaalsContact O-CG1 3.24Å; L156-I160 WeakPolarHBondContact O-CG1 3.44Å; L156-I160 PolarHBondContact O-N 2.98Å; C157-I160 PolarHBondContact O-N 3Å; I160-A162 VanDerWaalsContact C-N 3.25Å; I160-A162 PolarHBondContact O-N 2.87Å; I160-H163 CarbonylContact O-C 3.56Å; I160-H163 PolarHBondContact O-N 3.31Å; I160-H163 VanDerWaalsContact O-N 3.11Å; I160-Q164 PolarHBondContact O-N 3.19Å; I160-F168 HydrophobicContact CD1-CZ 3.93Å; I160-F168 HydrophobicContact CG1-CE1 4.08Å; I160-F168 HydrophobicContact CG1-CE2 4.48Å; I160-F168 HydrophobicContact CG1-CZ 3.7Å; I160-F168 HydrophobicContact CG2-CE1 4.36Å; I160-L173 HydrophobicContact CD1-CD2 4.38Å; I160-L191 HydrophobicContact CD1-CD1 3.9Å; I160-L197 HydrophobicContact CD1-CD1 4.26Å; I160-L197 HydrophobicContact CD1-CD2 4.48Å; I160-L197 HydrophobicContact CG2-CD2 4.18Å; I160-I215 HydrophobicContact CG2-CB 4.29Å; I160-I215 HydrophobicContact CG2-CD1 4.4Å; I160-L223 HydrophobicContact CB-CD1 4.39Å; I160-L223 HydrophobicContact CB-CD2 4.1Å; I160-L223 HydrophobicContact CG2-CD1 4.18Å; I160-L223 HydrophobicContact CG2-CD2 3.79Å
161	D	92.7	Very high	93	Very high	43 Å²	43	55.1 Å²	55.1	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-27.4	178.3	-167	51.8	0	0	0	112.3	C157 Q158 W159 Q164 L223 K224	C157-D161 WeakPolarHBondContact O-CB 3.26Å; C157-D161 PolarHBondContact O-N 3.04Å; Q158-D161 PolarHBondContact O-N 3.27Å; W159-D161 VanDerWaalsContact C-N 3.34Å; W159-D161 PolarHBondContact O-N 3.41Å; D161-Q164 WeakPolarHBondContact O-CG 3.49Å; D161-Q164 PolarHBondContact O-NE2 3.04Å; D161-Q164 PolarHBondContact OD1-NE2 3.15Å; D161-L223 HydrophobicContact CB-CD2 3.71Å; D161-K224 WeakPolarHBondContact OD1-CE 3.33Å
162	A	92.5	Very high	93.2	Very high	75 Å²	75	50.7 Å²	50.7	62%	0.62	26%	0.257	S	S	*	.	H	α-helix	trans	-79.5	-16.2	174.1	0	0	0	0	0	113.5	Q158 W159 I160	Q158-A162 PolarHBondContact O-N 3.49Å; Q158-A162 VanDerWaalsContact O-N 3.14Å; W159-A162 PolarHBondContact O-N 3.44Å; I160-A162 VanDerWaalsContact C-N 3.25Å; I160-A162 PolarHBondContact O-N 2.87Å
163	H	92.8	Very high	93.4	Very high	77 Å²	77	49.1 Å²	49.1	36%	0.356	25%	0.247	S	C	.	.			trans	-126.4	45.5	-173.6	-59.8	87.4	0	0	0	112.1	W159 I160 D165 Y166	W159-H163 AromaticContact CD1-CE1 3.89Å; W159-H163 AromaticContact CD2-ND1 3.59Å; W159-H163 AromaticContact CE2-CE1 3.58Å; W159-H163 AromaticContact CE2-ND1 3.53Å; W159-H163 HydrophobicContact CE3-CB 4.44Å; W159-H163 AromaticContact CE3-ND1 3.97Å; W159-H163 AromaticContact CG-ND1 3.99Å; W159-H163 HydrophobicContact CH2-CB 4.31Å; W159-H163 AromaticContact CZ2-ND1 3.91Å; W159-H163 HydrophobicContact CZ3-CB 4.17Å; W159-H163 AromaticContact NE1-CE1 3.47Å; W159-H163 PolarHBondContact NE1-CE1 3Å; W159-H163 AromaticContact NE1-ND1 3.83Å; W159-H163 PolarHBondContact O-N 2.91Å; W159-H163 PolarHBondContact O-ND1 2.93Å; I160-H163 CarbonylContact O-C 3.56Å; I160-H163 PolarHBondContact O-N 3.31Å; I160-H163 VanDerWaalsContact O-N 3.11Å; H163-D165 VanDerWaalsContact C-N 3.28Å; H163-D165 PolarHBondContact O-N 2.78Å; H163-Y166 PolarHBondContact O-N 3Å
164	Q	84.7	Confident	93.5	Very high	59 Å²	59	48.9 Å²	48.9	28%	0.276	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.5	-170.3	-60.9	-174.1	-17.2	0	0	114.7	I160 D161 I215 Y220	I160-Q164 PolarHBondContact O-N 3.19Å; D161-Q164 WeakPolarHBondContact O-CG 3.49Å; D161-Q164 PolarHBondContact O-NE2 3.04Å; D161-Q164 PolarHBondContact OD1-NE2 3.15Å; Q164-I215 HydrophobicContact CB-CG2 4.27Å; Q164-I215 VanDerWaalsContact O-CG2 3.25Å; Q164-I215 WeakPolarHBondContact O-CG2 3.46Å; Q164-Y220 HydrophobicContact CB-CE1 3.73Å; Q164-Y220 HydrophobicContact CG-CD1 4.32Å; Q164-Y220 HydrophobicContact CG-CE1 3.6Å
165	D	84	Confident	93.7	Very high	165 Å²	165	49.9 Å²	49.9	88%	0.882	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	6.3	-177.1	-62.6	-43.5	0	0	0	113.5	H163	H163-D165 VanDerWaalsContact C-N 3.28Å; H163-D165 PolarHBondContact O-N 2.78Å
166	Y	88	Confident	93.7	Very high	113 Å²	113	52.9 Å²	52.9	44%	0.443	27%	0.268	S	S	.	.			trans	-112.8	131.5	-172	-170.8	-107	0	0	0	112.4	W159 H163 F168	W159-Y166 HydrophobicContact CH2-CD1 4.47Å; H163-Y166 PolarHBondContact O-N 3Å; Y166-F168 HydrophobicContact CD1-CB 4.02Å; Y166-F168 HydrophobicContact CE1-CB 4.04Å
167	E	93.3	Very high	93.7	Very high	83 Å²	83	54 Å²	54	39%	0.388	28%	0.275	S	S	.	.			trans	-85.5	120.6	168.7	-63.9	-160	152.4	0	0	110.9	R212 Y213 R214	E167-R212 PolarHBondContact O-NH1 2.88Å; E167-Y213 WeakPolarHBondContact CA-O 3.35Å; E167-R214 HydrophobicContact CG-CB 4.24Å
168	F	95.5	Very high	93.7	Very high	1 Å²	1	61 Å²	61	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.2	-176.7	60.8	-88.2	0	0	0	112.2	W159 I160 Y166 E172 L173 L188 L197 R212 Y213	W159-F168 HydrophobicContact CH2-CB 3.91Å; W159-F168 HydrophobicContact CH2-CD1 4.37Å; W159-F168 HydrophobicContact CH2-CG 4.11Å; W159-F168 HydrophobicContact CZ3-CB 4.04Å; W159-F168 AromaticContact CZ3-CD1 3.72Å; W159-F168 HydrophobicContact CZ3-CD1 3.72Å; W159-F168 HydrophobicContact CZ3-CD2 4.19Å; W159-F168 HydrophobicContact CZ3-CE1 4.22Å; W159-F168 AromaticContact CZ3-CG 3.71Å; W159-F168 HydrophobicContact CZ3-CG 3.71Å; I160-F168 HydrophobicContact CD1-CZ 3.93Å; I160-F168 HydrophobicContact CG1-CE1 4.08Å; I160-F168 HydrophobicContact CG1-CE2 4.48Å; I160-F168 HydrophobicContact CG1-CZ 3.7Å; I160-F168 HydrophobicContact CG2-CE1 4.36Å; Y166-F168 HydrophobicContact CD1-CB 4.02Å; Y166-F168 HydrophobicContact CE1-CB 4.04Å; F168-E172 VanDerWaalsContact CA-OE2 3.23Å; F168-E172 WeakPolarHBondContact CA-OE2 3.49Å; F168-L173 HydrophobicContact CD2-CB 3.94Å; F168-L173 HydrophobicContact CD2-CD2 4.27Å; F168-L173 HydrophobicContact CE2-CB 4.26Å; F168-L173 HydrophobicContact CE2-CD2 3.73Å; F168-L173 HydrophobicContact CZ-CD2 4.49Å; F168-L188 HydrophobicContact CE2-CD2 3.84Å; F168-L188 HydrophobicContact CZ-CD2 4.32Å; F168-L197 HydrophobicContact CZ-CD1 4.3Å; F168-L197 HydrophobicContact CZ-CD2 4.4Å; F168-R212 CarbonylContact O-C 2.91Å; F168-R212 WeakPolarHBondContact O-CA 3.39Å; F168-Y213 WeakPolarHBondContact CD1-O 3.28Å; F168-Y213 HydrophobicContact CE2-CD2 4.37Å; F168-Y213 HydrophobicContact CE2-CG 4.28Å; F168-Y213 PolarHBondContact N-O 2.83Å; F168-Y213 PolarHBondContact O-N 2.98Å
169	S	94.9	Very high	93.8	Very high	7 Å²	7	58.7 Å²	58.7	5%	0.049	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	165.2	172.9	66.2	0	0	0	0	111	D171 E172 L173 Y211	S169-D171 PolarHBondContact O-N 3.16Å; S169-E172 PolarHBondContact N-OE2 3.43Å; S169-E172 PolarHBondContact O-N 3.3Å; S169-E172 WeakPolarHBondContact OG-CG 3.35Å; S169-E172 PolarHBondContact OG-N 3.19Å; S169-E172 PolarHBondContact OG-OE2 2.89Å; S169-E172 VanDerWaalsContact OG-OE2 3.1Å; S169-L173 PolarHBondContact O-N 3.44Å; S169-Y211 WeakPolarHBondContact CA-O 2.99Å
170	T	96	Very high	93.9	Very high	6 Å²	6	60 Å²	60	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-56.9	-37.4	171.7	-53.9	0	0	0	0	111.9	A174 R181 C184 R185 L188 Y213	T170-A174 WeakPolarHBondContact O-CB 3.42Å; T170-A174 PolarHBondContact O-N 3.05Å; T170-R181 HydrophobicContact CG2-CG 3.88Å; T170-C184 HydrophobicContact CG2-CB 4.19Å; T170-R185 HydrophobicContact CG2-CB 3.9Å; T170-R185 HydrophobicContact CG2-CG 4.49Å; T170-L188 HydrophobicContact CG2-CD1 4.15Å; T170-Y213 WeakPolarHBondContact OG1-CE2 3.26Å
171	D	94.9	Very high	93.9	Very high	60 Å²	60	65.8 Å²	65.8	32%	0.321	34%	0.339	S	S	.	.	H	α-helix	trans	-70.8	-41.7	-176	-69	-66.4	0	0	0	111.6	S169 N175 R181	S169-D171 PolarHBondContact O-N 3.16Å; D171-N175 WeakPolarHBondContact O-CB 3.46Å; D171-N175 PolarHBondContact O-N 3.08Å; D171-N175 VanDerWaalsContact O-N 3.13Å; D171-N175 PolarHBondContact O-ND2 2.8Å; D171-N175 VanDerWaalsContact O-ND2 3.15Å; D171-R181 VanDerWaalsContact CG-NE 3.34Å; D171-R181 WeakPolarHBondContact OD1-CD 3.48Å; D171-R181 WeakPolarHBondContact OD1-CG 3.29Å; D171-R181 IonicContact OD1-CZ 3.11Å; D171-R181 IonicContact OD1-NE 3.67Å; D171-R181 PolarHBondContact OD1-NE 3.15Å; D171-R181 IonicContact OD2-CZ 3.9Å; D171-R181 IonicContact OD2-NE 3.31Å; D171-R181 PolarHBondContact OD2-NE 2.95Å; D171-R181 VanDerWaalsContact OD2-NE 3.12Å; D171-R181 IonicContact OD2-NH2 3.92Å; D171-R181 PolarHBondContact OD2-NH2 3.38Å
172	E	95.9	Very high	93.9	Very high	54 Å²	54	68.4 Å²	68.4	25%	0.252	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-55.1	173.9	-71.9	159.8	162.6	0	0	110.8	F168 S169 A174 N175 E176 R212	F168-E172 VanDerWaalsContact CA-OE2 3.23Å; F168-E172 WeakPolarHBondContact CA-OE2 3.49Å; S169-E172 PolarHBondContact N-OE2 3.43Å; S169-E172 PolarHBondContact O-N 3.3Å; S169-E172 WeakPolarHBondContact OG-CG 3.35Å; S169-E172 PolarHBondContact OG-N 3.19Å; S169-E172 PolarHBondContact OG-OE2 2.89Å; S169-E172 VanDerWaalsContact OG-OE2 3.1Å; E172-A174 PolarHBondContact O-N 3.31Å; E172-N175 PolarHBondContact O-N 3.49Å; E172-E176 WeakPolarHBondContact O-CG 3.42Å; E172-E176 PolarHBondContact O-N 2.96Å; E172-R212 IonicContact OE1-CZ 2.78Å; E172-R212 IonicContact OE1-NH1 3.99Å; E172-R212 PolarHBondContact OE1-NH1 3.13Å; E172-R212 VanDerWaalsContact OE1-NH1 3.12Å; E172-R212 IonicContact OE1-NH2 2.68Å; E172-R212 IonicContact OE2-NH1 3.12Å; E172-R212 PolarHBondContact OE2-NH1 2.59Å; E172-R212 VanDerWaalsContact OE2-NH1 3.11Å
173	L	97.1	Very high	94	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-38.2	-178.8	177.8	61.6	0	0	0	113.1	L156 W159 I160 F168 S169 N175 E176 V177 L188	L156-L173 HydrophobicContact CD2-CD1 3.97Å; L156-L173 HydrophobicContact CD2-CD2 3.78Å; L156-L173 HydrophobicContact CD2-CG 3.74Å; W159-L173 HydrophobicContact CB-CD1 4.04Å; W159-L173 HydrophobicContact CD2-CD1 3.58Å; W159-L173 HydrophobicContact CE3-CD1 3.43Å; W159-L173 VanDerWaalsContact CE3-CD1 3.43Å; W159-L173 HydrophobicContact CG-CD1 3.86Å; W159-L173 HydrophobicContact CZ3-CD1 4.07Å; I160-L173 HydrophobicContact CD1-CD2 4.38Å; F168-L173 HydrophobicContact CD2-CB 3.94Å; F168-L173 HydrophobicContact CD2-CD2 4.27Å; F168-L173 HydrophobicContact CE2-CB 4.26Å; F168-L173 HydrophobicContact CE2-CD2 3.73Å; F168-L173 HydrophobicContact CZ-CD2 4.49Å; S169-L173 PolarHBondContact O-N 3.44Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.45Å; L173-E176 PolarHBondContact O-N 3.15Å; L173-V177 HydrophobicContact CD1-CG2 3.72Å; L173-V177 WeakPolarHBondContact O-CB 3.37Å; L173-V177 PolarHBondContact O-N 2.87Å; L173-L188 HydrophobicContact CD2-CD1 4.36Å; L173-L188 HydrophobicContact CD2-CD2 3.77Å; L173-L188 HydrophobicContact CD2-CG 4.33Å
174	A	97.3	Very high	94.2	Very high	2 Å²	2	63.6 Å²	63.6	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-38.8	179	0	0	0	0	0	112.3	T170 E172 N178 I179 C184	T170-A174 WeakPolarHBondContact O-CB 3.42Å; T170-A174 PolarHBondContact O-N 3.05Å; E172-A174 PolarHBondContact O-N 3.31Å; A174-N178 WeakPolarHBondContact O-CA 3.48Å; A174-N178 PolarHBondContact O-N 3.06Å; A174-I179 PolarHBondContact O-N 3.16Å; A174-C184 HydrophobicContact CB-CB 3.83Å
175	N	96.8	Very high	94.6	Very high	113 Å²	113	65.3 Å²	65.3	60%	0.604	33%	0.33	S	S	*	.	H	α-helix	trans	-69	-45.8	176.6	-70.5	-22	0	0	0	111.2	D171 E172 L173 V177 N178	D171-N175 WeakPolarHBondContact O-CB 3.46Å; D171-N175 PolarHBondContact O-N 3.08Å; D171-N175 VanDerWaalsContact O-N 3.13Å; D171-N175 PolarHBondContact O-ND2 2.8Å; D171-N175 VanDerWaalsContact O-ND2 3.15Å; E172-N175 PolarHBondContact O-N 3.49Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.45Å; N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.45Å; N175-N178 PolarHBondContact O-N 3.12Å
176	E	96.5	Very high	95.1	Very high	122 Å²	122	63.2 Å²	63.2	57%	0.57	31%	0.314	S	S	*	.	H	α-helix	trans	-61.9	-41	179.6	-69.1	-60.8	140.4	0	0	112.4	W159 E172 L173	W159-E176 HydrophobicContact CZ2-CB 4.42Å; W159-E176 HydrophobicContact CZ2-CG 3.93Å; E172-E176 WeakPolarHBondContact O-CG 3.42Å; E172-E176 PolarHBondContact O-N 2.96Å; L173-E176 PolarHBondContact O-N 3.15Å
177	V	95	Very high	95.4	Very high	23 Å²	23	58.4 Å²	58.4	14%	0.139	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	0.5	-178.4	179.4	0	0	0	0	112.7	T155 L156 W159 L173 N175 I179	T155-V177 HydrophobicContact CG2-CG1 3.44Å; T155-V177 VanDerWaalsContact CG2-CG1 3.44Å; T155-V177 HydrophobicContact CG2-CG2 4.4Å; L156-V177 HydrophobicContact CD2-CB 4.05Å; L156-V177 HydrophobicContact CD2-CG1 3.92Å; L156-V177 HydrophobicContact CD2-CG2 4.06Å; W159-V177 HydrophobicContact CB-CG2 4.12Å; W159-V177 HydrophobicContact CG-CG2 4.3Å; L173-V177 HydrophobicContact CD1-CG2 3.72Å; L173-V177 WeakPolarHBondContact O-CB 3.37Å; L173-V177 PolarHBondContact O-N 2.87Å; N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.45Å; V177-I179 HydrophobicContact CG1-CG2 4.34Å; V177-I179 PolarHBondContact O-N 3.35Å
178	N	95.4	Very high	95.5	Very high	147 Å²	147	54.4 Å²	54.4	79%	0.786	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	47	178.9	-68.2	-71.8	0	0	0	114.2	A174 N175	A174-N178 WeakPolarHBondContact O-CA 3.48Å; A174-N178 PolarHBondContact O-N 3.06Å; N175-N178 PolarHBondContact O-N 3.12Å
179	I	96	Very high	95.2	Very high	47 Å²	47	58.1 Å²	58.1	24%	0.241	30%	0.295	C	S	.	.			trans	-123.3	161.6	173.7	63.8	168	0	0	0	111.2	T152 L156 A174 V177 R181 C184	T152-I179 HydrophobicContact CG2-CD1 4.04Å; L156-I179 HydrophobicContact CD1-CD1 4.29Å; L156-I179 HydrophobicContact CD2-CD1 3.92Å; L156-I179 HydrophobicContact CG-CD1 4.49Å; A174-I179 PolarHBondContact O-N 3.16Å; V177-I179 HydrophobicContact CG1-CG2 4.34Å; V177-I179 PolarHBondContact O-N 3.35Å; I179-R181 PolarHBondContact O-N 3.45Å; I179-C184 HydrophobicContact CD1-CB 3.67Å; I179-C184 HydrophobicContact CG1-CB 4Å
180	S	96.4	Very high	94.9	Very high	62 Å²	62	58.4 Å²	58.4	43%	0.434	30%	0.295	S	S	.	.			trans	-60.2	139.8	175.8	91.1	0	0	0	0	111	V182 S183 C184	S180-V182 PolarHBondContact O-N 3.33Å; S180-S183 WeakPolarHBondContact O-CB 3.47Å; S180-S183 PolarHBondContact O-N 3.03Å; S180-S183 WeakPolarHBondContact OG-CB 3.41Å; S180-S183 PolarHBondContact OG-N 2.84Å; S180-S183 PolarHBondContact OG-OG 2.98Å; S180-C184 PolarHBondContact O-N 3.32Å
181	R	95.4	Very high	94.6	Very high	123 Å²	123	58.1 Å²	58.1	46%	0.464	29%	0.293	S	S	.	.	H	α-helix	trans	-50.4	-40.9	172.9	-174.7	-167.7	-171.8	-117.9	-2.2	112.6	T170 D171 I179 R185	T170-R181 HydrophobicContact CG2-CG 3.88Å; D171-R181 VanDerWaalsContact CG-NE 3.34Å; D171-R181 WeakPolarHBondContact OD1-CD 3.48Å; D171-R181 WeakPolarHBondContact OD1-CG 3.29Å; D171-R181 IonicContact OD1-CZ 3.11Å; D171-R181 IonicContact OD1-NE 3.67Å; D171-R181 PolarHBondContact OD1-NE 3.15Å; D171-R181 IonicContact OD2-CZ 3.9Å; D171-R181 IonicContact OD2-NE 3.31Å; D171-R181 PolarHBondContact OD2-NE 2.95Å; D171-R181 VanDerWaalsContact OD2-NE 3.12Å; D171-R181 IonicContact OD2-NH2 3.92Å; D171-R181 PolarHBondContact OD2-NH2 3.38Å; I179-R181 PolarHBondContact O-N 3.45Å; R181-R185 WeakPolarHBondContact O-CB 3.44Å; R181-R185 PolarHBondContact O-N 3.37Å
182	V	94.2	Very high	94.2	Very high	98 Å²	98	57 Å²	57	59%	0.594	29%	0.289	S	S	*	.	H	α-helix	trans	-66.3	-41.8	179.7	179.1	0	0	0	0	111	S180 K186	S180-V182 PolarHBondContact O-N 3.33Å; V182-K186 PolarHBondContact O-N 3.46Å
183	S	93.3	Very high	93.5	Very high	51 Å²	51	59.1 Å²	59.1	36%	0.357	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-52	175	-61.6	0	0	0	0	110.8	S180 R185 K186 Y187	S180-S183 WeakPolarHBondContact O-CB 3.47Å; S180-S183 PolarHBondContact O-N 3.03Å; S180-S183 WeakPolarHBondContact OG-CB 3.41Å; S180-S183 PolarHBondContact OG-N 2.84Å; S180-S183 PolarHBondContact OG-OG 2.98Å; S183-R185 VanDerWaalsContact C-N 3.28Å; S183-R185 PolarHBondContact O-N 2.88Å; S183-K186 WeakPolarHBondContact O-CB 3.38Å; S183-K186 PolarHBondContact O-N 3.19Å; S183-Y187 WeakPolarHBondContact O-CD2 3.4Å
184	C	96.6	Very high	92.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-52.1	-46.9	178.8	-175.2	0	0	0	0	111.7	T170 A174 I179 S180 K186 Y187 L188	T170-C184 HydrophobicContact CG2-CB 4.19Å; A174-C184 HydrophobicContact CB-CB 3.83Å; I179-C184 HydrophobicContact CD1-CB 3.67Å; I179-C184 HydrophobicContact CG1-CB 4Å; S180-C184 PolarHBondContact O-N 3.32Å; C184-K186 VanDerWaalsContact C-N 3.27Å; C184-K186 PolarHBondContact O-N 2.89Å; C184-Y187 PolarHBondContact O-N 3.34Å; C184-Y187 VanDerWaalsContact O-N 3.1Å; C184-L188 PolarHBondContact O-N 3Å
185	R	95.1	Very high	91.8	Very high	94 Å²	94	65.1 Å²	65.1	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-57.4	-36.7	179.8	-166	173.3	-176.9	173.9	1.9	113.6	T170 R181 S183 Y187 L188 I189	T170-R185 HydrophobicContact CG2-CB 3.9Å; T170-R185 HydrophobicContact CG2-CG 4.49Å; R181-R185 WeakPolarHBondContact O-CB 3.44Å; R181-R185 PolarHBondContact O-N 3.37Å; S183-R185 VanDerWaalsContact C-N 3.28Å; S183-R185 PolarHBondContact O-N 2.88Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-Y187 PolarHBondContact O-N 3.3Å; R185-L188 PolarHBondContact O-N 3.27Å; R185-I189 HydrophobicContact CG-CD1 3.99Å; R185-I189 HydrophobicContact CG-CG1 4.39Å; R185-I189 VanDerWaalsContact O-CG1 3.3Å; R185-I189 WeakPolarHBondContact O-CG1 3.26Å; R185-I189 PolarHBondContact O-N 3.29Å
186	K	93.5	Very high	91.3	Very high	122 Å²	122	59.8 Å²	59.8	53%	0.53	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-41.7	178.5	-67.5	177.9	-178.4	-177.2	0	111.5	L148 V182 S183 C184 W190	L148-K186 HydrophobicContact CD1-CB 4.23Å; L148-K186 HydrophobicContact CD1-CD 4.37Å; L148-K186 HydrophobicContact CD2-CB 4.3Å; V182-K186 PolarHBondContact O-N 3.46Å; S183-K186 WeakPolarHBondContact O-CB 3.38Å; S183-K186 PolarHBondContact O-N 3.19Å; C184-K186 VanDerWaalsContact C-N 3.27Å; C184-K186 PolarHBondContact O-N 2.89Å; K186-W190 WeakPolarHBondContact O-CB 3.13Å; K186-W190 PolarHBondContact O-N 2.99Å; K186-W190 VanDerWaalsContact O-N 3.16Å
187	Y	95.1	Very high	91.1	Very high	11 Å²	11	54 Å²	54	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-40.1	176	-66.1	-90.4	0	0	0	111.7	L144 L148 T149 T152 L153 L156 S183 C184 R185 W190 L191	L144-Y187 HydrophobicContact CD1-CD1 4.14Å; L144-Y187 HydrophobicContact CD1-CE1 4.09Å; L144-Y187 HydrophobicContact CD2-CE1 4.35Å; L148-Y187 WeakPolarHBondContact CA-OH 3.31Å; L148-Y187 HydrophobicContact CB-CD1 4.3Å; L148-Y187 HydrophobicContact CB-CE1 3.59Å; L148-Y187 HydrophobicContact CD2-CD1 3.75Å; L148-Y187 HydrophobicContact CD2-CD2 4.41Å; L148-Y187 HydrophobicContact CD2-CE1 3.9Å; L148-Y187 HydrophobicContact CD2-CG 4.01Å; L148-Y187 HydrophobicContact CG-CD1 4.11Å; L148-Y187 HydrophobicContact CG-CD2 4.43Å; L148-Y187 HydrophobicContact CG-CE1 3.74Å; L148-Y187 HydrophobicContact CG-CE2 4.07Å; L148-Y187 HydrophobicContact CG-CG 4.42Å; T149-Y187 PolarHBondContact N-OH 2.89Å; T152-Y187 VanDerWaalsContact CB-OH 3.29Å; T152-Y187 WeakPolarHBondContact CB-OH 3.33Å; T152-Y187 HydrophobicContact CG2-CD2 4.3Å; T152-Y187 HydrophobicContact CG2-CE1 4.33Å; T152-Y187 HydrophobicContact CG2-CE2 3.64Å; T152-Y187 PolarHBondContact OG1-OH 3.49Å; L153-Y187 HydrophobicContact CB-CD1 4.02Å; L153-Y187 HydrophobicContact CB-CE1 4Å; L153-Y187 HydrophobicContact CD1-CD1 4.08Å; L156-Y187 HydrophobicContact CD1-CD1 4.12Å; L156-Y187 HydrophobicContact CD1-CD2 3.72Å; L156-Y187 HydrophobicContact CD1-CG 3.48Å; L156-Y187 VanDerWaalsContact CD1-CG 3.48Å; S183-Y187 WeakPolarHBondContact O-CD2 3.4Å; C184-Y187 PolarHBondContact O-N 3.34Å; C184-Y187 VanDerWaalsContact O-N 3.1Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-Y187 PolarHBondContact O-N 3.3Å; Y187-W190 WeakPolarHBondContact O-CB 3.46Å; Y187-W190 PolarHBondContact O-N 3.07Å; Y187-L191 WeakPolarHBondContact O-CG 3.28Å; Y187-L191 PolarHBondContact O-N 2.68Å
188	L	94.7	Very high	90.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-43.9	178.2	-68.2	175.6	0	0	0	112.6	F168 T170 L173 C184 R185 W190 L191 V192 L197 Y213	F168-L188 HydrophobicContact CE2-CD2 3.84Å; F168-L188 HydrophobicContact CZ-CD2 4.32Å; T170-L188 HydrophobicContact CG2-CD1 4.15Å; L173-L188 HydrophobicContact CD2-CD1 4.36Å; L173-L188 HydrophobicContact CD2-CD2 3.77Å; L173-L188 HydrophobicContact CD2-CG 4.33Å; C184-L188 PolarHBondContact O-N 3Å; R185-L188 PolarHBondContact O-N 3.27Å; L188-W190 PolarHBondContact O-N 2.72Å; L188-L191 PolarHBondContact O-N 2.7Å; L188-V192 VanDerWaalsContact O-CG2 3.31Å; L188-V192 WeakPolarHBondContact O-CG2 3.46Å; L188-V192 PolarHBondContact O-N 3.48Å; L188-L197 HydrophobicContact CD2-CD1 3.58Å; L188-Y213 HydrophobicContact CB-CD1 4.31Å; L188-Y213 HydrophobicContact CB-CE1 3.87Å; L188-Y213 HydrophobicContact CD1-CD2 3.89Å; L188-Y213 HydrophobicContact CD1-CE1 4.46Å; L188-Y213 HydrophobicContact CD1-CE2 3.67Å; L188-Y213 HydrophobicContact CD1-CG 4.39Å; L188-Y213 HydrophobicContact CD2-CG 4.45Å
189	I	89.2	Confident	90.4	Very high	79 Å²	79	52.9 Å²	52.9	41%	0.405	27%	0.265	S	S	.	.	H	α-helix	trans	-57.8	-43.3	173.4	-69.9	166.6	0	0	0	110	R185 V192 N193	R185-I189 HydrophobicContact CG-CD1 3.99Å; R185-I189 HydrophobicContact CG-CG1 4.39Å; R185-I189 VanDerWaalsContact O-CG1 3.3Å; R185-I189 WeakPolarHBondContact O-CG1 3.26Å; R185-I189 PolarHBondContact O-N 3.29Å; I189-V192 PolarHBondContact O-N 3.14Å; I189-N193 VanDerWaalsContact O-CG 3.22Å; I189-N193 PolarHBondContact O-N 3.13Å; I189-N193 PolarHBondContact O-OD1 3.29Å
190	W	88.1	Confident	90.1	Very high	13 Å²	13	52.3 Å²	52.3	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-43.2	178.6	180	76.9	0	0	0	112.7	P141 R142 R143 L144 P145 L153 K186 Y187 L188 V192 N193 C194 Y226	P141-W190 WeakPolarHBondContact O-CZ2 3.13Å; P141-W190 PolarHBondContact O-NE1 2.7Å; R142-W190 VanDerWaalsContact C-CZ2 3.42Å; R142-W190 WeakPolarHBondContact O-CZ2 3.35Å; R143-W190 PolarHBondContact O-NE1 3.46Å; L144-W190 HydrophobicContact CD1-CD2 4.13Å; L144-W190 HydrophobicContact CD1-CE3 4.14Å; L144-W190 HydrophobicContact CD1-CH2 4.22Å; L144-W190 HydrophobicContact CD1-CZ2 4.18Å; L144-W190 HydrophobicContact CD1-CZ3 4.22Å; P145-W190 VanDerWaalsContact CG-CD1 3.45Å; P145-W190 HydrophobicContact CG-CG 4.17Å; L153-W190 HydrophobicContact CD1-CE3 4Å; L153-W190 HydrophobicContact CD1-CZ3 3.58Å; L153-W190 HydrophobicContact CD2-CH2 3.8Å; L153-W190 HydrophobicContact CD2-CZ3 3.63Å; L153-W190 HydrophobicContact CG-CZ3 4.26Å; K186-W190 WeakPolarHBondContact O-CB 3.13Å; K186-W190 PolarHBondContact O-N 2.99Å; K186-W190 VanDerWaalsContact O-N 3.16Å; Y187-W190 WeakPolarHBondContact O-CB 3.46Å; Y187-W190 PolarHBondContact O-N 3.07Å; L188-W190 PolarHBondContact O-N 2.72Å; W190-V192 VanDerWaalsContact C-N 3.3Å; W190-V192 PolarHBondContact O-N 3.44Å; W190-N193 CarbonylContact O-C 3.49Å; W190-N193 WeakPolarHBondContact O-CB 3.41Å; W190-N193 PolarHBondContact O-N 3.34Å; W190-N193 VanDerWaalsContact O-N 3.15Å; W190-C194 PolarHBondContact O-N 2.8Å; W190-C194 PolarHBondContact O-SG 2.89Å; W190-Y226 AromaticContact CH2-CE1 3.79Å; W190-Y226 HydrophobicContact CH2-CE1 3.79Å; W190-Y226 HydrophobicContact CH2-CE2 4.37Å; W190-Y226 AromaticContact CH2-CZ 3.65Å; W190-Y226 WeakPolarHBondContact CH2-OH 3.18Å; W190-Y226 HydrophobicContact CZ3-CE1 4.48Å
191	L	90.8	Very high	89.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-33.6	174.7	-73.4	172.1	0	0	0	112.7	L153 I160 Y187 L188 C194 H195 I196 L197	L153-L191 HydrophobicContact CD1-CD2 4.18Å; L153-L191 HydrophobicContact CD1-CG 4.43Å; I160-L191 HydrophobicContact CD1-CD1 3.9Å; Y187-L191 WeakPolarHBondContact O-CG 3.28Å; Y187-L191 PolarHBondContact O-N 2.68Å; L188-L191 PolarHBondContact O-N 2.7Å; L191-C194 WeakPolarHBondContact O-CB 3.46Å; L191-C194 PolarHBondContact O-N 3.32Å; L191-H195 PolarHBondContact O-N 3.29Å; L191-I196 HydrophobicContact CD2-CB 4.29Å; L191-I196 HydrophobicContact CD2-CD1 3.71Å; L191-I196 HydrophobicContact CD2-CG2 4.31Å; L191-I196 PolarHBondContact O-N 3.47Å; L191-L197 HydrophobicContact CB-CB 4.46Å; L191-L197 HydrophobicContact CB-CD1 3.67Å; L191-L197 HydrophobicContact CB-CG 3.86Å; L191-L197 HydrophobicContact CD1-CD1 3.8Å; L191-L197 HydrophobicContact CD1-CG 4.41Å; L191-L197 HydrophobicContact CG-CD1 4.39Å; L191-L197 PolarHBondContact O-N 3.38Å
192	V	85.9	Confident	89.1	Confident	37 Å²	37	52.4 Å²	52.4	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-43.3	171.3	171.7	0	0	0	0	110.8	L188 I189 W190 C194 H195 L197 T199 Y213	L188-V192 VanDerWaalsContact O-CG2 3.31Å; L188-V192 WeakPolarHBondContact O-CG2 3.46Å; L188-V192 PolarHBondContact O-N 3.48Å; I189-V192 PolarHBondContact O-N 3.14Å; W190-V192 VanDerWaalsContact C-N 3.3Å; W190-V192 PolarHBondContact O-N 3.44Å; V192-C194 PolarHBondContact O-N 2.98Å; V192-H195 WeakPolarHBondContact O-CA 3.26Å; V192-H195 PolarHBondContact O-N 3.43Å; V192-L197 WeakPolarHBondContact CA-O 3.39Å; V192-L197 HydrophobicContact CG2-CB 3.9Å; V192-T199 HydrophobicContact CG1-CG2 4.29Å; V192-T199 HydrophobicContact CG2-CG2 4.46Å; V192-Y213 HydrophobicContact CG2-CD1 3.99Å; V192-Y213 HydrophobicContact CG2-CE1 3.97Å
193	N	81	Confident	88.6	Confident	97 Å²	97	55.6 Å²	55.6	52%	0.519	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-28.9	174.7	-66	-8.8	0	0	0	112.1	I189 W190 H195	I189-N193 VanDerWaalsContact O-CG 3.22Å; I189-N193 PolarHBondContact O-N 3.13Å; I189-N193 PolarHBondContact O-OD1 3.29Å; W190-N193 CarbonylContact O-C 3.49Å; W190-N193 WeakPolarHBondContact O-CB 3.41Å; W190-N193 PolarHBondContact O-N 3.34Å; W190-N193 VanDerWaalsContact O-N 3.15Å; N193-H195 PolarHBondContact O-CE1 2.9Å; N193-H195 PolarHBondContact O-N 3.18Å; N193-H195 PolarHBondContact O-ND1 3.2Å
194	C	79	Confident	87.7	Confident	9 Å²	9	55.5 Å²	55.5	6%	0.061	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.5	169.7	-61.9	0	0	0	0	113.9	P141 W190 L191 V192 I196	P141-C194 PolarHBondContact O-SG 2.69Å; W190-C194 PolarHBondContact O-N 2.8Å; W190-C194 PolarHBondContact O-SG 2.89Å; L191-C194 WeakPolarHBondContact O-CB 3.46Å; L191-C194 PolarHBondContact O-N 3.32Å; V192-C194 PolarHBondContact O-N 2.98Å; C194-I196 HydrophobicContact CB-CD1 3.68Å; C194-I196 HydrophobicContact CB-CG1 3.85Å; C194-I196 PolarHBondContact O-N 2.98Å
195	H	80.5	Confident	86.5	Confident	120 Å²	120	63 Å²	63	56%	0.556	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	17.1	-173.2	-54.1	67.8	0	0	0	113.5	L191 V192 N193 Q216 H219	L191-H195 PolarHBondContact O-N 3.29Å; V192-H195 WeakPolarHBondContact O-CA 3.26Å; V192-H195 PolarHBondContact O-N 3.43Å; N193-H195 PolarHBondContact O-CE1 2.9Å; N193-H195 PolarHBondContact O-N 3.18Å; N193-H195 PolarHBondContact O-ND1 3.2Å; H195-Q216 PolarHBondContact O-OE1 3.24Å; H195-H219 PolarHBondContact O-CD2 3.31Å
196	I	86.1	Confident	85.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-77.1	-36.2	176.9	-65.6	166	0	0	0	110.1	L191 C194 Q216 L222 L223 Y226	L191-I196 HydrophobicContact CD2-CB 4.29Å; L191-I196 HydrophobicContact CD2-CD1 3.71Å; L191-I196 HydrophobicContact CD2-CG2 4.31Å; L191-I196 PolarHBondContact O-N 3.47Å; C194-I196 HydrophobicContact CB-CD1 3.68Å; C194-I196 HydrophobicContact CB-CG1 3.85Å; C194-I196 PolarHBondContact O-N 2.98Å; I196-Q216 PolarHBondContact O-N 3.34Å; I196-L222 HydrophobicContact CD1-CD2 3.92Å; I196-L222 HydrophobicContact CD1-CG 3.93Å; I196-L222 HydrophobicContact CG1-CD2 3.74Å; I196-L222 HydrophobicContact CG1-CG 4.09Å; I196-L223 HydrophobicContact CG2-CB 4.12Å; I196-L223 HydrophobicContact CG2-CD1 3.74Å; I196-Y226 HydrophobicContact CD1-CD2 4.17Å; I196-Y226 HydrophobicContact CD1-CE2 3.67Å
197	L	91	Very high	84.7	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.4	178.8	-62.7	-179.5	0	0	0	110.8	I160 F168 L188 L191 V192 Y213 R214 I215	I160-L197 HydrophobicContact CD1-CD1 4.26Å; I160-L197 HydrophobicContact CD1-CD2 4.48Å; I160-L197 HydrophobicContact CG2-CD2 4.18Å; F168-L197 HydrophobicContact CZ-CD1 4.3Å; F168-L197 HydrophobicContact CZ-CD2 4.4Å; L188-L197 HydrophobicContact CD2-CD1 3.58Å; L191-L197 HydrophobicContact CB-CB 4.46Å; L191-L197 HydrophobicContact CB-CD1 3.67Å; L191-L197 HydrophobicContact CB-CG 3.86Å; L191-L197 HydrophobicContact CD1-CD1 3.8Å; L191-L197 HydrophobicContact CD1-CG 4.41Å; L191-L197 HydrophobicContact CG-CD1 4.39Å; L191-L197 PolarHBondContact O-N 3.38Å; V192-L197 WeakPolarHBondContact CA-O 3.39Å; V192-L197 HydrophobicContact CG2-CB 3.9Å; L197-Y213 HydrophobicContact CD1-CD1 4.38Å; L197-R214 CarbonylContact C-O 3.41Å; L197-R214 WeakPolarHBondContact CA-O 3.31Å; L197-I215 HydrophobicContact CD2-CB 4.2Å
198	F	87.1	Confident	84.1	Confident	98 Å²	98	73.1 Å²	73.1	43%	0.43	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	147.7	160.6	-177.9	-102.8	0	0	0	109.6	Y213 R214 Q216	F198-Y213 WeakPolarHBondContact O-CA 3.28Å; F198-R214 PolarHBondContact N-O 3.24Å; F198-R214 PolarHBondContact O-N 2.64Å; F198-Q216 HydrophobicContact CB-CG 3.92Å
199	T	90	Very high	83.6	Confident	47 Å²	47	76.3 Å²	76.3	29%	0.288	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.8	174.3	-169.5	0	0	0	0	111.9	V192 R212	V192-T199 HydrophobicContact CG1-CG2 4.29Å; V192-T199 HydrophobicContact CG2-CG2 4.46Å; T199-R212 VanDerWaalsContact CA-O 3.26Å; T199-R212 WeakPolarHBondContact CA-O 3.42Å; T199-R212 PolarHBondContact OG1-O 3.37Å; T199-R212 VanDerWaalsContact OG1-O 3.12Å
200	S	89.3	Confident	83.6	Confident	36 Å²	36	75.2 Å²	75.2	25%	0.252	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.7	173	64.5	0	0	0	0	110	Y211 R212	S200-Y211 WeakPolarHBondContact O-CA 3.31Å; S200-R212 PolarHBondContact N-O 3.38Å; S200-R212 PolarHBondContact O-N 3.05Å
201	I	87.4	Confident	83.7	Confident	73 Å²	73	79 Å²	79	37%	0.374	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.4	177.3	-56	176	0	0	0	108.1	Y203 P209 Y211	I201-Y203 HydrophobicContact CB-CE2 4.07Å; I201-Y203 HydrophobicContact CG2-CD2 4.18Å; I201-Y203 HydrophobicContact CG2-CE1 4.16Å; I201-Y203 HydrophobicContact CG2-CE2 3.62Å; I201-P209 HydrophobicContact CG2-CB 3.65Å; I201-Y211 HydrophobicContact CD1-CE1 3.86Å; I201-Y211 HydrophobicContact CG1-CD1 3.93Å; I201-Y211 HydrophobicContact CG1-CE1 3.7Å
202	H	84	Confident	83.9	Confident	113 Å²	113	82.1 Å²	82.1	52%	0.523	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.2	175.1	-165.4	-84.8	0	0	0	110.3	V210 R212	H202-V210 PolarHBondContact N-O 2.95Å; H202-V210 PolarHBondContact O-N 3.25Å; H202-R212 HydrophobicContact CB-CG 4.32Å
203	Y	83.9	Confident	84.3	Confident	166 Å²	166	80.7 Å²	80.7	65%	0.651	43%	0.429	S	S	*	.			trans	-94.1	105.6	174.6	-61.4	-89.7	0	0	0	108.5	I201 P209	I201-Y203 HydrophobicContact CB-CE2 4.07Å; I201-Y203 HydrophobicContact CG2-CD2 4.18Å; I201-Y203 HydrophobicContact CG2-CE1 4.16Å; I201-Y203 HydrophobicContact CG2-CE2 3.62Å; Y203-P209 HydrophobicContact CD1-CB 4.14Å; Y203-P209 HydrophobicContact CD1-CG 3.9Å; Y203-P209 HydrophobicContact CE1-CB 4.04Å; Y203-P209 HydrophobicContact CE1-CG 3.73Å
204	G	73.8	Confident	84.9	Confident	49 Å²	49	81.1 Å²	81.1	51%	0.505	42%	0.423	S	S	.	.			trans	-72.6	171.6	171.3	0	0	0	0	0	112.3	T206	G204-T206 VanDerWaalsContact C-N 3.3Å; G204-T206 PolarHBondContact O-N 3.38Å
205	V	71.7	Confident	85.4	Confident	158 Å²	158	80.9 Å²	80.9	96%	0.958	42%	0.421	S	S	*	.	S	Bend	trans	-61.9	-34.5	177.7	-114.6	0	0	0	0	112.9
206	T	73.5	Confident	85.5	Confident	133 Å²	133	76.9 Å²	76.9	82%	0.816	40%	0.403	S	S	*	.	S	Bend	trans	-146.5	136.1	173.5	52.9	0	0	0	0	109.8	G204	G204-T206 VanDerWaalsContact C-N 3.3Å; G204-T206 PolarHBondContact O-N 3.38Å
207	G	77.3	Confident	85.1	Confident	76 Å²	76	79.3 Å²	79.3	78%	0.784	42%	0.423	S	S	*	.	S	Bend	trans	127.5	-179.1	174.7	0	0	0	0	0	114.3
208	R	81	Confident	84.5	Confident	230 Å²	230	85.2 Å²	85.2	87%	0.868	45%	0.451	S	S	*	.	S	Bend	trans	-73.8	142.2	176.1	-65.4	-178.4	-179.5	179.9	0.2	109.6	V210	R208-V210 PolarHBondContact O-N 2.96Å
209	P	86	Confident	84.2	Confident	66 Å²	66	83.3 Å²	83.3	43%	0.429	44%	0.443	S	S	.	.			trans	-54.7	138.7	174.3	-23.1	32	0	0	0	111.5	I201 Y203	I201-P209 HydrophobicContact CG2-CB 3.65Å; Y203-P209 HydrophobicContact CD1-CB 4.14Å; Y203-P209 HydrophobicContact CD1-CG 3.9Å; Y203-P209 HydrophobicContact CE1-CB 4.04Å; Y203-P209 HydrophobicContact CE1-CG 3.73Å
210	V	88.5	Confident	83.5	Confident	57 Å²	57	83.6 Å²	83.6	35%	0.345	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.6	179.8	-178.9	0	0	0	0	108.7	H202 R208	H202-V210 PolarHBondContact N-O 2.95Å; H202-V210 PolarHBondContact O-N 3.25Å; R208-V210 PolarHBondContact O-N 2.96Å
211	Y	90.7	Very high	82.9	Confident	93 Å²	93	86.6 Å²	86.6	37%	0.365	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.7	170.7	-69.1	-92.3	0	0	0	108.9	S169 S200 I201	S169-Y211 WeakPolarHBondContact CA-O 2.99Å; S200-Y211 WeakPolarHBondContact O-CA 3.31Å; I201-Y211 HydrophobicContact CD1-CE1 3.86Å; I201-Y211 HydrophobicContact CG1-CD1 3.93Å; I201-Y211 HydrophobicContact CG1-CE1 3.7Å
212	R	93.7	Very high	82.4	Confident	64 Å²	64	84.6 Å²	84.6	24%	0.242	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146	170.8	-68.8	-81.2	-176.5	-179.8	-7.4	108.5	E167 F168 E172 T199 S200 H202	E167-R212 PolarHBondContact O-NH1 2.88Å; F168-R212 CarbonylContact O-C 2.91Å; F168-R212 WeakPolarHBondContact O-CA 3.39Å; E172-R212 IonicContact OE1-CZ 2.78Å; E172-R212 IonicContact OE1-NH1 3.99Å; E172-R212 PolarHBondContact OE1-NH1 3.13Å; E172-R212 VanDerWaalsContact OE1-NH1 3.12Å; E172-R212 IonicContact OE1-NH2 2.68Å; E172-R212 IonicContact OE2-NH1 3.12Å; E172-R212 PolarHBondContact OE2-NH1 2.59Å; E172-R212 VanDerWaalsContact OE2-NH1 3.11Å; T199-R212 VanDerWaalsContact CA-O 3.26Å; T199-R212 WeakPolarHBondContact CA-O 3.42Å; T199-R212 PolarHBondContact OG1-O 3.37Å; T199-R212 VanDerWaalsContact OG1-O 3.12Å; S200-R212 PolarHBondContact N-O 3.38Å; S200-R212 PolarHBondContact O-N 3.05Å; H202-R212 HydrophobicContact CB-CG 4.32Å
213	Y	95.1	Very high	82.3	Confident	8 Å²	8	79.2 Å²	79.2	3%	0.031	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.1	-177.8	-60	-88.4	0	0	0	108.9	E167 F168 T170 L188 V192 L197 F198	E167-Y213 WeakPolarHBondContact CA-O 3.35Å; F168-Y213 WeakPolarHBondContact CD1-O 3.28Å; F168-Y213 HydrophobicContact CE2-CD2 4.37Å; F168-Y213 HydrophobicContact CE2-CG 4.28Å; F168-Y213 PolarHBondContact N-O 2.83Å; F168-Y213 PolarHBondContact O-N 2.98Å; T170-Y213 WeakPolarHBondContact OG1-CE2 3.26Å; L188-Y213 HydrophobicContact CB-CD1 4.31Å; L188-Y213 HydrophobicContact CB-CE1 3.87Å; L188-Y213 HydrophobicContact CD1-CD2 3.89Å; L188-Y213 HydrophobicContact CD1-CE1 4.46Å; L188-Y213 HydrophobicContact CD1-CE2 3.67Å; L188-Y213 HydrophobicContact CD1-CG 4.39Å; L188-Y213 HydrophobicContact CD2-CG 4.45Å; V192-Y213 HydrophobicContact CG2-CD1 3.99Å; V192-Y213 HydrophobicContact CG2-CE1 3.97Å; L197-Y213 HydrophobicContact CD1-CD1 4.38Å; F198-Y213 WeakPolarHBondContact O-CA 3.28Å
214	R	92.8	Very high	82.1	Confident	106 Å²	106	76.2 Å²	76.2	40%	0.4	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.3	179.4	174.2	174.5	87.4	84.9	-8.1	108.9	E167 L197 F198	E167-R214 HydrophobicContact CG-CB 4.24Å; L197-R214 CarbonylContact C-O 3.41Å; L197-R214 WeakPolarHBondContact CA-O 3.31Å; F198-R214 PolarHBondContact N-O 3.24Å; F198-R214 PolarHBondContact O-N 2.64Å
215	I	89.6	Confident	82.5	Confident	3 Å²	3	79.7 Å²	79.7	2%	0.015	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.5	170.5	179.4	150.9	0	0	0	111.6	I160 Q164 L197 Y220 L223	I160-I215 HydrophobicContact CG2-CB 4.29Å; I160-I215 HydrophobicContact CG2-CD1 4.4Å; Q164-I215 HydrophobicContact CB-CG2 4.27Å; Q164-I215 VanDerWaalsContact O-CG2 3.25Å; Q164-I215 WeakPolarHBondContact O-CG2 3.46Å; L197-I215 HydrophobicContact CD2-CB 4.2Å; I215-Y220 HydrophobicContact CB-CE1 4.23Å; I215-Y220 HydrophobicContact CD1-CD1 3.36Å; I215-Y220 HydrophobicContact CD1-CE1 3.51Å; I215-Y220 HydrophobicContact CD1-CG 4.4Å; I215-Y220 HydrophobicContact CG1-CD1 3.85Å; I215-Y220 HydrophobicContact CG1-CE1 3.62Å; I215-Y220 HydrophobicContact CG2-CE1 3.57Å; I215-L223 HydrophobicContact CD1-CB 3.85Å; I215-L223 HydrophobicContact CD1-CD1 4.44Å; I215-L223 HydrophobicContact CD1-CD2 3.48Å; I215-L223 VanDerWaalsContact CD1-CD2 3.48Å; I215-L223 HydrophobicContact CD1-CG 4.09Å
216	Q	83	Confident	83.1	Confident	36 Å²	36	73.9 Å²	73.9	17%	0.168	38%	0.379	C	S	.	.			trans	-81.6	124.2	170.9	-70.4	-172.2	-104.3	0	0	109.6	H195 I196 F198 E218 H219	H195-Q216 PolarHBondContact O-OE1 3.24Å; I196-Q216 PolarHBondContact O-N 3.34Å; F198-Q216 HydrophobicContact CB-CG 3.92Å; Q216-E218 VanDerWaalsContact C-N 3.26Å; Q216-E218 HydrophobicContact CB-CG 4.3Å; Q216-E218 PolarHBondContact NE2-OE1 3.32Å; Q216-E218 PolarHBondContact O-N 2.93Å; Q216-H219 PolarHBondContact O-N 2.95Å
217	A	78.3	Confident	83.3	Confident	52 Å²	52	68.6 Å²	68.6	43%	0.43	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-64.5	-33.8	-169.7	0	0	0	0	0	112.6	H219 Y220	A217-H219 PolarHBondContact O-N 3.41Å; A217-H219 VanDerWaalsContact O-N 3.12Å; A217-Y220 HydrophobicContact CB-CD2 4.1Å; A217-Y220 HydrophobicContact CB-CE2 3.54Å; A217-Y220 WeakPolarHBondContact O-CD2 3.14Å; A217-Y220 PolarHBondContact O-N 3.5Å
218	E	77.7	Confident	83.3	Confident	126 Å²	126	73.9 Å²	73.9	59%	0.589	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-61.1	-16.1	173.9	58.9	-90.7	-156.9	0	0	113.8	Q216	Q216-E218 VanDerWaalsContact C-N 3.26Å; Q216-E218 HydrophobicContact CB-CG 4.3Å; Q216-E218 PolarHBondContact NE2-OE1 3.32Å; Q216-E218 PolarHBondContact O-N 2.93Å
219	H	80.3	Confident	83.4	Confident	57 Å²	57	66.1 Å²	66.1	26%	0.264	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-115	12.5	-176	-62.4	-59.2	0	0	0	114.2	H195 Q216 A217 S221 L222 L223	H195-H219 PolarHBondContact O-CD2 3.31Å; Q216-H219 PolarHBondContact O-N 2.95Å; A217-H219 PolarHBondContact O-N 3.41Å; A217-H219 VanDerWaalsContact O-N 3.12Å; H219-S221 VanDerWaalsContact C-N 3.33Å; H219-S221 PolarHBondContact O-N 3.01Å; H219-L222 WeakPolarHBondContact O-CB 3.35Å; H219-L222 PolarHBondContact O-N 3.26Å; H219-L223 PolarHBondContact O-N 3.34Å; H219-L223 VanDerWaalsContact O-N 3.08Å
220	Y	76.4	Confident	83.3	Confident	54 Å²	54	66.1 Å²	66.1	21%	0.212	32%	0.32	C	S	.	.	H	α-helix	trans	-54.4	-45.4	176.7	-79.7	-54.9	0	0	0	113.5	Q164 I215 A217 L222 L223 K224	Q164-Y220 HydrophobicContact CB-CE1 3.73Å; Q164-Y220 HydrophobicContact CG-CD1 4.32Å; Q164-Y220 HydrophobicContact CG-CE1 3.6Å; I215-Y220 HydrophobicContact CB-CE1 4.23Å; I215-Y220 HydrophobicContact CD1-CD1 3.36Å; I215-Y220 HydrophobicContact CD1-CE1 3.51Å; I215-Y220 HydrophobicContact CD1-CG 4.4Å; I215-Y220 HydrophobicContact CG1-CD1 3.85Å; I215-Y220 HydrophobicContact CG1-CE1 3.62Å; I215-Y220 HydrophobicContact CG2-CE1 3.57Å; A217-Y220 HydrophobicContact CB-CD2 4.1Å; A217-Y220 HydrophobicContact CB-CE2 3.54Å; A217-Y220 WeakPolarHBondContact O-CD2 3.14Å; A217-Y220 PolarHBondContact O-N 3.5Å; Y220-L222 PolarHBondContact O-N 3.47Å; Y220-L223 PolarHBondContact O-N 2.88Å; Y220-K224 PolarHBondContact O-N 2.94Å
221	S	76.9	Confident	83	Confident	98 Å²	98	66.6 Å²	66.6	69%	0.685	32%	0.319	S	S	*	.	H	α-helix	trans	-58.5	-32.9	178.6	-57.9	0	0	0	0	112	H219 Q225	H219-S221 VanDerWaalsContact C-N 3.33Å; H219-S221 PolarHBondContact O-N 3.01Å; S221-Q225 PolarHBondContact O-N 3.46Å
222	L	75.8	Confident	82.5	Confident	31 Å²	31	65 Å²	65	16%	0.162	32%	0.316	C	S	.	.	H	α-helix	trans	-76.3	-41.4	179.1	-173.6	60.7	0	0	0	111.5	R142 I196 H219 Y220 K224 Q225 Y226	R142-L222 HydrophobicContact CG-CD1 4.28Å; I196-L222 HydrophobicContact CD1-CD2 3.92Å; I196-L222 HydrophobicContact CD1-CG 3.93Å; I196-L222 HydrophobicContact CG1-CD2 3.74Å; I196-L222 HydrophobicContact CG1-CG 4.09Å; H219-L222 WeakPolarHBondContact O-CB 3.35Å; H219-L222 PolarHBondContact O-N 3.26Å; Y220-L222 PolarHBondContact O-N 3.47Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 3.4Å; L222-Q225 WeakPolarHBondContact O-CB 3.47Å; L222-Q225 PolarHBondContact O-N 3.36Å; L222-Y226 HydrophobicContact CD1-CE2 4.35Å; L222-Y226 HydrophobicContact CG-CE2 4.29Å; L222-Y226 VanDerWaalsContact O-CD2 3.26Å; L222-Y226 WeakPolarHBondContact O-CD2 3.18Å
223	L	83	Confident	81.8	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-56.8	-44	172.3	-173.8	82.5	0	0	0	111.1	C157 I160 D161 I196 I215 H219 Y220 Q225 Y226 C227	C157-L223 HydrophobicContact CB-CD1 3.96Å; C157-L223 HydrophobicContact CB-CG 4.31Å; I160-L223 HydrophobicContact CB-CD1 4.39Å; I160-L223 HydrophobicContact CB-CD2 4.1Å; I160-L223 HydrophobicContact CG2-CD1 4.18Å; I160-L223 HydrophobicContact CG2-CD2 3.79Å; D161-L223 HydrophobicContact CB-CD2 3.71Å; I196-L223 HydrophobicContact CG2-CB 4.12Å; I196-L223 HydrophobicContact CG2-CD1 3.74Å; I215-L223 HydrophobicContact CD1-CB 3.85Å; I215-L223 HydrophobicContact CD1-CD1 4.44Å; I215-L223 HydrophobicContact CD1-CD2 3.48Å; I215-L223 VanDerWaalsContact CD1-CD2 3.48Å; I215-L223 HydrophobicContact CD1-CG 4.09Å; H219-L223 PolarHBondContact O-N 3.34Å; H219-L223 VanDerWaalsContact O-N 3.08Å; Y220-L223 PolarHBondContact O-N 2.88Å; L223-Q225 PolarHBondContact O-N 3.38Å; L223-Y226 PolarHBondContact O-N 3.24Å; L223-C227 PolarHBondContact O-N 2.98Å; L223-C227 PolarHBondContact O-SG 3.33Å; L223-C227 VanDerWaalsContact O-SG 3.36Å
224	K	79.5	Confident	80.9	Confident	104 Å²	104	68.9 Å²	68.9	45%	0.452	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-28.8	-179.2	-76.8	-169.2	174.3	-175.3	0	113.8	D161 Y220 L222 Y226 C227	D161-K224 WeakPolarHBondContact OD1-CE 3.33Å; Y220-K224 PolarHBondContact O-N 2.94Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 3.4Å; K224-Y226 PolarHBondContact O-N 2.94Å; K224-C227 WeakPolarHBondContact O-CB 3.5Å; K224-C227 PolarHBondContact O-N 3.48Å; K224-C227 VanDerWaalsContact O-N 3.17Å
225	Q	81.7	Confident	80.1	Confident	121 Å²	121	66.2 Å²	66.2	57%	0.565	34%	0.336	S	S	*	.	H	α-helix	trans	-63.2	-32.7	174.5	-69.6	176	-2.4	0	0	112	S221 L222 L223	S221-Q225 PolarHBondContact O-N 3.46Å; L222-Q225 WeakPolarHBondContact O-CB 3.47Å; L222-Q225 PolarHBondContact O-N 3.36Å; L223-Q225 PolarHBondContact O-N 3.38Å
226	Y	84.1	Confident	79.3	Confident	37 Å²	37	71.1 Å²	71.1	15%	0.145	36%	0.361	C	S	.	.	H	α-helix	trans	-83.1	-11.6	176.4	-62.1	-67.1	0	0	0	114.3	R142 L153 R154 C157 W190 I196 L222 L223 K224 Q228	R142-Y226 WeakPolarHBondContact CA-OH 3.43Å; R142-Y226 WeakPolarHBondContact CB-OH 3.18Å; R142-Y226 VanDerWaalsContact CG-OH 3.29Å; R142-Y226 WeakPolarHBondContact CG-OH 3.46Å; R142-Y226 PolarHBondContact O-OH 3.22Å; R142-Y226 VanDerWaalsContact O-OH 3.09Å; L153-Y226 HydrophobicContact CD2-CD1 3.41Å; L153-Y226 VanDerWaalsContact CD2-CD1 3.41Å; L153-Y226 HydrophobicContact CD2-CE1 3.87Å; L153-Y226 HydrophobicContact CD2-CG 3.95Å; L153-Y226 HydrophobicContact CG-CD1 4.38Å; L153-Y226 HydrophobicContact CG-CG 4.5Å; R154-Y226 VanDerWaalsContact CA-O 3.3Å; R154-Y226 WeakPolarHBondContact CA-O 3.31Å; R154-Y226 WeakPolarHBondContact CB-O 3.42Å; R154-Y226 WeakPolarHBondContact CG-O 3.42Å; C157-Y226 VanDerWaalsContact SG-CB 3.54Å; W190-Y226 AromaticContact CH2-CE1 3.79Å; W190-Y226 HydrophobicContact CH2-CE1 3.79Å; W190-Y226 HydrophobicContact CH2-CE2 4.37Å; W190-Y226 AromaticContact CH2-CZ 3.65Å; W190-Y226 WeakPolarHBondContact CH2-OH 3.18Å; W190-Y226 HydrophobicContact CZ3-CE1 4.48Å; I196-Y226 HydrophobicContact CD1-CD2 4.17Å; I196-Y226 HydrophobicContact CD1-CE2 3.67Å; L222-Y226 HydrophobicContact CD1-CE2 4.35Å; L222-Y226 HydrophobicContact CG-CE2 4.29Å; L222-Y226 VanDerWaalsContact O-CD2 3.26Å; L222-Y226 WeakPolarHBondContact O-CD2 3.18Å; L223-Y226 PolarHBondContact O-N 3.24Å; K224-Y226 PolarHBondContact O-N 2.94Å; Y226-Q228 VanDerWaalsContact C-N 3.27Å
227	C	79	Confident	79	Confident	22 Å²	22	74 Å²	74	15%	0.149	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.7	176.1	-61.8	0	0	0	0	112.6	R154 C157 Q158 L223 K224	R154-C227 WeakPolarHBondContact CG-O 3.14Å; C157-C227 VanDerWaalsContact C-SG 3.57Å; Q158-C227 HydrophobicContact CG-CB 4.04Å; Q158-C227 PolarHBondContact NE2-O 3.33Å; L223-C227 PolarHBondContact O-N 2.98Å; L223-C227 PolarHBondContact O-SG 3.33Å; L223-C227 VanDerWaalsContact O-SG 3.36Å; K224-C227 WeakPolarHBondContact O-CB 3.5Å; K224-C227 PolarHBondContact O-N 3.48Å; K224-C227 VanDerWaalsContact O-N 3.17Å
228	Q	75.9	Confident	79.1	Confident	186 Å²	186	76 Å²	76	87%	0.869	37%	0.372	S	S	*	.			trans	-87.6	0	-177.1	-62	179.4	24.6	0	0	112.9	R154 Y226	R154-Q228 VanDerWaalsContact NE-C 3.26Å; R154-Q228 PolarHBondContact NE-O 2.74Å; R154-Q228 PolarHBondContact NE-OXT 3.01Å; R154-Q228 PolarHBondContact NH2-O 2.8Å; R154-Q228 PolarHBondContact NH2-OXT 3.35Å; R154-Q228 VanDerWaalsContact NH2-OXT 3.16Å; Y226-Q228 VanDerWaalsContact C-N 3.27Å

Retrieved 228 of 228 residues in 43.7 ms (Link to these results)

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